| Site | Residue | pLDDT | pLDDT confidence | pLDDT10 | pLDDT10 confidence | SASA | SASA [Ų] | SASA10 | SASA10 [Ų] | RSA | RSA unformatted | RSA10 | RSA10 unformatted | Surface | Surface10 (not used) | Disorder (not used) | Disorder | Sec. str. | Secondary structure | Isomer | Phi (φ) | Psi (ψ) | Omega (ω) | Chi 1 (χ1) | Chi 2 (χ2) | Chi 3 (χ3) | Chi 4 (χ4) | Chi 5 (χ5) | Tau (τ) | Contacts (colored by PAE) | Contact details |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| 1 | M | 29.8 | Very low | 29.5 | Very low | 201 Ų | 201 | 167 Ų | 167 | 99% | 0.99 | 85% | 0.845 | S | S | * | * | 0 | 110.9 | 0 | -74.1 | 135.6 | 170.9 | 0 | 0 | 107.3 | M4 | M1-M4 HydrophobicContact CE-SD 4.08Å; M1-M4 HydrophobicContact CG-CB 4.39Å | |||
| 2 | Q | 31.7 | Very low | 29.3 | Very low | 191 Ų | 191 | 165.4 Ų | 165.4 | 89% | 0.893 | 84% | 0.838 | S | S | * | * | cis | 57.7 | 107.7 | 19.2 | -137 | 171.2 | -2.2 | 0 | 0 | 109.5 | M4 | Q2-M4 PolarHBondContact O-N 3.17Š| ||
| 3 | R | 29.1 | Very low | 29.2 | Very low | 249 Ų | 249 | 161.5 Ų | 161.5 | 94% | 0.94 | 83% | 0.826 | S | S | * | * | S | Bend | trans | -44 | 125.1 | -152.8 | -76.2 | -177.4 | 173.9 | 173.2 | -3.6 | 113.8 | ||
| 4 | M | 26.3 | Very low | 29.2 | Very low | 148 Ų | 148 | 157.9 Ų | 157.9 | 73% | 0.729 | 82% | 0.815 | S | S | * | * | trans | -155.1 | 64 | 166.3 | -164.4 | 176.5 | -167.6 | 0 | 0 | 108.6 | M1 Q2 | M1-M4 HydrophobicContact CE-SD 4.08Å; M1-M4 HydrophobicContact CG-CB 4.39Å; Q2-M4 PolarHBondContact O-N 3.17Å | ||
| 5 | V | 34.4 | Very low | 28.9 | Very low | 130 Ų | 130 | 160.7 Ų | 160.7 | 79% | 0.788 | 82% | 0.82 | S | S | * | * | trans | -143.8 | 68.4 | 166.1 | -170.6 | 0 | 0 | 0 | 0 | 106.4 | ||||
| 6 | E | 32.1 | Very low | 29 | Very low | 183 Ų | 183 | 157.8 Ų | 157.8 | 86% | 0.855 | 81% | 0.812 | S | S | * | * | trans | -98.6 | 135.7 | 164 | -80 | 162.5 | 178.9 | 0 | 0 | 107.1 | ||||
| 7 | L | 29 | Very low | 29 | Very low | 149 Ų | 149 | 157.6 Ų | 157.6 | 78% | 0.78 | 81% | 0.813 | S | S | * | * | trans | -124 | 157.6 | -179.2 | -74.8 | 159.3 | 0 | 0 | 0 | 107.4 | ||||
| 8 | S | 27.5 | Very low | 29.3 | Very low | 114 Ų | 114 | 154.1 Ų | 154.1 | 80% | 0.797 | 80% | 0.795 | S | S | * | * | trans | 4.2 | 133.3 | 161.7 | 52.7 | 0 | 0 | 0 | 0 | 118.8 | ||||
| 9 | A | 28.5 | Very low | 30 | Very low | 88 Ų | 88 | 151.9 Ų | 151.9 | 73% | 0.727 | 79% | 0.79 | S | S | * | * | cis | -151.1 | 166.2 | 29.7 | 0 | 0 | 0 | 0 | 0 | 115.4 | ||||
| 10 | Q | 29 | Very low | 30.9 | Very low | 192 Ų | 192 | 152.6 Ų | 152.6 | 90% | 0.897 | 78% | 0.783 | S | S | * | * | trans | 38.1 | 97 | 158.3 | -72.2 | 172 | -32.2 | 0 | 0 | 119 | ||||
| 11 | Q | 27.5 | Very low | 32.3 | Very low | 192 Ų | 192 | 152.2 Ų | 152.2 | 90% | 0.897 | 78% | 0.778 | S | S | * | * | trans | -89.9 | 136.5 | 149.7 | -71.4 | -173.9 | -64.9 | 0 | 0 | 110 | ||||
| 12 | I | 26.9 | Very low | 34.1 | Very low | 148 Ų | 148 | 149 Ų | 149 | 76% | 0.759 | 76% | 0.758 | S | S | * | * | trans | -74.1 | 132.8 | 169.5 | -64.8 | 173.2 | 0 | 0 | 0 | 109.3 | V14 | I12-V14 HydrophobicContact CG2-CG2 4.35Š| ||
| 13 | V | 28.1 | Very low | 36.1 | Very low | 114 Ų | 114 | 140 Ų | 140 | 69% | 0.691 | 72% | 0.716 | S | S | * | * | trans | -94 | 101 | 178.1 | 179.2 | 0 | 0 | 0 | 0 | 109.9 | F15 | V13-F15 HydrophobicContact CG1-CE2 4.36Š| ||
| 14 | V | 28.4 | Very low | 38.5 | Very low | 111 Ų | 111 | 133.1 Ų | 133.1 | 67% | 0.673 | 69% | 0.693 | S | S | * | * | trans | -87.2 | 123.9 | 171.2 | -176.1 | 0 | 0 | 0 | 0 | 109.4 | I12 V16 | I12-V14 HydrophobicContact CG2-CG2 4.35Å; V14-V16 HydrophobicContact CB-CG2 4.46Å; V14-V16 HydrophobicContact CG1-CG2 3.84Å; V14-V16 PolarHBondContact O-N 3.04Å | ||
| 15 | F | 25.7 | Very low | 41.1 | Very low | 201 Ų | 201 | 127.2 Ų | 127.2 | 88% | 0.882 | 66% | 0.663 | S | S | * | * | trans | -79.7 | 96.5 | 171.5 | -72.8 | -87.2 | 0 | 0 | 0 | 110.1 | V13 | V13-F15 HydrophobicContact CG1-CE2 4.36Š| ||
| 16 | V | 29.6 | Very low | 43.3 | Very low | 114 Ų | 114 | 124.5 Ų | 124.5 | 69% | 0.691 | 65% | 0.647 | S | S | * | * | trans | -97.7 | 131 | 170.7 | -173.7 | 0 | 0 | 0 | 0 | 108.8 | V14 D18 | V14-V16 HydrophobicContact CB-CG2 4.46Å; V14-V16 HydrophobicContact CG1-CG2 3.84Å; V14-V16 PolarHBondContact O-N 3.04Å; V16-D18 PolarHBondContact O-N 2.9Å | ||
| 17 | D | 30.2 | Very low | 45.5 | Very low | 155 Ų | 155 | 117.4 Ų | 117.4 | 83% | 0.829 | 62% | 0.615 | S | S | * | * | trans | -66 | 126.9 | 169.1 | -87.2 | -40.9 | 0 | 0 | 0 | 109.8 | V19 | D17-V19 WeakPolarHBondContact O-CG2 3.43Å; D17-V19 PolarHBondContact O-N 3.32Å; D17-V19 VanDerWaalsContact O-N 3.1Å | ||
| 18 | D | 33.4 | Very low | 47.5 | Very low | 93 Ų | 93 | 118.8 Ų | 118.8 | 50% | 0.497 | 61% | 0.614 | S | S | . | * | trans | -58.3 | 107.8 | -169.1 | -174.3 | 4.9 | 0 | 0 | 0 | 113.3 | V16 Y20 | V16-D18 PolarHBondContact O-N 2.9Å; D18-Y20 HydrophobicContact CB-CE1 4.32Å; D18-Y20 PolarHBondContact O-N 2.96Å; D18-Y20 WeakPolarHBondContact OD2-CE1 3.27Å | ||
| 19 | V | 42.7 | Very low | 49.4 | Very low | 114 Ų | 114 | 114.6 Ų | 114.6 | 69% | 0.691 | 59% | 0.585 | S | S | * | * | trans | -90.1 | 96.3 | 174.9 | -174 | 0 | 0 | 0 | 0 | 109.3 | D17 E21 | D17-V19 WeakPolarHBondContact O-CG2 3.43Å; D17-V19 PolarHBondContact O-N 3.32Å; D17-V19 VanDerWaalsContact O-N 3.1Å; V19-E21 PolarHBondContact O-N 2.74Å; V19-E21 VanDerWaalsContact O-N 3.1Å | ||
| 20 | Y | 47.7 | Very low | 51.3 | Low | 165 Ų | 165 | 114.2 Ų | 114.2 | 65% | 0.647 | 57% | 0.573 | S | S | * | * | trans | -61 | 105.7 | -171.9 | -61.2 | -68.8 | 0 | 0 | 0 | 115.2 | D18 | D18-Y20 HydrophobicContact CB-CE1 4.32Å; D18-Y20 PolarHBondContact O-N 2.96Å; D18-Y20 WeakPolarHBondContact OD2-CE1 3.27Å | ||
| 21 | E | 61 | Low | 53.2 | Low | 145 Ų | 145 | 107.9 Ų | 107.9 | 68% | 0.678 | 55% | 0.548 | S | S | * | . | trans | -114.7 | 174.2 | 175.8 | -64.2 | -148.5 | 147.2 | 0 | 0 | 115.1 | V19 | V19-E21 PolarHBondContact O-N 2.74Å; V19-E21 VanDerWaalsContact O-N 3.1Å | ||
| 22 | K | 67 | Low | 55.9 | Low | 132 Ų | 132 | 99.8 Ų | 99.8 | 57% | 0.574 | 51% | 0.51 | S | S | * | . | trans | -91.5 | 149.6 | -167.6 | -65.1 | 174.4 | -176.2 | 168.9 | 0 | 113.6 | N113 | K22-N113 WeakPolarHBondContact CE-O 3.34Š| ||
| 23 | P | 74.9 | Confident | 58.6 | Low | 2 Ų | 2 | 94.5 Ų | 94.5 | 1% | 0.013 | 48% | 0.484 | C | S | . | . | trans | -71.8 | 150.3 | 172.2 | 29.8 | -34.4 | 0 | 0 | 0 | 112.7 | R52 A103 S116 | P23-R52 CarbonylContact C-O 3.57Å; P23-R52 VanDerWaalsContact CA-O 3.31Å; P23-R52 WeakPolarHBondContact CA-O 3.43Å; P23-A103 HydrophobicContact CB-CB 4.18Å; P23-A103 HydrophobicContact CG-CB 4.13Å; P23-S116 WeakPolarHBondContact O-CA 3.46Å; P23-S116 WeakPolarHBondContact O-CB 3.26Å | ||
| 24 | K | 79.4 | Confident | 61.2 | Low | 105 Ų | 105 | 89.5 Ų | 89.5 | 46% | 0.457 | 45% | 0.454 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -142.6 | 142.4 | -171.2 | -171.1 | 177.5 | 177.8 | -175.3 | 0 | 110.6 | A51 R52 E54 | K24-A51 CarbonylContact O-C 3.48Å; K24-A51 WeakPolarHBondContact O-CA 3.21Å; K24-A51 WeakPolarHBondContact O-CB 3.14Å; K24-R52 PolarHBondContact N-O 2.64Å; K24-R52 PolarHBondContact O-N 2.83Å; K24-E54 IonicContact NZ-OE1 3.95Å; K24-E54 PolarHBondContact NZ-OE1 2.97Å |
| 25 | F | 80.9 | Confident | 63.7 | Low | 24 Ų | 24 | 86.2 Ų | 86.2 | 11% | 0.105 | 43% | 0.434 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -80.2 | 134.2 | -176.5 | -75 | -77.1 | 0 | 0 | 0 | 113.2 | L49 E50 A51 Y64 V101 A103 S116 E117 A119 | F25-L49 HydrophobicContact CD1-CB 4.34Å; F25-L49 HydrophobicContact CD1-CD2 4.13Å; F25-L49 HydrophobicContact CE1-CB 3.98Å; F25-L49 HydrophobicContact CE1-CD1 4.24Å; F25-L49 HydrophobicContact CE1-CD2 4.19Å; F25-L49 HydrophobicContact CE1-CG 4.38Å; F25-E50 WeakPolarHBondContact CA-O 3.39Å; F25-A51 HydrophobicContact CD1-CB 3.86Å; F25-A51 HydrophobicContact CE1-CB 4.05Å; F25-A51 HydrophobicContact CG-CB 4.33Å; F25-Y64 HydrophobicContact CE1-CD1 4.22Å; F25-Y64 HydrophobicContact CE1-CE1 4.13Å; F25-V101 HydrophobicContact CZ-CG1 4.48Å; F25-A103 HydrophobicContact CZ-CB 4.35Å; F25-S116 WeakPolarHBondContact CE2-OG 3.2Å; F25-E117 HydrophobicContact CD2-CG 4.41Å; F25-E117 WeakPolarHBondContact CD2-OE1 3.29Å; F25-E117 WeakPolarHBondContact CE2-O 3.36Å; F25-E117 PolarHBondContact N-OE1 2.8Å; F25-A119 HydrophobicContact CD1-CB 4.13Å; F25-A119 HydrophobicContact CD2-CB 3.76Å; F25-A119 HydrophobicContact CE1-CB 4Å; F25-A119 HydrophobicContact CE2-CB 3.59Å; F25-A119 HydrophobicContact CG-CB 4.03Å; F25-A119 HydrophobicContact CZ-CB 3.72Å |
| 26 | V | 79.6 | Confident | 66.1 | Low | 73 Ų | 73 | 76.7 Ų | 76.7 | 44% | 0.442 | 39% | 0.392 | S | S | . | . | trans | -110.8 | -0.1 | -172.3 | -61.3 | 0 | 0 | 0 | 0 | 115.4 | E50 | V26-E50 HydrophobicContact CG2-CB 3.9Å; V26-E50 HydrophobicContact CG2-CG 3.81Å; V26-E50 PolarHBondContact N-O 3.48Å | ||
| 27 | N | 78.3 | Confident | 68.2 | Low | 35 Ų | 35 | 74.5 Ų | 74.5 | 19% | 0.187 | 38% | 0.38 | C | S | . | . | trans | -62.2 | 147.8 | 178 | -67 | 94.8 | 0 | 0 | 0 | 112.7 | F32 N48 L49 E50 | N27-F32 HydrophobicContact CB-CD1 4.01Å; N27-F32 HydrophobicContact CB-CE1 3.54Å; N27-F32 HydrophobicContact CB-CZ 4.16Å; N27-F32 WeakPolarHBondContact O-CE1 3.42Å; N27-N48 PolarHBondContact ND2-O 2.71Å; N27-L49 WeakPolarHBondContact OD1-CA 3.32Å; N27-E50 PolarHBondContact OD1-N 2.75Å | ||
| 28 | K | 70.8 | Confident | 70.3 | Confident | 177 Ų | 177 | 70.4 Ų | 70.4 | 77% | 0.77 | 36% | 0.358 | S | S | * | . | S | Bend | trans | -142 | 155.5 | 167.7 | -71.7 | -173.4 | 179.7 | 179.1 | 0 | 110 | ||
| 29 | P | 68.2 | Low | 72 | Confident | 26 Ų | 26 | 72 Ų | 72 | 17% | 0.169 | 36% | 0.363 | C | S | . | . | S | Bend | cis | -71.2 | 168.6 | -3.3 | 32.4 | -37.3 | 0 | 0 | 0 | 113.3 | F32 F133 V157 | P29-F32 WeakPolarHBondContact O-CD1 3.35Å; P29-F133 HydrophobicContact CB-CD1 4.1Å; P29-F133 HydrophobicContact CB-CE1 4.48Å; P29-F133 HydrophobicContact CB-CG 4.33Å; P29-V157 HydrophobicContact CG-CG2 4.28Å |
| 30 | V | 68 | Low | 73.9 | Confident | 81 Ų | 81 | 67.3 Ų | 67.3 | 49% | 0.491 | 33% | 0.334 | S | S | . | . | S | Bend | trans | -121.2 | 140.3 | 177.4 | -175.6 | 0 | 0 | 0 | 0 | 107.4 | F32 | V30-F32 HydrophobicContact CG2-CD1 4.42Å; V30-F32 HydrophobicContact CG2-CE1 3.81Å; V30-F32 HydrophobicContact CG2-CZ 4.44Å |
| 31 | P | 69.5 | Low | 75 | Confident | 58 Ų | 58 | 63.8 Ų | 63.8 | 38% | 0.377 | 33% | 0.331 | S | S | . | . | S | Bend | cis | -62.4 | 153.5 | -6.8 | 28.3 | -36.3 | 0 | 0 | 0 | 112.5 | L33 Q131 | P31-L33 HydrophobicContact CG-CD2 4.28Å; P31-L33 PolarHBondContact O-N 2.8Å; P31-Q131 PolarHBondContact O-NE2 2.78Å |
| 32 | F | 82.9 | Confident | 76 | Confident | 22 Ų | 22 | 61.1 Ų | 61.1 | 10% | 0.096 | 33% | 0.325 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -71.4 | 100.1 | -177.7 | -50.3 | -49 | 0 | 0 | 0 | 110.5 | N27 P29 V30 F47 L49 A119 V121 D122 | N27-F32 HydrophobicContact CB-CD1 4.01Å; N27-F32 HydrophobicContact CB-CE1 3.54Å; N27-F32 HydrophobicContact CB-CZ 4.16Å; N27-F32 WeakPolarHBondContact O-CE1 3.42Å; P29-F32 WeakPolarHBondContact O-CD1 3.35Å; V30-F32 HydrophobicContact CG2-CD1 4.42Å; V30-F32 HydrophobicContact CG2-CE1 3.81Å; V30-F32 HydrophobicContact CG2-CZ 4.44Å; F32-F47 HydrophobicContact CB-CE1 4.46Å; F32-F47 HydrophobicContact CB-CZ 4.08Å; F32-F47 HydrophobicContact CD1-CZ 4.44Å; F32-F47 HydrophobicContact CG-CZ 4.43Å; F32-L49 HydrophobicContact CD2-CD2 4.4Å; F32-L49 HydrophobicContact CE2-CD2 4.38Å; F32-A119 HydrophobicContact CD2-CB 4.15Å; F32-A119 HydrophobicContact CE2-CB 3.69Å; F32-V121 HydrophobicContact CB-CB 4.29Å; F32-V121 HydrophobicContact CB-CG1 4.26Å; F32-V121 HydrophobicContact CB-CG2 3.9Å; F32-V121 HydrophobicContact CD2-CG2 4.21Å; F32-V121 HydrophobicContact CG-CG2 4.42Å; F32-V121 CarbonylContact O-C 3.55Å; F32-V121 WeakPolarHBondContact O-CA 3.32Å; F32-D122 PolarHBondContact O-N 3.12Å |
| 33 | L | 83.9 | Confident | 76.5 | Confident | 38 Ų | 38 | 56.8 Ų | 56.8 | 20% | 0.199 | 32% | 0.318 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103 | 144.3 | 175.8 | -52.6 | -172 | 0 | 0 | 0 | 110.6 | P31 D122 Q131 F159 | P31-L33 HydrophobicContact CG-CD2 4.28Å; P31-L33 PolarHBondContact O-N 2.8Å; L33-D122 WeakPolarHBondContact CA-O 3.31Å; L33-D122 HydrophobicContact CD2-CB 3.81Å; L33-Q131 HydrophobicContact CD1-CB 4.46Å; L33-Q131 HydrophobicContact CD1-CG 4.34Å; L33-Q131 VanDerWaalsContact CD1-OE1 3.28Å; L33-Q131 VanDerWaalsContact CG-OE1 3.28Å; L33-F159 HydrophobicContact CB-CE1 3.93Å; L33-F159 HydrophobicContact CB-CZ 3.76Å; L33-F159 HydrophobicContact CD1-CZ 4.38Å |
| 34 | A | 83.4 | Confident | 76.9 | Confident | 8 Ų | 8 | 61 Ų | 61 | 7% | 0.066 | 34% | 0.336 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -142 | 175.2 | 172.1 | 0 | 0 | 0 | 0 | 0 | 111.6 | V46 F47 V121 D122 I123 M124 | A34-V46 HydrophobicContact CB-CG1 4.35Å; A34-F47 HydrophobicContact CB-CD2 4.06Å; A34-V121 HydrophobicContact CB-CG1 4.36Å; A34-D122 PolarHBondContact N-O 3.33Å; A34-I123 HydrophobicContact CB-CG1 4.21Å; A34-I123 HydrophobicContact CB-CG2 4.4Å; A34-M124 PolarHBondContact O-N 3.21Å |
| 35 | V | 80.8 | Confident | 77.1 | Confident | 42 Ų | 42 | 58.7 Ų | 58.7 | 26% | 0.255 | 33% | 0.331 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.1 | 148.7 | 169.5 | -69.9 | 0 | 0 | 0 | 0 | 110.8 | M124 R128 F159 | V35-M124 CarbonylContact C-O 3.56Å; V35-M124 WeakPolarHBondContact CA-O 3.32Å; V35-M124 HydrophobicContact CG1-CB 4.45Å; V35-R128 HydrophobicContact CG1-CB 4.03Å; V35-F159 HydrophobicContact CG1-CB 4.04Å; V35-F159 HydrophobicContact CG1-CD1 4.09Å; V35-F159 HydrophobicContact CG1-CG 4.34Å; V35-F159 HydrophobicContact CG2-CB 4.44Å |
| 36 | V | 75.4 | Confident | 77.2 | Confident | 1 Ų | 1 | 58.7 Ų | 58.7 | 1% | 0.006 | 33% | 0.332 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.2 | 133.8 | 174.8 | 64.1 | 0 | 0 | 0 | 0 | 110.5 | V40 V46 T86 Y91 I123 M124 G125 G126 | V36-V40 HydrophobicContact CG2-CG1 4.22Å; V36-V46 HydrophobicContact CB-CG1 4.3Å; V36-V46 HydrophobicContact CB-CG2 4.32Å; V36-V46 HydrophobicContact CG2-CG2 3.82Å; V36-T86 HydrophobicContact CG2-CG2 4.24Å; V36-Y91 HydrophobicContact CB-CD2 4.49Å; V36-Y91 HydrophobicContact CB-CG 4.41Å; V36-Y91 HydrophobicContact CG1-CD1 3.65Å; V36-Y91 HydrophobicContact CG1-CD2 4.07Å; V36-Y91 HydrophobicContact CG1-CE1 4.3Å; V36-Y91 HydrophobicContact CG1-CG 3.53Å; V36-Y91 HydrophobicContact CG2-CD1 4.39Å; V36-Y91 HydrophobicContact CG2-CD2 3.57Å; V36-Y91 HydrophobicContact CG2-CE2 3.71Å; V36-Y91 HydrophobicContact CG2-CG 3.96Å; V36-I123 HydrophobicContact CB-CG2 3.71Å; V36-I123 HydrophobicContact CG1-CG2 3.74Å; V36-M124 PolarHBondContact N-O 3.32Å; V36-G125 WeakPolarHBondContact O-CA 3.46Å; V36-G126 PolarHBondContact O-N 3.36Å; V36-G126 VanDerWaalsContact O-N 3.15Å |
| 37 | P | 73.7 | Confident | 77.6 | Confident | 68 Ų | 68 | 57.2 Ų | 57.2 | 44% | 0.442 | 32% | 0.32 | S | S | . | . | trans | -58.9 | 146.6 | 173.1 | -24.7 | 34.9 | 0 | 0 | 0 | 112.1 | E39 V40 | P37-E39 VanDerWaalsContact C-N 3.26Å; P37-E39 PolarHBondContact O-N 3.18Å; P37-V40 HydrophobicContact CB-CB 4.48Å | ||
| 38 | L | 75.8 | Confident | 78 | Confident | 70 Ų | 70 | 58.7 Ų | 58.7 | 37% | 0.366 | 33% | 0.328 | S | S | . | . | S | Bend | trans | -66.8 | -27.3 | -174.8 | -54.5 | -174.5 | 0 | 0 | 0 | 113 | R90 Y91 | L38-R90 CarbonylContact O-C 3.48Å; L38-R90 WeakPolarHBondContact O-CA 3.22Å; L38-R90 VanDerWaalsContact O-CG 3.24Å; L38-R90 WeakPolarHBondContact O-CG 3.44Å; L38-Y91 PolarHBondContact O-N 3.34Å |
| 39 | E | 68.7 | Low | 78.8 | Confident | 127 Ų | 127 | 50.2 Ų | 50.2 | 59% | 0.593 | 29% | 0.291 | S | S | * | . | B | Isolated β-bridge | trans | -132.5 | 123.4 | 175.4 | -77.5 | 171 | -161.3 | 0 | 0 | 108.3 | P37 R90 | P37-E39 VanDerWaalsContact C-N 3.26Å; P37-E39 PolarHBondContact O-N 3.18Å; E39-R90 HydrophobicContact CG-CG 3.8Å; E39-R90 IonicContact OE1-CZ 3.74Å; E39-R90 IonicContact OE1-NE 2.72Å; E39-R90 PolarHBondContact OE1-NE 2.97Å; E39-R90 IonicContact OE1-NH2 2.73Å; E39-R90 PolarHBondContact OE1-NH2 3.46Å |
| 40 | V | 81.6 | Confident | 79.6 | Confident | 14 Ų | 14 | 52.4 Ų | 52.4 | 9% | 0.085 | 30% | 0.299 | C | S | . | . | trans | -162.2 | 138.7 | -166.2 | 61.9 | 0 | 0 | 0 | 0 | 109.3 | V36 P37 F44 T86 P89 Y91 | V36-V40 HydrophobicContact CG2-CG1 4.22Å; P37-V40 HydrophobicContact CB-CB 4.48Å; V40-F44 HydrophobicContact CG2-CB 3.49Å; V40-F44 VanDerWaalsContact CG2-CB 3.49Å; V40-F44 HydrophobicContact CG2-CD1 3.54Å; V40-F44 HydrophobicContact CG2-CD2 3.77Å; V40-F44 HydrophobicContact CG2-CE1 4.17Å; V40-F44 HydrophobicContact CG2-CE2 4.36Å; V40-F44 HydrophobicContact CG2-CG 3.31Å; V40-T86 HydrophobicContact CG1-CG2 3.94Å; V40-T86 HydrophobicContact CG2-CG2 4.36Å; V40-P89 PolarHBondContact N-O 3.32Å; V40-P89 VanDerWaalsContact N-O 3.14Å; V40-P89 CarbonylContact O-C 3.54Å; V40-P89 VanDerWaalsContact O-C 3.28Å; V40-P89 WeakPolarHBondContact O-CA 3.36Å; V40-Y91 HydrophobicContact CG1-CD2 3.61Å; V40-Y91 HydrophobicContact CG1-CE2 3.51Å | ||
| 41 | P | 70.9 | Confident | 80.1 | Confident | 91 Ų | 91 | 48.9 Ų | 48.9 | 59% | 0.591 | 28% | 0.279 | S | S | * | . | trans | -63.9 | 151.1 | 178.7 | 25.5 | -34 | 0 | 0 | 0 | 112.1 | F44 T86 | P41-F44 HydrophobicContact CG-CB 4.44Å; P41-F44 WeakPolarHBondContact O-CB 3Å; P41-F44 PolarHBondContact O-N 3.36Å; P41-T86 PolarHBondContact O-OG1 3.13Å | ||
| 42 | V | 81.6 | Confident | 80.3 | Confident | 90 Ų | 90 | 53.4 Ų | 53.4 | 55% | 0.545 | 29% | 0.288 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -64.1 | 134.7 | 169.2 | 176.2 | 0 | 0 | 0 | 0 | 109.2 | T86 P89 | V42-T86 WeakPolarHBondContact CA-OG1 3.19Å; V42-P89 HydrophobicContact CG2-CB 4.15Å |
| 43 | G | 78 | Confident | 79.4 | Confident | 40 Ų | 40 | 54 Ų | 54 | 41% | 0.412 | 30% | 0.295 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 95.1 | -5.3 | -175.2 | 0 | 0 | 0 | 0 | 0 | 115.1 | T45 T86 | G43-T45 PolarHBondContact O-N 3.31Å; G43-T86 PolarHBondContact N-O 3.34Å; G43-T86 PolarHBondContact N-OG1 2.61Å; G43-T86 VanDerWaalsContact N-OG1 3.07Å |
| 44 | F | 82.7 | Confident | 78.3 | Confident | 91 Ų | 91 | 59.1 Ų | 59.1 | 40% | 0.399 | 32% | 0.318 | S | S | . | . | trans | -63.7 | 130.5 | 174.8 | 177.5 | -88.7 | 0 | 0 | 0 | 110.8 | V40 P41 V46 K85 T86 | V40-F44 HydrophobicContact CG2-CB 3.49Å; V40-F44 VanDerWaalsContact CG2-CB 3.49Å; V40-F44 HydrophobicContact CG2-CD1 3.54Å; V40-F44 HydrophobicContact CG2-CD2 3.77Å; V40-F44 HydrophobicContact CG2-CE1 4.17Å; V40-F44 HydrophobicContact CG2-CE2 4.36Å; V40-F44 HydrophobicContact CG2-CG 3.31Å; P41-F44 HydrophobicContact CG-CB 4.44Å; P41-F44 WeakPolarHBondContact O-CB 3Å; P41-F44 PolarHBondContact O-N 3.36Å; F44-V46 HydrophobicContact CD1-CG2 3.75Å; F44-V46 HydrophobicContact CE1-CG2 4.01Å; F44-K85 CarbonylContact O-C 3.58Å; F44-K85 VanDerWaalsContact O-CA 3.23Å; F44-K85 WeakPolarHBondContact O-CA 3.14Å; F44-T86 HydrophobicContact CB-CG2 4.06Å; F44-T86 HydrophobicContact CD1-CG2 4.19Å; F44-T86 PolarHBondContact N-OG1 2.76Å; F44-T86 PolarHBondContact O-N 3.16Å; F44-T86 PolarHBondContact O-OG1 2.9Å | ||
| 45 | T | 85.1 | Confident | 76.8 | Confident | 56 Ų | 56 | 62.4 Ų | 62.4 | 34% | 0.344 | 35% | 0.352 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -81.7 | 124.4 | -180 | -56.1 | 0 | 0 | 0 | 0 | 110.3 | G43 R83 I84 | G43-T45 PolarHBondContact O-N 3.31Å; T45-R83 HydrophobicContact CG2-CB 3.96Å; T45-R83 HydrophobicContact CG2-CG 4Å; T45-I84 CarbonylContact C-O 3.56Å; T45-I84 WeakPolarHBondContact CA-O 3.32Å |
| 46 | V | 83.3 | Confident | 75.3 | Confident | 24 Ų | 24 | 63.9 Ų | 63.9 | 15% | 0.145 | 38% | 0.376 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103 | -30.9 | -179.1 | 176.1 | 0 | 0 | 0 | 0 | 112.4 | A34 V36 F44 F75 I84 T86 I123 | A34-V46 HydrophobicContact CB-CG1 4.35Å; V36-V46 HydrophobicContact CB-CG1 4.3Å; V36-V46 HydrophobicContact CB-CG2 4.32Å; V36-V46 HydrophobicContact CG2-CG2 3.82Å; F44-V46 HydrophobicContact CD1-CG2 3.75Å; F44-V46 HydrophobicContact CE1-CG2 4.01Å; V46-F75 HydrophobicContact CB-CE1 4.26Å; V46-F75 HydrophobicContact CG2-CE1 3.91Å; V46-I84 PolarHBondContact N-O 2.95Å; V46-T86 HydrophobicContact CG2-CG2 3.71Å; V46-I123 HydrophobicContact CG1-CD1 4.12Å; V46-I123 HydrophobicContact CG1-CG1 4.48Å; V46-I123 HydrophobicContact CG1-CG2 3.71Å |
| 47 | F | 87.7 | Confident | 73.7 | Confident | 43 Ų | 43 | 71.1 Ų | 71.1 | 19% | 0.189 | 42% | 0.415 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -152.2 | 155.5 | 179.2 | -160.8 | -95.5 | 0 | 0 | 0 | 109.7 | F32 A34 L49 I84 V121 | F32-F47 HydrophobicContact CB-CE1 4.46Å; F32-F47 HydrophobicContact CB-CZ 4.08Å; F32-F47 HydrophobicContact CD1-CZ 4.44Å; F32-F47 HydrophobicContact CG-CZ 4.43Å; A34-F47 HydrophobicContact CB-CD2 4.06Å; F47-L49 HydrophobicContact CD1-CD2 4.26Å; F47-L49 HydrophobicContact CD1-CG 4.17Å; F47-L49 HydrophobicContact CE1-CD2 3.86Å; F47-L49 HydrophobicContact CE1-CG 4.26Å; F47-I84 HydrophobicContact CB-CB 4.22Å; F47-I84 HydrophobicContact CB-CD1 4.11Å; F47-I84 HydrophobicContact CB-CG1 4.32Å; F47-I84 HydrophobicContact CD1-CD1 4.25Å; F47-I84 PolarHBondContact O-N 3.08Å; F47-V121 HydrophobicContact CB-CG1 4.26Å; F47-V121 HydrophobicContact CD1-CG1 4.12Å; F47-V121 HydrophobicContact CD1-CG2 3.92Å; F47-V121 HydrophobicContact CD2-CG1 4.1Å; F47-V121 HydrophobicContact CE1-CG1 4.49Å; F47-V121 HydrophobicContact CE1-CG2 4.05Å; F47-V121 HydrophobicContact CE2-CG1 4.47Å; F47-V121 HydrophobicContact CG-CG1 3.91Å |
| 48 | N | 86.8 | Confident | 72.2 | Confident | 65 Ų | 65 | 69.9 Ų | 69.9 | 35% | 0.348 | 41% | 0.414 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.8 | 110.5 | 178 | -167.4 | 104.3 | 0 | 0 | 0 | 109 | N27 T81 R83 | N27-N48 PolarHBondContact ND2-O 2.71Å; N48-T81 PolarHBondContact OD1-O 3.1Å; N48-R83 WeakPolarHBondContact OD1-CG 3.36Å; N48-R83 PolarHBondContact OD1-NE 3.29Å |
| 49 | L | 87.1 | Confident | 71.2 | Confident | 0 Ų | 0 | 71.6 Ų | 71.6 | 0% | 0 | 43% | 0.429 | C | S | . | . | trans | -81.3 | 143 | 173.8 | -73.4 | 165.6 | 0 | 0 | 0 | 110.7 | F25 N27 F32 F47 Y64 G82 I84 V101 A119 V121 | F25-L49 HydrophobicContact CD1-CB 4.34Å; F25-L49 HydrophobicContact CD1-CD2 4.13Å; F25-L49 HydrophobicContact CE1-CB 3.98Å; F25-L49 HydrophobicContact CE1-CD1 4.24Å; F25-L49 HydrophobicContact CE1-CD2 4.19Å; F25-L49 HydrophobicContact CE1-CG 4.38Å; N27-L49 WeakPolarHBondContact OD1-CA 3.32Å; F32-L49 HydrophobicContact CD2-CD2 4.4Å; F32-L49 HydrophobicContact CE2-CD2 4.38Å; F47-L49 HydrophobicContact CD1-CD2 4.26Å; F47-L49 HydrophobicContact CD1-CG 4.17Å; F47-L49 HydrophobicContact CE1-CD2 3.86Å; F47-L49 HydrophobicContact CE1-CG 4.26Å; L49-Y64 HydrophobicContact CB-CD1 4.47Å; L49-Y64 HydrophobicContact CB-CE1 4.41Å; L49-G82 PolarHBondContact N-O 3.09Å; L49-I84 HydrophobicContact CD1-CD1 3.98Å; L49-I84 HydrophobicContact CD1-CG1 4.41Å; L49-I84 HydrophobicContact CG-CD1 4.31Å; L49-V101 HydrophobicContact CD1-CB 3.49Å; L49-V101 VanDerWaalsContact CD1-CB 3.49Å; L49-V101 HydrophobicContact CD1-CG1 3.8Å; L49-V101 HydrophobicContact CD1-CG2 3.48Å; L49-V101 VanDerWaalsContact CD1-CG2 3.48Å; L49-A119 HydrophobicContact CD1-CB 4.12Å; L49-A119 HydrophobicContact CD2-CB 3.81Å; L49-V121 HydrophobicContact CD1-CG2 4.42Å; L49-V121 HydrophobicContact CD2-CG2 4.12Å; L49-V121 HydrophobicContact CG-CG2 4.44Å | ||
| 50 | E | 84.3 | Confident | 70.5 | Confident | 72 Ų | 72 | 71.7 Ų | 71.7 | 34% | 0.336 | 44% | 0.441 | S | S | . | . | trans | -131.5 | 131.1 | 174.4 | -171.3 | 178 | 153.7 | 0 | 0 | 109.4 | F25 V26 N27 R52 | F25-E50 WeakPolarHBondContact CA-O 3.39Å; V26-E50 HydrophobicContact CG2-CB 3.9Å; V26-E50 HydrophobicContact CG2-CG 3.81Å; V26-E50 PolarHBondContact N-O 3.48Å; N27-E50 PolarHBondContact OD1-N 2.75Å; E50-R52 IonicContact OE1-CZ 2.72Å; E50-R52 IonicContact OE1-NE 3.74Å; E50-R52 PolarHBondContact OE1-NE 2.82Å; E50-R52 IonicContact OE1-NH2 3.32Å; E50-R52 PolarHBondContact OE1-NH2 3.04Å | ||
| 51 | A | 80 | Confident | 69.7 | Low | 7 Ų | 7 | 72 Ų | 72 | 6% | 0.058 | 44% | 0.443 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.9 | 144.6 | 175.4 | 0 | 0 | 0 | 0 | 0 | 110 | K24 F25 Y64 A103 | K24-A51 CarbonylContact O-C 3.48Å; K24-A51 WeakPolarHBondContact O-CA 3.21Å; K24-A51 WeakPolarHBondContact O-CB 3.14Å; F25-A51 HydrophobicContact CD1-CB 3.86Å; F25-A51 HydrophobicContact CE1-CB 4.05Å; F25-A51 HydrophobicContact CG-CB 4.33Å; A51-Y64 HydrophobicContact CB-CE1 4.01Å; A51-Y64 PolarHBondContact N-OH 2.95Å; A51-A103 HydrophobicContact CB-CB 3.73Å |
| 52 | R | 73.4 | Confident | 69.9 | Low | 153 Ų | 153 | 68.3 Ų | 68.3 | 58% | 0.577 | 42% | 0.419 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -135.8 | 155.4 | -177.5 | -61.4 | -172.9 | -179.2 | -154 | 1.8 | 110.9 | P23 K24 E50 | P23-R52 CarbonylContact C-O 3.57Å; P23-R52 VanDerWaalsContact CA-O 3.31Å; P23-R52 WeakPolarHBondContact CA-O 3.43Å; K24-R52 PolarHBondContact N-O 2.64Å; K24-R52 PolarHBondContact O-N 2.83Å; E50-R52 IonicContact OE1-CZ 2.72Å; E50-R52 IonicContact OE1-NE 3.74Å; E50-R52 PolarHBondContact OE1-NE 2.82Å; E50-R52 IonicContact OE1-NH2 3.32Å; E50-R52 PolarHBondContact OE1-NH2 3.04Å |
| 53 | C | 64.3 | Low | 69.8 | Low | 35 Ų | 35 | 65.3 Ų | 65.3 | 24% | 0.236 | 40% | 0.399 | C | S | . | . | trans | -89.8 | 148.1 | 158 | -60.8 | 0 | 0 | 0 | 0 | 108.1 | G55 | C53-G55 VanDerWaalsContact C-N 3.3Å; C53-G55 PolarHBondContact O-N 2.9Å | ||
| 54 | E | 60.6 | Low | 70.2 | Confident | 145 Ų | 145 | 64.4 Ų | 64.4 | 68% | 0.678 | 38% | 0.384 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -74.2 | -17.8 | -172.3 | -76.3 | 172.8 | 178.9 | 0 | 0 | 113.3 | K24 G56 | K24-E54 IonicContact NZ-OE1 3.95Å; K24-E54 PolarHBondContact NZ-OE1 2.97Å; E54-G56 PolarHBondContact O-N 2.91Å |
| 55 | G | 51.5 | Low | 70.2 | Confident | 77 Ų | 77 | 63.3 Ų | 63.3 | 79% | 0.794 | 38% | 0.379 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -72.4 | 19.1 | 174.7 | 0 | 0 | 0 | 0 | 0 | 117.3 | C53 D57 | C53-G55 VanDerWaalsContact C-N 3.3Å; C53-G55 PolarHBondContact O-N 2.9Å; G55-D57 PolarHBondContact O-N 2.92Å |
| 56 | G | 48.3 | Very low | 70.2 | Confident | 72 Ų | 72 | 64.1 Ų | 64.1 | 74% | 0.742 | 38% | 0.378 | S | S | * | . | trans | 73.9 | -25.9 | 166.1 | 0 | 0 | 0 | 0 | 0 | 118.8 | E54 | E54-G56 PolarHBondContact O-N 2.91Š| ||
| 57 | D | 43.2 | Very low | 69.9 | Low | 154 Ų | 154 | 66.8 Ų | 66.8 | 82% | 0.824 | 39% | 0.391 | S | S | * | . | trans | -72.5 | 150.2 | -169.8 | -143.7 | -7.9 | 0 | 0 | 0 | 114.3 | G55 | G55-D57 PolarHBondContact O-N 2.92Š| ||
| 58 | G | 42.4 | Very low | 69.2 | Low | 41 Ų | 41 | 66.6 Ų | 66.6 | 42% | 0.423 | 40% | 0.395 | S | S | . | . | trans | -73.8 | 173.5 | -163.9 | 0 | 0 | 0 | 0 | 0 | 116.3 | P60 | G58-P60 WeakPolarHBondContact O-CD 3.23Š| ||
| 59 | P | 54.6 | Low | 69 | Low | 106 Ų | 106 | 63.8 Ų | 63.8 | 69% | 0.688 | 38% | 0.38 | S | S | * | . | S | Bend | trans | -100.5 | 44.7 | -162.8 | 41.1 | -39.1 | 0 | 0 | 0 | 118.3 | S61 | P59-S61 PolarHBondContact O-N 2.93Š|
| 60 | P | 53.6 | Low | 68.6 | Low | 129 Ų | 129 | 68.9 Ų | 68.9 | 84% | 0.838 | 40% | 0.404 | S | S | * | . | S | Bend | trans | -63.5 | -16.3 | 164.5 | -23.1 | 35.3 | 0 | 0 | 0 | 114.9 | G58 | G58-P60 WeakPolarHBondContact O-CD 3.23Š|
| 61 | S | 63.5 | Low | 68.3 | Low | 20 Ų | 20 | 67.6 Ų | 67.6 | 14% | 0.14 | 40% | 0.402 | C | S | . | . | S | Bend | trans | -117.3 | -11.7 | -170.7 | 72 | 0 | 0 | 0 | 0 | 116.9 | P59 D105 S106 | P59-S61 PolarHBondContact O-N 2.93Å; S61-D105 WeakPolarHBondContact CB-OD1 3.39Å; S61-D105 PolarHBondContact OG-OD1 2.62Å; S61-S106 WeakPolarHBondContact CA-OG 3.3Å; S61-S106 WeakPolarHBondContact O-CB 3.42Å; S61-S106 PolarHBondContact O-N 2.96Å; S61-S106 PolarHBondContact O-OG 2.9Å |
| 62 | V | 75.4 | Confident | 68.1 | Low | 15 Ų | 15 | 70.8 Ų | 70.8 | 9% | 0.091 | 43% | 0.429 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.3 | 122 | -178.1 | -178.8 | 0 | 0 | 0 | 0 | 111.2 | A103 F104 | V62-A103 HydrophobicContact CG1-CB 4.18Å; V62-F104 CarbonylContact C-O 3.59Å; V62-F104 WeakPolarHBondContact CA-O 3.3Å |
| 63 | E | 79.8 | Confident | 68.1 | Low | 27 Ų | 27 | 69.9 Ų | 69.9 | 13% | 0.126 | 44% | 0.435 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.5 | 122.2 | -178.2 | -58.8 | -148.6 | 125.3 | 0 | 0 | 113.7 | H65 R79 F80 F104 | E63-H65 PolarHBondContact O-N 2.95Å; E63-H65 PolarHBondContact O-ND1 2.88Å; E63-H65 IonicContact OE2-CE1 2.67Å; E63-R79 CarbonylContact C-O 3.51Å; E63-R79 WeakPolarHBondContact CA-O 3.28Å; E63-R79 IonicContact OE1-CZ 3.48Å; E63-R79 IonicContact OE1-NE 3.35Å; E63-R79 PolarHBondContact OE1-NE 3.22Å; E63-R79 IonicContact OE1-NH2 3.49Å; E63-R79 PolarHBondContact OE1-NH2 3.19Å; E63-R79 IonicContact OE2-NE 2.82Å; E63-R79 IonicContact OE2-NH2 2.71Å; E63-F80 VanDerWaalsContact OE1-CE1 3.23Å; E63-F80 WeakPolarHBondContact OE1-CE1 3.38Å; E63-F104 PolarHBondContact N-O 2.78Å; E63-F104 PolarHBondContact O-N 3.47Å; E63-F104 VanDerWaalsContact O-N 3.11Å |
| 64 | Y | 86.8 | Confident | 69.1 | Low | 21 Ų | 21 | 68.7 Ų | 68.7 | 8% | 0.082 | 43% | 0.427 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -81.4 | 98.3 | 177.2 | -61.8 | -89.4 | 0 | 0 | 0 | 111.2 | F25 L49 A51 F66 R79 | F25-Y64 HydrophobicContact CE1-CD1 4.22Å; F25-Y64 HydrophobicContact CE1-CE1 4.13Å; L49-Y64 HydrophobicContact CB-CD1 4.47Å; L49-Y64 HydrophobicContact CB-CE1 4.41Å; A51-Y64 HydrophobicContact CB-CE1 4.01Å; A51-Y64 PolarHBondContact N-OH 2.95Å; Y64-F66 PolarHBondContact O-N 2.82Å; Y64-R79 PolarHBondContact N-O 3Å; Y64-R79 WeakPolarHBondContact O-CA 3.26Å |
| 65 | H | 81.7 | Confident | 70.5 | Confident | 67 Ų | 67 | 61.8 Ų | 61.8 | 31% | 0.31 | 40% | 0.395 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -79.6 | 111.4 | 177 | -73.3 | 66.1 | 0 | 0 | 0 | 110.9 | E63 I67 V101 Q102 F104 | E63-H65 PolarHBondContact O-N 2.95Å; E63-H65 PolarHBondContact O-ND1 2.88Å; E63-H65 IonicContact OE2-CE1 2.67Å; H65-I67 PolarHBondContact O-N 2.85Å; H65-V101 WeakPolarHBondContact O-CA 3.18Å; H65-V101 WeakPolarHBondContact O-CG1 3.35Å; H65-Q102 WeakPolarHBondContact CA-O 3.39Å; H65-Q102 WeakPolarHBondContact CB-O 3.4Å; H65-Q102 PolarHBondContact N-O 3.12Å; H65-Q102 PolarHBondContact O-N 3.24Å; H65-F104 AromaticContact CE1-CD1 3.82Å |
| 66 | F | 86 | Confident | 72.1 | Confident | 73 Ų | 73 | 61.3 Ų | 61.3 | 32% | 0.32 | 38% | 0.376 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -68.3 | 113.2 | 167.3 | 178.4 | -131.6 | 0 | 0 | 0 | 109.7 | Y64 S68 F75 V77 V99 | Y64-F66 PolarHBondContact O-N 2.82Å; F66-S68 WeakPolarHBondContact CE2-O 3.34Å; F66-F75 WeakPolarHBondContact CZ-O 3.2Å; F66-V77 HydrophobicContact CB-CB 4.06Å; F66-V77 HydrophobicContact CB-CG2 4.19Å; F66-V77 HydrophobicContact CD2-CB 4.37Å; F66-V77 HydrophobicContact CD2-CG2 3.59Å; F66-V77 HydrophobicContact CE2-CG2 4.25Å; F66-V77 HydrophobicContact CG-CB 4.45Å; F66-V77 HydrophobicContact CG-CG2 4.14Å; F66-V99 HydrophobicContact CD2-CG1 4.3Å; F66-V99 HydrophobicContact CE2-CG1 4.04Å |
| 67 | I | 78 | Confident | 74 | Confident | 81 Ų | 81 | 58.9 Ų | 58.9 | 42% | 0.415 | 35% | 0.347 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.1 | -54.4 | 177.4 | -64.4 | 163.3 | 0 | 0 | 0 | 109.5 | H65 F100 Q102 I118 | H65-I67 PolarHBondContact O-N 2.85Å; I67-F100 HydrophobicContact CB-CB 4.06Å; I67-F100 HydrophobicContact CG2-CB 4.44Å; I67-F100 PolarHBondContact N-O 2.83Å; I67-Q102 HydrophobicContact CD1-CB 3.78Å; I67-Q102 HydrophobicContact CG1-CB 4.41Å; I67-I118 HydrophobicContact CD1-CB 4.33Å; I67-I118 HydrophobicContact CD1-CD1 3.79Å; I67-I118 HydrophobicContact CD1-CG1 3.68Å; I67-I118 HydrophobicContact CD1-CG2 3.78Å |
| 68 | S | 72.2 | Confident | 75.8 | Confident | 39 Ų | 39 | 53.6 Ų | 53.6 | 27% | 0.273 | 32% | 0.319 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -163.9 | 162.7 | -179.4 | 66.7 | 0 | 0 | 0 | 0 | 111.9 | F66 F100 | F66-S68 WeakPolarHBondContact CE2-O 3.34Å; S68-F100 PolarHBondContact N-O 2.89Å; S68-F100 PolarHBondContact O-N 3.28Å; S68-F100 WeakPolarHBondContact OG-CD2 3.19Å |
| 69 | S | 83 | Confident | 77.8 | Confident | 5 Ų | 5 | 58.1 Ų | 58.1 | 4% | 0.035 | 32% | 0.323 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.8 | 152.5 | 153.3 | 68.3 | 0 | 0 | 0 | 0 | 109 | P71 A72 N73 T74 R98 | S69-P71 VanDerWaalsContact C-C 3.45Å; S69-P71 CarbonylContact C-O 3.58Å; S69-P71 WeakPolarHBondContact CB-O 3.47Å; S69-P71 CarbonylContact O-C 3.56Å; S69-P71 VanDerWaalsContact O-O 3.09Å; S69-P71 PolarHBondContact OG-O 3.22Å; S69-A72 WeakPolarHBondContact O-CA 3.19Å; S69-A72 PolarHBondContact O-N 3.08Å; S69-N73 PolarHBondContact OG-N 3.17Å; S69-T74 PolarHBondContact OG-N 2.89Å; S69-T74 VanDerWaalsContact OG-N 3.14Å; S69-T74 PolarHBondContact OG-OG1 2.6Å; S69-R98 CarbonylContact C-O 3.58Å; S69-R98 WeakPolarHBondContact CA-O 3.3Å |
| 70 | E | 78.7 | Confident | 78.9 | Confident | 107 Ų | 107 | 59.1 Ų | 59.1 | 50% | 0.5 | 32% | 0.317 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.5 | 109.1 | 172.5 | -68.5 | -170.8 | 144.2 | 0 | 0 | 109.6 | Y97 R98 F100 | E70-Y97 CarbonylContact O-C 3.54Å; E70-Y97 VanDerWaalsContact O-CA 3.27Å; E70-Y97 WeakPolarHBondContact O-CA 3.44Å; E70-R98 HydrophobicContact CB-CB 4.32Å; E70-R98 PolarHBondContact N-O 3Å; E70-R98 PolarHBondContact O-N 2.82Å; E70-F100 HydrophobicContact CB-CE2 4.41Å; E70-F100 HydrophobicContact CG-CE2 3.82Å |
| 71 | P | 77.6 | Confident | 80.3 | Confident | 46 Ų | 46 | 55.8 Ų | 55.8 | 30% | 0.299 | 29% | 0.294 | S | S | . | . | S | Bend | cis | -64 | 158.3 | -2.6 | -19.3 | 32.6 | 0 | 0 | 0 | 114 | S69 T74 R95 | S69-P71 VanDerWaalsContact C-C 3.45Å; S69-P71 CarbonylContact C-O 3.58Å; S69-P71 WeakPolarHBondContact CB-O 3.47Å; S69-P71 CarbonylContact O-C 3.56Å; S69-P71 VanDerWaalsContact O-O 3.09Å; S69-P71 PolarHBondContact OG-O 3.22Å; P71-T74 HydrophobicContact CB-CG2 3.82Å; P71-T74 HydrophobicContact CG-CG2 4.24Å; P71-T74 WeakPolarHBondContact O-CB 3.43Å; P71-T74 WeakPolarHBondContact O-CG2 3.26Å; P71-T74 PolarHBondContact O-OG1 2.97Å; P71-R95 VanDerWaalsContact CG-NH2 3.3Å |
| 72 | A | 74.8 | Confident | 81.3 | Confident | 74 Ų | 74 | 54.9 Ų | 54.9 | 61% | 0.612 | 29% | 0.288 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -62.9 | 149.9 | 178.2 | 0 | 0 | 0 | 0 | 0 | 112.5 | S69 T74 | S69-A72 WeakPolarHBondContact O-CA 3.19Å; S69-A72 PolarHBondContact O-N 3.08Å; A72-T74 PolarHBondContact O-N 2.88Å |
| 73 | N | 75.2 | Confident | 81.8 | Confident | 134 Ų | 134 | 59.9 Ų | 59.9 | 72% | 0.717 | 31% | 0.305 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 56.1 | 29.1 | -179.1 | -54 | -27 | 0 | 0 | 0 | 114.2 | S69 A87 | S69-N73 PolarHBondContact OG-N 3.17Å; N73-A87 WeakPolarHBondContact O-CB 3.2Å |
| 74 | T | 83.8 | Confident | 82.2 | Confident | 9 Ų | 9 | 58.6 Ų | 58.6 | 6% | 0.055 | 30% | 0.299 | C | S | . | . | S | Bend | trans | -95.2 | -23.5 | 173.8 | 60.4 | 0 | 0 | 0 | 0 | 112 | S69 P71 A72 A87 M88 Y91 Y97 | S69-T74 PolarHBondContact OG-N 2.89Å; S69-T74 VanDerWaalsContact OG-N 3.14Å; S69-T74 PolarHBondContact OG-OG1 2.6Å; P71-T74 HydrophobicContact CB-CG2 3.82Å; P71-T74 HydrophobicContact CG-CG2 4.24Å; P71-T74 WeakPolarHBondContact O-CB 3.43Å; P71-T74 WeakPolarHBondContact O-CG2 3.26Å; P71-T74 PolarHBondContact O-OG1 2.97Å; A72-T74 PolarHBondContact O-N 2.88Å; T74-A87 PolarHBondContact O-N 2.97Å; T74-M88 WeakPolarHBondContact CB-SD 3.09Å; T74-M88 HydrophobicContact CG2-SD 3.35Å; T74-M88 WeakPolarHBondContact CG2-SD 3.31Å; T74-Y91 PolarHBondContact O-OH 2.92Å; T74-Y97 HydrophobicContact CG2-CD1 4.04Å; T74-Y97 HydrophobicContact CG2-CE1 4.19Å |
| 75 | F | 91.2 | Very high | 81.9 | Confident | 1 Ų | 1 | 60 Ų | 60 | 0% | 0.004 | 31% | 0.305 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.2 | 165.8 | 170.5 | -65.7 | -84.3 | 0 | 0 | 0 | 111 | V46 F66 I84 K85 T86 Y91 Y97 V99 I123 | V46-F75 HydrophobicContact CB-CE1 4.26Å; V46-F75 HydrophobicContact CG2-CE1 3.91Å; F66-F75 WeakPolarHBondContact CZ-O 3.2Å; F75-I84 HydrophobicContact CB-CG2 3.97Å; F75-I84 HydrophobicContact CD1-CG2 3.83Å; F75-I84 HydrophobicContact CG-CG2 4.04Å; F75-K85 CarbonylContact C-O 3.37Å; F75-K85 VanDerWaalsContact CA-O 3.3Å; F75-K85 WeakPolarHBondContact CA-O 3.28Å; F75-T86 HydrophobicContact CE1-CG2 4.12Å; F75-Y91 AromaticContact CE1-CE1 3.99Å; F75-Y91 HydrophobicContact CE1-CE1 3.99Å; F75-Y91 AromaticContact CE1-CZ 3.85Å; F75-Y91 WeakPolarHBondContact CE1-OH 3.3Å; F75-Y91 HydrophobicContact CE2-CD1 4.49Å; F75-Y91 AromaticContact CE2-CE1 3.6Å; F75-Y91 HydrophobicContact CE2-CE1 3.6Å; F75-Y91 HydrophobicContact CZ-CD1 4.13Å; F75-Y91 AromaticContact CZ-CE1 3.25Å; F75-Y91 HydrophobicContact CZ-CE1 3.25Å; F75-Y91 AromaticContact CZ-CZ 3.6Å; F75-Y97 HydrophobicContact CE2-CD1 4.31Å; F75-Y97 HydrophobicContact CE2-CG 4.16Å; F75-V99 HydrophobicContact CB-CG2 3.72Å; F75-V99 HydrophobicContact CD2-CG2 3.52Å; F75-V99 HydrophobicContact CE2-CG2 4.36Å; F75-V99 HydrophobicContact CG-CG2 3.68Å; F75-I123 HydrophobicContact CD1-CD1 4.06Å; F75-I123 HydrophobicContact CD2-CD1 4.05Å; F75-I123 HydrophobicContact CE1-CD1 3.73Å; F75-I123 HydrophobicContact CE2-CB 4.48Å; F75-I123 HydrophobicContact CE2-CD1 3.73Å; F75-I123 HydrophobicContact CG-CD1 4.22Å; F75-I123 HydrophobicContact CZ-CB 4.3Å; F75-I123 HydrophobicContact CZ-CD1 3.56Å; F75-I123 HydrophobicContact CZ-CG2 3.96Å |
| 76 | T | 84 | Confident | 81.9 | Confident | 67 Ų | 67 | 56.8 Ų | 56.8 | 41% | 0.411 | 29% | 0.291 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.6 | 156.6 | 166.9 | 47.7 | 0 | 0 | 0 | 0 | 107.8 | I84 K85 A87 | T76-I84 CarbonylContact O-C 3.5Å; T76-I84 WeakPolarHBondContact O-CA 3.45Å; T76-K85 PolarHBondContact N-O 2.92Å; T76-K85 PolarHBondContact O-N 2.98Å; T76-K85 PolarHBondContact OG1-O 3.36Å; T76-A87 HydrophobicContact CG2-CB 4.22Å |
| 77 | V | 89 | Confident | 81.5 | Confident | 20 Ų | 20 | 54.9 Ų | 54.9 | 12% | 0.121 | 29% | 0.288 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.6 | 137.4 | 173.3 | -168.6 | 0 | 0 | 0 | 0 | 109.4 | F66 R79 R83 I84 V99 V101 | F66-V77 HydrophobicContact CB-CB 4.06Å; F66-V77 HydrophobicContact CB-CG2 4.19Å; F66-V77 HydrophobicContact CD2-CB 4.37Å; F66-V77 HydrophobicContact CD2-CG2 3.59Å; F66-V77 HydrophobicContact CE2-CG2 4.25Å; F66-V77 HydrophobicContact CG-CB 4.45Å; F66-V77 HydrophobicContact CG-CG2 4.14Å; V77-R79 PolarHBondContact O-N 3.01Å; V77-R83 WeakPolarHBondContact CA-O 3.37Å; V77-I84 HydrophobicContact CG1-CG1 4.37Å; V77-I84 HydrophobicContact CG2-CB 4.49Å; V77-I84 HydrophobicContact CG2-CG1 4.01Å; V77-V99 HydrophobicContact CG2-CG1 3.92Å; V77-V101 HydrophobicContact CG1-CG1 4.27Å; V77-V101 HydrophobicContact CG1-CG2 4.42Å; V77-V101 HydrophobicContact CG2-CG2 3.8Å |
| 78 | D | 80.5 | Confident | 81.6 | Confident | 44 Ų | 44 | 53 Ų | 53 | 24% | 0.235 | 28% | 0.278 | C | S | . | . | trans | -78.9 | 114.5 | 179.9 | -171.1 | -71.3 | 0 | 0 | 0 | 110.7 | F80 T81 G82 R83 K85 | D78-F80 PolarHBondContact O-N 2.95Å; D78-F80 PolarHBondContact OD1-N 3.48Å; D78-T81 VanDerWaalsContact CB-OG1 3.27Å; D78-T81 WeakPolarHBondContact CB-OG1 3Å; D78-T81 PolarHBondContact O-N 2.88Å; D78-T81 PolarHBondContact OD1-N 2.77Å; D78-T81 VanDerWaalsContact OD1-N 3.13Å; D78-T81 PolarHBondContact OD1-OG1 3.24Å; D78-G82 PolarHBondContact O-N 3.07Å; D78-R83 HydrophobicContact CB-CB 3.96Å; D78-R83 PolarHBondContact N-O 3.3Å; D78-K85 IonicContact OD2-NZ 3.56Å; D78-K85 PolarHBondContact OD2-NZ 2.92Å | ||
| 79 | R | 83.7 | Confident | 81.8 | Confident | 136 Ų | 136 | 55.1 Ų | 55.1 | 51% | 0.513 | 29% | 0.291 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -60.8 | -22.2 | -167.2 | 89.2 | -177.5 | -128.3 | -152.8 | 4 | 115 | E63 Y64 V77 | E63-R79 CarbonylContact C-O 3.51Å; E63-R79 WeakPolarHBondContact CA-O 3.28Å; E63-R79 IonicContact OE1-CZ 3.48Å; E63-R79 IonicContact OE1-NE 3.35Å; E63-R79 PolarHBondContact OE1-NE 3.22Å; E63-R79 IonicContact OE1-NH2 3.49Å; E63-R79 PolarHBondContact OE1-NH2 3.19Å; E63-R79 IonicContact OE2-NE 2.82Å; E63-R79 IonicContact OE2-NH2 2.71Å; Y64-R79 PolarHBondContact N-O 3Å; Y64-R79 WeakPolarHBondContact O-CA 3.26Å; V77-R79 PolarHBondContact O-N 3.01Å |
| 80 | F | 79.1 | Confident | 81.5 | Confident | 127 Ų | 127 | 62.8 Ų | 62.8 | 56% | 0.557 | 32% | 0.319 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -106.4 | -19 | -177.9 | -59.6 | -63 | 0 | 0 | 0 | 113.3 | E63 D78 | E63-F80 VanDerWaalsContact OE1-CE1 3.23Å; E63-F80 WeakPolarHBondContact OE1-CE1 3.38Å; D78-F80 PolarHBondContact O-N 2.95Å; D78-F80 PolarHBondContact OD1-N 3.48Å |
| 81 | T | 81.5 | Confident | 81.8 | Confident | 59 Ų | 59 | 58 Ų | 58 | 36% | 0.362 | 30% | 0.297 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -120.9 | -0.8 | -173.7 | 63.1 | 0 | 0 | 0 | 0 | 114.9 | N48 D78 R83 | N48-T81 PolarHBondContact OD1-O 3.1Å; D78-T81 VanDerWaalsContact CB-OG1 3.27Å; D78-T81 WeakPolarHBondContact CB-OG1 3Å; D78-T81 PolarHBondContact O-N 2.88Å; D78-T81 PolarHBondContact OD1-N 2.77Å; D78-T81 VanDerWaalsContact OD1-N 3.13Å; D78-T81 PolarHBondContact OD1-OG1 3.24Å; T81-R83 PolarHBondContact O-N 3.15Å |
| 82 | G | 85.2 | Confident | 81.6 | Confident | 0 Ų | 0 | 60.1 Ų | 60.1 | 0% | 0 | 30% | 0.304 | C | S | . | . | trans | 66.3 | 6.3 | 178.7 | 0 | 0 | 0 | 0 | 0 | 114.7 | L49 D78 I84 | L49-G82 PolarHBondContact N-O 3.09Å; D78-G82 PolarHBondContact O-N 3.07Å; G82-I84 PolarHBondContact O-N 3.23Å | ||
| 83 | R | 85.3 | Confident | 81.7 | Confident | 120 Ų | 120 | 60.5 Ų | 60.5 | 45% | 0.453 | 30% | 0.302 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -71.5 | 111.6 | -177.1 | -73.2 | 178.9 | -178.1 | -172.2 | 4.1 | 111.3 | T45 N48 V77 D78 T81 K85 | T45-R83 HydrophobicContact CG2-CB 3.96Å; T45-R83 HydrophobicContact CG2-CG 4Å; N48-R83 WeakPolarHBondContact OD1-CG 3.36Å; N48-R83 PolarHBondContact OD1-NE 3.29Å; V77-R83 WeakPolarHBondContact CA-O 3.37Å; D78-R83 HydrophobicContact CB-CB 3.96Å; D78-R83 PolarHBondContact N-O 3.3Å; T81-R83 PolarHBondContact O-N 3.15Å; R83-K85 HydrophobicContact CB-CG 4.34Å; R83-K85 PolarHBondContact O-N 3.19Å |
| 84 | I | 88.4 | Confident | 81.5 | Confident | 0 Ų | 0 | 56.4 Ų | 56.4 | 0% | 0 | 29% | 0.292 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -76.7 | 111.3 | 169.8 | -52.2 | -171.3 | 0 | 0 | 0 | 108.2 | T45 V46 F47 L49 F75 T76 V77 G82 V99 V121 I123 | T45-I84 CarbonylContact C-O 3.56Å; T45-I84 WeakPolarHBondContact CA-O 3.32Å; V46-I84 PolarHBondContact N-O 2.95Å; F47-I84 HydrophobicContact CB-CB 4.22Å; F47-I84 HydrophobicContact CB-CD1 4.11Å; F47-I84 HydrophobicContact CB-CG1 4.32Å; F47-I84 HydrophobicContact CD1-CD1 4.25Å; F47-I84 PolarHBondContact O-N 3.08Å; L49-I84 HydrophobicContact CD1-CD1 3.98Å; L49-I84 HydrophobicContact CD1-CG1 4.41Å; L49-I84 HydrophobicContact CG-CD1 4.31Å; F75-I84 HydrophobicContact CB-CG2 3.97Å; F75-I84 HydrophobicContact CD1-CG2 3.83Å; F75-I84 HydrophobicContact CG-CG2 4.04Å; T76-I84 CarbonylContact O-C 3.5Å; T76-I84 WeakPolarHBondContact O-CA 3.45Å; V77-I84 HydrophobicContact CG1-CG1 4.37Å; V77-I84 HydrophobicContact CG2-CB 4.49Å; V77-I84 HydrophobicContact CG2-CG1 4.01Å; G82-I84 PolarHBondContact O-N 3.23Å; I84-V99 HydrophobicContact CD1-CB 4.12Å; I84-V99 HydrophobicContact CD1-CG1 3.8Å; I84-V99 HydrophobicContact CG1-CG1 4.37Å; I84-V99 HydrophobicContact CG2-CB 4.38Å; I84-V99 HydrophobicContact CG2-CG1 4.03Å; I84-V99 HydrophobicContact CG2-CG2 4.03Å; I84-V121 HydrophobicContact CD1-CB 3.98Å; I84-V121 HydrophobicContact CD1-CG1 4.39Å; I84-V121 HydrophobicContact CD1-CG2 3.62Å; I84-I123 HydrophobicContact CG2-CD1 4.17Å |
| 85 | K | 80.3 | Confident | 81.2 | Confident | 51 Ų | 51 | 61.4 Ų | 61.4 | 22% | 0.222 | 31% | 0.31 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.2 | 141.6 | -176.2 | -63.2 | 171.7 | -165.9 | 169.6 | 0 | 111.3 | F44 F75 T76 D78 R83 A87 | F44-K85 CarbonylContact O-C 3.58Å; F44-K85 VanDerWaalsContact O-CA 3.23Å; F44-K85 WeakPolarHBondContact O-CA 3.14Å; F75-K85 CarbonylContact C-O 3.37Å; F75-K85 VanDerWaalsContact CA-O 3.3Å; F75-K85 WeakPolarHBondContact CA-O 3.28Å; T76-K85 PolarHBondContact N-O 2.92Å; T76-K85 PolarHBondContact O-N 2.98Å; T76-K85 PolarHBondContact OG1-O 3.36Å; D78-K85 IonicContact OD2-NZ 3.56Å; D78-K85 PolarHBondContact OD2-NZ 2.92Å; R83-K85 HydrophobicContact CB-CG 4.34Å; R83-K85 PolarHBondContact O-N 3.19Å; K85-A87 PolarHBondContact O-N 2.89Å |
| 86 | T | 83.4 | Confident | 80.6 | Confident | 0 Ų | 0 | 63.5 Ų | 63.5 | 0% | 0 | 33% | 0.325 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -57.7 | 132.7 | 175.8 | 55.4 | 0 | 0 | 0 | 0 | 111.2 | V36 V40 P41 V42 G43 F44 V46 F75 Y91 | V36-T86 HydrophobicContact CG2-CG2 4.24Å; V40-T86 HydrophobicContact CG1-CG2 3.94Å; V40-T86 HydrophobicContact CG2-CG2 4.36Å; P41-T86 PolarHBondContact O-OG1 3.13Å; V42-T86 WeakPolarHBondContact CA-OG1 3.19Å; G43-T86 PolarHBondContact N-O 3.34Å; G43-T86 PolarHBondContact N-OG1 2.61Å; G43-T86 VanDerWaalsContact N-OG1 3.07Å; F44-T86 HydrophobicContact CB-CG2 4.06Å; F44-T86 HydrophobicContact CD1-CG2 4.19Å; F44-T86 PolarHBondContact N-OG1 2.76Å; F44-T86 PolarHBondContact O-N 3.16Å; F44-T86 PolarHBondContact O-OG1 2.9Å; V46-T86 HydrophobicContact CG2-CG2 3.71Å; F75-T86 HydrophobicContact CE1-CG2 4.12Å; T86-Y91 VanDerWaalsContact CA-OH 3.28Å; T86-Y91 WeakPolarHBondContact CA-OH 3.31Å; T86-Y91 WeakPolarHBondContact CB-OH 3.44Å; T86-Y91 HydrophobicContact CG2-CE2 3.67Å; T86-Y91 WeakPolarHBondContact CG2-OH 3.25Å |
| 87 | A | 77.6 | Confident | 80.5 | Confident | 32 Ų | 32 | 60.4 Ų | 60.4 | 26% | 0.264 | 31% | 0.306 | S | S | . | . | S | Bend | trans | -103.6 | -14.7 | 171.5 | 0 | 0 | 0 | 0 | 0 | 112.5 | N73 T74 T76 K85 | N73-A87 WeakPolarHBondContact O-CB 3.2Å; T74-A87 PolarHBondContact O-N 2.97Å; T76-A87 HydrophobicContact CG2-CB 4.22Å; K85-A87 PolarHBondContact O-N 2.89Å |
| 88 | M | 78.8 | Confident | 80.4 | Confident | 41 Ų | 41 | 65 Ų | 65 | 20% | 0.202 | 32% | 0.321 | C | S | . | . | S | Bend | trans | -120.2 | 145.2 | 178.9 | 57.4 | -172.2 | -85.6 | 0 | 0 | 110.9 | T74 R90 Y91 Y97 | T74-M88 WeakPolarHBondContact CB-SD 3.09Å; T74-M88 HydrophobicContact CG2-SD 3.35Å; T74-M88 WeakPolarHBondContact CG2-SD 3.31Å; M88-R90 WeakPolarHBondContact CE-O 3.03Å; M88-R90 PolarHBondContact O-N 2.9Å; M88-Y91 HydrophobicContact CE-CD1 3.87Å; M88-Y91 HydrophobicContact CE-CE1 4.1Å; M88-Y91 HydrophobicContact CE-CG 4.2Å; M88-Y91 HydrophobicContact CG-CD1 4.16Å; M88-Y91 HydrophobicContact CG-CD2 4.45Å; M88-Y91 HydrophobicContact CG-CE1 3.47Å; M88-Y91 VanDerWaalsContact CG-CE1 3.47Å; M88-Y91 HydrophobicContact CG-CE2 3.82Å; M88-Y91 WeakPolarHBondContact CG-OH 3.24Å; M88-Y91 VanDerWaalsContact O-CE2 3.23Å; M88-Y91 WeakPolarHBondContact O-CE2 3.43Å; M88-Y91 HydrophobicContact SD-CD1 3.94Å; M88-Y91 HydrophobicContact SD-CE1 3.56Å; M88-Y91 VanDerWaalsContact SD-CE1 3.56Å; M88-Y97 HydrophobicContact CE-CE1 3.9Å; M88-Y97 HydrophobicContact SD-CD1 4.49Å; M88-Y97 HydrophobicContact SD-CE1 3.86Å |
| 89 | P | 76.2 | Confident | 80.6 | Confident | 84 Ų | 84 | 62.9 Ų | 62.9 | 55% | 0.545 | 31% | 0.309 | S | S | . | . | S | Bend | trans | -83.7 | -3.3 | -173.7 | 32.2 | -36.5 | 0 | 0 | 0 | 115.2 | V40 V42 | V40-P89 PolarHBondContact N-O 3.32Å; V40-P89 VanDerWaalsContact N-O 3.14Å; V40-P89 CarbonylContact O-C 3.54Å; V40-P89 VanDerWaalsContact O-C 3.28Å; V40-P89 WeakPolarHBondContact O-CA 3.36Å; V42-P89 HydrophobicContact CG2-CB 4.15Å |
| 90 | R | 76.6 | Confident | 80.7 | Confident | 166 Ų | 166 | 58.3 Ų | 58.3 | 63% | 0.626 | 29% | 0.294 | S | S | * | . | B | Isolated β-bridge | trans | -155.1 | 113.8 | -170.2 | -165.7 | 175.4 | -156.3 | -147.3 | 7.2 | 113.1 | L38 E39 M88 | L38-R90 CarbonylContact O-C 3.48Å; L38-R90 WeakPolarHBondContact O-CA 3.22Å; L38-R90 VanDerWaalsContact O-CG 3.24Å; L38-R90 WeakPolarHBondContact O-CG 3.44Å; E39-R90 HydrophobicContact CG-CG 3.8Å; E39-R90 IonicContact OE1-CZ 3.74Å; E39-R90 IonicContact OE1-NE 2.72Å; E39-R90 PolarHBondContact OE1-NE 2.97Å; E39-R90 IonicContact OE1-NH2 2.73Å; E39-R90 PolarHBondContact OE1-NH2 3.46Å; M88-R90 WeakPolarHBondContact CE-O 3.03Å; M88-R90 PolarHBondContact O-N 2.9Å |
| 91 | Y | 84.7 | Confident | 81.1 | Confident | 7 Ų | 7 | 52.3 Ų | 52.3 | 3% | 0.027 | 27% | 0.267 | C | S | . | . | P | Polyproline II helix | trans | -101 | 154 | -177.4 | -64.4 | -95.2 | 0 | 0 | 0 | 112.1 | V36 L38 V40 T74 F75 T86 M88 Y97 | V36-Y91 HydrophobicContact CB-CD2 4.49Å; V36-Y91 HydrophobicContact CB-CG 4.41Å; V36-Y91 HydrophobicContact CG1-CD1 3.65Å; V36-Y91 HydrophobicContact CG1-CD2 4.07Å; V36-Y91 HydrophobicContact CG1-CE1 4.3Å; V36-Y91 HydrophobicContact CG1-CG 3.53Å; V36-Y91 HydrophobicContact CG2-CD1 4.39Å; V36-Y91 HydrophobicContact CG2-CD2 3.57Å; V36-Y91 HydrophobicContact CG2-CE2 3.71Å; V36-Y91 HydrophobicContact CG2-CG 3.96Å; L38-Y91 PolarHBondContact O-N 3.34Å; V40-Y91 HydrophobicContact CG1-CD2 3.61Å; V40-Y91 HydrophobicContact CG1-CE2 3.51Å; T74-Y91 PolarHBondContact O-OH 2.92Å; F75-Y91 AromaticContact CE1-CE1 3.99Å; F75-Y91 HydrophobicContact CE1-CE1 3.99Å; F75-Y91 AromaticContact CE1-CZ 3.85Å; F75-Y91 WeakPolarHBondContact CE1-OH 3.3Å; F75-Y91 HydrophobicContact CE2-CD1 4.49Å; F75-Y91 AromaticContact CE2-CE1 3.6Å; F75-Y91 HydrophobicContact CE2-CE1 3.6Å; F75-Y91 HydrophobicContact CZ-CD1 4.13Å; F75-Y91 AromaticContact CZ-CE1 3.25Å; F75-Y91 HydrophobicContact CZ-CE1 3.25Å; F75-Y91 AromaticContact CZ-CZ 3.6Å; T86-Y91 VanDerWaalsContact CA-OH 3.28Å; T86-Y91 WeakPolarHBondContact CA-OH 3.31Å; T86-Y91 WeakPolarHBondContact CB-OH 3.44Å; T86-Y91 HydrophobicContact CG2-CE2 3.67Å; T86-Y91 WeakPolarHBondContact CG2-OH 3.25Å; M88-Y91 HydrophobicContact CE-CD1 3.87Å; M88-Y91 HydrophobicContact CE-CE1 4.1Å; M88-Y91 HydrophobicContact CE-CG 4.2Å; M88-Y91 HydrophobicContact CG-CD1 4.16Å; M88-Y91 HydrophobicContact CG-CD2 4.45Å; M88-Y91 HydrophobicContact CG-CE1 3.47Å; M88-Y91 VanDerWaalsContact CG-CE1 3.47Å; M88-Y91 HydrophobicContact CG-CE2 3.82Å; M88-Y91 WeakPolarHBondContact CG-OH 3.24Å; M88-Y91 VanDerWaalsContact O-CE2 3.23Å; M88-Y91 WeakPolarHBondContact O-CE2 3.43Å; M88-Y91 HydrophobicContact SD-CD1 3.94Å; M88-Y91 HydrophobicContact SD-CE1 3.56Å; M88-Y91 VanDerWaalsContact SD-CE1 3.56Å; Y91-Y97 HydrophobicContact CD1-CD1 4.07Å; Y91-Y97 HydrophobicContact CD1-CD2 4.14Å; Y91-Y97 AromaticContact CD1-CE1 3.72Å; Y91-Y97 HydrophobicContact CD1-CE1 3.72Å; Y91-Y97 AromaticContact CD1-CE2 3.81Å; Y91-Y97 HydrophobicContact CD1-CE2 3.81Å; Y91-Y97 HydrophobicContact CD1-CG 4.29Å; Y91-Y97 AromaticContact CD1-CZ 3.59Å; Y91-Y97 HydrophobicContact CE1-CD1 4.22Å; Y91-Y97 HydrophobicContact CE1-CE1 4.16Å |
| 92 | I | 75.3 | Confident | 81.2 | Confident | 91 Ų | 91 | 51.7 Ų | 51.7 | 47% | 0.467 | 26% | 0.26 | S | S | . | . | P | Polyproline II helix | trans | -94.1 | 129.9 | -174.4 | -60.1 | 179.1 | 0 | 0 | 0 | 109.9 | G94 R95 Y97 G125 | I92-G94 PolarHBondContact O-N 3.23Å; I92-R95 HydrophobicContact CB-CB 3.87Å; I92-R95 HydrophobicContact CG2-CB 4.08Å; I92-R95 WeakPolarHBondContact O-CB 3.44Å; I92-R95 PolarHBondContact O-N 2.91Å; I92-R95 VanDerWaalsContact O-N 3.15Å; I92-Y97 PolarHBondContact N-OH 2.92Å; I92-G125 WeakPolarHBondContact O-CA 3.04Å |
| 93 | S | 76 | Confident | 81.2 | Confident | 81 Ų | 81 | 51.7 Ų | 51.7 | 57% | 0.566 | 26% | 0.26 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -62.4 | 134.2 | 178.9 | -160.3 | 0 | 0 | 0 | 0 | 111.8 | R95 G125 | S93-R95 PolarHBondContact O-N 2.83Å; S93-G125 CarbonylContact C-O 3.56Å; S93-G125 WeakPolarHBondContact CA-O 3.29Å |
| 94 | G | 71.7 | Confident | 80.8 | Confident | 49 Ų | 49 | 48.2 Ų | 48.2 | 51% | 0.505 | 25% | 0.248 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 75 | -5 | -176.2 | 0 | 0 | 0 | 0 | 0 | 115 | I92 G125 | I92-G94 PolarHBondContact O-N 3.23Å; G94-G125 PolarHBondContact N-O 3.03Å |
| 95 | R | 77.7 | Confident | 80.1 | Confident | 113 Ų | 113 | 48.6 Ų | 48.6 | 43% | 0.426 | 25% | 0.251 | S | S | . | . | trans | -85.8 | 128.5 | 178.8 | -174.6 | 170.8 | -174.8 | 165.4 | 7.9 | 110.5 | P71 I92 S93 Y97 M124 G125 | P71-R95 VanDerWaalsContact CG-NH2 3.3Å; I92-R95 HydrophobicContact CB-CB 3.87Å; I92-R95 HydrophobicContact CG2-CB 4.08Å; I92-R95 WeakPolarHBondContact O-CB 3.44Å; I92-R95 PolarHBondContact O-N 2.91Å; I92-R95 VanDerWaalsContact O-N 3.15Å; S93-R95 PolarHBondContact O-N 2.83Å; R95-Y97 HydrophobicContact CB-CE2 3.83Å; R95-Y97 HydrophobicContact CG-CD2 4.33Å; R95-Y97 HydrophobicContact CG-CE2 3.78Å; R95-Y97 WeakPolarHBondContact O-CD2 3.46Å; R95-Y97 WeakPolarHBondContact O-CE2 3.2Å; R95-M124 WeakPolarHBondContact O-CA 3.48Å; R95-G125 PolarHBondContact O-N 3.29Å | ||
| 96 | S | 78.6 | Confident | 79.3 | Confident | 45 Ų | 45 | 48.6 Ų | 48.6 | 32% | 0.315 | 26% | 0.257 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -80 | 146.4 | 166 | 172.1 | 0 | 0 | 0 | 0 | 111 | D122 I123 | S96-D122 PolarHBondContact OG-OD1 3.3Å; S96-D122 PolarHBondContact OG-OD2 2.9Å; S96-I123 CarbonylContact C-O 3.52Å; S96-I123 WeakPolarHBondContact CA-O 3.04Å |
| 97 | Y | 80.5 | Confident | 78.4 | Confident | 2 Ų | 2 | 53.2 Ų | 53.2 | 1% | 0.008 | 27% | 0.274 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.2 | 124.4 | 174.9 | -59.9 | -107.9 | 0 | 0 | 0 | 107.5 | E70 T74 F75 M88 Y91 I92 R95 I123 | E70-Y97 CarbonylContact O-C 3.54Å; E70-Y97 VanDerWaalsContact O-CA 3.27Å; E70-Y97 WeakPolarHBondContact O-CA 3.44Å; T74-Y97 HydrophobicContact CG2-CD1 4.04Å; T74-Y97 HydrophobicContact CG2-CE1 4.19Å; F75-Y97 HydrophobicContact CE2-CD1 4.31Å; F75-Y97 HydrophobicContact CE2-CG 4.16Å; M88-Y97 HydrophobicContact CE-CE1 3.9Å; M88-Y97 HydrophobicContact SD-CD1 4.49Å; M88-Y97 HydrophobicContact SD-CE1 3.86Å; Y91-Y97 HydrophobicContact CD1-CD1 4.07Å; Y91-Y97 HydrophobicContact CD1-CD2 4.14Å; Y91-Y97 AromaticContact CD1-CE1 3.72Å; Y91-Y97 HydrophobicContact CD1-CE1 3.72Å; Y91-Y97 AromaticContact CD1-CE2 3.81Å; Y91-Y97 HydrophobicContact CD1-CE2 3.81Å; Y91-Y97 HydrophobicContact CD1-CG 4.29Å; Y91-Y97 AromaticContact CD1-CZ 3.59Å; Y91-Y97 HydrophobicContact CE1-CD1 4.22Å; Y91-Y97 HydrophobicContact CE1-CE1 4.16Å; I92-Y97 PolarHBondContact N-OH 2.92Å; R95-Y97 HydrophobicContact CB-CE2 3.83Å; R95-Y97 HydrophobicContact CG-CD2 4.33Å; R95-Y97 HydrophobicContact CG-CE2 3.78Å; R95-Y97 WeakPolarHBondContact O-CD2 3.46Å; R95-Y97 WeakPolarHBondContact O-CE2 3.2Å; Y97-I123 PolarHBondContact N-O 3Å; Y97-I123 WeakPolarHBondContact O-CB 3.4Å; Y97-I123 PolarHBondContact O-N 3.06Å |
| 98 | R | 86.8 | Confident | 77.3 | Confident | 116 Ų | 116 | 58.1 Ų | 58.1 | 44% | 0.438 | 30% | 0.304 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.7 | 146.9 | -179.3 | -68 | 175.8 | 176.5 | 177.9 | -5.7 | 111.5 | S69 E70 F100 V120 V121 D122 | S69-R98 CarbonylContact C-O 3.58Å; S69-R98 WeakPolarHBondContact CA-O 3.3Å; E70-R98 HydrophobicContact CB-CB 4.32Å; E70-R98 PolarHBondContact N-O 3Å; E70-R98 PolarHBondContact O-N 2.82Å; R98-F100 HydrophobicContact CB-CD2 4.42Å; R98-F100 HydrophobicContact CB-CE2 3.65Å; R98-F100 HydrophobicContact CB-CZ 4.15Å; R98-V120 HydrophobicContact CB-CG1 4.45Å; R98-V121 CarbonylContact C-O 3.54Å; R98-V121 VanDerWaalsContact CA-O 3.31Å; R98-V121 WeakPolarHBondContact CA-O 3.48Å; R98-D122 HydrophobicContact CG-CB 4.39Å; R98-D122 IonicContact CZ-OD2 2.74Å; R98-D122 IonicContact NE-OD2 3.49Å; R98-D122 PolarHBondContact NE-OD2 2.91Å; R98-D122 IonicContact NH2-OD2 2.73Å; R98-D122 PolarHBondContact NH2-OD2 2.83Å |
| 99 | V | 85.5 | Confident | 75.9 | Confident | 0 Ų | 0 | 60 Ų | 60 | 0% | 0 | 33% | 0.334 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.6 | 124.3 | 176 | -179.8 | 0 | 0 | 0 | 0 | 109.1 | F66 F75 V77 I84 V101 V120 V121 I123 | F66-V99 HydrophobicContact CD2-CG1 4.3Å; F66-V99 HydrophobicContact CE2-CG1 4.04Å; F75-V99 HydrophobicContact CB-CG2 3.72Å; F75-V99 HydrophobicContact CD2-CG2 3.52Å; F75-V99 HydrophobicContact CE2-CG2 4.36Å; F75-V99 HydrophobicContact CG-CG2 3.68Å; V77-V99 HydrophobicContact CG2-CG1 3.92Å; I84-V99 HydrophobicContact CD1-CB 4.12Å; I84-V99 HydrophobicContact CD1-CG1 3.8Å; I84-V99 HydrophobicContact CG1-CG1 4.37Å; I84-V99 HydrophobicContact CG2-CB 4.38Å; I84-V99 HydrophobicContact CG2-CG1 4.03Å; I84-V99 HydrophobicContact CG2-CG2 4.03Å; V99-V101 HydrophobicContact CG1-CG2 3.88Å; V99-V120 WeakPolarHBondContact O-CA 3.25Å; V99-V121 PolarHBondContact N-O 3.05Å; V99-V121 PolarHBondContact O-N 3.27Å; V99-I123 HydrophobicContact CG2-CD1 3.77Å |
| 100 | F | 85.8 | Confident | 74.4 | Confident | 41 Ų | 41 | 60 Ų | 60 | 18% | 0.18 | 33% | 0.328 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110 | 125 | -174.8 | -62 | -100.4 | 0 | 0 | 0 | 109.6 | I67 S68 E70 R98 I118 A119 V120 | I67-F100 HydrophobicContact CB-CB 4.06Å; I67-F100 HydrophobicContact CG2-CB 4.44Å; I67-F100 PolarHBondContact N-O 2.83Å; S68-F100 PolarHBondContact N-O 2.89Å; S68-F100 PolarHBondContact O-N 3.28Å; S68-F100 WeakPolarHBondContact OG-CD2 3.19Å; E70-F100 HydrophobicContact CB-CE2 4.41Å; E70-F100 HydrophobicContact CG-CE2 3.82Å; R98-F100 HydrophobicContact CB-CD2 4.42Å; R98-F100 HydrophobicContact CB-CE2 3.65Å; R98-F100 HydrophobicContact CB-CZ 4.15Å; F100-I118 HydrophobicContact CB-CG2 4.16Å; F100-I118 HydrophobicContact CD1-CG2 4.15Å; F100-A119 WeakPolarHBondContact CA-O 3.33Å; F100-V120 HydrophobicContact CD1-CB 4.39Å; F100-V120 HydrophobicContact CD1-CG1 4.09Å; F100-V120 HydrophobicContact CD1-CG2 3.61Å; F100-V120 HydrophobicContact CE1-CB 4.36Å; F100-V120 HydrophobicContact CE1-CG1 3.73Å; F100-V120 HydrophobicContact CE1-CG2 3.68Å; F100-V120 HydrophobicContact CZ-CG1 3.98Å |
| 101 | V | 87 | Confident | 72.5 | Confident | 0 Ų | 0 | 60.1 Ų | 60.1 | 0% | 0 | 34% | 0.34 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -142 | 145.8 | -172.5 | -169 | 0 | 0 | 0 | 0 | 110.6 | F25 L49 H65 V77 V99 I118 A119 | F25-V101 HydrophobicContact CZ-CG1 4.48Å; L49-V101 HydrophobicContact CD1-CB 3.49Å; L49-V101 VanDerWaalsContact CD1-CB 3.49Å; L49-V101 HydrophobicContact CD1-CG1 3.8Å; L49-V101 HydrophobicContact CD1-CG2 3.48Å; L49-V101 VanDerWaalsContact CD1-CG2 3.48Å; H65-V101 WeakPolarHBondContact O-CA 3.18Å; H65-V101 WeakPolarHBondContact O-CG1 3.35Å; V77-V101 HydrophobicContact CG1-CG1 4.27Å; V77-V101 HydrophobicContact CG1-CG2 4.42Å; V77-V101 HydrophobicContact CG2-CG2 3.8Å; V99-V101 HydrophobicContact CG1-CG2 3.88Å; V101-I118 CarbonylContact O-C 3.52Å; V101-I118 WeakPolarHBondContact O-CA 3.28Å; V101-A119 PolarHBondContact N-O 2.79Å; V101-A119 PolarHBondContact O-N 2.96Å |
| 102 | Q | 84.8 | Confident | 70.7 | Confident | 46 Ų | 46 | 64.6 Ų | 64.6 | 22% | 0.215 | 37% | 0.372 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.4 | 143.8 | 178.6 | -172.5 | 171.4 | 29.2 | 0 | 0 | 109.7 | H65 I67 Y115 S116 I118 | H65-Q102 WeakPolarHBondContact CA-O 3.39Å; H65-Q102 WeakPolarHBondContact CB-O 3.4Å; H65-Q102 PolarHBondContact N-O 3.12Å; H65-Q102 PolarHBondContact O-N 3.24Å; I67-Q102 HydrophobicContact CD1-CB 3.78Å; I67-Q102 HydrophobicContact CG1-CB 4.41Å; Q102-Y115 HydrophobicContact CG-CD1 4.33Å; Q102-S116 WeakPolarHBondContact CG-O 3.36Å; Q102-S116 PolarHBondContact NE2-O 3.49Å; Q102-I118 HydrophobicContact CB-CG1 4.49Å |
| 103 | A | 83.5 | Confident | 69.7 | Low | 0 Ų | 0 | 66.2 Ų | 66.2 | 0% | 0 | 38% | 0.381 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.6 | 153.9 | 175.8 | 0 | 0 | 0 | 0 | 0 | 111.3 | P23 F25 A51 V62 Y115 S116 | P23-A103 HydrophobicContact CB-CB 4.18Å; P23-A103 HydrophobicContact CG-CB 4.13Å; F25-A103 HydrophobicContact CZ-CB 4.35Å; A51-A103 HydrophobicContact CB-CB 3.73Å; V62-A103 HydrophobicContact CG1-CB 4.18Å; A103-Y115 WeakPolarHBondContact O-CA 3.3Å; A103-S116 PolarHBondContact N-OG 2.94Å; A103-S116 PolarHBondContact O-N 2.9Å |
| 104 | F | 76.7 | Confident | 68.9 | Low | 48 Ų | 48 | 63 Ų | 63 | 21% | 0.211 | 36% | 0.362 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -148.4 | 139.1 | -176 | 175.5 | -110.3 | 0 | 0 | 0 | 110.9 | V62 E63 H65 G114 Y115 | V62-F104 CarbonylContact C-O 3.59Å; V62-F104 WeakPolarHBondContact CA-O 3.3Å; E63-F104 PolarHBondContact N-O 2.78Å; E63-F104 PolarHBondContact O-N 3.47Å; E63-F104 VanDerWaalsContact O-N 3.11Å; H65-F104 AromaticContact CE1-CD1 3.82Å; F104-G114 WeakPolarHBondContact CA-O 3.47Å; F104-G114 VanDerWaalsContact CD2-O 3.31Å; F104-G114 WeakPolarHBondContact CD2-O 3.39Å; F104-Y115 HydrophobicContact CB-CD1 3.71Å; F104-Y115 HydrophobicContact CB-CE1 3.66Å; F104-Y115 AromaticContact CD2-CD1 3.52Å; F104-Y115 HydrophobicContact CD2-CD1 3.52Å; F104-Y115 AromaticContact CD2-CD2 3.86Å; F104-Y115 HydrophobicContact CD2-CD2 3.86Å; F104-Y115 AromaticContact CD2-CE1 3.3Å; F104-Y115 HydrophobicContact CD2-CE1 3.3Å; F104-Y115 AromaticContact CD2-CE2 3.65Å; F104-Y115 HydrophobicContact CD2-CE2 3.65Å; F104-Y115 AromaticContact CD2-CG 3.79Å; F104-Y115 HydrophobicContact CD2-CG 3.79Å; F104-Y115 AromaticContact CD2-CZ 3.36Å; F104-Y115 HydrophobicContact CE2-CD2 4.17Å; F104-Y115 HydrophobicContact CE2-CE1 4.08Å; F104-Y115 AromaticContact CE2-CE2 3.7Å; F104-Y115 HydrophobicContact CE2-CE2 3.7Å; F104-Y115 AromaticContact CE2-CZ 3.64Å; F104-Y115 AromaticContact CG-CD1 3.96Å; F104-Y115 HydrophobicContact CG-CD1 3.96Å; F104-Y115 AromaticContact CG-CE1 3.6Å; F104-Y115 HydrophobicContact CG-CE1 3.6Å; F104-Y115 AromaticContact CG-CZ 3.99Å |
| 105 | D | 74.5 | Confident | 69.2 | Low | 8 Ų | 8 | 65.3 Ų | 65.3 | 4% | 0.043 | 36% | 0.356 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.7 | 126.1 | 171.6 | -172.5 | 6.7 | 0 | 0 | 0 | 111.4 | S61 R107 G114 | S61-D105 WeakPolarHBondContact CB-OD1 3.39Å; S61-D105 PolarHBondContact OG-OD1 2.62Å; D105-R107 PolarHBondContact OD1-N 2.55Å; D105-R107 IonicContact OD1-NE 2.77Å; D105-R107 PolarHBondContact OD1-NE 2.76Å; D105-R107 IonicContact OD2-CZ 2.88Å; D105-R107 VanDerWaalsContact OD2-CZ 3.23Å; D105-R107 IonicContact OD2-NE 3.19Å; D105-R107 PolarHBondContact OD2-NE 3.43Å; D105-R107 IonicContact OD2-NH2 3.77Å; D105-R107 PolarHBondContact OD2-NH2 3.5Å; D105-G114 PolarHBondContact N-O 3.02Å |
| 106 | S | 63 | Low | 69.4 | Low | 51 Ų | 51 | 60.4 Ų | 60.4 | 36% | 0.357 | 34% | 0.339 | S | S | . | . | trans | -101.7 | 11.1 | -169.7 | 61.4 | 0 | 0 | 0 | 0 | 115.6 | S61 | S61-S106 WeakPolarHBondContact CA-OG 3.3Å; S61-S106 WeakPolarHBondContact O-CB 3.42Å; S61-S106 PolarHBondContact O-N 2.96Å; S61-S106 PolarHBondContact O-OG 2.9Å | ||
| 107 | R | 65.6 | Low | 69.4 | Low | 97 Ų | 97 | 62.8 Ų | 62.8 | 37% | 0.366 | 35% | 0.345 | S | S | . | . | trans | -60.6 | 140.6 | -180 | -74.5 | -179 | -81.1 | -179.5 | 0.9 | 112.7 | D105 L110 | D105-R107 PolarHBondContact OD1-N 2.55Å; D105-R107 IonicContact OD1-NE 2.77Å; D105-R107 PolarHBondContact OD1-NE 2.76Å; D105-R107 IonicContact OD2-CZ 2.88Å; D105-R107 VanDerWaalsContact OD2-CZ 3.23Å; D105-R107 IonicContact OD2-NE 3.19Å; D105-R107 PolarHBondContact OD2-NE 3.43Å; D105-R107 IonicContact OD2-NH2 3.77Å; D105-R107 PolarHBondContact OD2-NH2 3.5Å; R107-L110 HydrophobicContact CB-CD1 3.95Å; R107-L110 VanDerWaalsContact O-CD1 3.28Å; R107-L110 WeakPolarHBondContact O-CD1 3.34Å | ||
| 108 | P | 53.7 | Low | 69.4 | Low | 135 Ų | 135 | 66.9 Ų | 66.9 | 88% | 0.877 | 37% | 0.366 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -77 | 132.9 | -178.7 | -13.8 | 30 | 0 | 0 | 0 | 112.7 | ||
| 109 | G | 50.7 | Low | 69.3 | Low | 81 Ų | 81 | 61.5 Ų | 61.5 | 84% | 0.835 | 35% | 0.347 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 126.2 | -24.3 | 178.9 | 0 | 0 | 0 | 0 | 0 | 113.3 | ||
| 110 | L | 44 | Very low | 69.2 | Low | 82 Ų | 82 | 64.1 Ų | 64.1 | 43% | 0.429 | 36% | 0.363 | S | S | . | . | trans | -75.6 | 126.8 | 178.7 | -69.9 | 83.1 | 0 | 0 | 0 | 111.9 | R107 | R107-L110 HydrophobicContact CB-CD1 3.95Å; R107-L110 VanDerWaalsContact O-CD1 3.28Å; R107-L110 WeakPolarHBondContact O-CD1 3.34Å | ||
| 111 | I | 37.2 | Very low | 69.3 | Low | 170 Ų | 170 | 62.2 Ų | 62.2 | 87% | 0.872 | 35% | 0.354 | S | S | * | . | trans | -138.1 | 66.5 | 161 | -45.6 | -179.3 | 0 | 0 | 0 | 111.5 | ||||
| 112 | S | 45.5 | Very low | 69.1 | Low | 101 Ų | 101 | 63.1 Ų | 63.1 | 71% | 0.706 | 36% | 0.359 | S | S | * | . | S | Bend | trans | -175.9 | 125.3 | 130.9 | 53.8 | 0 | 0 | 0 | 0 | 112.9 | ||
| 113 | N | 53.9 | Low | 69.1 | Low | 124 Ų | 124 | 61 Ų | 61 | 66% | 0.663 | 35% | 0.349 | S | S | * | . | trans | 69.6 | 36.4 | 156.7 | -53.7 | -18 | 0 | 0 | 0 | 119.8 | K22 Y115 | K22-N113 WeakPolarHBondContact CE-O 3.34Å; N113-Y115 PolarHBondContact O-N 3.04Å | ||
| 114 | G | 59.8 | Low | 68.9 | Low | 15 Ų | 15 | 63.2 Ų | 63.2 | 16% | 0.155 | 36% | 0.36 | C | S | . | . | trans | -75.5 | 42.1 | 171.7 | 0 | 0 | 0 | 0 | 0 | 116.2 | F104 D105 | F104-G114 WeakPolarHBondContact CA-O 3.47Å; F104-G114 VanDerWaalsContact CD2-O 3.31Å; F104-G114 WeakPolarHBondContact CD2-O 3.39Å; D105-G114 PolarHBondContact N-O 3.02Å | ||
| 115 | Y | 77.3 | Confident | 68.6 | Low | 97 Ų | 97 | 60.9 Ų | 60.9 | 38% | 0.38 | 35% | 0.35 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.4 | 146.6 | -178.9 | -70.6 | -83.7 | 0 | 0 | 0 | 112.6 | Q102 A103 F104 N113 | Q102-Y115 HydrophobicContact CG-CD1 4.33Å; A103-Y115 WeakPolarHBondContact O-CA 3.3Å; F104-Y115 HydrophobicContact CB-CD1 3.71Å; F104-Y115 HydrophobicContact CB-CE1 3.66Å; F104-Y115 AromaticContact CD2-CD1 3.52Å; F104-Y115 HydrophobicContact CD2-CD1 3.52Å; F104-Y115 AromaticContact CD2-CD2 3.86Å; F104-Y115 HydrophobicContact CD2-CD2 3.86Å; F104-Y115 AromaticContact CD2-CE1 3.3Å; F104-Y115 HydrophobicContact CD2-CE1 3.3Å; F104-Y115 AromaticContact CD2-CE2 3.65Å; F104-Y115 HydrophobicContact CD2-CE2 3.65Å; F104-Y115 AromaticContact CD2-CG 3.79Å; F104-Y115 HydrophobicContact CD2-CG 3.79Å; F104-Y115 AromaticContact CD2-CZ 3.36Å; F104-Y115 HydrophobicContact CE2-CD2 4.17Å; F104-Y115 HydrophobicContact CE2-CE1 4.08Å; F104-Y115 AromaticContact CE2-CE2 3.7Å; F104-Y115 HydrophobicContact CE2-CE2 3.7Å; F104-Y115 AromaticContact CE2-CZ 3.64Å; F104-Y115 AromaticContact CG-CD1 3.96Å; F104-Y115 HydrophobicContact CG-CD1 3.96Å; F104-Y115 AromaticContact CG-CE1 3.6Å; F104-Y115 HydrophobicContact CG-CE1 3.6Å; F104-Y115 AromaticContact CG-CZ 3.99Å; N113-Y115 PolarHBondContact O-N 3.04Å |
| 116 | S | 82.4 | Confident | 68.6 | Low | 10 Ų | 10 | 61.9 Ų | 61.9 | 7% | 0.07 | 36% | 0.362 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -78.2 | -179.3 | 175.2 | 71.8 | 0 | 0 | 0 | 0 | 114 | P23 F25 Q102 A103 | P23-S116 WeakPolarHBondContact O-CA 3.46Å; P23-S116 WeakPolarHBondContact O-CB 3.26Å; F25-S116 WeakPolarHBondContact CE2-OG 3.2Å; Q102-S116 WeakPolarHBondContact CG-O 3.36Å; Q102-S116 PolarHBondContact NE2-O 3.49Å; A103-S116 PolarHBondContact N-OG 2.94Å; A103-S116 PolarHBondContact O-N 2.9Å |
| 117 | E | 78.8 | Confident | 69.1 | Low | 95 Ų | 95 | 62.8 Ų | 62.8 | 44% | 0.444 | 37% | 0.368 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -61.9 | 172.9 | 156 | 69.8 | -72.2 | 162.9 | 0 | 0 | 112.9 | F25 | F25-E117 HydrophobicContact CD2-CG 4.41Å; F25-E117 WeakPolarHBondContact CD2-OE1 3.29Å; F25-E117 WeakPolarHBondContact CE2-O 3.36Å; F25-E117 PolarHBondContact N-OE1 2.8Å |
| 118 | I | 81.5 | Confident | 69.7 | Low | 87 Ų | 87 | 60.2 Ų | 60.2 | 45% | 0.446 | 36% | 0.359 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.7 | 115.3 | 179.9 | -61 | 170.6 | 0 | 0 | 0 | 110 | I67 F100 V101 Q102 V120 | I67-I118 HydrophobicContact CD1-CB 4.33Å; I67-I118 HydrophobicContact CD1-CD1 3.79Å; I67-I118 HydrophobicContact CD1-CG1 3.68Å; I67-I118 HydrophobicContact CD1-CG2 3.78Å; F100-I118 HydrophobicContact CB-CG2 4.16Å; F100-I118 HydrophobicContact CD1-CG2 4.15Å; V101-I118 CarbonylContact O-C 3.52Å; V101-I118 WeakPolarHBondContact O-CA 3.28Å; Q102-I118 HydrophobicContact CB-CG1 4.49Å; I118-V120 HydrophobicContact CG2-CG2 4.36Å |
| 119 | A | 84.7 | Confident | 70.8 | Confident | 4 Ų | 4 | 55.5 Ų | 55.5 | 3% | 0.033 | 33% | 0.331 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -72.2 | 132.8 | 168.2 | 0 | 0 | 0 | 0 | 0 | 110.7 | F25 F32 L49 F100 V101 | F25-A119 HydrophobicContact CD1-CB 4.13Å; F25-A119 HydrophobicContact CD2-CB 3.76Å; F25-A119 HydrophobicContact CE1-CB 4Å; F25-A119 HydrophobicContact CE2-CB 3.59Å; F25-A119 HydrophobicContact CG-CB 4.03Å; F25-A119 HydrophobicContact CZ-CB 3.72Å; F32-A119 HydrophobicContact CD2-CB 4.15Å; F32-A119 HydrophobicContact CE2-CB 3.69Å; L49-A119 HydrophobicContact CD1-CB 4.12Å; L49-A119 HydrophobicContact CD2-CB 3.81Å; F100-A119 WeakPolarHBondContact CA-O 3.33Å; V101-A119 PolarHBondContact N-O 2.79Å; V101-A119 PolarHBondContact O-N 2.96Å |
| 120 | V | 82.5 | Confident | 72.2 | Confident | 55 Ų | 55 | 51.8 Ų | 51.8 | 33% | 0.333 | 29% | 0.292 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.5 | 113.2 | 176.4 | -170.8 | 0 | 0 | 0 | 0 | 109.5 | R98 V99 F100 I118 | R98-V120 HydrophobicContact CB-CG1 4.45Å; V99-V120 WeakPolarHBondContact O-CA 3.25Å; F100-V120 HydrophobicContact CD1-CB 4.39Å; F100-V120 HydrophobicContact CD1-CG1 4.09Å; F100-V120 HydrophobicContact CD1-CG2 3.61Å; F100-V120 HydrophobicContact CE1-CB 4.36Å; F100-V120 HydrophobicContact CE1-CG1 3.73Å; F100-V120 HydrophobicContact CE1-CG2 3.68Å; F100-V120 HydrophobicContact CZ-CG1 3.98Å; I118-V120 HydrophobicContact CG2-CG2 4.36Å |
| 121 | V | 87.3 | Confident | 74 | Confident | 0 Ų | 0 | 48.8 Ų | 48.8 | 0% | 0 | 28% | 0.276 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.7 | 117.1 | 178.6 | -171.1 | 0 | 0 | 0 | 0 | 110.1 | F32 A34 F47 L49 I84 R98 V99 I123 | F32-V121 HydrophobicContact CB-CB 4.29Å; F32-V121 HydrophobicContact CB-CG1 4.26Å; F32-V121 HydrophobicContact CB-CG2 3.9Å; F32-V121 HydrophobicContact CD2-CG2 4.21Å; F32-V121 HydrophobicContact CG-CG2 4.42Å; F32-V121 CarbonylContact O-C 3.55Å; F32-V121 WeakPolarHBondContact O-CA 3.32Å; A34-V121 HydrophobicContact CB-CG1 4.36Å; F47-V121 HydrophobicContact CB-CG1 4.26Å; F47-V121 HydrophobicContact CD1-CG1 4.12Å; F47-V121 HydrophobicContact CD1-CG2 3.92Å; F47-V121 HydrophobicContact CD2-CG1 4.1Å; F47-V121 HydrophobicContact CE1-CG1 4.49Å; F47-V121 HydrophobicContact CE1-CG2 4.05Å; F47-V121 HydrophobicContact CE2-CG1 4.47Å; F47-V121 HydrophobicContact CG-CG1 3.91Å; L49-V121 HydrophobicContact CD1-CG2 4.42Å; L49-V121 HydrophobicContact CD2-CG2 4.12Å; L49-V121 HydrophobicContact CG-CG2 4.44Å; I84-V121 HydrophobicContact CD1-CB 3.98Å; I84-V121 HydrophobicContact CD1-CG1 4.39Å; I84-V121 HydrophobicContact CD1-CG2 3.62Å; R98-V121 CarbonylContact C-O 3.54Å; R98-V121 VanDerWaalsContact CA-O 3.31Å; R98-V121 WeakPolarHBondContact CA-O 3.48Å; V99-V121 PolarHBondContact N-O 3.05Å; V99-V121 PolarHBondContact O-N 3.27Å; V121-I123 HydrophobicContact CG1-CD1 4.49Å; V121-I123 HydrophobicContact CG1-CG1 3.93Å |
| 122 | D | 83.7 | Confident | 76.2 | Confident | 20 Ų | 20 | 41.4 Ų | 41.4 | 11% | 0.107 | 24% | 0.237 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -96.3 | 103.1 | 179.6 | -168 | -67.1 | 0 | 0 | 0 | 109.8 | F32 L33 A34 S96 R98 R128 | F32-D122 PolarHBondContact O-N 3.12Å; L33-D122 WeakPolarHBondContact CA-O 3.31Å; L33-D122 HydrophobicContact CD2-CB 3.81Å; A34-D122 PolarHBondContact N-O 3.33Å; S96-D122 PolarHBondContact OG-OD1 3.3Å; S96-D122 PolarHBondContact OG-OD2 2.9Å; R98-D122 HydrophobicContact CG-CB 4.39Å; R98-D122 IonicContact CZ-OD2 2.74Å; R98-D122 IonicContact NE-OD2 3.49Å; R98-D122 PolarHBondContact NE-OD2 2.91Å; R98-D122 IonicContact NH2-OD2 2.73Å; R98-D122 PolarHBondContact NH2-OD2 2.83Å; D122-R128 PolarHBondContact O-NH2 2.96Å; D122-R128 IonicContact OD1-CZ 2.7Å; D122-R128 IonicContact OD1-NH1 3.71Å; D122-R128 IonicContact OD1-NH2 3.86Å; D122-R128 PolarHBondContact OD1-NH2 2.92Å |
| 123 | I | 85.3 | Confident | 77.6 | Confident | 0 Ų | 0 | 40.6 Ų | 40.6 | 0% | 0 | 22% | 0.221 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -101 | 117.3 | -172.7 | -50.6 | 176.2 | 0 | 0 | 0 | 109 | A34 V36 V46 F75 I84 S96 Y97 V99 V121 | A34-I123 HydrophobicContact CB-CG1 4.21Å; A34-I123 HydrophobicContact CB-CG2 4.4Å; V36-I123 HydrophobicContact CB-CG2 3.71Å; V36-I123 HydrophobicContact CG1-CG2 3.74Å; V46-I123 HydrophobicContact CG1-CD1 4.12Å; V46-I123 HydrophobicContact CG1-CG1 4.48Å; V46-I123 HydrophobicContact CG1-CG2 3.71Å; F75-I123 HydrophobicContact CD1-CD1 4.06Å; F75-I123 HydrophobicContact CD2-CD1 4.05Å; F75-I123 HydrophobicContact CE1-CD1 3.73Å; F75-I123 HydrophobicContact CE2-CB 4.48Å; F75-I123 HydrophobicContact CE2-CD1 3.73Å; F75-I123 HydrophobicContact CG-CD1 4.22Å; F75-I123 HydrophobicContact CZ-CB 4.3Å; F75-I123 HydrophobicContact CZ-CD1 3.56Å; F75-I123 HydrophobicContact CZ-CG2 3.96Å; I84-I123 HydrophobicContact CG2-CD1 4.17Å; S96-I123 CarbonylContact C-O 3.52Å; S96-I123 WeakPolarHBondContact CA-O 3.04Å; Y97-I123 PolarHBondContact N-O 3Å; Y97-I123 WeakPolarHBondContact O-CB 3.4Å; Y97-I123 PolarHBondContact O-N 3.06Å; V99-I123 HydrophobicContact CG2-CD1 3.77Å; V121-I123 HydrophobicContact CG1-CD1 4.49Å; V121-I123 HydrophobicContact CG1-CG1 3.93Å |
| 124 | M | 78.4 | Confident | 78.7 | Confident | 47 Ų | 47 | 39.6 Ų | 39.6 | 23% | 0.232 | 21% | 0.212 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -97.8 | 129.4 | 179.2 | -167.2 | 177.9 | -136.6 | 0 | 0 | 111.8 | A34 V35 V36 R95 G126 R128 | A34-M124 PolarHBondContact O-N 3.21Å; V35-M124 CarbonylContact C-O 3.56Å; V35-M124 WeakPolarHBondContact CA-O 3.32Å; V35-M124 HydrophobicContact CG1-CB 4.45Å; V36-M124 PolarHBondContact N-O 3.32Å; R95-M124 WeakPolarHBondContact O-CA 3.48Å; M124-G126 PolarHBondContact O-N 3.17Å; M124-R128 HydrophobicContact SD-CB 4.37Å; M124-R128 HydrophobicContact SD-CG 4.28Å |
| 125 | G | 70.3 | Confident | 79.1 | Confident | 0 Ų | 0 | 45.1 Ų | 45.1 | 0% | 0 | 24% | 0.238 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -67.5 | 123 | 168 | 0 | 0 | 0 | 0 | 0 | 110.7 | V36 I92 S93 G94 R95 | V36-G125 WeakPolarHBondContact O-CA 3.46Å; I92-G125 WeakPolarHBondContact O-CA 3.04Å; S93-G125 CarbonylContact C-O 3.56Å; S93-G125 WeakPolarHBondContact CA-O 3.29Å; G94-G125 PolarHBondContact N-O 3.03Å; R95-G125 PolarHBondContact O-N 3.29Å |
| 126 | G | 76 | Confident | 78.9 | Confident | 29 Ų | 29 | 43.4 Ų | 43.4 | 30% | 0.299 | 24% | 0.241 | S | C | . | . | S | Bend | trans | 102.3 | -120.9 | 179 | 0 | 0 | 0 | 0 | 0 | 113.9 | V36 M124 | V36-G126 PolarHBondContact O-N 3.36Å; V36-G126 VanDerWaalsContact O-N 3.15Å; M124-G126 PolarHBondContact O-N 3.17Å |
| 127 | S | 72.6 | Confident | 78.8 | Confident | 69 Ų | 69 | 43.6 Ų | 43.6 | 48% | 0.483 | 24% | 0.24 | S | C | . | . | trans | -135 | 140.5 | -176.5 | 73.5 | 0 | 0 | 0 | 0 | 113 | K224 | S127-K224 PolarHBondContact OG-NZ 2.98Å; S127-K224 VanDerWaalsContact OG-NZ 3.07Å | ||
| 128 | R | 77.4 | Confident | 78.8 | Confident | 44 Ų | 44 | 46.6 Ų | 46.6 | 17% | 0.166 | 25% | 0.254 | C | S | . | . | trans | -100.8 | 177.8 | 179.2 | -155.1 | 178 | -83.5 | -94.4 | 10.6 | 110.6 | V35 D122 M124 F159 K224 | V35-R128 HydrophobicContact CG1-CB 4.03Å; D122-R128 PolarHBondContact O-NH2 2.96Å; D122-R128 IonicContact OD1-CZ 2.7Å; D122-R128 IonicContact OD1-NH1 3.71Å; D122-R128 IonicContact OD1-NH2 3.86Å; D122-R128 PolarHBondContact OD1-NH2 2.92Å; M124-R128 HydrophobicContact SD-CB 4.37Å; M124-R128 HydrophobicContact SD-CG 4.28Å; R128-F159 HydrophobicContact CB-CB 3.94Å; R128-F159 HydrophobicContact CB-CD1 4.33Å; R128-F159 HydrophobicContact CB-CD2 3.72Å; R128-F159 HydrophobicContact CB-CE2 4.31Å; R128-F159 HydrophobicContact CB-CG 3.72Å; R128-F159 HydrophobicContact CG-CD2 4.17Å; R128-F159 HydrophobicContact CG-CE2 4.27Å; R128-K224 WeakPolarHBondContact O-CD 3.01Å; R128-K224 PolarHBondContact O-NZ 2.89Å | ||
| 129 | A | 76.9 | Confident | 78.7 | Confident | 35 Ų | 35 | 43.7 Ų | 43.7 | 29% | 0.289 | 24% | 0.24 | S | C | . | . | trans | -92.7 | 163.5 | 165 | 0 | 0 | 0 | 0 | 0 | 109 | F159 K224 T226 | A129-F159 WeakPolarHBondContact O-CD2 3.42Å; A129-F159 VanDerWaalsContact O-CE2 3.32Å; A129-F159 WeakPolarHBondContact O-CE2 3.46Å; A129-K224 HydrophobicContact CB-CB 4.15Å; A129-K224 HydrophobicContact CB-CD 4.01Å; A129-T226 HydrophobicContact CB-CG2 4.23Å | ||
| 130 | P | 80.9 | Confident | 78.4 | Confident | 4 Ų | 4 | 47.2 Ų | 47.2 | 3% | 0.026 | 27% | 0.265 | C | S | . | . | trans | -59.6 | 152.1 | 178.6 | 25.4 | -34.8 | 0 | 0 | 0 | 112.1 | A156 V157 I167 E221 T226 | P130-A156 HydrophobicContact CB-CB 4.43Å; P130-V157 CarbonylContact C-O 3.56Å; P130-V157 WeakPolarHBondContact CA-O 3.49Å; P130-I167 HydrophobicContact CB-CD1 3.95Å; P130-E221 WeakPolarHBondContact CD-OE2 3.32Å; P130-E221 HydrophobicContact CG-CB 3.94Å; P130-T226 VanDerWaalsContact O-CG2 3.29Å; P130-T226 WeakPolarHBondContact O-CG2 3.48Å; P130-T226 PolarHBondContact O-OG1 3.49Å | ||
| 131 | Q | 81.9 | Confident | 78.3 | Confident | 19 Ų | 19 | 44.9 Ų | 44.9 | 9% | 0.089 | 25% | 0.251 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.3 | 125.3 | 179.7 | 167.3 | 178.2 | 15 | 0 | 0 | 110 | P31 L33 A156 V157 F159 | P31-Q131 PolarHBondContact O-NE2 2.78Å; L33-Q131 HydrophobicContact CD1-CB 4.46Å; L33-Q131 HydrophobicContact CD1-CG 4.34Å; L33-Q131 VanDerWaalsContact CD1-OE1 3.28Å; L33-Q131 VanDerWaalsContact CG-OE1 3.28Å; Q131-A156 CarbonylContact O-C 3.54Å; Q131-A156 WeakPolarHBondContact O-CA 3.23Å; Q131-A156 WeakPolarHBondContact O-CB 3.42Å; Q131-V157 PolarHBondContact N-O 2.92Å; Q131-V157 PolarHBondContact O-N 2.89Å; Q131-F159 HydrophobicContact CB-CE2 3.7Å; Q131-F159 HydrophobicContact CB-CZ 3.98Å |
| 132 | F | 83.7 | Confident | 78.2 | Confident | 15 Ų | 15 | 51.3 Ų | 51.3 | 7% | 0.066 | 28% | 0.276 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -66.3 | 152.5 | 167.2 | -72.5 | -75.9 | 0 | 0 | 0 | 111.9 | Q134 I154 K155 A156 Y169 A217 A219 T226 V228 | F132-Q134 WeakPolarHBondContact CB-O 3.35Å; F132-Q134 PolarHBondContact O-N 3.02Å; F132-I154 HydrophobicContact CD1-CG2 3.9Å; F132-I154 HydrophobicContact CE1-CG2 3.63Å; F132-K155 WeakPolarHBondContact CA-O 3.42Å; F132-K155 WeakPolarHBondContact CD1-O 3.42Å; F132-A156 HydrophobicContact CD1-CB 3.99Å; F132-A156 HydrophobicContact CE1-CB 4.34Å; F132-A156 HydrophobicContact CG-CB 4.38Å; F132-Y169 HydrophobicContact CE1-CD1 4.4Å; F132-Y169 HydrophobicContact CE1-CE1 4.29Å; F132-A217 WeakPolarHBondContact CZ-O 3.47Å; F132-A219 HydrophobicContact CD1-CB 4.48Å; F132-A219 HydrophobicContact CE1-CB 3.6Å; F132-A219 HydrophobicContact CE2-CB 3.91Å; F132-A219 HydrophobicContact CZ-CB 3.28Å; F132-T226 WeakPolarHBondContact CE2-O 3.27Å; F132-V228 HydrophobicContact CD1-CG1 3.92Å; F132-V228 HydrophobicContact CD2-CB 3.63Å; F132-V228 HydrophobicContact CD2-CG1 3.8Å; F132-V228 HydrophobicContact CD2-CG2 4.5Å; F132-V228 HydrophobicContact CE1-CG1 3.74Å; F132-V228 HydrophobicContact CE2-CB 3.65Å; F132-V228 HydrophobicContact CE2-CG1 3.58Å; F132-V228 HydrophobicContact CG-CB 4.08Å; F132-V228 HydrophobicContact CG-CG1 3.94Å; F132-V228 HydrophobicContact CZ-CB 4.16Å; F132-V228 HydrophobicContact CZ-CG1 3.54Å |
| 133 | F | 75.3 | Confident | 78.1 | Confident | 84 Ų | 84 | 50.9 Ų | 50.9 | 37% | 0.368 | 27% | 0.273 | S | S | . | . | S | Bend | trans | -68.5 | -14.9 | 176.9 | -85.1 | -106.1 | 0 | 0 | 0 | 114.1 | P29 K155 V157 | P29-F133 HydrophobicContact CB-CD1 4.1Å; P29-F133 HydrophobicContact CB-CE1 4.48Å; P29-F133 HydrophobicContact CB-CG 4.33Å; F133-K155 HydrophobicContact CD2-CB 3.93Å; F133-K155 HydrophobicContact CD2-CG 4.19Å; F133-K155 WeakPolarHBondContact CD2-O 3.23Å; F133-K155 HydrophobicContact CE2-CB 4.26Å; F133-K155 HydrophobicContact CE2-CD 4.17Å; F133-K155 HydrophobicContact CE2-CG 4.01Å; F133-K155 PolarHBondContact N-O 2.95Å; F133-V157 HydrophobicContact CD2-CG2 4.02Å; F133-V157 HydrophobicContact CE2-CG2 3.31Å; F133-V157 HydrophobicContact CZ-CG2 3.74Å |
| 134 | Q | 75.8 | Confident | 77.8 | Confident | 102 Ų | 102 | 55.7 Ų | 55.7 | 48% | 0.477 | 30% | 0.299 | S | S | . | . | S | Bend | trans | -142.6 | 150.4 | 177.8 | -67.9 | 179.1 | -34.4 | 0 | 0 | 110.3 | F132 S136 Y137 | F132-Q134 WeakPolarHBondContact CB-O 3.35Å; F132-Q134 PolarHBondContact O-N 3.02Å; Q134-S136 VanDerWaalsContact C-N 3.34Å; Q134-Y137 HydrophobicContact CB-CD2 4.49Å; Q134-Y137 HydrophobicContact CB-CE1 4.5Å; Q134-Y137 HydrophobicContact CB-CE2 4.06Å; Q134-Y137 VanDerWaalsContact OE1-CE1 3.25Å |
| 135 | D | 69.1 | Low | 77.7 | Confident | 131 Ų | 131 | 54 Ų | 54 | 70% | 0.701 | 29% | 0.293 | S | S | * | . | S | Bend | trans | -79.2 | -16.5 | 179.1 | -67.8 | -35.1 | 0 | 0 | 0 | 113.5 | V228 | D135-V228 WeakPolarHBondContact O-CG2 3.39Š|
| 136 | S | 73.4 | Confident | 77.9 | Confident | 61 Ų | 61 | 58.5 Ų | 58.5 | 43% | 0.427 | 32% | 0.321 | S | S | . | . | S | Bend | trans | -159.7 | 140.1 | 173.5 | 56.9 | 0 | 0 | 0 | 0 | 108.8 | Q134 | Q134-S136 VanDerWaalsContact C-N 3.34Š|
| 137 | Y | 78.9 | Confident | 77.9 | Confident | 15 Ų | 15 | 60.6 Ų | 60.6 | 6% | 0.059 | 33% | 0.328 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.9 | 123.6 | 170.9 | -68.5 | -102.8 | 0 | 0 | 0 | 108.5 | Q134 I154 K155 V228 P229 V230 D231 | Q134-Y137 HydrophobicContact CB-CD2 4.49Å; Q134-Y137 HydrophobicContact CB-CE1 4.5Å; Q134-Y137 HydrophobicContact CB-CE2 4.06Å; Q134-Y137 VanDerWaalsContact OE1-CE1 3.25Å; Y137-I154 HydrophobicContact CD1-CG1 4.08Å; Y137-I154 HydrophobicContact CD2-CG1 4.46Å; Y137-I154 HydrophobicContact CD2-CG2 4.19Å; Y137-I154 HydrophobicContact CE1-CB 4.43Å; Y137-I154 HydrophobicContact CE1-CG1 4.15Å; Y137-I154 HydrophobicContact CE1-CG2 4.47Å; Y137-I154 HydrophobicContact CE2-CG2 3.73Å; Y137-I154 HydrophobicContact CG-CG1 4.25Å; Y137-K155 PolarHBondContact OH-N 2.83Å; Y137-V228 HydrophobicContact CD2-CB 4.49Å; Y137-V228 HydrophobicContact CD2-CG1 3.88Å; Y137-V228 HydrophobicContact CD2-CG2 3.74Å; Y137-V228 HydrophobicContact CE2-CG1 3.91Å; Y137-V228 HydrophobicContact CE2-CG2 3.96Å; Y137-P229 PolarHBondContact N-O 2.82Å; Y137-V230 CarbonylContact O-C 3.48Å; Y137-V230 VanDerWaalsContact O-CA 3.31Å; Y137-V230 WeakPolarHBondContact O-CA 3.27Å; Y137-D231 PolarHBondContact O-N 3Å |
| 138 | Q | 78.7 | Confident | 78.1 | Confident | 157 Ų | 157 | 61 Ų | 61 | 73% | 0.734 | 33% | 0.331 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -114.1 | 129.5 | 163.4 | -63.3 | -165.7 | -59.6 | 0 | 0 | 107 | D231 | Q138-D231 WeakPolarHBondContact CA-O 3.35Å; Q138-D231 HydrophobicContact CG-CB 4.3Å |
| 139 | V | 79.7 | Confident | 78.1 | Confident | 27 Ų | 27 | 60 Ų | 60 | 16% | 0.164 | 33% | 0.333 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -132 | 146.4 | -175.1 | -165.5 | 0 | 0 | 0 | 0 | 108.7 | I151 A152 D231 I232 G233 | V139-I151 HydrophobicContact CG1-CG2 3.7Å; V139-A152 HydrophobicContact CG1-CB 4.48Å; V139-A152 HydrophobicContact CG2-CB 3.99Å; V139-D231 PolarHBondContact N-O 3.13Å; V139-I232 CarbonylContact O-C 3.05Å; V139-I232 VanDerWaalsContact O-CA 3.27Å; V139-I232 WeakPolarHBondContact O-CA 3.38Å; V139-G233 PolarHBondContact O-N 3.5Å |
| 140 | S | 78.4 | Confident | 78.1 | Confident | 78 Ų | 78 | 62.5 Ų | 62.5 | 55% | 0.545 | 35% | 0.348 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.1 | 142.5 | 169.5 | -64.2 | 0 | 0 | 0 | 0 | 108.9 | G233 | S140-G233 WeakPolarHBondContact CA-O 3.48Å |
| 141 | V | 81.6 | Confident | 78.2 | Confident | 6 Ų | 6 | 63.7 Ų | 63.7 | 4% | 0.036 | 35% | 0.354 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.5 | 127.5 | 171.3 | 65.8 | 0 | 0 | 0 | 0 | 107.3 | A145 I151 L202 I232 G233 V234 L235 | V141-A145 HydrophobicContact CG2-CB 3.44Å; V141-A145 VanDerWaalsContact CG2-CB 3.44Å; V141-I151 HydrophobicContact CB-CD1 4.5Å; V141-I151 HydrophobicContact CG2-CD1 3.69Å; V141-L202 HydrophobicContact CB-CD1 4.48Å; V141-L202 HydrophobicContact CG1-CD1 3.44Å; V141-L202 VanDerWaalsContact CG1-CD1 3.44Å; V141-L202 HydrophobicContact CG2-CD1 4.19Å; V141-I232 HydrophobicContact CB-CG2 4.28Å; V141-I232 HydrophobicContact CG1-CG2 3.69Å; V141-G233 PolarHBondContact N-O 2.74Å; V141-V234 HydrophobicContact CG1-CG2 4.49Å; V141-V234 CarbonylContact O-C 3.55Å; V141-V234 VanDerWaalsContact O-CA 3.3Å; V141-V234 WeakPolarHBondContact O-CA 3.45Å; V141-L235 PolarHBondContact O-N 2.83Å |
| 142 | Y | 84 | Confident | 78.1 | Confident | 135 Ų | 135 | 63.8 Ų | 63.8 | 53% | 0.529 | 36% | 0.358 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -70.9 | 152.3 | 169.1 | -64.9 | -81.9 | 0 | 0 | 0 | 108.9 | D144 A145 L235 V237 | Y142-D144 VanDerWaalsContact C-N 3.29Å; Y142-D144 WeakPolarHBondContact CB-OD1 3.48Å; Y142-D144 PolarHBondContact O-N 3.01Å; Y142-A145 WeakPolarHBondContact O-CB 3.16Å; Y142-A145 PolarHBondContact O-N 3.02Å; Y142-L235 HydrophobicContact CD1-CB 3.7Å; Y142-L235 HydrophobicContact CD1-CD1 4Å; Y142-L235 HydrophobicContact CD1-CG 4.48Å; Y142-L235 HydrophobicContact CE1-CB 4.03Å; Y142-L235 HydrophobicContact CE1-CD1 3.63Å; Y142-L235 HydrophobicContact CE1-CG 4.5Å; Y142-L235 HydrophobicContact CE2-CD1 4.39Å; Y142-L235 HydrophobicContact CG-CB 4.4Å; Y142-V237 HydrophobicContact CD1-CG2 3.9Å; Y142-V237 HydrophobicContact CG-CG2 4.38Å |
| 143 | E | 81.6 | Confident | 78 | Confident | 11 Ų | 11 | 67.5 Ų | 67.5 | 5% | 0.051 | 38% | 0.375 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -65.8 | -32.1 | -176.1 | 65.7 | -161.8 | 102.2 | 0 | 0 | 114.1 | A145 L202 D203 Y204 V234 L235 D236 V237 | E143-A145 PolarHBondContact O-N 2.55Å; E143-L202 HydrophobicContact CB-CB 4.34Å; E143-L202 CarbonylContact O-C 3.57Å; E143-D203 WeakPolarHBondContact OE2-CA 3.37Å; E143-Y204 VanDerWaalsContact CD-CB 3.46Å; E143-Y204 WeakPolarHBondContact OE1-CB 3.46Å; E143-Y204 VanDerWaalsContact OE2-CB 3.27Å; E143-Y204 WeakPolarHBondContact OE2-CB 3.36Å; E143-Y204 PolarHBondContact OE2-N 2.83Å; E143-V234 HydrophobicContact CB-CG1 4.22Å; E143-L235 PolarHBondContact N-O 3.04Å; E143-D236 WeakPolarHBondContact OE1-CA 3.3Å; E143-V237 HydrophobicContact CG-CB 4.11Å; E143-V237 HydrophobicContact CG-CG2 3.93Å; E143-V237 PolarHBondContact OE1-N 3.43Å |
| 144 | D | 78.8 | Confident | 78.3 | Confident | 101 Ų | 101 | 63.5 Ų | 63.5 | 54% | 0.54 | 36% | 0.358 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -65.7 | -10.6 | 176.1 | 75.9 | -31.9 | 0 | 0 | 0 | 114.1 | Y142 | Y142-D144 VanDerWaalsContact C-N 3.29Å; Y142-D144 WeakPolarHBondContact CB-OD1 3.48Å; Y142-D144 PolarHBondContact O-N 3.01Å |
| 145 | A | 76.2 | Confident | 78.5 | Confident | 12 Ų | 12 | 63 Ų | 63 | 10% | 0.099 | 35% | 0.354 | C | S | . | . | P | Polyproline II helix | trans | -55.3 | 124.2 | -172.7 | 0 | 0 | 0 | 0 | 0 | 111.9 | V141 Y142 E143 L198 | V141-A145 HydrophobicContact CG2-CB 3.44Å; V141-A145 VanDerWaalsContact CG2-CB 3.44Å; Y142-A145 WeakPolarHBondContact O-CB 3.16Å; Y142-A145 PolarHBondContact O-N 3.02Å; E143-A145 PolarHBondContact O-N 2.55Å; A145-L198 HydrophobicContact CB-CD2 3.94Å; A145-L198 WeakPolarHBondContact O-CD2 3.36Å |
| 146 | P | 74.2 | Confident | 79.1 | Confident | 93 Ų | 93 | 57.2 Ų | 57.2 | 60% | 0.604 | 33% | 0.325 | S | S | * | . | P | Polyproline II helix | trans | -69.4 | 147 | -169.4 | 23.4 | -32.2 | 0 | 0 | 0 | 112.7 | S148 A149 | P146-S148 PolarHBondContact O-N 2.89Å; P146-A149 HydrophobicContact CG-CB 4.26Å; P146-A149 WeakPolarHBondContact O-CB 3.43Å; P146-A149 PolarHBondContact O-N 2.81Å |
| 147 | V | 77.2 | Confident | 79.1 | Confident | 73 Ų | 73 | 56.7 Ų | 56.7 | 44% | 0.442 | 32% | 0.318 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -60.7 | 134.8 | 177.6 | 179 | 0 | 0 | 0 | 0 | 110.3 | Q201 | V147-Q201 HydrophobicContact CG2-CB 4.1Š|
| 148 | S | 76.9 | Confident | 78.8 | Confident | 77 Ų | 77 | 57.5 Ų | 57.5 | 54% | 0.538 | 33% | 0.326 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 80 | -0.6 | -167.8 | -37.8 | 0 | 0 | 0 | 0 | 116.2 | P146 H197 L198 | P146-S148 PolarHBondContact O-N 2.89Å; S148-H197 PolarHBondContact O-ND1 2.77Å; S148-L198 WeakPolarHBondContact CA-O 3.43Å; S148-L198 PolarHBondContact N-O 3.12Å |
| 149 | A | 76.7 | Confident | 78.4 | Confident | 25 Ų | 25 | 51.3 Ų | 51.3 | 21% | 0.207 | 30% | 0.297 | C | S | . | . | trans | -53.1 | 139.9 | 176.7 | 0 | 0 | 0 | 0 | 0 | 112.7 | P146 I151 H197 L198 | P146-A149 HydrophobicContact CG-CB 4.26Å; P146-A149 WeakPolarHBondContact O-CB 3.43Å; P146-A149 PolarHBondContact O-N 2.81Å; A149-I151 HydrophobicContact CB-CD1 4.01Å; A149-I151 PolarHBondContact O-N 3.12Å; A149-H197 VanDerWaalsContact O-CA 3.29Å; A149-H197 WeakPolarHBondContact O-CA 3.25Å; A149-L198 PolarHBondContact O-N 2.94Å | ||
| 150 | S | 77.1 | Confident | 77.8 | Confident | 86 Ų | 86 | 56.2 Ų | 56.2 | 60% | 0.601 | 31% | 0.313 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -82.9 | 97.6 | 177.4 | -59.9 | 0 | 0 | 0 | 0 | 110.1 | L196 H197 | S150-L196 CarbonylContact C-O 3.25Å; S150-H197 PolarHBondContact OG-CE1 2.9Å; S150-H197 VanDerWaalsContact OG-CE1 3.25Å |
| 151 | I | 82.3 | Confident | 76.7 | Confident | 30 Ų | 30 | 60.7 Ų | 60.7 | 15% | 0.154 | 33% | 0.33 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -77.8 | -37.2 | -170.6 | -58.3 | -53.8 | 0 | 0 | 0 | 112.7 | V139 V141 A149 F187 L196 L198 | V139-I151 HydrophobicContact CG1-CG2 3.7Å; V141-I151 HydrophobicContact CB-CD1 4.5Å; V141-I151 HydrophobicContact CG2-CD1 3.69Å; A149-I151 HydrophobicContact CB-CD1 4.01Å; A149-I151 PolarHBondContact O-N 3.12Å; I151-F187 HydrophobicContact CG1-CD1 4.46Å; I151-F187 HydrophobicContact CG1-CE1 4.23Å; I151-L196 HydrophobicContact CB-CD2 4.08Å; I151-L196 HydrophobicContact CB-CG 4.28Å; I151-L196 HydrophobicContact CG2-CD2 3.95Å; I151-L196 PolarHBondContact N-O 3.42Å; I151-L198 HydrophobicContact CD1-CB 4Å; I151-L198 HydrophobicContact CG1-CB 3.86Å |
| 152 | A | 79.9 | Confident | 75.5 | Confident | 20 Ų | 20 | 63.7 Ų | 63.7 | 17% | 0.165 | 35% | 0.347 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -162.5 | 151.3 | 174.8 | 0 | 0 | 0 | 0 | 0 | 112.3 | V139 V195 L196 | V139-A152 HydrophobicContact CG1-CB 4.48Å; V139-A152 HydrophobicContact CG2-CB 3.99Å; A152-V195 CarbonylContact O-C 3.54Å; A152-V195 WeakPolarHBondContact O-CA 3.13Å; A152-L196 HydrophobicContact CB-CB 4.43Å; A152-L196 HydrophobicContact CB-CD2 4.29Å; A152-L196 WeakPolarHBondContact O-CB 3.22Å; A152-L196 PolarHBondContact O-N 3.14Å |
| 153 | Q | 81.3 | Confident | 74.2 | Confident | 93 Ų | 93 | 63 Ų | 63 | 44% | 0.435 | 36% | 0.358 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.2 | 110.6 | 165.5 | -174.4 | 171.6 | 68.4 | 0 | 0 | 111.2 | T193 V195 | Q153-T193 WeakPolarHBondContact CG-O 3.39Å; Q153-T193 PolarHBondContact NE2-O 2.77Å; Q153-V195 HydrophobicContact CB-CG2 4.21Å; Q153-V195 HydrophobicContact CG-CG2 4.1Å |
| 154 | I | 83.5 | Confident | 73.1 | Confident | 0 Ų | 0 | 71 Ų | 71 | 0% | 0 | 40% | 0.396 | C | S | . | . | trans | -93.4 | 112.5 | 177.7 | -56.9 | 177.9 | 0 | 0 | 0 | 108.6 | F132 Y137 Y169 I189 G194 A217 V228 V230 | F132-I154 HydrophobicContact CD1-CG2 3.9Å; F132-I154 HydrophobicContact CE1-CG2 3.63Å; Y137-I154 HydrophobicContact CD1-CG1 4.08Å; Y137-I154 HydrophobicContact CD2-CG1 4.46Å; Y137-I154 HydrophobicContact CD2-CG2 4.19Å; Y137-I154 HydrophobicContact CE1-CB 4.43Å; Y137-I154 HydrophobicContact CE1-CG1 4.15Å; Y137-I154 HydrophobicContact CE1-CG2 4.47Å; Y137-I154 HydrophobicContact CE2-CG2 3.73Å; Y137-I154 HydrophobicContact CG-CG1 4.25Å; I154-Y169 WeakPolarHBondContact O-CE1 3.44Å; I154-I189 HydrophobicContact CB-CD1 4.26Å; I154-I189 HydrophobicContact CD1-CD1 4.15Å; I154-G194 PolarHBondContact N-O 2.68Å; I154-G194 WeakPolarHBondContact O-CA 3.21Å; I154-A217 HydrophobicContact CD1-CB 3.73Å; I154-A217 HydrophobicContact CG2-CB 3.81Å; I154-V228 HydrophobicContact CG2-CG1 4.05Å; I154-V230 HydrophobicContact CD1-CG1 4.22Å; I154-V230 HydrophobicContact CD1-CG2 3.52Å | ||
| 155 | K | 79.7 | Confident | 72.3 | Confident | 91 Ų | 91 | 68 Ų | 68 | 40% | 0.396 | 38% | 0.381 | S | S | . | . | trans | -129.1 | 144.8 | -165.8 | -159.4 | 169.6 | -162.7 | 155.8 | 0 | 112.2 | F132 F133 Y137 | F132-K155 WeakPolarHBondContact CA-O 3.42Å; F132-K155 WeakPolarHBondContact CD1-O 3.42Å; F133-K155 HydrophobicContact CD2-CB 3.93Å; F133-K155 HydrophobicContact CD2-CG 4.19Å; F133-K155 WeakPolarHBondContact CD2-O 3.23Å; F133-K155 HydrophobicContact CE2-CB 4.26Å; F133-K155 HydrophobicContact CE2-CD 4.17Å; F133-K155 HydrophobicContact CE2-CG 4.01Å; F133-K155 PolarHBondContact N-O 2.95Å; Y137-K155 PolarHBondContact OH-N 2.83Å | ||
| 156 | A | 80.2 | Confident | 71.9 | Confident | 11 Ų | 11 | 74.7 Ų | 74.7 | 9% | 0.091 | 41% | 0.41 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.1 | 159.5 | 175.5 | 0 | 0 | 0 | 0 | 0 | 113.1 | P130 Q131 F132 I167 Y169 A219 | P130-A156 HydrophobicContact CB-CB 4.43Å; Q131-A156 CarbonylContact O-C 3.54Å; Q131-A156 WeakPolarHBondContact O-CA 3.23Å; Q131-A156 WeakPolarHBondContact O-CB 3.42Å; F132-A156 HydrophobicContact CD1-CB 3.99Å; F132-A156 HydrophobicContact CE1-CB 4.34Å; F132-A156 HydrophobicContact CG-CB 4.38Å; A156-I167 HydrophobicContact CB-CD1 4.06Å; A156-Y169 HydrophobicContact CB-CE1 4.11Å; A156-Y169 PolarHBondContact N-OH 3.45Å; A156-A219 HydrophobicContact CB-CB 4.01Å |
| 157 | V | 75 | Confident | 72.2 | Confident | 49 Ų | 49 | 71.5 Ų | 71.5 | 30% | 0.297 | 39% | 0.388 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.9 | 128 | -179.9 | -175.5 | 0 | 0 | 0 | 0 | 109.3 | P29 P130 Q131 F133 | P29-V157 HydrophobicContact CG-CG2 4.28Å; P130-V157 CarbonylContact C-O 3.56Å; P130-V157 WeakPolarHBondContact CA-O 3.49Å; Q131-V157 PolarHBondContact N-O 2.92Å; Q131-V157 PolarHBondContact O-N 2.89Å; F133-V157 HydrophobicContact CD2-CG2 4.02Å; F133-V157 HydrophobicContact CE2-CG2 3.31Å; F133-V157 HydrophobicContact CZ-CG2 3.74Å |
| 158 | S | 71.6 | Confident | 72.4 | Confident | 32 Ų | 32 | 69.7 Ų | 69.7 | 22% | 0.224 | 38% | 0.38 | C | S | . | . | trans | -80.9 | 151 | 171 | 170.4 | 0 | 0 | 0 | 0 | 111.1 | R160 E221 | S158-R160 PolarHBondContact OG-N 3.43Å; S158-E221 PolarHBondContact OG-OE1 2.93Å; S158-E221 PolarHBondContact OG-OE2 2.74Å; S158-E221 VanDerWaalsContact OG-OE2 3.12Å | ||
| 159 | F | 70.9 | Confident | 72.8 | Confident | 28 Ų | 28 | 66.9 Ų | 66.9 | 12% | 0.123 | 36% | 0.358 | C | S | . | . | S | Bend | trans | -102.8 | 11.9 | 170.7 | -62.6 | -93.5 | 0 | 0 | 0 | 113 | L33 V35 R128 A129 Q131 | L33-F159 HydrophobicContact CB-CE1 3.93Å; L33-F159 HydrophobicContact CB-CZ 3.76Å; L33-F159 HydrophobicContact CD1-CZ 4.38Å; V35-F159 HydrophobicContact CG1-CB 4.04Å; V35-F159 HydrophobicContact CG1-CD1 4.09Å; V35-F159 HydrophobicContact CG1-CG 4.34Å; V35-F159 HydrophobicContact CG2-CB 4.44Å; R128-F159 HydrophobicContact CB-CB 3.94Å; R128-F159 HydrophobicContact CB-CD1 4.33Å; R128-F159 HydrophobicContact CB-CD2 3.72Å; R128-F159 HydrophobicContact CB-CE2 4.31Å; R128-F159 HydrophobicContact CB-CG 3.72Å; R128-F159 HydrophobicContact CG-CD2 4.17Å; R128-F159 HydrophobicContact CG-CE2 4.27Å; A129-F159 WeakPolarHBondContact O-CD2 3.42Å; A129-F159 VanDerWaalsContact O-CE2 3.32Å; A129-F159 WeakPolarHBondContact O-CE2 3.46Å; Q131-F159 HydrophobicContact CB-CE2 3.7Å; Q131-F159 HydrophobicContact CB-CZ 3.98Å |
| 160 | R | 65.6 | Low | 73.2 | Confident | 129 Ų | 129 | 67.1 Ų | 67.1 | 49% | 0.487 | 36% | 0.358 | S | S | . | . | trans | -93.9 | 122.5 | 166.7 | -66.2 | 178 | 106.9 | 174.7 | -1.1 | 108.8 | S158 D162 E221 | S158-R160 PolarHBondContact OG-N 3.43Å; R160-D162 HydrophobicContact CB-CB 4.15Å; R160-D162 PolarHBondContact O-N 3.05Å; R160-E221 WeakPolarHBondContact CD-OE1 3.37Å; R160-E221 WeakPolarHBondContact CG-OE1 3.2Å | ||
| 161 | N | 55.3 | Low | 73.6 | Confident | 172 Ų | 172 | 63.4 Ų | 63.4 | 92% | 0.92 | 33% | 0.331 | S | S | * | . | trans | -78.1 | 53.1 | 165.6 | -70.9 | 4.8 | 0 | 0 | 0 | 110.3 | ||||
| 162 | D | 56.9 | Low | 73.3 | Confident | 70 Ų | 70 | 65.2 Ų | 65.2 | 37% | 0.374 | 34% | 0.337 | S | S | . | . | trans | -131.1 | 97.1 | -177.4 | -170.4 | -11.9 | 0 | 0 | 0 | 108.8 | R160 E164 V165 | R160-D162 HydrophobicContact CB-CB 4.15Å; R160-D162 PolarHBondContact O-N 3.05Å; D162-E164 PolarHBondContact O-N 3.09Å; D162-V165 HydrophobicContact CB-CG2 4.22Å; D162-V165 PolarHBondContact O-N 3.21Å; D162-V165 VanDerWaalsContact O-N 3.17Å | ||
| 163 | P | 57.9 | Low | 73.1 | Confident | 120 Ų | 120 | 67.9 Ų | 67.9 | 78% | 0.779 | 35% | 0.346 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -73.1 | -7.1 | -167.9 | 30.2 | -36 | 0 | 0 | 0 | 114.4 | V165 | P163-V165 VanDerWaalsContact C-N 3.31Š|
| 164 | E | 57.8 | Low | 72.3 | Confident | 179 Ų | 179 | 67.3 Ų | 67.3 | 84% | 0.836 | 35% | 0.346 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -78.5 | -16.3 | 172.1 | -64.4 | -169.6 | 175.5 | 0 | 0 | 112.4 | D162 Q166 | D162-E164 PolarHBondContact O-N 3.09Å; E164-Q166 PolarHBondContact O-N 3.19Å |
| 165 | V | 61.3 | Low | 70.9 | Confident | 38 Ų | 38 | 70 Ų | 70 | 23% | 0.23 | 36% | 0.364 | C | S | . | . | trans | -93.5 | 97.4 | -177.8 | -171 | 0 | 0 | 0 | 0 | 110.5 | D162 P163 E221 | D162-V165 HydrophobicContact CB-CG2 4.22Å; D162-V165 PolarHBondContact O-N 3.21Å; D162-V165 VanDerWaalsContact O-N 3.17Å; P163-V165 VanDerWaalsContact C-N 3.31Å; V165-E221 HydrophobicContact CG1-CG 3.59Å | ||
| 166 | Q | 69.5 | Low | 69.7 | Low | 152 Ų | 152 | 75.4 Ų | 75.4 | 71% | 0.71 | 39% | 0.391 | S | S | * | . | P | Polyproline II helix | trans | -86.4 | 154.7 | 176.6 | -62.1 | -174 | -1.1 | 0 | 0 | 112.4 | E164 | E164-Q166 PolarHBondContact O-N 3.19Š|
| 167 | I | 79.9 | Confident | 67.9 | Low | 27 Ų | 27 | 78.5 Ų | 78.5 | 14% | 0.138 | 41% | 0.412 | C | S | . | . | P | Polyproline II helix | trans | -94.7 | 128.9 | 173.5 | -56.5 | 175.5 | 0 | 0 | 0 | 108.2 | P130 A156 Y169 A219 T220 E221 | P130-I167 HydrophobicContact CB-CD1 3.95Å; A156-I167 HydrophobicContact CB-CD1 4.06Å; I167-Y169 HydrophobicContact CG2-CE1 4.16Å; I167-Y169 HydrophobicContact CG2-CE2 4.32Å; I167-A219 HydrophobicContact CG2-CB 3.94Å; I167-T220 WeakPolarHBondContact CA-O 3.44Å; I167-E221 HydrophobicContact CG1-CB 4.47Å |
| 168 | A | 80.8 | Confident | 66.7 | Low | 34 Ų | 34 | 82.1 Ų | 82.1 | 28% | 0.281 | 44% | 0.44 | S | S | . | . | B | Isolated β-bridge | trans | -99.6 | 139.4 | 171.1 | 0 | 0 | 0 | 0 | 0 | 111 | E191 V218 A219 T220 | A168-E191 CarbonylContact C-O 3.53Å; A168-E191 WeakPolarHBondContact CA-O 3.13Å; A168-E191 HydrophobicContact CB-CG 4.1Å; A168-V218 VanDerWaalsContact O-O 3.07Å; A168-A219 CarbonylContact O-C 3.58Å; A168-A219 WeakPolarHBondContact O-CA 3.5Å; A168-T220 PolarHBondContact N-O 3.45Å; A168-T220 PolarHBondContact O-N 2.94Å |
| 169 | Y | 86.5 | Confident | 65.7 | Low | 19 Ų | 19 | 86.6 Ų | 86.6 | 8% | 0.075 | 47% | 0.465 | C | S | . | . | trans | -107.5 | 154.7 | 178.8 | -57.8 | -84.4 | 0 | 0 | 0 | 111.4 | F132 I154 A156 I167 E191 V218 A219 | F132-Y169 HydrophobicContact CE1-CD1 4.4Å; F132-Y169 HydrophobicContact CE1-CE1 4.29Å; I154-Y169 WeakPolarHBondContact O-CE1 3.44Å; A156-Y169 HydrophobicContact CB-CE1 4.11Å; A156-Y169 PolarHBondContact N-OH 3.45Å; I167-Y169 HydrophobicContact CG2-CE1 4.16Å; I167-Y169 HydrophobicContact CG2-CE2 4.32Å; Y169-E191 PolarHBondContact N-O 3.25Å; Y169-E191 WeakPolarHBondContact O-CA 3.19Å; Y169-V218 CarbonylContact C-O 3.58Å; Y169-V218 WeakPolarHBondContact CA-O 3.46Å; Y169-A219 HydrophobicContact CD1-CB 4.18Å; Y169-A219 HydrophobicContact CE1-CB 4.13Å | ||
| 170 | S | 83.1 | Confident | 64.4 | Low | 30 Ų | 30 | 91.1 Ų | 91.1 | 21% | 0.21 | 49% | 0.491 | C | S | . | . | trans | -158.9 | 155.1 | 177.2 | 49.8 | 0 | 0 | 0 | 0 | 110.8 | W172 I189 A217 V218 | S170-W172 PolarHBondContact OG-NE1 3.39Å; S170-I189 VanDerWaalsContact C-CG2 3.5Å; S170-A217 CarbonylContact O-C 3.13Å; S170-A217 WeakPolarHBondContact O-CA 3.01Å; S170-V218 PolarHBondContact N-O 3.34Å; S170-V218 WeakPolarHBondContact O-CA 3.32Å; S170-V218 PolarHBondContact O-N 2.94Å; S170-V218 WeakPolarHBondContact OG-CA 3.43Å; S170-V218 PolarHBondContact OG-O 3.44Å | ||
| 171 | L | 86.1 | Confident | 63.7 | Low | 7 Ų | 7 | 95 Ų | 95 | 4% | 0.037 | 51% | 0.505 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126 | 136.2 | -176.3 | -171.2 | 74.5 | 0 | 0 | 0 | 110.6 | P184 F187 I189 L196 F215 A217 | L171-P184 HydrophobicContact CD2-CG 3.9Å; L171-P184 HydrophobicContact CG-CG 4.2Å; L171-F187 HydrophobicContact CD2-CB 4.26Å; L171-I189 HydrophobicContact CB-CB 3.99Å; L171-I189 HydrophobicContact CB-CG2 3.58Å; L171-L196 HydrophobicContact CD1-CD1 4.25Å; L171-L196 HydrophobicContact CD2-CD1 3.46Å; L171-L196 VanDerWaalsContact CD2-CD1 3.46Å; L171-L196 HydrophobicContact CG-CD1 4.48Å; L171-F215 HydrophobicContact CD1-CB 3.7Å; L171-F215 HydrophobicContact CD1-CD2 4.38Å; L171-F215 HydrophobicContact CD1-CG 4.31Å; L171-F215 HydrophobicContact CD2-CD2 4.17Å; L171-F215 HydrophobicContact CD2-CG 4.45Å; L171-F215 HydrophobicContact CG-CB 4.14Å; L171-F215 HydrophobicContact CG-CG 4.39Å; L171-A217 HydrophobicContact CD1-CB 4.43Å |
| 172 | W | 76.7 | Confident | 63.8 | Low | 69 Ų | 69 | 93.1 Ų | 93.1 | 26% | 0.261 | 49% | 0.489 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -138.6 | 142.6 | -173.3 | -46.8 | 90.8 | 0 | 0 | 0 | 111.1 | S170 R181 K182 T183 F215 K216 | S170-W172 PolarHBondContact OG-NE1 3.39Å; W172-R181 HydrophobicContact CE3-CB 3.78Å; W172-R181 HydrophobicContact CE3-CG 4.47Å; W172-R181 HydrophobicContact CZ3-CB 3.7Å; W172-R181 HydrophobicContact CZ3-CG 4.5Å; W172-K182 WeakPolarHBondContact CA-O 3.19Å; W172-T183 HydrophobicContact CZ3-CG2 4.46Å; W172-F215 CarbonylContact O-C 3.5Å; W172-F215 VanDerWaalsContact O-CA 3.27Å; W172-F215 WeakPolarHBondContact O-CA 3.45Å; W172-F215 WeakPolarHBondContact O-CB 3.38Å; W172-K216 PolarHBondContact N-O 3.49Å; W172-K216 PolarHBondContact O-N 2.81Å |
| 173 | E | 75.2 | Confident | 64 | Low | 76 Ų | 76 | 94.1 Ų | 94.1 | 36% | 0.355 | 50% | 0.498 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -64.1 | 135.6 | 170.7 | -64.7 | -176.1 | 145.1 | 0 | 0 | 111.1 | S175 K182 P184 | E173-S175 PolarHBondContact O-N 2.95Å; E173-K182 HydrophobicContact CG-CB 4.32Å; E173-K182 PolarHBondContact N-O 3.15Å; E173-K182 VanDerWaalsContact N-O 3.16Å; E173-K182 WeakPolarHBondContact OE2-CB 3.33Å; E173-K182 WeakPolarHBondContact OE2-CD 3.47Å; E173-P184 HydrophobicContact CG-CB 4.49Å; E173-P184 HydrophobicContact CG-CG 4.14Å |
| 174 | D | 65.7 | Low | 64.4 | Low | 81 Ų | 81 | 88.8 Ų | 88.8 | 43% | 0.433 | 46% | 0.463 | S | S | . | . | trans | -80.3 | 58.6 | 178.2 | -161.2 | 14.8 | 0 | 0 | 0 | 113 | K214 K216 | D174-K214 PolarHBondContact N-O 3.36Å; D174-K216 VanDerWaalsContact CG-CE 3.45Å; D174-K216 WeakPolarHBondContact OD1-CE 3.46Å; D174-K216 IonicContact OD1-NZ 3.24Å; D174-K216 PolarHBondContact OD1-NZ 2.99Å; D174-K216 WeakPolarHBondContact OD2-CE 3.47Å; D174-K216 IonicContact OD2-NZ 2.79Å; D174-K216 PolarHBondContact OD2-NZ 3.02Å | ||
| 175 | S | 53.9 | Low | 65 | Low | 56 Ų | 56 | 87 Ų | 87 | 39% | 0.392 | 46% | 0.46 | S | S | . | . | trans | -83.4 | 142.5 | 179 | 73.6 | 0 | 0 | 0 | 0 | 112.4 | E173 S177 | E173-S175 PolarHBondContact O-N 2.95Å; S175-S177 PolarHBondContact O-N 3.46Å | ||
| 176 | Q | 53 | Low | 65.8 | Low | 204 Ų | 204 | 86.7 Ų | 86.7 | 95% | 0.953 | 46% | 0.457 | S | S | * | . | S | Bend | trans | -79.8 | 0.8 | -176.3 | -61 | -174.4 | 6.8 | 0 | 0 | 114.2 | ||
| 177 | S | 43.5 | Very low | 66.6 | Low | 77 Ų | 77 | 79.5 Ų | 79.5 | 54% | 0.538 | 42% | 0.423 | S | S | . | . | trans | -103.5 | 99 | -177 | 50.2 | 0 | 0 | 0 | 0 | 111.9 | S175 V179 | S175-S177 PolarHBondContact O-N 3.46Å; S177-V179 PolarHBondContact O-N 2.94Å | ||
| 178 | S | 50.4 | Low | 66.7 | Low | 125 Ų | 125 | 81 Ų | 81 | 87% | 0.874 | 43% | 0.434 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -76.5 | 38.9 | -166.3 | 72.2 | 0 | 0 | 0 | 0 | 116.6 | ||
| 179 | V | 49.7 | Very low | 66.9 | Low | 126 Ų | 126 | 80.8 Ų | 80.8 | 76% | 0.764 | 43% | 0.427 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -124.8 | -46.1 | -177.1 | -176.8 | 0 | 0 | 0 | 0 | 112.4 | S177 | S177-V179 PolarHBondContact O-N 2.94Š|
| 180 | D | 44.5 | Very low | 66.6 | Low | 123 Ų | 123 | 82.6 Ų | 82.6 | 66% | 0.658 | 44% | 0.438 | S | S | * | . | trans | -102.2 | 109.5 | 179.1 | -65.7 | -45.6 | 0 | 0 | 0 | 110.9 | K182 | D180-K182 PolarHBondContact O-N 2.86Š| ||
| 181 | R | 50.2 | Low | 66.4 | Low | 210 Ų | 210 | 87.3 Ų | 87.3 | 79% | 0.792 | 46% | 0.457 | S | S | * | . | trans | -81.5 | 101.3 | 173 | -69.2 | -172.9 | -176.4 | -178 | 1.3 | 110 | W172 | W172-R181 HydrophobicContact CE3-CB 3.78Å; W172-R181 HydrophobicContact CE3-CG 4.47Å; W172-R181 HydrophobicContact CZ3-CB 3.7Å; W172-R181 HydrophobicContact CZ3-CG 4.5Å | ||
| 182 | K | 56.5 | Low | 65.8 | Low | 132 Ų | 132 | 96.4 Ų | 96.4 | 57% | 0.574 | 49% | 0.491 | S | S | * | . | P | Polyproline II helix | trans | -89.7 | 135.5 | 171.6 | -75.7 | -177 | 171.9 | -172 | 0 | 112.4 | W172 E173 D180 | W172-K182 WeakPolarHBondContact CA-O 3.19Å; E173-K182 HydrophobicContact CG-CB 4.32Å; E173-K182 PolarHBondContact N-O 3.15Å; E173-K182 VanDerWaalsContact N-O 3.16Å; E173-K182 WeakPolarHBondContact OE2-CB 3.33Å; E173-K182 WeakPolarHBondContact OE2-CD 3.47Å; D180-K182 PolarHBondContact O-N 2.86Å |
| 183 | T | 61.6 | Low | 66.1 | Low | 91 Ų | 91 | 95.9 Ų | 95.9 | 56% | 0.558 | 50% | 0.495 | S | S | * | . | P | Polyproline II helix | trans | -78.1 | 143.2 | 155.6 | 46.5 | 0 | 0 | 0 | 0 | 109 | W172 | W172-T183 HydrophobicContact CZ3-CG2 4.46Š|
| 184 | P | 67.7 | Low | 66.4 | Low | 9 Ų | 9 | 92.2 Ų | 92.2 | 6% | 0.058 | 48% | 0.478 | C | S | . | . | P | Polyproline II helix | trans | -63.4 | 151.1 | 173 | -18.8 | 32.8 | 0 | 0 | 0 | 111.6 | L171 E173 F215 | L171-P184 HydrophobicContact CD2-CG 3.9Å; L171-P184 HydrophobicContact CG-CG 4.2Å; E173-P184 HydrophobicContact CG-CB 4.49Å; E173-P184 HydrophobicContact CG-CG 4.14Å; P184-F215 HydrophobicContact CB-CD1 4.22Å; P184-F215 HydrophobicContact CB-CE1 3.56Å; P184-F215 HydrophobicContact CB-CZ 3.72Å; P184-F215 HydrophobicContact CG-CD1 3.47Å; P184-F215 VanDerWaalsContact CG-CD1 3.47Å; P184-F215 HydrophobicContact CG-CD2 4.44Å; P184-F215 HydrophobicContact CG-CE1 3.34Å; P184-F215 HydrophobicContact CG-CE2 4.32Å; P184-F215 HydrophobicContact CG-CG 4.04Å; P184-F215 HydrophobicContact CG-CZ 3.8Å |
| 185 | N | 68.7 | Low | 67.3 | Low | 142 Ų | 142 | 89.5 Ų | 89.5 | 76% | 0.759 | 46% | 0.464 | S | S | * | . | S | Bend | trans | -79.8 | -43.4 | 171.9 | -76.4 | -3.2 | 0 | 0 | 0 | 111.6 | F187 M199 | N185-F187 VanDerWaalsContact C-N 3.34Å; N185-F187 PolarHBondContact O-N 3.44Å; N185-M199 WeakPolarHBondContact O-CB 3.46Å |
| 186 | D | 78.8 | Confident | 68.7 | Low | 31 Ų | 31 | 86.8 Ų | 86.8 | 17% | 0.166 | 45% | 0.446 | C | S | . | . | S | Bend | trans | -82.7 | -11.9 | -168.9 | -55.6 | -21.8 | 0 | 0 | 0 | 112.8 | M199 K200 Y213 | D186-M199 PolarHBondContact O-N 3.35Å; D186-K200 HydrophobicContact CB-CB 4.44Å; D186-K200 VanDerWaalsContact OD1-CD 3.32Å; D186-K200 WeakPolarHBondContact OD1-CD 3.45Å; D186-Y213 HydrophobicContact CB-CE1 4.15Å; D186-Y213 VanDerWaalsContact OD2-CE1 3.23Å; D186-Y213 WeakPolarHBondContact OD2-CE1 3.34Å; D186-Y213 PolarHBondContact OD2-OH 2.91Å |
| 187 | F | 85.4 | Confident | 70.1 | Confident | 1 Ų | 1 | 79.5 Ų | 79.5 | 0% | 0.004 | 41% | 0.411 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -142.8 | 137.6 | 179.4 | -61.4 | -95.7 | 0 | 0 | 0 | 112.2 | I151 L171 N185 L196 H197 L198 L202 Y213 F215 I232 | I151-F187 HydrophobicContact CG1-CD1 4.46Å; I151-F187 HydrophobicContact CG1-CE1 4.23Å; L171-F187 HydrophobicContact CD2-CB 4.26Å; N185-F187 VanDerWaalsContact C-N 3.34Å; N185-F187 PolarHBondContact O-N 3.44Å; F187-L196 HydrophobicContact CB-CD1 4.15Å; F187-H197 CarbonylContact C-O 3.55Å; F187-H197 VanDerWaalsContact CA-O 3.25Å; F187-H197 WeakPolarHBondContact CA-O 3.38Å; F187-L198 HydrophobicContact CD1-CD1 4.02Å; F187-L198 HydrophobicContact CE1-CB 4.47Å; F187-L198 HydrophobicContact CE1-CD1 3.45Å; F187-L198 VanDerWaalsContact CE1-CD1 3.45Å; F187-L198 HydrophobicContact CE2-CD1 4.25Å; F187-L198 HydrophobicContact CZ-CD1 3.59Å; F187-L202 HydrophobicContact CZ-CD1 4.33Å; F187-Y213 HydrophobicContact CD2-CD1 4.44Å; F187-Y213 HydrophobicContact CE2-CD1 4.06Å; F187-Y213 AromaticContact CE2-CD2 3.84Å; F187-Y213 HydrophobicContact CE2-CD2 3.84Å; F187-Y213 HydrophobicContact CE2-CE1 4.15Å; F187-Y213 AromaticContact CE2-CE2 3.97Å; F187-Y213 HydrophobicContact CE2-CE2 3.97Å; F187-Y213 AromaticContact CE2-CG 3.88Å; F187-Y213 HydrophobicContact CE2-CG 3.88Å; F187-Y213 HydrophobicContact CZ-CD2 4.38Å; F187-F215 HydrophobicContact CB-CE2 3.96Å; F187-F215 HydrophobicContact CB-CZ 4.4Å; F187-F215 AromaticContact CD2-CE2 3.55Å; F187-F215 HydrophobicContact CD2-CE2 3.55Å; F187-F215 AromaticContact CD2-CZ 3.66Å; F187-F215 HydrophobicContact CD2-CZ 3.66Å; F187-F215 HydrophobicContact CE2-CE2 4.21Å; F187-F215 HydrophobicContact CE2-CZ 4.33Å; F187-F215 AromaticContact CG-CE2 3.86Å; F187-F215 HydrophobicContact CG-CE2 3.86Å; F187-F215 HydrophobicContact CG-CZ 4.33Å; F187-I232 HydrophobicContact CD1-CD1 3.66Å; F187-I232 HydrophobicContact CD2-CD1 4.22Å; F187-I232 HydrophobicContact CE1-CD1 3.48Å; F187-I232 VanDerWaalsContact CE1-CD1 3.48Å; F187-I232 HydrophobicContact CE1-CG2 4.42Å; F187-I232 HydrophobicContact CE2-CD1 4.08Å; F187-I232 HydrophobicContact CG-CD1 4.03Å; F187-I232 HydrophobicContact CZ-CD1 3.71Å; F187-I232 HydrophobicContact CZ-CG2 4.21Å |
| 188 | T | 82 | Confident | 72 | Confident | 59 Ų | 59 | 75.8 Ų | 75.8 | 36% | 0.362 | 39% | 0.386 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.6 | 165.6 | 173.9 | 56.5 | 0 | 0 | 0 | 0 | 111.6 | L196 H197 M199 | T188-L196 CarbonylContact O-C 3.56Å; T188-L196 VanDerWaalsContact O-CA 3.29Å; T188-L196 WeakPolarHBondContact O-CA 3.35Å; T188-H197 PolarHBondContact N-O 2.75Å; T188-H197 PolarHBondContact O-N 3.31Å; T188-M199 HydrophobicContact CG2-CG 3.6Å; T188-M199 HydrophobicContact CG2-SD 3.91Å; T188-M199 PolarHBondContact OG1-SD 3.08Å |
| 189 | I | 85.7 | Confident | 73.1 | Confident | 29 Ų | 29 | 73.9 Ų | 73.9 | 15% | 0.149 | 36% | 0.364 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.2 | 138.6 | 171.3 | -159.6 | 175.7 | 0 | 0 | 0 | 110.9 | I154 S170 L171 E191 V195 | I154-I189 HydrophobicContact CB-CD1 4.26Å; I154-I189 HydrophobicContact CD1-CD1 4.15Å; S170-I189 VanDerWaalsContact C-CG2 3.5Å; L171-I189 HydrophobicContact CB-CB 3.99Å; L171-I189 HydrophobicContact CB-CG2 3.58Å; I189-E191 PolarHBondContact O-N 3.08Å; I189-V195 CarbonylContact C-O 3.59Å; I189-V195 VanDerWaalsContact CA-O 3.3Å; I189-V195 WeakPolarHBondContact CA-O 3.46Å; I189-V195 WeakPolarHBondContact CG1-O 3.41Å |
| 190 | D | 80.4 | Confident | 74.4 | Confident | 57 Ų | 57 | 72.1 Ų | 72.1 | 31% | 0.305 | 35% | 0.346 | S | S | . | . | trans | -69.2 | 122.3 | 171.3 | 177.8 | -30 | 0 | 0 | 0 | 110.5 | R192 T193 G194 V195 | D190-R192 PolarHBondContact O-N 3.18Å; D190-R192 WeakPolarHBondContact OD1-CA 3.49Å; D190-R192 PolarHBondContact OD1-N 3.13Å; D190-T193 VanDerWaalsContact CB-OG1 3.23Å; D190-T193 WeakPolarHBondContact CB-OG1 3.45Å; D190-T193 PolarHBondContact OD1-N 3.45Å; D190-T193 WeakPolarHBondContact OD2-CB 3.18Å; D190-T193 WeakPolarHBondContact OD2-CG2 3.33Å; D190-T193 PolarHBondContact OD2-OG1 2.87Å; D190-G194 WeakPolarHBondContact O-CA 3.36Å; D190-G194 PolarHBondContact O-N 3.26Å; D190-V195 PolarHBondContact N-O 3Å | ||
| 191 | E | 78.2 | Confident | 75.9 | Confident | 128 Ų | 128 | 72 Ų | 72 | 60% | 0.598 | 34% | 0.341 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -58.9 | -26.2 | -178.3 | -173.7 | -179.2 | -161.4 | 0 | 0 | 113.6 | A168 Y169 I189 | A168-E191 CarbonylContact C-O 3.53Å; A168-E191 WeakPolarHBondContact CA-O 3.13Å; A168-E191 HydrophobicContact CB-CG 4.1Å; Y169-E191 PolarHBondContact N-O 3.25Å; Y169-E191 WeakPolarHBondContact O-CA 3.19Å; I189-E191 PolarHBondContact O-N 3.08Å |
| 192 | R | 74.9 | Confident | 77.5 | Confident | 198 Ų | 198 | 62.4 Ų | 62.4 | 75% | 0.747 | 31% | 0.306 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -106.1 | -42.6 | -176.1 | -63.5 | -179.3 | 177.8 | -176.7 | -0.3 | 113.2 | D190 | D190-R192 PolarHBondContact O-N 3.18Å; D190-R192 WeakPolarHBondContact OD1-CA 3.49Å; D190-R192 PolarHBondContact OD1-N 3.13Å |
| 193 | T | 81.9 | Confident | 78.7 | Confident | 58 Ų | 58 | 58.8 Ų | 58.8 | 36% | 0.356 | 29% | 0.293 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -91.9 | -18.1 | -175.6 | 73.2 | 0 | 0 | 0 | 0 | 113.1 | Q153 D190 V195 | Q153-T193 WeakPolarHBondContact CG-O 3.39Å; Q153-T193 PolarHBondContact NE2-O 2.77Å; D190-T193 VanDerWaalsContact CB-OG1 3.23Å; D190-T193 WeakPolarHBondContact CB-OG1 3.45Å; D190-T193 PolarHBondContact OD1-N 3.45Å; D190-T193 WeakPolarHBondContact OD2-CB 3.18Å; D190-T193 WeakPolarHBondContact OD2-CG2 3.33Å; D190-T193 PolarHBondContact OD2-OG1 2.87Å; T193-V195 PolarHBondContact O-N 2.7Å; T193-V195 WeakPolarHBondContact OG1-CG2 3.22Å; T193-V195 PolarHBondContact OG1-N 3.39Å |
| 194 | G | 82 | Confident | 79.6 | Confident | 0 Ų | 0 | 56.5 Ų | 56.5 | 0% | 0 | 27% | 0.274 | C | S | . | . | trans | 69.9 | 13.9 | -177.6 | 0 | 0 | 0 | 0 | 0 | 114 | I154 D190 | I154-G194 PolarHBondContact N-O 2.68Å; I154-G194 WeakPolarHBondContact O-CA 3.21Å; D190-G194 WeakPolarHBondContact O-CA 3.36Å; D190-G194 PolarHBondContact O-N 3.26Å | ||
| 195 | V | 84.5 | Confident | 80.1 | Confident | 23 Ų | 23 | 58 Ų | 58 | 14% | 0.139 | 28% | 0.281 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -76.6 | 126 | 176.1 | -178.5 | 0 | 0 | 0 | 0 | 109.8 | A152 Q153 I189 D190 T193 H197 | A152-V195 CarbonylContact O-C 3.54Å; A152-V195 WeakPolarHBondContact O-CA 3.13Å; Q153-V195 HydrophobicContact CB-CG2 4.21Å; Q153-V195 HydrophobicContact CG-CG2 4.1Å; I189-V195 CarbonylContact C-O 3.59Å; I189-V195 VanDerWaalsContact CA-O 3.3Å; I189-V195 WeakPolarHBondContact CA-O 3.46Å; I189-V195 WeakPolarHBondContact CG1-O 3.41Å; D190-V195 PolarHBondContact N-O 3Å; T193-V195 PolarHBondContact O-N 2.7Å; T193-V195 WeakPolarHBondContact OG1-CG2 3.22Å; T193-V195 PolarHBondContact OG1-N 3.39Å; V195-H197 WeakPolarHBondContact CG1-NE2 3.38Å |
| 196 | L | 83.6 | Confident | 80.3 | Confident | 0 Ų | 0 | 54 Ų | 54 | 0% | 0 | 26% | 0.26 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.9 | 123.5 | 174.1 | 179.9 | 75.2 | 0 | 0 | 0 | 108.7 | S150 I151 A152 L171 F187 T188 V230 I232 | S150-L196 CarbonylContact C-O 3.25Å; I151-L196 HydrophobicContact CB-CD2 4.08Å; I151-L196 HydrophobicContact CB-CG 4.28Å; I151-L196 HydrophobicContact CG2-CD2 3.95Å; I151-L196 PolarHBondContact N-O 3.42Å; A152-L196 HydrophobicContact CB-CB 4.43Å; A152-L196 HydrophobicContact CB-CD2 4.29Å; A152-L196 WeakPolarHBondContact O-CB 3.22Å; A152-L196 PolarHBondContact O-N 3.14Å; L171-L196 HydrophobicContact CD1-CD1 4.25Å; L171-L196 HydrophobicContact CD2-CD1 3.46Å; L171-L196 VanDerWaalsContact CD2-CD1 3.46Å; L171-L196 HydrophobicContact CG-CD1 4.48Å; F187-L196 HydrophobicContact CB-CD1 4.15Å; T188-L196 CarbonylContact O-C 3.56Å; T188-L196 VanDerWaalsContact O-CA 3.29Å; T188-L196 WeakPolarHBondContact O-CA 3.35Å; L196-V230 HydrophobicContact CD2-CG1 4.44Å; L196-I232 HydrophobicContact CD2-CD1 3.89Å |
| 197 | H | 81.4 | Confident | 79.7 | Confident | 50 Ų | 50 | 58.5 Ų | 58.5 | 23% | 0.231 | 29% | 0.291 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.6 | 138.5 | 178.7 | -69.1 | -88 | 0 | 0 | 0 | 111.8 | S148 A149 S150 F187 T188 V195 | S148-H197 PolarHBondContact O-ND1 2.77Å; A149-H197 VanDerWaalsContact O-CA 3.29Å; A149-H197 WeakPolarHBondContact O-CA 3.25Å; S150-H197 PolarHBondContact OG-CE1 2.9Å; S150-H197 VanDerWaalsContact OG-CE1 3.25Å; F187-H197 CarbonylContact C-O 3.55Å; F187-H197 VanDerWaalsContact CA-O 3.25Å; F187-H197 WeakPolarHBondContact CA-O 3.38Å; T188-H197 PolarHBondContact N-O 2.75Å; T188-H197 PolarHBondContact O-N 3.31Å; V195-H197 WeakPolarHBondContact CG1-NE2 3.38Å |
| 198 | L | 83.3 | Confident | 78.9 | Confident | 0 Ų | 0 | 64.5 Ų | 64.5 | 0% | 0 | 33% | 0.327 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -73.3 | 132.1 | 167.6 | -175.7 | 69.2 | 0 | 0 | 0 | 109.6 | A145 S148 A149 I151 F187 K200 L202 | A145-L198 HydrophobicContact CB-CD2 3.94Å; A145-L198 WeakPolarHBondContact O-CD2 3.36Å; S148-L198 WeakPolarHBondContact CA-O 3.43Å; S148-L198 PolarHBondContact N-O 3.12Å; A149-L198 PolarHBondContact O-N 2.94Å; I151-L198 HydrophobicContact CD1-CB 4Å; I151-L198 HydrophobicContact CG1-CB 3.86Å; F187-L198 HydrophobicContact CD1-CD1 4.02Å; F187-L198 HydrophobicContact CE1-CB 4.47Å; F187-L198 HydrophobicContact CE1-CD1 3.45Å; F187-L198 VanDerWaalsContact CE1-CD1 3.45Å; F187-L198 HydrophobicContact CE2-CD1 4.25Å; F187-L198 HydrophobicContact CZ-CD1 3.59Å; L198-K200 VanDerWaalsContact CD1-O 3.31Å; L198-K200 WeakPolarHBondContact CD1-O 3.33Å; L198-K200 WeakPolarHBondContact CG-O 2.99Å; L198-L202 HydrophobicContact CD1-CD1 3.92Å; L198-L202 HydrophobicContact CD1-CG 4.14Å |
| 199 | M | 74.3 | Confident | 78.5 | Confident | 85 Ų | 85 | 63.4 Ų | 63.4 | 42% | 0.419 | 32% | 0.318 | S | S | . | . | trans | -110.6 | -8.3 | -177.1 | -63.8 | -56.4 | -54.3 | 0 | 0 | 114.1 | N185 D186 T188 | N185-M199 WeakPolarHBondContact O-CB 3.46Å; D186-M199 PolarHBondContact O-N 3.35Å; T188-M199 HydrophobicContact CG2-CG 3.6Å; T188-M199 HydrophobicContact CG2-SD 3.91Å; T188-M199 PolarHBondContact OG1-SD 3.08Å | ||
| 200 | K | 76 | Confident | 77.9 | Confident | 88 Ų | 88 | 65.2 Ų | 65.2 | 38% | 0.383 | 33% | 0.332 | S | S | . | . | S | Bend | trans | -150.6 | 140.1 | -175.3 | -175 | -167.9 | 165.9 | -120.2 | 0 | 109 | D186 L198 | D186-K200 HydrophobicContact CB-CB 4.44Å; D186-K200 VanDerWaalsContact OD1-CD 3.32Å; D186-K200 WeakPolarHBondContact OD1-CD 3.45Å; L198-K200 VanDerWaalsContact CD1-O 3.31Å; L198-K200 WeakPolarHBondContact CD1-O 3.33Å; L198-K200 WeakPolarHBondContact CG-O 2.99Å |
| 201 | Q | 77.5 | Confident | 77.9 | Confident | 121 Ų | 121 | 67.5 Ų | 67.5 | 57% | 0.565 | 34% | 0.336 | S | S | * | . | trans | -65.3 | 144.1 | 177 | -167.8 | 171.1 | -1.3 | 0 | 0 | 111.2 | V147 | V147-Q201 HydrophobicContact CG2-CB 4.1Š| ||
| 202 | L | 83.3 | Confident | 77.8 | Confident | 8 Ų | 8 | 64.9 Ų | 64.9 | 4% | 0.042 | 33% | 0.332 | C | S | . | . | trans | -103.6 | 168.3 | 179.8 | -62.9 | 172.2 | 0 | 0 | 0 | 109.4 | V141 E143 F187 L198 Y213 V234 | V141-L202 HydrophobicContact CB-CD1 4.48Å; V141-L202 HydrophobicContact CG1-CD1 3.44Å; V141-L202 VanDerWaalsContact CG1-CD1 3.44Å; V141-L202 HydrophobicContact CG2-CD1 4.19Å; E143-L202 HydrophobicContact CB-CB 4.34Å; E143-L202 CarbonylContact O-C 3.57Å; F187-L202 HydrophobicContact CZ-CD1 4.33Å; L198-L202 HydrophobicContact CD1-CD1 3.92Å; L198-L202 HydrophobicContact CD1-CG 4.14Å; L202-Y213 HydrophobicContact CD2-CE2 3.93Å; L202-V234 HydrophobicContact CB-CG1 4.32Å; L202-V234 HydrophobicContact CD1-CG1 4.41Å; L202-V234 HydrophobicContact CD1-CG2 4.17Å | ||
| 203 | D | 80.5 | Confident | 78.1 | Confident | 57 Ų | 57 | 56.6 Ų | 56.6 | 31% | 0.305 | 30% | 0.301 | S | S | . | . | trans | -169.5 | 118.2 | -170.1 | 167.4 | -7.1 | 0 | 0 | 0 | 104.5 | E143 N206 Q209 | E143-D203 WeakPolarHBondContact OE2-CA 3.37Å; D203-N206 HydrophobicContact CB-CB 4.25Å; D203-N206 WeakPolarHBondContact OD1-CB 3.41Å; D203-N206 PolarHBondContact OD1-N 3.21Å; D203-N206 WeakPolarHBondContact OD2-CB 3.39Å; D203-N206 PolarHBondContact OD2-ND2 3.42Å; D203-Q209 HydrophobicContact CB-CG 4.19Å; D203-Q209 WeakPolarHBondContact O-CB 3.31Å; D203-Q209 WeakPolarHBondContact O-CG 3.26Å | ||
| 204 | Y | 81.4 | Confident | 78 | Confident | 43 Ų | 43 | 59.4 Ų | 59.4 | 17% | 0.169 | 31% | 0.308 | C | S | . | . | S | Bend | trans | -92.7 | -37.6 | -166.7 | -176.4 | -90.9 | 0 | 0 | 0 | 111.2 | E143 R211 V234 D236 S273 | E143-Y204 VanDerWaalsContact CD-CB 3.46Å; E143-Y204 WeakPolarHBondContact OE1-CB 3.46Å; E143-Y204 VanDerWaalsContact OE2-CB 3.27Å; E143-Y204 WeakPolarHBondContact OE2-CB 3.36Å; E143-Y204 PolarHBondContact OE2-N 2.83Å; Y204-R211 VanDerWaalsContact CD1-NH2 3.33Å; Y204-R211 HydrophobicContact CD2-CB 4.32Å; Y204-R211 HydrophobicContact CD2-CG 3.72Å; Y204-R211 HydrophobicContact CE2-CB 4.04Å; Y204-R211 VanDerWaalsContact CE2-CD 3.48Å; Y204-R211 HydrophobicContact CE2-CG 3.67Å; Y204-R211 HydrophobicContact CG-CG 4.29Å; Y204-R211 VanDerWaalsContact CZ-CD 3.47Å; Y204-R211 VanDerWaalsContact CZ-CZ 3.49Å; Y204-R211 VanDerWaalsContact CZ-NH1 3.31Å; Y204-R211 PolarHBondContact O-NE 3.28Å; Y204-R211 PolarHBondContact O-NH2 2.04Å; Y204-R211 PolarHBondContact OH-NH1 3.46Å; Y204-V234 HydrophobicContact CD2-CB 4.27Å; Y204-V234 HydrophobicContact CD2-CG1 4.13Å; Y204-V234 WeakPolarHBondContact CE2-O 3.01Å; Y204-D236 HydrophobicContact CD1-CB 3.65Å; Y204-D236 WeakPolarHBondContact CD1-OD1 3.4Å; Y204-D236 HydrophobicContact CD2-CB 4.35Å; Y204-D236 HydrophobicContact CE1-CB 3.49Å; Y204-D236 VanDerWaalsContact CE1-CB 3.49Å; Y204-D236 WeakPolarHBondContact CE1-OD1 3.32Å; Y204-D236 HydrophobicContact CE2-CB 4.21Å; Y204-D236 HydrophobicContact CG-CB 4.11Å; Y204-S273 WeakPolarHBondContact CE1-OG 3.39Å |
| 205 | D | 77.2 | Confident | 78.1 | Confident | 39 Ų | 39 | 59.7 Ų | 59.7 | 21% | 0.209 | 31% | 0.31 | C | S | . | . | S | Bend | trans | -81.6 | -20.3 | -179.8 | -76 | -59.4 | 0 | 0 | 0 | 114.7 | P207 R211 | D205-P207 WeakPolarHBondContact O-CD 3.45Å; D205-R211 IonicContact OD1-NH2 2.77Å; D205-R211 PolarHBondContact OD1-NH2 3.15Å |
| 206 | N | 73 | Confident | 77.9 | Confident | 58 Ų | 58 | 62.1 Ų | 62.1 | 31% | 0.31 | 32% | 0.318 | S | S | . | . | S | Bend | trans | -67.4 | 110.3 | 167.4 | -177.9 | -15.7 | 0 | 0 | 0 | 111.4 | D203 V208 Q209 | D203-N206 HydrophobicContact CB-CB 4.25Å; D203-N206 WeakPolarHBondContact OD1-CB 3.41Å; D203-N206 PolarHBondContact OD1-N 3.21Å; D203-N206 WeakPolarHBondContact OD2-CB 3.39Å; D203-N206 PolarHBondContact OD2-ND2 3.42Å; N206-V208 PolarHBondContact O-N 3.3Å; N206-V208 WeakPolarHBondContact OD1-CB 3.44Å; N206-V208 WeakPolarHBondContact OD1-CG2 3.47Å; N206-V208 PolarHBondContact OD1-N 3.45Å; N206-Q209 HydrophobicContact CB-CG 4.35Å; N206-Q209 PolarHBondContact O-N 2.96Å |
| 207 | P | 66.8 | Low | 78 | Confident | 126 Ų | 126 | 62.1 Ų | 62.1 | 82% | 0.818 | 32% | 0.318 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -72.5 | 6.5 | -170.8 | 32.7 | -37.6 | 0 | 0 | 0 | 113.8 | D205 | D205-P207 WeakPolarHBondContact O-CD 3.45Š|
| 208 | V | 68.4 | Low | 78.1 | Confident | 127 Ų | 127 | 61 Ų | 61 | 77% | 0.77 | 32% | 0.315 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -93.1 | -23.1 | 174.5 | -170.4 | 0 | 0 | 0 | 0 | 111.7 | N206 | N206-V208 PolarHBondContact O-N 3.3Å; N206-V208 WeakPolarHBondContact OD1-CB 3.44Å; N206-V208 WeakPolarHBondContact OD1-CG2 3.47Å; N206-V208 PolarHBondContact OD1-N 3.45Å |
| 209 | Q | 74.8 | Confident | 78.1 | Confident | 37 Ų | 37 | 61 Ų | 61 | 17% | 0.173 | 32% | 0.315 | C | S | . | . | S | Bend | trans | -85.4 | 141.8 | 179 | -58.2 | -113.6 | 43.7 | 0 | 0 | 110.8 | D203 N206 R211 | D203-Q209 HydrophobicContact CB-CG 4.19Å; D203-Q209 WeakPolarHBondContact O-CB 3.31Å; D203-Q209 WeakPolarHBondContact O-CG 3.26Å; N206-Q209 HydrophobicContact CB-CG 4.35Å; N206-Q209 PolarHBondContact O-N 2.96Å; Q209-R211 PolarHBondContact O-N 3.1Å |
| 210 | P | 73.2 | Confident | 78.2 | Confident | 66 Ų | 66 | 59.3 Ų | 59.3 | 43% | 0.429 | 31% | 0.309 | S | S | . | . | trans | -85.4 | 115 | 179.3 | 32.3 | -31.6 | 0 | 0 | 0 | 111.5 | S212 Y213 | P210-S212 PolarHBondContact O-N 2.98Å; P210-Y213 HydrophobicContact CG-CE1 3.96Å; P210-Y213 HydrophobicContact CG-CE2 3.98Å | ||
| 211 | R | 79.2 | Confident | 78.3 | Confident | 105 Ų | 105 | 55.5 Ų | 55.5 | 40% | 0.396 | 29% | 0.293 | S | S | . | . | S | Bend | trans | -60.4 | 1.9 | 177.3 | -63 | 177.6 | 173.5 | -164.2 | -1.6 | 115.3 | Y204 D205 Q209 V234 | Y204-R211 VanDerWaalsContact CD1-NH2 3.33Å; Y204-R211 HydrophobicContact CD2-CB 4.32Å; Y204-R211 HydrophobicContact CD2-CG 3.72Å; Y204-R211 HydrophobicContact CE2-CB 4.04Å; Y204-R211 VanDerWaalsContact CE2-CD 3.48Å; Y204-R211 HydrophobicContact CE2-CG 3.67Å; Y204-R211 HydrophobicContact CG-CG 4.29Å; Y204-R211 VanDerWaalsContact CZ-CD 3.47Å; Y204-R211 VanDerWaalsContact CZ-CZ 3.49Å; Y204-R211 VanDerWaalsContact CZ-NH1 3.31Å; Y204-R211 PolarHBondContact O-NE 3.28Å; Y204-R211 PolarHBondContact O-NH2 2.04Å; Y204-R211 PolarHBondContact OH-NH1 3.46Å; D205-R211 IonicContact OD1-NH2 2.77Å; D205-R211 PolarHBondContact OD1-NH2 3.15Å; Q209-R211 PolarHBondContact O-N 3.1Å; R211-V234 PolarHBondContact O-N 2.79Å |
| 212 | S | 76.2 | Confident | 77.7 | Confident | 73 Ų | 73 | 52.7 Ų | 52.7 | 51% | 0.51 | 30% | 0.297 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -158.9 | 145.2 | 167.6 | 70.4 | 0 | 0 | 0 | 0 | 113.5 | P210 I232 | P210-S212 PolarHBondContact O-N 2.98Å; S212-I232 CarbonylContact C-O 3.35Å; S212-I232 VanDerWaalsContact CA-O 3.25Å; S212-I232 WeakPolarHBondContact CA-O 3.36Å |
| 213 | Y | 81.7 | Confident | 76.8 | Confident | 24 Ų | 24 | 62.1 Ų | 62.1 | 9% | 0.094 | 34% | 0.34 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.3 | 153.9 | 178 | -66.5 | -100.7 | 0 | 0 | 0 | 111.9 | D186 F187 L202 P210 F215 I232 V234 | D186-Y213 HydrophobicContact CB-CE1 4.15Å; D186-Y213 VanDerWaalsContact OD2-CE1 3.23Å; D186-Y213 WeakPolarHBondContact OD2-CE1 3.34Å; D186-Y213 PolarHBondContact OD2-OH 2.91Å; F187-Y213 HydrophobicContact CD2-CD1 4.44Å; F187-Y213 HydrophobicContact CE2-CD1 4.06Å; F187-Y213 AromaticContact CE2-CD2 3.84Å; F187-Y213 HydrophobicContact CE2-CD2 3.84Å; F187-Y213 HydrophobicContact CE2-CE1 4.15Å; F187-Y213 AromaticContact CE2-CE2 3.97Å; F187-Y213 HydrophobicContact CE2-CE2 3.97Å; F187-Y213 AromaticContact CE2-CG 3.88Å; F187-Y213 HydrophobicContact CE2-CG 3.88Å; F187-Y213 HydrophobicContact CZ-CD2 4.38Å; L202-Y213 HydrophobicContact CD2-CE2 3.93Å; P210-Y213 HydrophobicContact CG-CE1 3.96Å; P210-Y213 HydrophobicContact CG-CE2 3.98Å; Y213-F215 HydrophobicContact CD1-CE1 4.36Å; Y213-F215 AromaticContact CD1-CZ 3.76Å; Y213-F215 HydrophobicContact CD1-CZ 3.76Å; Y213-F215 HydrophobicContact CG-CZ 4.09Å; Y213-I232 PolarHBondContact N-O 2.73Å; Y213-I232 PolarHBondContact O-N 2.77Å; Y213-V234 HydrophobicContact CD2-CG2 4.4Å; Y213-V234 HydrophobicContact CE2-CG2 4.19Å |
| 214 | K | 79.1 | Confident | 76.4 | Confident | 117 Ų | 117 | 63 Ų | 63 | 51% | 0.509 | 34% | 0.342 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -139.7 | 118.8 | -178.4 | -62.8 | -170 | 164.3 | -78.8 | 0 | 113 | D174 D231 | D174-K214 PolarHBondContact N-O 3.36Å; K214-D231 WeakPolarHBondContact CG-OD1 3.4Å; K214-D231 IonicContact NZ-OD1 3.97Å; K214-D231 PolarHBondContact NZ-OD1 3.45Å; K214-D231 IonicContact NZ-OD2 2.65Å; K214-D231 PolarHBondContact NZ-OD2 3.24Å |
| 215 | F | 85.2 | Confident | 76.4 | Confident | 7 Ų | 7 | 64.5 Ų | 64.5 | 3% | 0.031 | 36% | 0.358 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.4 | 172.8 | -174.8 | -49.2 | -49.3 | 0 | 0 | 0 | 112.5 | L171 W172 P184 F187 Y213 V230 I232 | L171-F215 HydrophobicContact CD1-CB 3.7Å; L171-F215 HydrophobicContact CD1-CD2 4.38Å; L171-F215 HydrophobicContact CD1-CG 4.31Å; L171-F215 HydrophobicContact CD2-CD2 4.17Å; L171-F215 HydrophobicContact CD2-CG 4.45Å; L171-F215 HydrophobicContact CG-CB 4.14Å; L171-F215 HydrophobicContact CG-CG 4.39Å; W172-F215 CarbonylContact O-C 3.5Å; W172-F215 VanDerWaalsContact O-CA 3.27Å; W172-F215 WeakPolarHBondContact O-CA 3.45Å; W172-F215 WeakPolarHBondContact O-CB 3.38Å; P184-F215 HydrophobicContact CB-CD1 4.22Å; P184-F215 HydrophobicContact CB-CE1 3.56Å; P184-F215 HydrophobicContact CB-CZ 3.72Å; P184-F215 HydrophobicContact CG-CD1 3.47Å; P184-F215 VanDerWaalsContact CG-CD1 3.47Å; P184-F215 HydrophobicContact CG-CD2 4.44Å; P184-F215 HydrophobicContact CG-CE1 3.34Å; P184-F215 HydrophobicContact CG-CE2 4.32Å; P184-F215 HydrophobicContact CG-CG 4.04Å; P184-F215 HydrophobicContact CG-CZ 3.8Å; F187-F215 HydrophobicContact CB-CE2 3.96Å; F187-F215 HydrophobicContact CB-CZ 4.4Å; F187-F215 AromaticContact CD2-CE2 3.55Å; F187-F215 HydrophobicContact CD2-CE2 3.55Å; F187-F215 AromaticContact CD2-CZ 3.66Å; F187-F215 HydrophobicContact CD2-CZ 3.66Å; F187-F215 HydrophobicContact CE2-CE2 4.21Å; F187-F215 HydrophobicContact CE2-CZ 4.33Å; F187-F215 AromaticContact CG-CE2 3.86Å; F187-F215 HydrophobicContact CG-CE2 3.86Å; F187-F215 HydrophobicContact CG-CZ 4.33Å; Y213-F215 HydrophobicContact CD1-CE1 4.36Å; Y213-F215 AromaticContact CD1-CZ 3.76Å; Y213-F215 HydrophobicContact CD1-CZ 3.76Å; Y213-F215 HydrophobicContact CG-CZ 4.09Å; F215-V230 HydrophobicContact CB-CB 4.31Å; F215-V230 PolarHBondContact N-O 3.36Å; F215-V230 PolarHBondContact O-N 2.79Å; F215-I232 HydrophobicContact CD2-CD1 4Å; F215-I232 HydrophobicContact CD2-CG1 4.49Å; F215-I232 HydrophobicContact CE2-CD1 3.68Å; F215-I232 HydrophobicContact CE2-CG1 4.42Å |
| 216 | K | 79.9 | Confident | 76.7 | Confident | 73 Ų | 73 | 64.4 Ų | 64.4 | 32% | 0.317 | 36% | 0.359 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.1 | 129.7 | 168.6 | -82 | 169.9 | 179.3 | 154 | 0 | 111.2 | W172 D174 V228 | W172-K216 PolarHBondContact N-O 3.49Å; W172-K216 PolarHBondContact O-N 2.81Å; D174-K216 VanDerWaalsContact CG-CE 3.45Å; D174-K216 WeakPolarHBondContact OD1-CE 3.46Å; D174-K216 IonicContact OD1-NZ 3.24Å; D174-K216 PolarHBondContact OD1-NZ 2.99Å; D174-K216 WeakPolarHBondContact OD2-CE 3.47Å; D174-K216 IonicContact OD2-NZ 2.79Å; D174-K216 PolarHBondContact OD2-NZ 3.02Å; K216-V228 CarbonylContact C-O 3.46Å; K216-V228 WeakPolarHBondContact CA-O 3.44Å |
| 217 | A | 86.5 | Confident | 77.1 | Confident | 0 Ų | 0 | 65.5 Ų | 65.5 | 0% | 0 | 37% | 0.371 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.7 | 128 | 175.7 | 0 | 0 | 0 | 0 | 0 | 112.5 | F132 I154 S170 L171 S227 V228 V230 | F132-A217 WeakPolarHBondContact CZ-O 3.47Å; I154-A217 HydrophobicContact CD1-CB 3.73Å; I154-A217 HydrophobicContact CG2-CB 3.81Å; S170-A217 CarbonylContact O-C 3.13Å; S170-A217 WeakPolarHBondContact O-CA 3.01Å; L171-A217 HydrophobicContact CD1-CB 4.43Å; A217-S227 VanDerWaalsContact O-CA 3.27Å; A217-S227 WeakPolarHBondContact O-CA 3.29Å; A217-V228 HydrophobicContact CB-CG1 3.82Å; A217-V228 PolarHBondContact N-O 2.9Å; A217-V228 PolarHBondContact O-N 3.25Å; A217-V230 HydrophobicContact CB-CG2 3.84Å |
| 218 | V | 81.6 | Confident | 78 | Confident | 27 Ų | 27 | 59.7 Ų | 59.7 | 16% | 0.164 | 33% | 0.333 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.1 | 75 | -173 | -134.4 | 0 | 0 | 0 | 0 | 120.5 | A168 Y169 S170 T226 | A168-V218 VanDerWaalsContact O-O 3.07Å; Y169-V218 CarbonylContact C-O 3.58Å; Y169-V218 WeakPolarHBondContact CA-O 3.46Å; S170-V218 PolarHBondContact N-O 3.34Å; S170-V218 WeakPolarHBondContact O-CA 3.32Å; S170-V218 PolarHBondContact O-N 2.94Å; S170-V218 WeakPolarHBondContact OG-CA 3.43Å; S170-V218 PolarHBondContact OG-O 3.44Å; V218-T226 WeakPolarHBondContact CG1-O 3.31Å |
| 219 | A | 83.4 | Confident | 78.7 | Confident | 0 Ų | 0 | 56 Ų | 56 | 0% | 0 | 31% | 0.312 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.8 | 125.1 | 176.4 | 0 | 0 | 0 | 0 | 0 | 112 | F132 A156 I167 A168 Y169 S225 T226 | F132-A219 HydrophobicContact CD1-CB 4.48Å; F132-A219 HydrophobicContact CE1-CB 3.6Å; F132-A219 HydrophobicContact CE2-CB 3.91Å; F132-A219 HydrophobicContact CZ-CB 3.28Å; A156-A219 HydrophobicContact CB-CB 4.01Å; I167-A219 HydrophobicContact CG2-CB 3.94Å; A168-A219 CarbonylContact O-C 3.58Å; A168-A219 WeakPolarHBondContact O-CA 3.5Å; Y169-A219 HydrophobicContact CD1-CB 4.18Å; Y169-A219 HydrophobicContact CE1-CB 4.13Å; A219-S225 CarbonylContact O-C 3.53Å; A219-S225 WeakPolarHBondContact O-CA 3.01Å; A219-S225 WeakPolarHBondContact O-CB 3.21Å; A219-T226 PolarHBondContact N-O 3.34Å; A219-T226 PolarHBondContact O-N 3.29Å |
| 220 | T | 78.4 | Confident | 79.2 | Confident | 50 Ų | 50 | 54.3 Ų | 54.3 | 31% | 0.307 | 30% | 0.304 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.9 | 127.8 | -175.1 | -54.8 | 0 | 0 | 0 | 0 | 112.3 | I167 A168 | I167-T220 WeakPolarHBondContact CA-O 3.44Å; A168-T220 PolarHBondContact N-O 3.45Å; A168-T220 PolarHBondContact O-N 2.94Å |
| 221 | E | 77.1 | Confident | 79.5 | Confident | 8 Ų | 8 | 53.3 Ų | 53.3 | 4% | 0.037 | 30% | 0.295 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128 | 89.5 | 178 | -169.7 | -165.1 | 168.4 | 0 | 0 | 109.7 | P130 S158 R160 V165 I167 E223 K224 | P130-E221 WeakPolarHBondContact CD-OE2 3.32Å; P130-E221 HydrophobicContact CG-CB 3.94Å; S158-E221 PolarHBondContact OG-OE1 2.93Å; S158-E221 PolarHBondContact OG-OE2 2.74Å; S158-E221 VanDerWaalsContact OG-OE2 3.12Å; R160-E221 WeakPolarHBondContact CD-OE1 3.37Å; R160-E221 WeakPolarHBondContact CG-OE1 3.2Å; V165-E221 HydrophobicContact CG1-CG 3.59Å; I167-E221 HydrophobicContact CG1-CB 4.47Å; E221-E223 PolarHBondContact O-N 2.03Å; E221-K224 CarbonylContact C-O 3.53Å; E221-K224 PolarHBondContact N-O 3.19Å; E221-K224 PolarHBondContact O-N 2.04Å; E221-K224 VanDerWaalsContact O-N 3.12Å |
| 222 | G | 65.4 | Low | 79.7 | Confident | 62 Ų | 62 | 48.4 Ų | 48.4 | 64% | 0.639 | 28% | 0.277 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 63.9 | -124.7 | -173.4 | 0 | 0 | 0 | 0 | 0 | 111.8 | K224 | G222-K224 VanDerWaalsContact C-N 3.32Š|
| 223 | E | 64 | Low | 79.7 | Confident | 206 Ų | 206 | 46 Ų | 46 | 96% | 0.963 | 26% | 0.264 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -80.1 | -7.9 | 174.7 | -66 | -171.3 | 160.7 | 0 | 0 | 113.9 | E221 | E221-E223 PolarHBondContact O-N 2.03Š|
| 224 | K | 71.9 | Confident | 79.8 | Confident | 76 Ų | 76 | 45.4 Ų | 45.4 | 33% | 0.33 | 26% | 0.263 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.8 | 119.1 | -179.6 | -60.2 | -172.2 | -168.3 | -178 | 0 | 109.9 | S127 R128 A129 E221 G222 | S127-K224 PolarHBondContact OG-NZ 2.98Å; S127-K224 VanDerWaalsContact OG-NZ 3.07Å; R128-K224 WeakPolarHBondContact O-CD 3.01Å; R128-K224 PolarHBondContact O-NZ 2.89Å; A129-K224 HydrophobicContact CB-CB 4.15Å; A129-K224 HydrophobicContact CB-CD 4.01Å; E221-K224 CarbonylContact C-O 3.53Å; E221-K224 PolarHBondContact N-O 3.19Å; E221-K224 PolarHBondContact O-N 2.04Å; E221-K224 VanDerWaalsContact O-N 3.12Å; G222-K224 VanDerWaalsContact C-N 3.32Å |
| 225 | S | 80.6 | Confident | 79.7 | Confident | 73 Ų | 73 | 42.8 Ų | 42.8 | 51% | 0.51 | 25% | 0.254 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.9 | 156.2 | 170.2 | 57.6 | 0 | 0 | 0 | 0 | 112.2 | A219 | A219-S225 CarbonylContact O-C 3.53Å; A219-S225 WeakPolarHBondContact O-CA 3.01Å; A219-S225 WeakPolarHBondContact O-CB 3.21Å |
| 226 | T | 83.7 | Confident | 79.5 | Confident | 38 Ų | 38 | 44 Ų | 44 | 23% | 0.233 | 26% | 0.261 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.3 | 137.9 | 176.3 | 49 | 0 | 0 | 0 | 0 | 108.9 | A129 P130 F132 V218 A219 | A129-T226 HydrophobicContact CB-CG2 4.23Å; P130-T226 VanDerWaalsContact O-CG2 3.29Å; P130-T226 WeakPolarHBondContact O-CG2 3.48Å; P130-T226 PolarHBondContact O-OG1 3.49Å; F132-T226 WeakPolarHBondContact CE2-O 3.27Å; V218-T226 WeakPolarHBondContact CG1-O 3.31Å; A219-T226 PolarHBondContact N-O 3.34Å; A219-T226 PolarHBondContact O-N 3.29Å |
| 227 | S | 83.3 | Confident | 79.5 | Confident | 81 Ų | 81 | 42.5 Ų | 42.5 | 57% | 0.566 | 26% | 0.258 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -112.7 | 149.4 | 177.6 | 55.5 | 0 | 0 | 0 | 0 | 112 | A217 | A217-S227 VanDerWaalsContact O-CA 3.27Å; A217-S227 WeakPolarHBondContact O-CA 3.29Å |
| 228 | V | 85 | Confident | 79.2 | Confident | 4 Ų | 4 | 43 Ų | 43 | 2% | 0.024 | 26% | 0.26 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.8 | 137.3 | 176.5 | 67 | 0 | 0 | 0 | 0 | 109.6 | F132 D135 Y137 I154 K216 A217 | F132-V228 HydrophobicContact CD1-CG1 3.92Å; F132-V228 HydrophobicContact CD2-CB 3.63Å; F132-V228 HydrophobicContact CD2-CG1 3.8Å; F132-V228 HydrophobicContact CD2-CG2 4.5Å; F132-V228 HydrophobicContact CE1-CG1 3.74Å; F132-V228 HydrophobicContact CE2-CB 3.65Å; F132-V228 HydrophobicContact CE2-CG1 3.58Å; F132-V228 HydrophobicContact CG-CB 4.08Å; F132-V228 HydrophobicContact CG-CG1 3.94Å; F132-V228 HydrophobicContact CZ-CB 4.16Å; F132-V228 HydrophobicContact CZ-CG1 3.54Å; D135-V228 WeakPolarHBondContact O-CG2 3.39Å; Y137-V228 HydrophobicContact CD2-CB 4.49Å; Y137-V228 HydrophobicContact CD2-CG1 3.88Å; Y137-V228 HydrophobicContact CD2-CG2 3.74Å; Y137-V228 HydrophobicContact CE2-CG1 3.91Å; Y137-V228 HydrophobicContact CE2-CG2 3.96Å; I154-V228 HydrophobicContact CG2-CG1 4.05Å; K216-V228 CarbonylContact C-O 3.46Å; K216-V228 WeakPolarHBondContact CA-O 3.44Å; A217-V228 HydrophobicContact CB-CG1 3.82Å; A217-V228 PolarHBondContact N-O 2.9Å; A217-V228 PolarHBondContact O-N 3.25Å |
| 229 | P | 82.6 | Confident | 78.9 | Confident | 50 Ų | 50 | 45.5 Ų | 45.5 | 33% | 0.325 | 27% | 0.273 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -72.7 | 149.3 | 174.2 | 30.8 | -34.2 | 0 | 0 | 0 | 111.3 | Y137 | Y137-P229 PolarHBondContact N-O 2.82Å |
| 230 | V | 85.6 | Confident | 78.5 | Confident | 0 Ų | 0 | 46.7 Ų | 46.7 | 0% | 0 | 28% | 0.279 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.8 | 106 | 179.1 | -172 | 0 | 0 | 0 | 0 | 107.8 | Y137 I154 L196 F215 A217 I232 | Y137-V230 CarbonylContact O-C 3.48Å; Y137-V230 VanDerWaalsContact O-CA 3.31Å; Y137-V230 WeakPolarHBondContact O-CA 3.27Å; I154-V230 HydrophobicContact CD1-CG1 4.22Å; I154-V230 HydrophobicContact CD1-CG2 3.52Å; L196-V230 HydrophobicContact CD2-CG1 4.44Å; F215-V230 HydrophobicContact CB-CB 4.31Å; F215-V230 PolarHBondContact N-O 3.36Å; F215-V230 PolarHBondContact O-N 2.79Å; A217-V230 HydrophobicContact CB-CG2 3.84Å; V230-I232 HydrophobicContact CG1-CG1 4.38Å |
| 231 | D | 78.9 | Confident | 78.4 | Confident | 45 Ų | 45 | 48.3 Ų | 48.3 | 24% | 0.241 | 29% | 0.286 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.2 | 136.1 | 170.8 | -74.9 | -14 | 0 | 0 | 0 | 109.1 | Y137 Q138 V139 K214 | Y137-D231 PolarHBondContact O-N 3Å; Q138-D231 WeakPolarHBondContact CA-O 3.35Å; Q138-D231 HydrophobicContact CG-CB 4.3Å; V139-D231 PolarHBondContact N-O 3.13Å; K214-D231 WeakPolarHBondContact CG-OD1 3.4Å; K214-D231 IonicContact NZ-OD1 3.97Å; K214-D231 PolarHBondContact NZ-OD1 3.45Å; K214-D231 IonicContact NZ-OD2 2.65Å; K214-D231 PolarHBondContact NZ-OD2 3.24Å |
| 232 | I | 84.6 | Confident | 78.7 | Confident | 2 Ų | 2 | 48 Ų | 48 | 1% | 0.01 | 29% | 0.285 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.3 | 122.2 | 173.1 | -44.6 | 180 | 0 | 0 | 0 | 108.8 | V139 V141 F187 L196 S212 Y213 F215 V230 | V139-I232 CarbonylContact O-C 3.05Å; V139-I232 VanDerWaalsContact O-CA 3.27Å; V139-I232 WeakPolarHBondContact O-CA 3.38Å; V141-I232 HydrophobicContact CB-CG2 4.28Å; V141-I232 HydrophobicContact CG1-CG2 3.69Å; F187-I232 HydrophobicContact CD1-CD1 3.66Å; F187-I232 HydrophobicContact CD2-CD1 4.22Å; F187-I232 HydrophobicContact CE1-CD1 3.48Å; F187-I232 VanDerWaalsContact CE1-CD1 3.48Å; F187-I232 HydrophobicContact CE1-CG2 4.42Å; F187-I232 HydrophobicContact CE2-CD1 4.08Å; F187-I232 HydrophobicContact CG-CD1 4.03Å; F187-I232 HydrophobicContact CZ-CD1 3.71Å; F187-I232 HydrophobicContact CZ-CG2 4.21Å; L196-I232 HydrophobicContact CD2-CD1 3.89Å; S212-I232 CarbonylContact C-O 3.35Å; S212-I232 VanDerWaalsContact CA-O 3.25Å; S212-I232 WeakPolarHBondContact CA-O 3.36Å; Y213-I232 PolarHBondContact N-O 2.73Å; Y213-I232 PolarHBondContact O-N 2.77Å; F215-I232 HydrophobicContact CD2-CD1 4Å; F215-I232 HydrophobicContact CD2-CG1 4.49Å; F215-I232 HydrophobicContact CE2-CD1 3.68Å; F215-I232 HydrophobicContact CE2-CG1 4.42Å; V230-I232 HydrophobicContact CG1-CG1 4.38Å |
| 233 | G | 76 | Confident | 79.2 | Confident | 24 Ų | 24 | 49.3 Ų | 49.3 | 25% | 0.247 | 28% | 0.28 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.6 | 139.8 | 168.9 | 0 | 0 | 0 | 0 | 0 | 110.9 | V139 S140 V141 | V139-G233 PolarHBondContact O-N 3.5Å; S140-G233 WeakPolarHBondContact CA-O 3.48Å; V141-G233 PolarHBondContact N-O 2.74Å |
| 234 | V | 83.2 | Confident | 80 | Confident | 11 Ų | 11 | 40.6 Ų | 40.6 | 7% | 0.067 | 24% | 0.239 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -88.7 | 135.2 | 166.9 | -167.9 | 0 | 0 | 0 | 0 | 107.9 | V141 E143 L202 Y204 R211 Y213 | V141-V234 HydrophobicContact CG1-CG2 4.49Å; V141-V234 CarbonylContact O-C 3.55Å; V141-V234 VanDerWaalsContact O-CA 3.3Å; V141-V234 WeakPolarHBondContact O-CA 3.45Å; E143-V234 HydrophobicContact CB-CG1 4.22Å; L202-V234 HydrophobicContact CB-CG1 4.32Å; L202-V234 HydrophobicContact CD1-CG1 4.41Å; L202-V234 HydrophobicContact CD1-CG2 4.17Å; Y204-V234 HydrophobicContact CD2-CB 4.27Å; Y204-V234 HydrophobicContact CD2-CG1 4.13Å; Y204-V234 WeakPolarHBondContact CE2-O 3.01Å; R211-V234 PolarHBondContact O-N 2.79Å; Y213-V234 HydrophobicContact CD2-CG2 4.4Å; Y213-V234 HydrophobicContact CE2-CG2 4.19Å |
| 235 | L | 78.1 | Confident | 79.8 | Confident | 61 Ų | 61 | 39.7 Ų | 39.7 | 32% | 0.319 | 24% | 0.24 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.7 | 135.5 | 176.5 | -61.3 | -178.6 | 0 | 0 | 0 | 110.9 | V141 Y142 E143 | V141-L235 PolarHBondContact O-N 2.83Å; Y142-L235 HydrophobicContact CD1-CB 3.7Å; Y142-L235 HydrophobicContact CD1-CD1 4Å; Y142-L235 HydrophobicContact CD1-CG 4.48Å; Y142-L235 HydrophobicContact CE1-CB 4.03Å; Y142-L235 HydrophobicContact CE1-CD1 3.63Å; Y142-L235 HydrophobicContact CE1-CG 4.5Å; Y142-L235 HydrophobicContact CE2-CD1 4.39Å; Y142-L235 HydrophobicContact CG-CB 4.4Å; E143-L235 PolarHBondContact N-O 3.04Å |
| 236 | D | 80.9 | Confident | 79 | Confident | 33 Ų | 33 | 41.2 Ų | 41.2 | 18% | 0.176 | 24% | 0.239 | C | C | . | . | trans | -56.8 | 131.5 | 167.4 | -168 | 97 | 0 | 0 | 0 | 109.7 | E143 Y204 S273 N276 | E143-D236 WeakPolarHBondContact OE1-CA 3.3Å; Y204-D236 HydrophobicContact CD1-CB 3.65Å; Y204-D236 WeakPolarHBondContact CD1-OD1 3.4Å; Y204-D236 HydrophobicContact CD2-CB 4.35Å; Y204-D236 HydrophobicContact CE1-CB 3.49Å; Y204-D236 VanDerWaalsContact CE1-CB 3.49Å; Y204-D236 WeakPolarHBondContact CE1-OD1 3.32Å; Y204-D236 HydrophobicContact CE2-CB 4.21Å; Y204-D236 HydrophobicContact CG-CB 4.11Å; D236-S273 WeakPolarHBondContact OD1-CB 3.49Å; D236-S273 PolarHBondContact OD1-N 2.89Å; D236-S273 PolarHBondContact OD1-OG 3.19Å; D236-N276 PolarHBondContact OD2-ND2 3.49Å | ||
| 237 | V | 79.1 | Confident | 78 | Confident | 41 Ų | 41 | 44.1 Ų | 44.1 | 25% | 0.248 | 26% | 0.258 | C | S | . | . | trans | -116.1 | 148.8 | 172.6 | 175.7 | 0 | 0 | 0 | 0 | 108.3 | Y142 E143 D239 | Y142-V237 HydrophobicContact CD1-CG2 3.9Å; Y142-V237 HydrophobicContact CG-CG2 4.38Å; E143-V237 HydrophobicContact CG-CB 4.11Å; E143-V237 HydrophobicContact CG-CG2 3.93Å; E143-V237 PolarHBondContact OE1-N 3.43Å; V237-D239 WeakPolarHBondContact O-CB 3.4Å; V237-D239 PolarHBondContact O-N 2.9Å | ||
| 238 | N | 80.6 | Confident | 77.1 | Confident | 10 Ų | 10 | 43.8 Ų | 43.8 | 5% | 0.053 | 25% | 0.25 | C | C | . | . | trans | -71.2 | 93.6 | 176.1 | -150 | 54.2 | 0 | 0 | 0 | 108.9 | D272 N276 D322 P326 R328 | N238-D272 WeakPolarHBondContact CA-OD2 3.35Å; N238-N276 PolarHBondContact N-ND2 2.95Å; N238-N276 WeakPolarHBondContact OD1-CA 3.48Å; N238-N276 WeakPolarHBondContact OD1-CB 3.46Å; N238-N276 VanDerWaalsContact OD1-CG 3.26Å; N238-N276 PolarHBondContact OD1-O 2.78Å; N238-D322 PolarHBondContact ND2-OD2 3.39Å; N238-P326 PolarHBondContact ND2-O 2.03Å; N238-R328 WeakPolarHBondContact ND2-CD 3.34Å; N238-R328 VanDerWaalsContact O-CZ 3.26Å; N238-R328 PolarHBondContact O-NE 2.86Å; N238-R328 PolarHBondContact O-NH2 2.87Å | ||
| 239 | D | 75.2 | Confident | 76.6 | Confident | 81 Ų | 81 | 44.6 Ų | 44.6 | 43% | 0.433 | 25% | 0.253 | S | S | . | . | trans | -113.1 | -38.1 | -161.6 | 170.1 | -93.7 | 0 | 0 | 0 | 112.1 | V237 D272 R328 | V237-D239 WeakPolarHBondContact O-CB 3.4Å; V237-D239 PolarHBondContact O-N 2.9Å; D239-D272 PolarHBondContact N-OD2 2.74Å; D239-R328 VanDerWaalsContact C-CZ 3.41Å; D239-R328 PolarHBondContact O-NH1 2.77Å; D239-R328 PolarHBondContact O-NH2 2.98Å | ||
| 240 | N | 74.6 | Confident | 75.9 | Confident | 25 Ų | 25 | 46.5 Ų | 46.5 | 13% | 0.134 | 27% | 0.267 | C | S | . | . | S | Bend | trans | -101.2 | 153.3 | 178 | -63.5 | -98.3 | 0 | 0 | 0 | 111.8 | K271 D272 R328 | N240-K271 HydrophobicContact CB-CB 4.26Å; N240-K271 PolarHBondContact OD1-NZ 2.81Å; N240-D272 WeakPolarHBondContact CB-OD1 3.47Å; N240-D272 PolarHBondContact N-OD1 3.22Å; N240-D272 PolarHBondContact N-OD2 2.92Å; N240-D272 VanDerWaalsContact N-OD2 3.08Å; N240-D272 PolarHBondContact ND2-OD1 2.74Å; N240-R328 WeakPolarHBondContact O-CD 3.42Å |
| 241 | D | 76.4 | Confident | 75.3 | Confident | 84 Ų | 84 | 47.8 Ų | 47.8 | 45% | 0.449 | 28% | 0.278 | S | S | . | . | P | Polyproline II helix | trans | -96 | 153 | 174.6 | -55.6 | -48.3 | 0 | 0 | 0 | 111.6 | R328 | D241-R328 WeakPolarHBondContact OD1-CB 3.24Å; D241-R328 VanDerWaalsContact OD1-CD 3.23Å; D241-R328 WeakPolarHBondContact OD1-CD 3.19Å; D241-R328 WeakPolarHBondContact OD1-CG 3.4Å; D241-R328 IonicContact OD1-CZ 2.64Å; D241-R328 IonicContact OD1-NE 3.06Å; D241-R328 IonicContact OD1-NH1 2.73Å; D241-R328 PolarHBondContact OD1-NH1 2.86Å; D241-R328 IonicContact OD2-NH1 3.91Å |
| 242 | P | 83.8 | Confident | 74.6 | Confident | 2 Ų | 2 | 49.7 Ų | 49.7 | 1% | 0.013 | 29% | 0.294 | C | S | . | . | P | Polyproline II helix | trans | -54.9 | 150.1 | 164.7 | -26 | 33.8 | 0 | 0 | 0 | 112.5 | R269 D270 L279 A320 D322 A330 | P242-R269 CarbonylContact C-O 3.51Å; P242-R269 WeakPolarHBondContact CA-O 3.42Å; P242-D270 WeakPolarHBondContact CA-OD2 3.44Å; P242-D270 WeakPolarHBondContact CD-OD2 3.41Å; P242-D270 WeakPolarHBondContact CG-OD2 3.34Å; P242-L279 HydrophobicContact CB-CD2 3.62Å; P242-L279 HydrophobicContact CG-CD2 3.53Å; P242-A320 HydrophobicContact CB-CB 4.36Å; P242-D322 HydrophobicContact CG-CB 4.2Å; P242-A330 HydrophobicContact CB-CB 4.27Å; P242-A330 WeakPolarHBondContact O-CB 3.36Å |
| 243 | V | 75.4 | Confident | 74.3 | Confident | 89 Ų | 89 | 50.8 Ų | 50.8 | 54% | 0.539 | 30% | 0.301 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -138.3 | 121.7 | 177.2 | -173.4 | 0 | 0 | 0 | 0 | 111.8 | A268 R269 | V243-A268 CarbonylContact O-C 3.6Å; V243-A268 WeakPolarHBondContact O-CA 3.23Å; V243-A268 WeakPolarHBondContact O-CB 3.49Å; V243-R269 PolarHBondContact N-O 2.88Å; V243-R269 PolarHBondContact O-N 3.09Å |
| 244 | F | 80.8 | Confident | 74.1 | Confident | 23 Ų | 23 | 54 Ų | 54 | 10% | 0.101 | 31% | 0.309 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -71.4 | 153.4 | 173.8 | -85.2 | -78 | 0 | 0 | 0 | 113.3 | V266 L267 A268 Y281 V318 A320 A330 T331 | F244-V266 HydrophobicContact CE1-CB 4.15Å; F244-V266 HydrophobicContact CE1-CG2 3.8Å; F244-L267 CarbonylContact C-O 3.51Å; F244-L267 WeakPolarHBondContact CA-O 3.42Å; F244-L267 WeakPolarHBondContact CD1-O 3.48Å; F244-A268 HydrophobicContact CD1-CB 3.89Å; F244-A268 HydrophobicContact CE1-CB 4.14Å; F244-A268 HydrophobicContact CG-CB 4.09Å; F244-Y281 AromaticContact CE1-CD1 4Å; F244-Y281 HydrophobicContact CE1-CD1 4Å; F244-Y281 AromaticContact CE1-CE1 3.79Å; F244-Y281 HydrophobicContact CE1-CE1 3.79Å; F244-Y281 HydrophobicContact CZ-CD1 4.08Å; F244-Y281 HydrophobicContact CZ-CE1 4.21Å; F244-V318 HydrophobicContact CE1-CG1 4.44Å; F244-V318 WeakPolarHBondContact CE2-O 3.5Å; F244-V318 HydrophobicContact CZ-CB 4.45Å; F244-V318 HydrophobicContact CZ-CG1 4.03Å; F244-A320 HydrophobicContact CD2-CB 4.33Å; F244-A320 HydrophobicContact CE1-CB 4.26Å; F244-A320 HydrophobicContact CE2-CB 3.61Å; F244-A320 HydrophobicContact CZ-CB 3.56Å; F244-A330 HydrophobicContact CD2-CB 4.41Å; F244-A330 WeakPolarHBondContact CE2-O 3.35Å; F244-T331 VanDerWaalsContact CD2-C 3.47Å; F244-T331 WeakPolarHBondContact CD2-O 3.42Å |
| 245 | T | 67.1 | Low | 73.6 | Confident | 56 Ų | 56 | 53.9 Ų | 53.9 | 34% | 0.344 | 31% | 0.307 | S | S | . | . | S | Bend | trans | -80.2 | -14.6 | 176.9 | 52.9 | 0 | 0 | 0 | 0 | 115.1 | Y249 L267 | T245-Y249 PolarHBondContact OG1-OH 2.92Å; T245-L267 HydrophobicContact CG2-CB 4.31Å; T245-L267 HydrophobicContact CG2-CD2 4.15Å; T245-L267 HydrophobicContact CG2-CG 4.14Å; T245-L267 PolarHBondContact N-O 3.33Å; T245-L267 PolarHBondContact OG1-O 3.05Å |
| 246 | Q | 63.5 | Low | 73.4 | Confident | 105 Ų | 105 | 55.9 Ų | 55.9 | 49% | 0.491 | 32% | 0.318 | S | S | . | . | trans | -152 | 148.8 | 177 | -58.1 | -171.8 | -77.7 | 0 | 0 | 109.8 | Y249 S332 | Q246-Y249 HydrophobicContact CB-CE1 4.29Å; Q246-Y249 HydrophobicContact CB-CE2 4.01Å; Q246-Y249 HydrophobicContact CG-CE1 4.42Å; Q246-Y249 VanDerWaalsContact OE1-CE1 3.24Å; Q246-S332 PolarHBondContact O-OG 3.43Å | ||
| 247 | P | 64.2 | Low | 73.1 | Confident | 99 Ų | 99 | 55.9 Ų | 55.9 | 64% | 0.643 | 32% | 0.317 | S | S | * | . | S | Bend | trans | -84.5 | -16.4 | 177.8 | 33.2 | -35.8 | 0 | 0 | 0 | 114.5 | S332 Q333 | P247-S332 VanDerWaalsContact C-OG 3.28Å; P247-S332 PolarHBondContact O-OG 3.15Å; P247-Q333 PolarHBondContact O-N 3.32Å |
| 248 | L | 64.6 | Low | 72.6 | Confident | 74 Ų | 74 | 57.6 Ų | 57.6 | 39% | 0.387 | 33% | 0.329 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -147.9 | 138.6 | 179.8 | 175.7 | 63.4 | 0 | 0 | 0 | 111.4 | Q333 | L248-Q333 CarbonylContact C-O 3.53Å; L248-Q333 VanDerWaalsContact CA-O 3.31Å; L248-Q333 WeakPolarHBondContact CA-O 3.27Å; L248-Q333 HydrophobicContact CB-CB 4.48Å; L248-Q333 HydrophobicContact CD1-CB 3.6Å |
| 249 | Y | 73.3 | Confident | 72.4 | Confident | 22 Ų | 22 | 62.2 Ų | 62.2 | 9% | 0.086 | 35% | 0.353 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.9 | 154.3 | 172.3 | -58.1 | -103.4 | 0 | 0 | 0 | 110.4 | T245 Q246 L264 V266 L267 S332 Q333 V334 H335 | T245-Y249 PolarHBondContact OG1-OH 2.92Å; Q246-Y249 HydrophobicContact CB-CE1 4.29Å; Q246-Y249 HydrophobicContact CB-CE2 4.01Å; Q246-Y249 HydrophobicContact CG-CE1 4.42Å; Q246-Y249 VanDerWaalsContact OE1-CE1 3.24Å; Y249-L264 HydrophobicContact CG-CD1 4.44Å; Y249-V266 HydrophobicContact CD1-CG1 4.08Å; Y249-V266 HydrophobicContact CD2-CB 4.37Å; Y249-V266 HydrophobicContact CD2-CG1 3.58Å; Y249-V266 HydrophobicContact CE1-CB 4.18Å; Y249-V266 HydrophobicContact CE1-CG1 4.05Å; Y249-V266 HydrophobicContact CE2-CB 3.82Å; Y249-V266 HydrophobicContact CE2-CG1 3.54Å; Y249-V266 HydrophobicContact CG-CG1 3.87Å; Y249-L267 PolarHBondContact OH-N 2.98Å; Y249-S332 WeakPolarHBondContact CE2-OG 3.37Å; Y249-Q333 PolarHBondContact N-O 3.4Å; Y249-V334 CarbonylContact O-C 3.53Å; Y249-V334 VanDerWaalsContact O-CA 3.29Å; Y249-V334 WeakPolarHBondContact O-CA 3.26Å; Y249-H335 PolarHBondContact O-N 3Å |
| 250 | S | 67.9 | Low | 72.5 | Confident | 89 Ų | 89 | 60.6 Ų | 60.6 | 62% | 0.622 | 36% | 0.355 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -153.9 | 154.7 | -179.2 | 59 | 0 | 0 | 0 | 0 | 116.2 | H335 | S250-H335 CarbonylContact C-O 3.59Å; S250-H335 VanDerWaalsContact CA-O 3.22Å; S250-H335 WeakPolarHBondContact CA-O 3.05Å |
| 251 | A | 72.8 | Confident | 72.6 | Confident | 27 Ų | 27 | 64 Ų | 64 | 22% | 0.223 | 37% | 0.37 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -155.3 | 178.2 | 178.7 | 0 | 0 | 0 | 0 | 0 | 113.6 | I263 L264 H335 R337 | A251-I263 HydrophobicContact CB-CG2 3.46Å; A251-I263 VanDerWaalsContact CB-CG2 3.46Å; A251-L264 HydrophobicContact CB-CD2 3.87Å; A251-H335 PolarHBondContact N-O 2.92Å; A251-R337 PolarHBondContact O-N 2.94Å |
| 252 | S | 63.7 | Low | 72.5 | Confident | 85 Ų | 85 | 64.1 Ų | 64.1 | 59% | 0.594 | 38% | 0.376 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -150.2 | 145.3 | 174 | -55.2 | 0 | 0 | 0 | 0 | 111.1 | ||
| 253 | V | 78.6 | Confident | 72.3 | Confident | 26 Ų | 26 | 65.6 Ų | 65.6 | 16% | 0.158 | 38% | 0.383 | C | S | . | . | trans | -146.4 | -177.7 | -173.9 | -65.8 | 0 | 0 | 0 | 0 | 109.7 | H257 I263 L302 I336 R337 T338 | V253-H257 HydrophobicContact CB-CB 4.25Å; V253-I263 HydrophobicContact CG1-CD1 4.28Å; V253-I263 HydrophobicContact CG1-CG1 4.28Å; V253-I263 HydrophobicContact CG1-CG2 4.5Å; V253-L302 HydrophobicContact CG2-CD1 3.57Å; V253-I336 HydrophobicContact CG2-CG2 4.06Å; V253-R337 CarbonylContact C-O 3.56Å; V253-R337 WeakPolarHBondContact CG2-O 3.28Å; V253-R337 PolarHBondContact N-O 2.9Å; V253-T338 CarbonylContact O-C 3.56Å; V253-T338 WeakPolarHBondContact O-CA 3.19Å | ||
| 254 | K | 72.4 | Confident | 72.7 | Confident | 92 Ų | 92 | 62.7 Ų | 62.7 | 40% | 0.4 | 36% | 0.364 | S | S | . | . | trans | -99 | 168.9 | 169.4 | -73.7 | 179.9 | 152.7 | -75.9 | 0 | 110.7 | D256 H257 E339 | K254-D256 WeakPolarHBondContact CB-OD1 3.46Å; K254-D256 WeakPolarHBondContact CD-OD1 3.41Å; K254-H257 WeakPolarHBondContact O-CB 3.42Å; K254-E339 VanDerWaalsContact CE-OE2 3.32Å; K254-E339 WeakPolarHBondContact CE-OE2 3.12Å; K254-E339 HydrophobicContact CG-CB 4.24Å; K254-E339 WeakPolarHBondContact CG-OE2 3.33Å; K254-E339 IonicContact NZ-OE2 3.09Å; K254-E339 PolarHBondContact NZ-OE2 2.88Å | ||
| 255 | E | 73.3 | Confident | 72.7 | Confident | 7 Ų | 7 | 67.1 Ų | 67.1 | 3% | 0.033 | 39% | 0.385 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -71.7 | -33.1 | 170.9 | 80.5 | -175 | 166.3 | 0 | 0 | 112.8 | H257 L302 A304 E339 V341 | E255-H257 PolarHBondContact O-N 2.73Å; E255-L302 CarbonylContact C-O 3.58Å; E255-L302 WeakPolarHBondContact CB-O 3.36Å; E255-L302 VanDerWaalsContact O-O 3.05Å; E255-A304 HydrophobicContact CB-CB 4.27Å; E255-A304 VanDerWaalsContact OE2-CB 3.22Å; E255-A304 WeakPolarHBondContact OE2-CB 3.4Å; E255-A304 PolarHBondContact OE2-N 3.27Å; E255-E339 WeakPolarHBondContact CB-O 3.44Å; E255-E339 WeakPolarHBondContact CG-O 3Å; E255-E339 PolarHBondContact N-O 3.43Å; E255-V341 VanDerWaalsContact OE1-CB 3.32Å; E255-V341 WeakPolarHBondContact OE1-CB 3.48Å; E255-V341 WeakPolarHBondContact OE1-CG2 3.45Å; E255-V341 PolarHBondContact OE1-N 3.26Å |
| 256 | D | 73 | Confident | 73.4 | Confident | 104 Ų | 104 | 64.6 Ų | 64.6 | 56% | 0.556 | 37% | 0.37 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -70.9 | 11.3 | 174.6 | 79.4 | -28.7 | 0 | 0 | 0 | 113.7 | K254 | K254-D256 WeakPolarHBondContact CB-OD1 3.46Å; K254-D256 WeakPolarHBondContact CD-OD1 3.41Å |
| 257 | H | 74.9 | Confident | 74.3 | Confident | 33 Ų | 33 | 63.5 Ų | 63.5 | 15% | 0.153 | 37% | 0.367 | C | S | . | . | P | Polyproline II helix | trans | -71.5 | 126.3 | -176.1 | -166.8 | 49.1 | 0 | 0 | 0 | 112.1 | V253 K254 E255 | V253-H257 HydrophobicContact CB-CB 4.25Å; K254-H257 WeakPolarHBondContact O-CB 3.42Å; E255-H257 PolarHBondContact O-N 2.73Å |
| 258 | P | 69.4 | Low | 75.2 | Confident | 76 Ų | 76 | 59.1 Ų | 59.1 | 49% | 0.494 | 34% | 0.339 | S | S | . | . | P | Polyproline II helix | trans | -63.9 | 135.5 | -174.1 | -26.6 | 36.2 | 0 | 0 | 0 | 115.4 | G260 Q261 | P258-G260 PolarHBondContact O-N 2.91Å; P258-Q261 WeakPolarHBondContact O-CB 3.35Å; P258-Q261 PolarHBondContact O-N 2.88Å |
| 259 | I | 76 | Confident | 75.9 | Confident | 108 Ų | 108 | 64 Ų | 64 | 55% | 0.554 | 35% | 0.352 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -52.8 | 134.5 | 172.4 | -62.3 | 174.9 | 0 | 0 | 0 | 110.8 | Q261 R299 V300 | I259-Q261 VanDerWaalsContact C-N 3.35Å; I259-Q261 PolarHBondContact O-N 3.46Å; I259-R299 WeakPolarHBondContact CG2-O 3.48Å; I259-V300 VanDerWaalsContact CG1-C 3.47Å |
| 260 | G | 77 | Confident | 76.3 | Confident | 47 Ų | 47 | 64.6 Ų | 64.6 | 49% | 0.485 | 36% | 0.357 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 82.5 | -1.3 | 176.7 | 0 | 0 | 0 | 0 | 0 | 115.8 | P258 P298 | P258-G260 PolarHBondContact O-N 2.91Å; G260-P298 PolarHBondContact N-O 3.34Å |
| 261 | Q | 76.4 | Confident | 76.6 | Confident | 96 Ų | 96 | 67.4 Ų | 67.4 | 45% | 0.449 | 36% | 0.358 | S | S | . | . | trans | -76.6 | 130.7 | 174.8 | -169.6 | 170.9 | -18.1 | 0 | 0 | 111.1 | P258 I259 S297 P298 | P258-Q261 WeakPolarHBondContact O-CB 3.35Å; P258-Q261 PolarHBondContact O-N 2.88Å; I259-Q261 VanDerWaalsContact C-N 3.35Å; I259-Q261 PolarHBondContact O-N 3.46Å; Q261-S297 WeakPolarHBondContact O-CA 3.46Å; Q261-S297 VanDerWaalsContact O-CB 3.22Å; Q261-S297 WeakPolarHBondContact O-CB 3.46Å; Q261-P298 WeakPolarHBondContact O-CD 3.33Å | ||
| 262 | P | 75.4 | Confident | 77.1 | Confident | 87 Ų | 87 | 66.7 Ų | 66.7 | 57% | 0.565 | 35% | 0.35 | S | S | * | . | trans | -70.3 | 134 | -177 | 27.1 | -34.9 | 0 | 0 | 0 | 112.8 | V295 I296 | P262-V295 HydrophobicContact CB-CG1 3.76Å; P262-I296 WeakPolarHBondContact CA-O 3.41Å | ||
| 263 | I | 78.9 | Confident | 77.7 | Confident | 33 Ų | 33 | 63.8 Ų | 63.8 | 17% | 0.169 | 33% | 0.33 | C | S | . | . | trans | -101.6 | -51.4 | -178.4 | -62.5 | 173.9 | 0 | 0 | 0 | 111.1 | A251 V253 F288 I296 P298 I336 | A251-I263 HydrophobicContact CB-CG2 3.46Å; A251-I263 VanDerWaalsContact CB-CG2 3.46Å; V253-I263 HydrophobicContact CG1-CD1 4.28Å; V253-I263 HydrophobicContact CG1-CG1 4.28Å; V253-I263 HydrophobicContact CG1-CG2 4.5Å; I263-F288 HydrophobicContact CD1-CD1 4.24Å; I263-F288 HydrophobicContact CD1-CE1 3.85Å; I263-I296 PolarHBondContact N-O 3.4Å; I263-P298 HydrophobicContact CD1-CB 4.35Å; I263-P298 HydrophobicContact CD1-CG 4.15Å; I263-I336 HydrophobicContact CD1-CD1 4.12Å; I263-I336 HydrophobicContact CD1-CG2 4.23Å; I263-I336 HydrophobicContact CG2-CD1 4.03Å; I263-I336 HydrophobicContact CG2-CG1 4.36Å | ||
| 264 | L | 83.4 | Confident | 77.6 | Confident | 28 Ų | 28 | 70.1 Ų | 70.1 | 15% | 0.147 | 36% | 0.363 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -155.3 | 178.7 | 178.6 | 67.7 | 89.6 | 0 | 0 | 0 | 113 | Y249 A251 V266 I296 V334 | Y249-L264 HydrophobicContact CG-CD1 4.44Å; A251-L264 HydrophobicContact CB-CD2 3.87Å; L264-V266 HydrophobicContact CD1-CG1 4.2Å; L264-I296 HydrophobicContact CD1-CD1 3.83Å; L264-I296 PolarHBondContact O-N 3Å; L264-V334 HydrophobicContact CD1-CG1 4.24Å; L264-V334 HydrophobicContact CD2-CG1 3.9Å |
| 265 | Q | 81.1 | Confident | 77.8 | Confident | 116 Ų | 116 | 70.3 Ų | 70.3 | 54% | 0.542 | 37% | 0.368 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -140.9 | 142.9 | -179.5 | -176.7 | 178 | 11 | 0 | 0 | 112.5 | N293 G294 V295 | Q265-N293 PolarHBondContact NE2-O 3.28Å; Q265-G294 CarbonylContact C-O 3.52Å; Q265-G294 VanDerWaalsContact CA-O 3.29Å; Q265-G294 WeakPolarHBondContact CA-O 3.34Å; Q265-V295 HydrophobicContact CB-CG2 4.13Å; Q265-V295 HydrophobicContact CG-CG2 3.76Å |
| 266 | V | 82.3 | Confident | 78 | Confident | 2 Ų | 2 | 71.1 Ų | 71.1 | 1% | 0.012 | 37% | 0.373 | C | S | . | . | trans | -114.5 | 168.8 | 175.4 | -50.8 | 0 | 0 | 0 | 0 | 112.7 | F244 Y249 L264 Y281 I290 G294 I296 V318 V334 | F244-V266 HydrophobicContact CE1-CB 4.15Å; F244-V266 HydrophobicContact CE1-CG2 3.8Å; Y249-V266 HydrophobicContact CD1-CG1 4.08Å; Y249-V266 HydrophobicContact CD2-CB 4.37Å; Y249-V266 HydrophobicContact CD2-CG1 3.58Å; Y249-V266 HydrophobicContact CE1-CB 4.18Å; Y249-V266 HydrophobicContact CE1-CG1 4.05Å; Y249-V266 HydrophobicContact CE2-CB 3.82Å; Y249-V266 HydrophobicContact CE2-CG1 3.54Å; Y249-V266 HydrophobicContact CG-CG1 3.87Å; L264-V266 HydrophobicContact CD1-CG1 4.2Å; V266-Y281 HydrophobicContact CG2-CD1 4.13Å; V266-Y281 HydrophobicContact CG2-CE1 4.23Å; V266-I290 HydrophobicContact CG2-CD1 4Å; V266-G294 PolarHBondContact N-O 2.87Å; V266-I296 HydrophobicContact CG1-CD1 4.34Å; V266-V318 HydrophobicContact CG2-CG1 4.02Å; V266-V334 HydrophobicContact CG1-CG2 4.48Å | ||
| 267 | L | 80.8 | Confident | 78.2 | Confident | 83 Ų | 83 | 67.4 Ų | 67.4 | 44% | 0.435 | 36% | 0.359 | S | S | . | . | trans | -150.9 | 140.9 | 177.8 | -179.8 | 63.3 | 0 | 0 | 0 | 113 | F244 T245 Y249 | F244-L267 CarbonylContact C-O 3.51Å; F244-L267 WeakPolarHBondContact CA-O 3.42Å; F244-L267 WeakPolarHBondContact CD1-O 3.48Å; T245-L267 HydrophobicContact CG2-CB 4.31Å; T245-L267 HydrophobicContact CG2-CD2 4.15Å; T245-L267 HydrophobicContact CG2-CG 4.14Å; T245-L267 PolarHBondContact N-O 3.33Å; T245-L267 PolarHBondContact OG1-O 3.05Å; Y249-L267 PolarHBondContact OH-N 2.98Å | ||
| 268 | A | 83.5 | Confident | 78.5 | Confident | 7 Ų | 7 | 73 Ų | 73 | 6% | 0.058 | 38% | 0.378 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.1 | 172.1 | 173.6 | 0 | 0 | 0 | 0 | 0 | 112.8 | V243 F244 L279 Y281 A320 | V243-A268 CarbonylContact O-C 3.6Å; V243-A268 WeakPolarHBondContact O-CA 3.23Å; V243-A268 WeakPolarHBondContact O-CB 3.49Å; F244-A268 HydrophobicContact CD1-CB 3.89Å; F244-A268 HydrophobicContact CE1-CB 4.14Å; F244-A268 HydrophobicContact CG-CB 4.09Å; A268-L279 VanDerWaalsContact C-CD1 3.5Å; A268-L279 HydrophobicContact CB-CD1 3.69Å; A268-Y281 HydrophobicContact CB-CE1 3.89Å; A268-Y281 PolarHBondContact N-OH 2.98Å; A268-A320 HydrophobicContact CB-CB 3.63Å |
| 269 | R | 79.3 | Confident | 79.2 | Confident | 175 Ų | 175 | 71.2 Ų | 71.2 | 66% | 0.66 | 37% | 0.365 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -148.1 | 155.2 | -178.8 | -63.4 | -175.2 | 177 | -141.7 | -5.1 | 112.7 | P242 V243 | P242-R269 CarbonylContact C-O 3.51Å; P242-R269 WeakPolarHBondContact CA-O 3.42Å; V243-R269 PolarHBondContact N-O 2.88Å; V243-R269 PolarHBondContact O-N 3.09Å |
| 270 | D | 81.7 | Confident | 79.6 | Confident | 35 Ų | 35 | 67.7 Ų | 67.7 | 19% | 0.187 | 35% | 0.35 | C | S | . | . | trans | -128.4 | 175 | 173.9 | -143.9 | -69.6 | 0 | 0 | 0 | 111.4 | P242 D272 L279 | P242-D270 WeakPolarHBondContact CA-OD2 3.44Å; P242-D270 WeakPolarHBondContact CD-OD2 3.41Å; P242-D270 WeakPolarHBondContact CG-OD2 3.34Å; D270-D272 PolarHBondContact OD1-N 3.31Å; D270-L279 HydrophobicContact CB-CD2 4.14Å; D270-L279 HydrophobicContact CB-CG 4.46Å | ||
| 271 | K | 75.5 | Confident | 80.1 | Confident | 149 Ų | 149 | 67 Ų | 67 | 65% | 0.648 | 33% | 0.333 | S | S | * | . | trans | -112.9 | -33.3 | 171.5 | -64.4 | -171.6 | -152.5 | 136.9 | 0 | 114.2 | N240 | N240-K271 HydrophobicContact CB-CB 4.26Å; N240-K271 PolarHBondContact OD1-NZ 2.81Å | ||
| 272 | D | 82.9 | Confident | 80.6 | Confident | 11 Ų | 11 | 65 Ų | 65 | 6% | 0.059 | 33% | 0.329 | C | S | . | . | S | Bend | trans | -70.3 | 171.8 | -164.2 | -65.8 | 6.8 | 0 | 0 | 0 | 112.3 | N238 D239 N240 D270 N276 G277 | N238-D272 WeakPolarHBondContact CA-OD2 3.35Å; D239-D272 PolarHBondContact N-OD2 2.74Å; N240-D272 WeakPolarHBondContact CB-OD1 3.47Å; N240-D272 PolarHBondContact N-OD1 3.22Å; N240-D272 PolarHBondContact N-OD2 2.92Å; N240-D272 VanDerWaalsContact N-OD2 3.08Å; N240-D272 PolarHBondContact ND2-OD1 2.74Å; D270-D272 PolarHBondContact OD1-N 3.31Å; D272-N276 HydrophobicContact CB-CB 3.46Å; D272-N276 VanDerWaalsContact CB-CB 3.46Å; D272-G277 WeakPolarHBondContact O-CA 3.33Å; D272-G277 PolarHBondContact O-N 3.43Å |
| 273 | S | 76.3 | Confident | 81.1 | Confident | 25 Ų | 25 | 62.7 Ų | 62.7 | 18% | 0.175 | 31% | 0.312 | C | S | . | . | S | Bend | trans | -89.8 | 150.2 | -169.9 | -52.2 | 0 | 0 | 0 | 0 | 114.9 | Y204 D236 L275 N276 | Y204-S273 WeakPolarHBondContact CE1-OG 3.39Å; D236-S273 WeakPolarHBondContact OD1-CB 3.49Å; D236-S273 PolarHBondContact OD1-N 2.89Å; D236-S273 PolarHBondContact OD1-OG 3.19Å; S273-L275 PolarHBondContact O-N 3.47Å; S273-N276 WeakPolarHBondContact O-CB 3.42Å; S273-N276 PolarHBondContact O-N 2.93Å |
| 274 | D | 75.8 | Confident | 81.1 | Confident | 158 Ų | 158 | 64.6 Ų | 64.6 | 85% | 0.845 | 33% | 0.329 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 51.3 | -79.4 | 169.6 | -74.7 | -41.2 | 0 | 0 | 0 | 117.7 | ||
| 275 | L | 77.7 | Confident | 81.1 | Confident | 96 Ų | 96 | 64.6 Ų | 64.6 | 50% | 0.503 | 33% | 0.329 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -102.2 | -37.2 | 177.1 | -73.7 | 177.9 | 0 | 0 | 0 | 112.1 | S273 G277 R278 H323 | S273-L275 PolarHBondContact O-N 3.47Å; L275-G277 VanDerWaalsContact C-N 3.28Å; L275-G277 PolarHBondContact O-N 3Å; L275-R278 WeakPolarHBondContact O-CB 3.35Å; L275-R278 PolarHBondContact O-N 3.03Å; L275-H323 HydrophobicContact CB-CB 4.47Å; L275-H323 HydrophobicContact CD2-CB 4.35Å; L275-H323 CarbonylContact O-C 3.57Å; L275-H323 VanDerWaalsContact O-C 3.28Å; L275-H323 WeakPolarHBondContact O-CA 3.04Å; L275-H323 WeakPolarHBondContact O-CB 3.24Å; L275-H323 PolarHBondContact O-N 3.03Å |
| 276 | N | 76.9 | Confident | 81 | Confident | 25 Ų | 25 | 66.7 Ų | 66.7 | 13% | 0.134 | 34% | 0.336 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -57.1 | -42.8 | 176.3 | -68.7 | 9.9 | 0 | 0 | 0 | 110.4 | D236 N238 D272 S273 R278 D322 G324 | D236-N276 PolarHBondContact OD2-ND2 3.49Å; N238-N276 PolarHBondContact N-ND2 2.95Å; N238-N276 WeakPolarHBondContact OD1-CA 3.48Å; N238-N276 WeakPolarHBondContact OD1-CB 3.46Å; N238-N276 VanDerWaalsContact OD1-CG 3.26Å; N238-N276 PolarHBondContact OD1-O 2.78Å; D272-N276 HydrophobicContact CB-CB 3.46Å; D272-N276 VanDerWaalsContact CB-CB 3.46Å; S273-N276 WeakPolarHBondContact O-CB 3.42Å; S273-N276 PolarHBondContact O-N 2.93Å; N276-R278 PolarHBondContact O-N 3.47Å; N276-D322 WeakPolarHBondContact O-CB 3.11Å; N276-G324 WeakPolarHBondContact OD1-CA 3.42Å |
| 277 | G | 76.5 | Confident | 80.9 | Confident | 26 Ų | 26 | 69 Ų | 69 | 27% | 0.268 | 35% | 0.348 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -85.5 | 14.8 | 175.2 | 0 | 0 | 0 | 0 | 0 | 117 | D272 L275 | D272-G277 WeakPolarHBondContact O-CA 3.33Å; D272-G277 PolarHBondContact O-N 3.43Å; L275-G277 VanDerWaalsContact C-N 3.28Å; L275-G277 PolarHBondContact O-N 3Å |
| 278 | R | 82.3 | Confident | 81.3 | Confident | 149 Ų | 149 | 65.1 Ų | 65.1 | 56% | 0.562 | 33% | 0.328 | S | S | * | . | trans | -106.7 | 105.3 | -168.6 | -175.2 | 176.9 | 171.7 | 172.2 | -0.9 | 113.5 | L275 N276 D322 H323 | L275-R278 WeakPolarHBondContact O-CB 3.35Å; L275-R278 PolarHBondContact O-N 3.03Å; N276-R278 PolarHBondContact O-N 3.47Å; R278-D322 CarbonylContact O-C 3.51Å; R278-D322 VanDerWaalsContact O-C 3.25Å; R278-D322 WeakPolarHBondContact O-CA 3.46Å; R278-H323 HydrophobicContact CB-CB 4.47Å; R278-H323 PolarHBondContact O-CD2 3.06Å; R278-H323 PolarHBondContact O-N 3.36Å; R278-H323 VanDerWaalsContact O-N 3.12Å | ||
| 279 | L | 83.5 | Confident | 81.5 | Confident | 40 Ų | 40 | 68 Ų | 68 | 21% | 0.209 | 35% | 0.345 | C | S | . | . | trans | -81.5 | 148.4 | -174.1 | -54.1 | -174.6 | 0 | 0 | 0 | 115.8 | P242 A268 D270 T321 D322 | P242-L279 HydrophobicContact CB-CD2 3.62Å; P242-L279 HydrophobicContact CG-CD2 3.53Å; A268-L279 VanDerWaalsContact C-CD1 3.5Å; A268-L279 HydrophobicContact CB-CD1 3.69Å; D270-L279 HydrophobicContact CB-CD2 4.14Å; D270-L279 HydrophobicContact CB-CG 4.46Å; L279-T321 CarbonylContact C-O 3.52Å; L279-T321 WeakPolarHBondContact CA-O 3.44Å; L279-D322 HydrophobicContact CD2-CB 4.2Å | ||
| 280 | S | 84.6 | Confident | 82 | Confident | 34 Ų | 34 | 60.9 Ų | 60.9 | 24% | 0.238 | 32% | 0.319 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.6 | 151.6 | 165.8 | 60.6 | 0 | 0 | 0 | 0 | 109.5 | A320 T321 H323 | S280-A320 WeakPolarHBondContact O-CA 3.47Å; S280-T321 PolarHBondContact N-O 3.3Å; S280-T321 PolarHBondContact O-N 3.5Å; S280-T321 PolarHBondContact OG-O 3.13Å; S280-H323 PolarHBondContact OG-CE1 2.83Å |
| 281 | Y | 86.8 | Confident | 82 | Confident | 32 Ų | 32 | 62.5 Ų | 62.5 | 13% | 0.125 | 33% | 0.328 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.8 | 140 | -179.6 | -59.4 | -87.8 | 0 | 0 | 0 | 111.5 | F244 V266 A268 D292 T319 A320 | F244-Y281 AromaticContact CE1-CD1 4Å; F244-Y281 HydrophobicContact CE1-CD1 4Å; F244-Y281 AromaticContact CE1-CE1 3.79Å; F244-Y281 HydrophobicContact CE1-CE1 3.79Å; F244-Y281 HydrophobicContact CZ-CD1 4.08Å; F244-Y281 HydrophobicContact CZ-CE1 4.21Å; V266-Y281 HydrophobicContact CG2-CD1 4.13Å; V266-Y281 HydrophobicContact CG2-CE1 4.23Å; A268-Y281 HydrophobicContact CB-CE1 3.89Å; A268-Y281 PolarHBondContact N-OH 2.98Å; Y281-D292 WeakPolarHBondContact CD2-O 3.1Å; Y281-D292 WeakPolarHBondContact CE2-O 3.27Å; Y281-T319 WeakPolarHBondContact CA-O 3.49Å; Y281-A320 HydrophobicContact CD1-CB 4.03Å; Y281-A320 HydrophobicContact CE1-CB 4Å |
| 282 | S | 86.6 | Confident | 81.9 | Confident | 54 Ų | 54 | 61.8 Ų | 61.8 | 38% | 0.378 | 33% | 0.331 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.7 | 161.4 | 171.9 | 60.3 | 0 | 0 | 0 | 0 | 110.5 | V318 T319 | S282-V318 CarbonylContact O-C 3.48Å; S282-V318 WeakPolarHBondContact O-CA 3.44Å; S282-V318 VanDerWaalsContact O-CG1 3.27Å; S282-V318 WeakPolarHBondContact O-CG1 3.45Å; S282-T319 PolarHBondContact N-O 3.43Å; S282-T319 PolarHBondContact O-N 2.78Å |
| 283 | L | 86.7 | Confident | 81.6 | Confident | 38 Ų | 38 | 66.7 Ų | 66.7 | 20% | 0.199 | 36% | 0.357 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -133 | 158.9 | 174.9 | 56 | 54.9 | 0 | 0 | 0 | 111.6 | D285 F288 I290 I296 F316 V317 V318 | L283-D285 WeakPolarHBondContact CD1-O 3.47Å; L283-F288 HydrophobicContact CD2-CB 3.81Å; L283-I290 HydrophobicContact CB-CG2 4.33Å; L283-I290 HydrophobicContact CD2-CB 3.95Å; L283-I290 HydrophobicContact CD2-CG2 4.35Å; L283-I290 HydrophobicContact CG-CB 4.04Å; L283-I290 HydrophobicContact CG-CG2 3.86Å; L283-I296 HydrophobicContact CD2-CG2 4.42Å; L283-F316 HydrophobicContact CB-CD2 4.24Å; L283-F316 HydrophobicContact CB-CE2 4.3Å; L283-F316 HydrophobicContact CD2-CD2 4.4Å; L283-F316 HydrophobicContact CD2-CE2 3.77Å; L283-F316 HydrophobicContact CD2-CZ 4.44Å; L283-V317 WeakPolarHBondContact CA-O 3.42Å; L283-V318 HydrophobicContact CB-CG2 4.08Å |
| 284 | S | 79.9 | Confident | 81.9 | Confident | 74 Ų | 74 | 65.5 Ų | 65.5 | 52% | 0.517 | 35% | 0.349 | S | S | . | . | S | Bend | trans | -89.1 | -32.4 | -174.7 | 42.4 | 0 | 0 | 0 | 0 | 114.2 | V317 | S284-V317 PolarHBondContact N-O 3.28Å; S284-V317 WeakPolarHBondContact OG-CA 3.32Å; S284-V317 PolarHBondContact OG-N 2.99Å; S284-V317 PolarHBondContact OG-O 2.93Å |
| 285 | D | 81.6 | Confident | 82.3 | Confident | 28 Ų | 28 | 59.6 Ų | 59.6 | 15% | 0.15 | 32% | 0.319 | C | S | . | . | trans | -87.6 | 116.9 | -179.1 | -178.2 | -1.7 | 0 | 0 | 0 | 112.7 | L283 N287 F288 F316 | L283-D285 WeakPolarHBondContact CD1-O 3.47Å; D285-N287 PolarHBondContact O-N 2.98Å; D285-N287 VanDerWaalsContact OD1-CB 3.25Å; D285-N287 WeakPolarHBondContact OD1-CB 3.37Å; D285-N287 VanDerWaalsContact OD1-CG 3.31Å; D285-N287 PolarHBondContact OD1-N 2.82Å; D285-N287 PolarHBondContact OD1-ND2 2.67Å; D285-F288 HydrophobicContact CB-CD2 4.33Å; D285-F288 PolarHBondContact O-N 3.27Å; D285-F288 WeakPolarHBondContact OD2-CE2 3.21Å; D285-F316 HydrophobicContact CB-CB 3.44Å; D285-F316 VanDerWaalsContact CB-CB 3.44Å; D285-F316 HydrophobicContact CB-CD1 3.73Å; D285-F316 HydrophobicContact CB-CD2 4.33Å; D285-F316 HydrophobicContact CB-CG 3.61Å | ||
| 286 | K | 79.5 | Confident | 82.7 | Confident | 160 Ų | 160 | 55 Ų | 55 | 70% | 0.696 | 30% | 0.295 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -65.4 | -17.8 | -177.9 | -59.5 | 166.9 | -170.4 | 162.9 | 0 | 113.3 | F288 R299 | K286-F288 PolarHBondContact O-N 3.23Å; K286-R299 WeakPolarHBondContact O-CD 3.25Å |
| 287 | N | 80.3 | Confident | 83.1 | Confident | 49 Ų | 49 | 54.7 Ų | 54.7 | 26% | 0.262 | 29% | 0.294 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -69.7 | -15.5 | 176.9 | -63.6 | -52 | 0 | 0 | 0 | 112.8 | D285 R299 V300 Y314 | D285-N287 PolarHBondContact O-N 2.98Å; D285-N287 VanDerWaalsContact OD1-CB 3.25Å; D285-N287 WeakPolarHBondContact OD1-CB 3.37Å; D285-N287 VanDerWaalsContact OD1-CG 3.31Å; D285-N287 PolarHBondContact OD1-N 2.82Å; D285-N287 PolarHBondContact OD1-ND2 2.67Å; N287-R299 WeakPolarHBondContact O-CB 3.46Å; N287-R299 PolarHBondContact O-N 2.95Å; N287-V300 HydrophobicContact CB-CG2 4.12Å; N287-Y314 HydrophobicContact CB-CD1 4.45Å; N287-Y314 HydrophobicContact CB-CE1 4.33Å |
| 288 | F | 89.5 | Confident | 83.3 | Confident | 3 Ų | 3 | 53.4 Ų | 53.4 | 1% | 0.013 | 28% | 0.282 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.3 | 169.1 | 178.8 | -58.3 | -83 | 0 | 0 | 0 | 111.5 | I263 L283 D285 K286 I296 S297 P298 L302 Y314 F316 I336 | I263-F288 HydrophobicContact CD1-CD1 4.24Å; I263-F288 HydrophobicContact CD1-CE1 3.85Å; L283-F288 HydrophobicContact CD2-CB 3.81Å; D285-F288 HydrophobicContact CB-CD2 4.33Å; D285-F288 PolarHBondContact O-N 3.27Å; D285-F288 WeakPolarHBondContact OD2-CE2 3.21Å; K286-F288 PolarHBondContact O-N 3.23Å; F288-I296 HydrophobicContact CB-CG2 4.05Å; F288-I296 HydrophobicContact CD1-CG2 4.3Å; F288-I296 HydrophobicContact CG-CG2 4.38Å; F288-S297 CarbonylContact C-O 3.58Å; F288-S297 VanDerWaalsContact CA-O 3.25Å; F288-S297 WeakPolarHBondContact CA-O 3.37Å; F288-S297 WeakPolarHBondContact CB-O 3.29Å; F288-P298 HydrophobicContact CD1-CB 4.24Å; F288-P298 HydrophobicContact CE1-CB 4.16Å; F288-L302 HydrophobicContact CE1-CD1 4.4Å; F288-L302 HydrophobicContact CE1-CD2 4.17Å; F288-L302 HydrophobicContact CZ-CD2 4Å; F288-Y314 AromaticContact CE2-CD1 3.95Å; F288-Y314 HydrophobicContact CE2-CD1 3.95Å; F288-Y314 HydrophobicContact CE2-CD2 4Å; F288-Y314 AromaticContact CE2-CG 3.58Å; F288-Y314 HydrophobicContact CE2-CG 3.58Å; F288-Y314 HydrophobicContact CZ-CD1 4.41Å; F288-Y314 AromaticContact CZ-CD2 3.69Å; F288-Y314 HydrophobicContact CZ-CD2 3.69Å; F288-Y314 HydrophobicContact CZ-CE2 4.26Å; F288-Y314 AromaticContact CZ-CG 3.78Å; F288-Y314 HydrophobicContact CZ-CG 3.78Å; F288-F316 HydrophobicContact CB-CZ 4.2Å; F288-F316 HydrophobicContact CD2-CD1 4.04Å; F288-F316 AromaticContact CD2-CE1 3.38Å; F288-F316 HydrophobicContact CD2-CE1 3.38Å; F288-F316 AromaticContact CD2-CZ 3.79Å; F288-F316 HydrophobicContact CD2-CZ 3.79Å; F288-F316 HydrophobicContact CE2-CD1 4.28Å; F288-F316 AromaticContact CE2-CE1 3.66Å; F288-F316 HydrophobicContact CE2-CE1 3.66Å; F288-F316 HydrophobicContact CE2-CZ 4.43Å; F288-F316 AromaticContact CG-CE1 3.98Å; F288-F316 HydrophobicContact CG-CE1 3.98Å; F288-F316 AromaticContact CG-CZ 3.94Å; F288-F316 HydrophobicContact CG-CZ 3.94Å; F288-F316 HydrophobicContact CZ-CE1 4.45Å; F288-I336 HydrophobicContact CD1-CD1 3.79Å; F288-I336 HydrophobicContact CE1-CB 4.43Å; F288-I336 HydrophobicContact CE1-CD1 3.51Å; F288-I336 HydrophobicContact CE1-CG2 4.1Å; F288-I336 HydrophobicContact CE2-CD1 4.39Å; F288-I336 HydrophobicContact CG-CD1 4.36Å; F288-I336 HydrophobicContact CZ-CB 4.09Å; F288-I336 HydrophobicContact CZ-CD1 3.85Å; F288-I336 HydrophobicContact CZ-CG2 4.02Å |
| 289 | V | 87.2 | Confident | 83.1 | Confident | 68 Ų | 68 | 52.7 Ų | 52.7 | 41% | 0.412 | 28% | 0.279 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.5 | 137 | 170.8 | 63.5 | 0 | 0 | 0 | 0 | 110 | I296 S297 | V289-I296 WeakPolarHBondContact O-CA 3.44Å; V289-S297 VanDerWaalsContact CG1-OG 3.28Å; V289-S297 WeakPolarHBondContact CG1-OG 3.46Å; V289-S297 PolarHBondContact N-O 3.17Å; V289-S297 PolarHBondContact O-N 2.79Å |
| 290 | I | 89.5 | Confident | 82.9 | Confident | 24 Ų | 24 | 53.6 Ų | 53.6 | 12% | 0.123 | 29% | 0.286 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.8 | 152.7 | 175.2 | -160.7 | 166.5 | 0 | 0 | 0 | 110.4 | V266 L283 V295 I296 V318 | V266-I290 HydrophobicContact CG2-CD1 4Å; L283-I290 HydrophobicContact CB-CG2 4.33Å; L283-I290 HydrophobicContact CD2-CB 3.95Å; L283-I290 HydrophobicContact CD2-CG2 4.35Å; L283-I290 HydrophobicContact CG-CB 4.04Å; L283-I290 HydrophobicContact CG-CG2 3.86Å; I290-V295 VanDerWaalsContact CA-O 3.3Å; I290-V295 WeakPolarHBondContact CA-O 3.48Å; I290-I296 HydrophobicContact CB-CG1 4.21Å; I290-I296 HydrophobicContact CD1-CD1 4.16Å; I290-I296 HydrophobicContact CD1-CG1 3.8Å; I290-I296 HydrophobicContact CG1-CG1 3.83Å; I290-V318 HydrophobicContact CD1-CG1 3.41Å; I290-V318 VanDerWaalsContact CD1-CG1 3.41Å; I290-V318 HydrophobicContact CD1-CG2 4.36Å |
| 291 | N | 81.6 | Confident | 82.4 | Confident | 70 Ų | 70 | 58.9 Ų | 58.9 | 37% | 0.374 | 30% | 0.3 | S | S | . | . | trans | -114.4 | 171.9 | 173.4 | 67.9 | 26.9 | 0 | 0 | 0 | 112.6 | N293 G294 V295 | N291-N293 PolarHBondContact O-N 2.73Å; N291-N293 WeakPolarHBondContact OD1-CA 3.48Å; N291-N293 WeakPolarHBondContact OD1-CB 3.36Å; N291-N293 PolarHBondContact OD1-N 3.3Å; N291-G294 WeakPolarHBondContact O-CA 3.41Å; N291-G294 PolarHBondContact O-N 3.02Å; N291-G294 PolarHBondContact OD1-N 2.84Å; N291-V295 PolarHBondContact N-O 2.53Å; N291-V295 PolarHBondContact OD1-N 2.9Å; N291-V295 VanDerWaalsContact OD1-N 3.1Å | ||
| 292 | D | 74.9 | Confident | 82.1 | Confident | 134 Ų | 134 | 57.3 Ų | 57.3 | 72% | 0.717 | 29% | 0.294 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -54.7 | -16.2 | 179.1 | -53.1 | -3.1 | 0 | 0 | 0 | 114.9 | Y281 | Y281-D292 WeakPolarHBondContact CD2-O 3.1Å; Y281-D292 WeakPolarHBondContact CE2-O 3.27Å |
| 293 | N | 76 | Confident | 81.4 | Confident | 113 Ų | 113 | 57.6 Ų | 57.6 | 60% | 0.604 | 29% | 0.291 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -97.3 | 4 | 176.2 | -56.7 | -79.8 | 0 | 0 | 0 | 112.8 | Q265 N291 | Q265-N293 PolarHBondContact NE2-O 3.28Å; N291-N293 PolarHBondContact O-N 2.73Å; N291-N293 WeakPolarHBondContact OD1-CA 3.48Å; N291-N293 WeakPolarHBondContact OD1-CB 3.36Å; N291-N293 PolarHBondContact OD1-N 3.3Å |
| 294 | G | 82.8 | Confident | 80.4 | Confident | 0 Ų | 0 | 55.8 Ų | 55.8 | 0% | 0 | 28% | 0.282 | C | S | . | . | trans | 81.2 | 11.3 | 180 | 0 | 0 | 0 | 0 | 0 | 115.7 | Q265 V266 N291 | Q265-G294 CarbonylContact C-O 3.52Å; Q265-G294 VanDerWaalsContact CA-O 3.29Å; Q265-G294 WeakPolarHBondContact CA-O 3.34Å; V266-G294 PolarHBondContact N-O 2.87Å; N291-G294 WeakPolarHBondContact O-CA 3.41Å; N291-G294 PolarHBondContact O-N 3.02Å; N291-G294 PolarHBondContact OD1-N 2.84Å | ||
| 295 | V | 83.2 | Confident | 79.5 | Confident | 34 Ų | 34 | 54.4 Ų | 54.4 | 21% | 0.206 | 27% | 0.269 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.5 | 130.3 | -177.4 | -173.7 | 0 | 0 | 0 | 0 | 111.2 | P262 Q265 I290 N291 | P262-V295 HydrophobicContact CB-CG1 3.76Å; Q265-V295 HydrophobicContact CB-CG2 4.13Å; Q265-V295 HydrophobicContact CG-CG2 3.76Å; I290-V295 VanDerWaalsContact CA-O 3.3Å; I290-V295 WeakPolarHBondContact CA-O 3.48Å; N291-V295 PolarHBondContact N-O 2.53Å; N291-V295 PolarHBondContact OD1-N 2.9Å; N291-V295 VanDerWaalsContact OD1-N 3.1Å |
| 296 | I | 87.3 | Confident | 78.3 | Confident | 0 Ų | 0 | 56.4 Ų | 56.4 | 0% | 0 | 28% | 0.277 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.4 | 138.8 | -174.7 | -61.7 | 175.5 | 0 | 0 | 0 | 110.8 | P262 I263 L264 V266 L283 F288 V289 I290 F316 V318 V334 I336 | P262-I296 WeakPolarHBondContact CA-O 3.41Å; I263-I296 PolarHBondContact N-O 3.4Å; L264-I296 HydrophobicContact CD1-CD1 3.83Å; L264-I296 PolarHBondContact O-N 3Å; V266-I296 HydrophobicContact CG1-CD1 4.34Å; L283-I296 HydrophobicContact CD2-CG2 4.42Å; F288-I296 HydrophobicContact CB-CG2 4.05Å; F288-I296 HydrophobicContact CD1-CG2 4.3Å; F288-I296 HydrophobicContact CG-CG2 4.38Å; V289-I296 WeakPolarHBondContact O-CA 3.44Å; I290-I296 HydrophobicContact CB-CG1 4.21Å; I290-I296 HydrophobicContact CD1-CD1 4.16Å; I290-I296 HydrophobicContact CD1-CG1 3.8Å; I290-I296 HydrophobicContact CG1-CG1 3.83Å; I296-F316 HydrophobicContact CD1-CE2 4.11Å; I296-F316 HydrophobicContact CD1-CZ 4.41Å; I296-F316 HydrophobicContact CG2-CZ 4.08Å; I296-V318 HydrophobicContact CD1-CG2 3.94Å; I296-V334 HydrophobicContact CD1-CG1 4.2Å; I296-V334 HydrophobicContact CD1-CG2 3.98Å; I296-I336 HydrophobicContact CG2-CD1 4.3Å |
| 297 | S | 84.4 | Confident | 77 | Confident | 18 Ų | 18 | 54.8 Ų | 54.8 | 13% | 0.126 | 28% | 0.276 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -146.4 | 156.9 | 178.5 | 55.1 | 0 | 0 | 0 | 0 | 111.2 | Q261 F288 V289 | Q261-S297 WeakPolarHBondContact O-CA 3.46Å; Q261-S297 VanDerWaalsContact O-CB 3.22Å; Q261-S297 WeakPolarHBondContact O-CB 3.46Å; F288-S297 CarbonylContact C-O 3.58Å; F288-S297 VanDerWaalsContact CA-O 3.25Å; F288-S297 WeakPolarHBondContact CA-O 3.37Å; F288-S297 WeakPolarHBondContact CB-O 3.29Å; V289-S297 VanDerWaalsContact CG1-OG 3.28Å; V289-S297 WeakPolarHBondContact CG1-OG 3.46Å; V289-S297 PolarHBondContact N-O 3.17Å; V289-S297 PolarHBondContact O-N 2.79Å |
| 298 | P | 81.9 | Confident | 75.6 | Confident | 0 Ų | 0 | 57.5 Ų | 57.5 | 0% | 0 | 29% | 0.29 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -76.9 | 138.9 | 179.6 | 32.9 | -30.3 | 0 | 0 | 0 | 110.1 | G260 Q261 I263 F288 L302 | G260-P298 PolarHBondContact N-O 3.34Å; Q261-P298 WeakPolarHBondContact O-CD 3.33Å; I263-P298 HydrophobicContact CD1-CB 4.35Å; I263-P298 HydrophobicContact CD1-CG 4.15Å; F288-P298 HydrophobicContact CD1-CB 4.24Å; F288-P298 HydrophobicContact CE1-CB 4.16Å; P298-L302 HydrophobicContact CB-CD1 4.25Å; P298-L302 HydrophobicContact CB-CD2 4.07Å; P298-L302 HydrophobicContact CB-CG 4.15Å |
| 299 | R | 76.6 | Confident | 73.6 | Confident | 134 Ų | 134 | 62.8 Ų | 62.8 | 51% | 0.506 | 32% | 0.315 | S | S | . | . | S | Bend | trans | -97.6 | -23.2 | -178.4 | -174.3 | 179.1 | 174.7 | -165.3 | -3.7 | 112.8 | I259 K286 N287 | I259-R299 WeakPolarHBondContact CG2-O 3.48Å; K286-R299 WeakPolarHBondContact O-CD 3.25Å; N287-R299 WeakPolarHBondContact O-CB 3.46Å; N287-R299 PolarHBondContact O-N 2.95Å |
| 300 | V | 79.3 | Confident | 71.9 | Confident | 58 Ų | 58 | 61.7 Ų | 61.7 | 35% | 0.352 | 32% | 0.317 | S | S | . | . | S | Bend | trans | -124.6 | 164.6 | 178.7 | -65.1 | 0 | 0 | 0 | 0 | 109.9 | I259 N287 L302 | I259-V300 VanDerWaalsContact CG1-C 3.47Å; N287-V300 HydrophobicContact CB-CG2 4.12Å; V300-L302 PolarHBondContact O-N 2.85Å |
| 301 | R | 74.8 | Confident | 70.4 | Confident | 145 Ų | 145 | 64 Ų | 64 | 55% | 0.547 | 33% | 0.326 | S | S | . | . | trans | -58.4 | 130.3 | 162.9 | 171.8 | 175.7 | 173.8 | -165.5 | -2.1 | 105.9 | ||||
| 302 | L | 80.5 | Confident | 69.7 | Low | 0 Ų | 0 | 64.1 Ų | 64.1 | 0% | 0 | 32% | 0.322 | C | S | . | . | trans | -80.4 | 161.7 | 174.6 | -56.2 | 179.9 | 0 | 0 | 0 | 108.6 | V253 E255 F288 P298 V300 Y314 T338 | V253-L302 HydrophobicContact CG2-CD1 3.57Å; E255-L302 CarbonylContact C-O 3.58Å; E255-L302 WeakPolarHBondContact CB-O 3.36Å; E255-L302 VanDerWaalsContact O-O 3.05Å; F288-L302 HydrophobicContact CE1-CD1 4.4Å; F288-L302 HydrophobicContact CE1-CD2 4.17Å; F288-L302 HydrophobicContact CZ-CD2 4Å; P298-L302 HydrophobicContact CB-CD1 4.25Å; P298-L302 HydrophobicContact CB-CD2 4.07Å; P298-L302 HydrophobicContact CB-CG 4.15Å; V300-L302 PolarHBondContact O-N 2.85Å; L302-Y314 HydrophobicContact CB-CE2 4.44Å; L302-Y314 HydrophobicContact CD1-CE2 4.47Å; L302-Y314 HydrophobicContact CD2-CE2 3.93Å; L302-T338 HydrophobicContact CB-CG2 3.66Å; L302-T338 HydrophobicContact CD1-CG2 4.04Å; L302-T338 HydrophobicContact CG-CG2 4.47Å | ||
| 303 | D | 72.3 | Confident | 69.5 | Low | 59 Ų | 59 | 61 Ų | 61 | 32% | 0.316 | 31% | 0.305 | S | S | . | . | trans | -139 | 132.5 | -167.3 | 175.5 | -11.1 | 0 | 0 | 0 | 106.5 | D305 Q306 Y314 T338 | D303-D305 PolarHBondContact OD1-N 3.2Å; D303-Q306 HydrophobicContact CB-CG 3.8Å; D303-Q306 PolarHBondContact OD1-N 3.34Å; D303-Q306 WeakPolarHBondContact OD2-CG 3.29Å; D303-Q306 PolarHBondContact OD2-NE2 3.11Å; D303-Y314 PolarHBondContact N-OH 3.41Å; D303-T338 PolarHBondContact O-OG1 3.22Å | ||
| 304 | A | 64.7 | Low | 69.7 | Low | 0 Ų | 0 | 56 Ų | 56 | 0% | 0 | 28% | 0.278 | C | S | . | . | S | Bend | trans | -88.3 | -35.9 | 180 | 0 | 0 | 0 | 0 | 0 | 112.6 | E255 Q306 F311 Y312 N340 | E255-A304 HydrophobicContact CB-CB 4.27Å; E255-A304 VanDerWaalsContact OE2-CB 3.22Å; E255-A304 WeakPolarHBondContact OE2-CB 3.4Å; E255-A304 PolarHBondContact OE2-N 3.27Å; A304-Q306 VanDerWaalsContact C-N 3.35Å; A304-Q306 PolarHBondContact O-N 2.95Å; A304-F311 CarbonylContact O-C 3.54Å; A304-Y312 PolarHBondContact O-N 2.98Å; A304-N340 VanDerWaalsContact CB-CA 3.47Å; A304-N340 HydrophobicContact CB-CB 3.56Å |
| 305 | D | 60.8 | Low | 69.4 | Low | 46 Ų | 46 | 62.8 Ų | 62.8 | 25% | 0.246 | 31% | 0.307 | C | S | . | . | trans | -94.2 | 9.3 | -163.4 | -66.6 | -70.6 | 0 | 0 | 0 | 114.3 | D303 N307 L308 N340 | D303-D305 PolarHBondContact OD1-N 3.2Å; D305-N307 PolarHBondContact O-N 3.48Å; D305-N307 VanDerWaalsContact O-N 3.07Å; D305-L308 PolarHBondContact O-N 2.9Å; D305-N340 VanDerWaalsContact CG-ND2 3.25Å; D305-N340 PolarHBondContact OD1-ND2 3.43Å; D305-N340 WeakPolarHBondContact OD2-CB 3.2Å; D305-N340 PolarHBondContact OD2-ND2 2.87Å | ||
| 306 | Q | 57.7 | Low | 69.4 | Low | 69 Ų | 69 | 61.7 Ų | 61.7 | 32% | 0.322 | 30% | 0.3 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -52.2 | 116 | 164.8 | -52.5 | -160.2 | -26.8 | 0 | 0 | 109.8 | D303 A304 Y312 | D303-Q306 HydrophobicContact CB-CG 3.8Å; D303-Q306 PolarHBondContact OD1-N 3.34Å; D303-Q306 WeakPolarHBondContact OD2-CG 3.29Å; D303-Q306 PolarHBondContact OD2-NE2 3.11Å; A304-Q306 VanDerWaalsContact C-N 3.35Å; A304-Q306 PolarHBondContact O-N 2.95Å; Q306-Y312 HydrophobicContact CB-CD2 3.77Å; Q306-Y312 HydrophobicContact CB-CE2 4.01Å; Q306-Y312 HydrophobicContact CB-CG 4.33Å; Q306-Y312 WeakPolarHBondContact O-CD2 3.49Å |
| 307 | N | 52.1 | Low | 69.1 | Low | 126 Ų | 126 | 64 Ų | 64 | 67% | 0.674 | 31% | 0.314 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 69.5 | 29.2 | -173.8 | -49.6 | -17.1 | 0 | 0 | 0 | 115.4 | D305 Q309 | D305-N307 PolarHBondContact O-N 3.48Å; D305-N307 VanDerWaalsContact O-N 3.07Å; N307-Q309 VanDerWaalsContact C-N 3.34Å; N307-Q309 PolarHBondContact O-N 2.84Å |
| 308 | L | 51 | Low | 69.2 | Low | 107 Ų | 107 | 63.2 Ų | 63.2 | 56% | 0.56 | 31% | 0.308 | S | S | * | . | S | Bend | trans | 59.9 | 35.8 | 167.7 | -57.6 | 167.4 | 0 | 0 | 0 | 114.6 | D305 R378 | D305-L308 PolarHBondContact O-N 2.9Å; L308-R378 PolarHBondContact O-NH2 3.42Å |
| 309 | Q | 46.5 | Very low | 69.4 | Low | 114 Ų | 114 | 64.7 Ų | 64.7 | 53% | 0.533 | 32% | 0.317 | S | S | . | . | S | Bend | trans | -126.4 | 130.8 | 173.8 | -61.6 | 178.2 | 34.1 | 0 | 0 | 107.9 | N307 F311 | N307-Q309 VanDerWaalsContact C-N 3.34Å; N307-Q309 PolarHBondContact O-N 2.84Å; Q309-F311 PolarHBondContact O-N 2.61Å |
| 310 | G | 51.8 | Low | 69.8 | Low | 44 Ų | 44 | 58.3 Ų | 58.3 | 45% | 0.454 | 29% | 0.293 | S | S | . | . | S | Bend | trans | -68.9 | 26 | -175.9 | 0 | 0 | 0 | 0 | 0 | 116.6 | ||
| 311 | F | 58.1 | Low | 70.2 | Confident | 73 Ų | 73 | 57.1 Ų | 57.1 | 32% | 0.32 | 29% | 0.286 | S | S | . | . | trans | -163.1 | 141.3 | 162.9 | 64.8 | -89.8 | 0 | 0 | 0 | 109.6 | A304 Q309 I313 R337 T338 | A304-F311 CarbonylContact O-C 3.54Å; Q309-F311 PolarHBondContact O-N 2.61Å; F311-I313 HydrophobicContact CD2-CD1 4.42Å; F311-I313 HydrophobicContact CD2-CG1 4.17Å; F311-I313 HydrophobicContact CE2-CD1 4.12Å; F311-I313 HydrophobicContact CE2-CG1 4.31Å; F311-R337 HydrophobicContact CD2-CG 4.33Å; F311-R337 VanDerWaalsContact CD2-NH2 3.33Å; F311-T338 VanDerWaalsContact CB-O 3.23Å; F311-T338 WeakPolarHBondContact CB-O 3.48Å | ||
| 312 | Y | 67.2 | Low | 70.6 | Confident | 72 Ų | 72 | 50.2 Ų | 50.2 | 28% | 0.282 | 26% | 0.26 | S | S | . | . | trans | -107 | 159.8 | 171.7 | -164.7 | -102.6 | 0 | 0 | 0 | 111.6 | A304 Q306 Y314 R337 T338 | A304-Y312 PolarHBondContact O-N 2.98Å; Q306-Y312 HydrophobicContact CB-CD2 3.77Å; Q306-Y312 HydrophobicContact CB-CE2 4.01Å; Q306-Y312 HydrophobicContact CB-CG 4.33Å; Q306-Y312 WeakPolarHBondContact O-CD2 3.49Å; Y312-Y314 AromaticContact CD1-CD1 3.82Å; Y312-Y314 HydrophobicContact CD1-CD1 3.82Å; Y312-Y314 HydrophobicContact CD1-CD2 4.01Å; Y312-Y314 AromaticContact CD1-CE1 3.64Å; Y312-Y314 HydrophobicContact CD1-CE1 3.64Å; Y312-Y314 AromaticContact CD1-CE2 3.88Å; Y312-Y314 HydrophobicContact CD1-CE2 3.88Å; Y312-Y314 AromaticContact CD1-CG 3.98Å; Y312-Y314 HydrophobicContact CD1-CG 3.98Å; Y312-Y314 AromaticContact CD1-CZ 3.67Å; Y312-Y314 AromaticContact CE1-CD1 3.59Å; Y312-Y314 HydrophobicContact CE1-CD1 3.59Å; Y312-Y314 AromaticContact CE1-CE1 3.63Å; Y312-Y314 HydrophobicContact CE1-CE1 3.63Å; Y312-Y314 HydrophobicContact CE1-CG 4.06Å; Y312-R337 CarbonylContact O-C 3.51Å; Y312-R337 VanDerWaalsContact O-CA 3.25Å; Y312-R337 WeakPolarHBondContact O-CA 3.41Å; Y312-R337 WeakPolarHBondContact O-CG 2.97Å; Y312-T338 WeakPolarHBondContact CB-OG1 3.06Å; Y312-T338 PolarHBondContact N-OG1 3.03Å; Y312-T338 PolarHBondContact O-N 2.87Å; Y312-T338 PolarHBondContact O-OG1 2.8Å | ||
| 313 | I | 70.6 | Confident | 70.6 | Confident | 70 Ų | 70 | 54 Ų | 54 | 36% | 0.359 | 28% | 0.278 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.7 | 101.6 | 173.1 | -54 | -179.5 | 0 | 0 | 0 | 110.3 | F311 K315 I336 R337 | F311-I313 HydrophobicContact CD2-CD1 4.42Å; F311-I313 HydrophobicContact CD2-CG1 4.17Å; F311-I313 HydrophobicContact CE2-CD1 4.12Å; F311-I313 HydrophobicContact CE2-CG1 4.31Å; I313-K315 HydrophobicContact CG2-CG 4.27Å; I313-K315 PolarHBondContact O-N 2.9Å; I313-I336 CarbonylContact C-O 3.39Å; I313-I336 WeakPolarHBondContact CA-O 3.05Å; I313-R337 HydrophobicContact CD1-CG 4.48Å; I313-R337 HydrophobicContact CG1-CB 4.07Å; I313-R337 HydrophobicContact CG1-CG 3.88Å |
| 314 | Y | 79.7 | Confident | 70.7 | Confident | 8 Ų | 8 | 51.5 Ų | 51.5 | 3% | 0.031 | 27% | 0.265 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -66.7 | 128.4 | 169.7 | -54.8 | -83.6 | 0 | 0 | 0 | 110 | N287 F288 L302 D303 Y312 H335 I336 T338 | N287-Y314 HydrophobicContact CB-CD1 4.45Å; N287-Y314 HydrophobicContact CB-CE1 4.33Å; F288-Y314 AromaticContact CE2-CD1 3.95Å; F288-Y314 HydrophobicContact CE2-CD1 3.95Å; F288-Y314 HydrophobicContact CE2-CD2 4Å; F288-Y314 AromaticContact CE2-CG 3.58Å; F288-Y314 HydrophobicContact CE2-CG 3.58Å; F288-Y314 HydrophobicContact CZ-CD1 4.41Å; F288-Y314 AromaticContact CZ-CD2 3.69Å; F288-Y314 HydrophobicContact CZ-CD2 3.69Å; F288-Y314 HydrophobicContact CZ-CE2 4.26Å; F288-Y314 AromaticContact CZ-CG 3.78Å; F288-Y314 HydrophobicContact CZ-CG 3.78Å; L302-Y314 HydrophobicContact CB-CE2 4.44Å; L302-Y314 HydrophobicContact CD1-CE2 4.47Å; L302-Y314 HydrophobicContact CD2-CE2 3.93Å; D303-Y314 PolarHBondContact N-OH 3.41Å; Y312-Y314 AromaticContact CD1-CD1 3.82Å; Y312-Y314 HydrophobicContact CD1-CD1 3.82Å; Y312-Y314 HydrophobicContact CD1-CD2 4.01Å; Y312-Y314 AromaticContact CD1-CE1 3.64Å; Y312-Y314 HydrophobicContact CD1-CE1 3.64Å; Y312-Y314 AromaticContact CD1-CE2 3.88Å; Y312-Y314 HydrophobicContact CD1-CE2 3.88Å; Y312-Y314 AromaticContact CD1-CG 3.98Å; Y312-Y314 HydrophobicContact CD1-CG 3.98Å; Y312-Y314 AromaticContact CD1-CZ 3.67Å; Y312-Y314 AromaticContact CE1-CD1 3.59Å; Y312-Y314 HydrophobicContact CE1-CD1 3.59Å; Y312-Y314 AromaticContact CE1-CE1 3.63Å; Y312-Y314 HydrophobicContact CE1-CE1 3.63Å; Y312-Y314 HydrophobicContact CE1-CG 4.06Å; Y314-H335 CarbonylContact O-C 3.5Å; Y314-H335 WeakPolarHBondContact O-CA 3.46Å; Y314-I336 PolarHBondContact N-O 2.84Å; Y314-I336 PolarHBondContact O-N 2.89Å; Y314-T338 HydrophobicContact CE2-CG2 3.84Å |
| 315 | K | 77.1 | Confident | 70.7 | Confident | 142 Ų | 142 | 56.7 Ų | 56.7 | 62% | 0.617 | 30% | 0.302 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -126.7 | 123.7 | 175.5 | -55.1 | -177.6 | -176.3 | 170.7 | 0 | 109.2 | I313 V334 | I313-K315 HydrophobicContact CG2-CG 4.27Å; I313-K315 PolarHBondContact O-N 2.9Å; K315-V334 WeakPolarHBondContact CA-O 3.47Å |
| 316 | F | 83.2 | Confident | 71.1 | Confident | 11 Ų | 11 | 59.5 Ų | 59.5 | 5% | 0.048 | 32% | 0.322 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -152.1 | 157.5 | -175.5 | 59.9 | -92.6 | 0 | 0 | 0 | 114.3 | L283 D285 F288 I296 V318 Q333 V334 I336 | L283-F316 HydrophobicContact CB-CD2 4.24Å; L283-F316 HydrophobicContact CB-CE2 4.3Å; L283-F316 HydrophobicContact CD2-CD2 4.4Å; L283-F316 HydrophobicContact CD2-CE2 3.77Å; L283-F316 HydrophobicContact CD2-CZ 4.44Å; D285-F316 HydrophobicContact CB-CB 3.44Å; D285-F316 VanDerWaalsContact CB-CB 3.44Å; D285-F316 HydrophobicContact CB-CD1 3.73Å; D285-F316 HydrophobicContact CB-CD2 4.33Å; D285-F316 HydrophobicContact CB-CG 3.61Å; F288-F316 HydrophobicContact CB-CZ 4.2Å; F288-F316 HydrophobicContact CD2-CD1 4.04Å; F288-F316 AromaticContact CD2-CE1 3.38Å; F288-F316 HydrophobicContact CD2-CE1 3.38Å; F288-F316 AromaticContact CD2-CZ 3.79Å; F288-F316 HydrophobicContact CD2-CZ 3.79Å; F288-F316 HydrophobicContact CE2-CD1 4.28Å; F288-F316 AromaticContact CE2-CE1 3.66Å; F288-F316 HydrophobicContact CE2-CE1 3.66Å; F288-F316 HydrophobicContact CE2-CZ 4.43Å; F288-F316 AromaticContact CG-CE1 3.98Å; F288-F316 HydrophobicContact CG-CE1 3.98Å; F288-F316 AromaticContact CG-CZ 3.94Å; F288-F316 HydrophobicContact CG-CZ 3.94Å; F288-F316 HydrophobicContact CZ-CE1 4.45Å; I296-F316 HydrophobicContact CD1-CE2 4.11Å; I296-F316 HydrophobicContact CD1-CZ 4.41Å; I296-F316 HydrophobicContact CG2-CZ 4.08Å; F316-V318 HydrophobicContact CD2-CG2 4.26Å; F316-V318 HydrophobicContact CE2-CG2 4.11Å; F316-Q333 CarbonylContact O-C 3.58Å; F316-V334 HydrophobicContact CD2-CB 3.98Å; F316-V334 HydrophobicContact CE1-CB 4.3Å; F316-V334 HydrophobicContact CE1-CG1 4.03Å; F316-V334 HydrophobicContact CE2-CB 3.68Å; F316-V334 HydrophobicContact CE2-CG1 3.85Å; F316-V334 HydrophobicContact CE2-CG2 4.12Å; F316-V334 HydrophobicContact CG-CB 4.43Å; F316-V334 HydrophobicContact CZ-CB 3.85Å; F316-V334 HydrophobicContact CZ-CG1 3.54Å; F316-V334 PolarHBondContact N-O 2.86Å; F316-V334 PolarHBondContact O-N 3.31Å; F316-I336 HydrophobicContact CE1-CD1 3.9Å; F316-I336 HydrophobicContact CE1-CG1 4.31Å; F316-I336 HydrophobicContact CZ-CD1 3.91Å |
| 317 | V | 80.5 | Confident | 72.1 | Confident | 49 Ų | 49 | 59.7 Ų | 59.7 | 30% | 0.297 | 33% | 0.33 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.8 | 139.8 | 176.9 | -178.2 | 0 | 0 | 0 | 0 | 110.3 | L283 S284 T331 S332 Q333 | L283-V317 WeakPolarHBondContact CA-O 3.42Å; S284-V317 PolarHBondContact N-O 3.28Å; S284-V317 WeakPolarHBondContact OG-CA 3.32Å; S284-V317 PolarHBondContact OG-N 2.99Å; S284-V317 PolarHBondContact OG-O 2.93Å; V317-T331 HydrophobicContact CG1-CG2 3.79Å; V317-S332 CarbonylContact C-O 3.2Å; V317-S332 WeakPolarHBondContact CA-O 3.43Å; V317-Q333 HydrophobicContact CG2-CG 4.37Å |
| 318 | V | 85.8 | Confident | 73.6 | Confident | 0 Ų | 0 | 57.1 Ų | 57.1 | 0% | 0 | 31% | 0.31 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.8 | 131.8 | 168.8 | -176.8 | 0 | 0 | 0 | 0 | 108.2 | F244 V266 S282 L283 I290 I296 F316 T331 S332 V334 | F244-V318 HydrophobicContact CE1-CG1 4.44Å; F244-V318 WeakPolarHBondContact CE2-O 3.5Å; F244-V318 HydrophobicContact CZ-CB 4.45Å; F244-V318 HydrophobicContact CZ-CG1 4.03Å; V266-V318 HydrophobicContact CG2-CG1 4.02Å; S282-V318 CarbonylContact O-C 3.48Å; S282-V318 WeakPolarHBondContact O-CA 3.44Å; S282-V318 VanDerWaalsContact O-CG1 3.27Å; S282-V318 WeakPolarHBondContact O-CG1 3.45Å; L283-V318 HydrophobicContact CB-CG2 4.08Å; I290-V318 HydrophobicContact CD1-CG1 3.41Å; I290-V318 VanDerWaalsContact CD1-CG1 3.41Å; I290-V318 HydrophobicContact CD1-CG2 4.36Å; I296-V318 HydrophobicContact CD1-CG2 3.94Å; F316-V318 HydrophobicContact CD2-CG2 4.26Å; F316-V318 HydrophobicContact CE2-CG2 4.11Å; V318-T331 CarbonylContact O-C 3.56Å; V318-T331 WeakPolarHBondContact O-CA 3.29Å; V318-S332 PolarHBondContact N-O 3.47Å; V318-S332 PolarHBondContact O-N 2.85Å; V318-V334 HydrophobicContact CG2-CB 4.49Å; V318-V334 HydrophobicContact CG2-CG2 3.46Å; V318-V334 VanDerWaalsContact CG2-CG2 3.46Å |
| 319 | T | 86.2 | Confident | 75.1 | Confident | 32 Ų | 32 | 55.7 Ų | 55.7 | 20% | 0.196 | 31% | 0.306 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.5 | 133.9 | -178.3 | -51.4 | 0 | 0 | 0 | 0 | 109.4 | Y281 S282 T329 A330 T331 | Y281-T319 WeakPolarHBondContact CA-O 3.49Å; S282-T319 PolarHBondContact N-O 3.43Å; S282-T319 PolarHBondContact O-N 2.78Å; T319-T329 HydrophobicContact CG2-CG2 4.34Å; T319-A330 CarbonylContact C-O 3.54Å; T319-A330 VanDerWaalsContact CA-O 3.3Å; T319-A330 WeakPolarHBondContact CA-O 3.19Å; T319-A330 WeakPolarHBondContact CG2-O 3.35Å; T319-T331 HydrophobicContact CG2-CG2 4.15Å |
| 320 | A | 85.7 | Confident | 76.7 | Confident | 0 Ų | 0 | 51.3 Ų | 51.3 | 0% | 0 | 29% | 0.29 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.4 | 122.1 | 167.4 | 0 | 0 | 0 | 0 | 0 | 108.1 | P242 F244 A268 S280 Y281 T329 A330 | P242-A320 HydrophobicContact CB-CB 4.36Å; F244-A320 HydrophobicContact CD2-CB 4.33Å; F244-A320 HydrophobicContact CE1-CB 4.26Å; F244-A320 HydrophobicContact CE2-CB 3.61Å; F244-A320 HydrophobicContact CZ-CB 3.56Å; A268-A320 HydrophobicContact CB-CB 3.63Å; S280-A320 WeakPolarHBondContact O-CA 3.47Å; Y281-A320 HydrophobicContact CD1-CB 4.03Å; Y281-A320 HydrophobicContact CE1-CB 4Å; A320-T329 CarbonylContact O-C 3.58Å; A320-T329 VanDerWaalsContact O-CA 3.27Å; A320-T329 WeakPolarHBondContact O-CA 3.37Å; A320-A330 PolarHBondContact N-O 2.84Å; A320-A330 PolarHBondContact O-N 2.94Å |
| 321 | T | 87.5 | Confident | 78.1 | Confident | 32 Ų | 32 | 53.4 Ų | 53.4 | 20% | 0.196 | 29% | 0.293 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.9 | 133.4 | -175.8 | -59 | 0 | 0 | 0 | 0 | 108.9 | L279 S280 P327 R328 T329 | L279-T321 CarbonylContact C-O 3.52Å; L279-T321 WeakPolarHBondContact CA-O 3.44Å; S280-T321 PolarHBondContact N-O 3.3Å; S280-T321 PolarHBondContact O-N 3.5Å; S280-T321 PolarHBondContact OG-O 3.13Å; T321-P327 HydrophobicContact CG2-CB 4.34Å; T321-R328 WeakPolarHBondContact CA-O 3.24Å; T321-T329 HydrophobicContact CG2-CG2 3.8Å; T321-T329 WeakPolarHBondContact OG1-CG2 3.31Å |
| 322 | D | 84.5 | Confident | 78.9 | Confident | 1 Ų | 1 | 50.1 Ų | 50.1 | 1% | 0.005 | 28% | 0.28 | C | S | . | . | trans | -73.4 | -168.7 | 174.7 | 72.2 | 35.6 | 0 | 0 | 0 | 113.3 | N238 P242 N276 R278 L279 G324 P327 R328 | N238-D322 PolarHBondContact ND2-OD2 3.39Å; P242-D322 HydrophobicContact CG-CB 4.2Å; N276-D322 WeakPolarHBondContact O-CB 3.11Å; R278-D322 CarbonylContact O-C 3.51Å; R278-D322 VanDerWaalsContact O-C 3.25Å; R278-D322 WeakPolarHBondContact O-CA 3.46Å; L279-D322 HydrophobicContact CD2-CB 4.2Å; D322-G324 PolarHBondContact OD1-N 3.24Å; D322-P327 WeakPolarHBondContact OD1-CA 3.29Å; D322-P327 WeakPolarHBondContact OD1-CB 3.17Å; D322-R328 VanDerWaalsContact CG-N 3.25Å; D322-R328 PolarHBondContact N-O 2.83Å; D322-R328 PolarHBondContact OD1-N 2.78Å; D322-R328 VanDerWaalsContact OD1-N 3.17Å; D322-R328 WeakPolarHBondContact OD2-CA 3.29Å; D322-R328 VanDerWaalsContact OD2-CB 3.24Å; D322-R328 WeakPolarHBondContact OD2-CB 2.98Å; D322-R328 PolarHBondContact OD2-N 3.4Å | ||
| 323 | H | 79.5 | Confident | 79.5 | Confident | 80 Ų | 80 | 51.5 Ų | 51.5 | 37% | 0.37 | 29% | 0.289 | S | S | . | . | S | Bend | trans | -124.6 | 27.9 | 170.5 | -66.3 | -28.4 | 0 | 0 | 0 | 112.8 | L275 R278 S280 | L275-H323 HydrophobicContact CB-CB 4.47Å; L275-H323 HydrophobicContact CD2-CB 4.35Å; L275-H323 CarbonylContact O-C 3.57Å; L275-H323 VanDerWaalsContact O-C 3.28Å; L275-H323 WeakPolarHBondContact O-CA 3.04Å; L275-H323 WeakPolarHBondContact O-CB 3.24Å; L275-H323 PolarHBondContact O-N 3.03Å; R278-H323 HydrophobicContact CB-CB 4.47Å; R278-H323 PolarHBondContact O-CD2 3.06Å; R278-H323 PolarHBondContact O-N 3.36Å; R278-H323 VanDerWaalsContact O-N 3.12Å; S280-H323 PolarHBondContact OG-CE1 2.83Å |
| 324 | G | 74.2 | Confident | 79.9 | Confident | 5 Ų | 5 | 48.2 Ų | 48.2 | 5% | 0.052 | 27% | 0.272 | C | S | . | . | S | Bend | trans | -75.3 | -169.9 | 172.6 | 0 | 0 | 0 | 0 | 0 | 113.3 | N276 D322 | N276-G324 WeakPolarHBondContact OD1-CA 3.42Å; D322-G324 PolarHBondContact OD1-N 3.24Å |
| 325 | S | 64.9 | Low | 79.9 | Confident | 110 Ų | 110 | 50.3 Ų | 50.3 | 77% | 0.769 | 28% | 0.282 | S | S | * | . | S | Bend | trans | -153.4 | 103 | -177.9 | -71.3 | 0 | 0 | 0 | 0 | 111 | ||
| 326 | P | 69.2 | Low | 80 | Confident | 104 Ų | 104 | 43.6 Ų | 43.6 | 68% | 0.675 | 25% | 0.253 | S | S | * | . | S | Bend | cis | -65.8 | 143.2 | -1.4 | 29.2 | -35.4 | 0 | 0 | 0 | 112 | N238 | N238-P326 PolarHBondContact ND2-O 2.03Š|
| 327 | P | 79.3 | Confident | 79.2 | Confident | 74 Ų | 74 | 46.6 Ų | 46.6 | 48% | 0.481 | 26% | 0.264 | S | S | . | . | trans | -75.4 | 140.8 | 178.3 | 31.3 | -34.8 | 0 | 0 | 0 | 111.5 | T321 D322 | T321-P327 HydrophobicContact CG2-CB 4.34Å; D322-P327 WeakPolarHBondContact OD1-CA 3.29Å; D322-P327 WeakPolarHBondContact OD1-CB 3.17Å | ||
| 328 | R | 82.6 | Confident | 78.7 | Confident | 71 Ų | 71 | 44.3 Ų | 44.3 | 27% | 0.268 | 25% | 0.25 | S | C | . | . | trans | -104.7 | 161 | 180 | -63.7 | 159.2 | 169.2 | -112.3 | 16.3 | 111.3 | N238 D239 N240 D241 T321 D322 | N238-R328 WeakPolarHBondContact ND2-CD 3.34Å; N238-R328 VanDerWaalsContact O-CZ 3.26Å; N238-R328 PolarHBondContact O-NE 2.86Å; N238-R328 PolarHBondContact O-NH2 2.87Å; D239-R328 VanDerWaalsContact C-CZ 3.41Å; D239-R328 PolarHBondContact O-NH1 2.77Å; D239-R328 PolarHBondContact O-NH2 2.98Å; N240-R328 WeakPolarHBondContact O-CD 3.42Å; D241-R328 WeakPolarHBondContact OD1-CB 3.24Å; D241-R328 VanDerWaalsContact OD1-CD 3.23Å; D241-R328 WeakPolarHBondContact OD1-CD 3.19Å; D241-R328 WeakPolarHBondContact OD1-CG 3.4Å; D241-R328 IonicContact OD1-CZ 2.64Å; D241-R328 IonicContact OD1-NE 3.06Å; D241-R328 IonicContact OD1-NH1 2.73Å; D241-R328 PolarHBondContact OD1-NH1 2.86Å; D241-R328 IonicContact OD2-NH1 3.91Å; T321-R328 WeakPolarHBondContact CA-O 3.24Å; D322-R328 VanDerWaalsContact CG-N 3.25Å; D322-R328 PolarHBondContact N-O 2.83Å; D322-R328 PolarHBondContact OD1-N 2.78Å; D322-R328 VanDerWaalsContact OD1-N 3.17Å; D322-R328 WeakPolarHBondContact OD2-CA 3.29Å; D322-R328 VanDerWaalsContact OD2-CB 3.24Å; D322-R328 WeakPolarHBondContact OD2-CB 2.98Å; D322-R328 PolarHBondContact OD2-N 3.4Å | ||
| 329 | T | 82.6 | Confident | 77.5 | Confident | 78 Ų | 78 | 48.6 Ų | 48.6 | 48% | 0.479 | 27% | 0.27 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -145.8 | 143.4 | -170 | 68.5 | 0 | 0 | 0 | 0 | 113 | T319 A320 T321 | T319-T329 HydrophobicContact CG2-CG2 4.34Å; A320-T329 CarbonylContact O-C 3.58Å; A320-T329 VanDerWaalsContact O-CA 3.27Å; A320-T329 WeakPolarHBondContact O-CA 3.37Å; T321-T329 HydrophobicContact CG2-CG2 3.8Å; T321-T329 WeakPolarHBondContact OG1-CG2 3.31Å |
| 330 | A | 81.5 | Confident | 76.3 | Confident | 22 Ų | 22 | 50.2 Ų | 50.2 | 18% | 0.182 | 28% | 0.277 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.7 | 167.7 | 162.8 | 0 | 0 | 0 | 0 | 0 | 111.7 | P242 F244 T319 A320 | P242-A330 HydrophobicContact CB-CB 4.27Å; P242-A330 WeakPolarHBondContact O-CB 3.36Å; F244-A330 HydrophobicContact CD2-CB 4.41Å; F244-A330 WeakPolarHBondContact CE2-O 3.35Å; T319-A330 CarbonylContact C-O 3.54Å; T319-A330 VanDerWaalsContact CA-O 3.3Å; T319-A330 WeakPolarHBondContact CA-O 3.19Å; T319-A330 WeakPolarHBondContact CG2-O 3.35Å; A320-A330 PolarHBondContact N-O 2.84Å; A320-A330 PolarHBondContact O-N 2.94Å |
| 331 | T | 81 | Confident | 75.3 | Confident | 87 Ų | 87 | 53.7 Ų | 53.7 | 53% | 0.534 | 30% | 0.298 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -133 | 158.5 | -171 | 50.7 | 0 | 0 | 0 | 0 | 113 | F244 V317 V318 T319 | F244-T331 VanDerWaalsContact CD2-C 3.47Å; F244-T331 WeakPolarHBondContact CD2-O 3.42Å; V317-T331 HydrophobicContact CG1-CG2 3.79Å; V318-T331 CarbonylContact O-C 3.56Å; V318-T331 WeakPolarHBondContact O-CA 3.29Å; T319-T331 HydrophobicContact CG2-CG2 4.15Å |
| 332 | S | 75 | Confident | 74.2 | Confident | 5 Ų | 5 | 55 Ų | 55 | 4% | 0.035 | 30% | 0.304 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -155.4 | 148.1 | 175.9 | -176.9 | 0 | 0 | 0 | 0 | 110.4 | Q246 P247 Y249 V317 V318 | Q246-S332 PolarHBondContact O-OG 3.43Å; P247-S332 VanDerWaalsContact C-OG 3.28Å; P247-S332 PolarHBondContact O-OG 3.15Å; Y249-S332 WeakPolarHBondContact CE2-OG 3.37Å; V317-S332 CarbonylContact C-O 3.2Å; V317-S332 WeakPolarHBondContact CA-O 3.43Å; V318-S332 PolarHBondContact N-O 3.47Å; V318-S332 PolarHBondContact O-N 2.85Å |
| 333 | Q | 78.6 | Confident | 73.4 | Confident | 101 Ų | 101 | 60.2 Ų | 60.2 | 47% | 0.472 | 33% | 0.332 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.1 | 155.9 | -176.2 | -68.2 | -177.5 | -7.2 | 0 | 0 | 113.4 | P247 L248 Y249 F316 V317 | P247-Q333 PolarHBondContact O-N 3.32Å; L248-Q333 CarbonylContact C-O 3.53Å; L248-Q333 VanDerWaalsContact CA-O 3.31Å; L248-Q333 WeakPolarHBondContact CA-O 3.27Å; L248-Q333 HydrophobicContact CB-CB 4.48Å; L248-Q333 HydrophobicContact CD1-CB 3.6Å; Y249-Q333 PolarHBondContact N-O 3.4Å; F316-Q333 CarbonylContact O-C 3.58Å; V317-Q333 HydrophobicContact CG2-CG 4.37Å |
| 334 | V | 80 | Confident | 72.7 | Confident | 0 Ų | 0 | 61.6 Ų | 61.6 | 0% | 0 | 34% | 0.339 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -142.4 | 132.1 | 179.1 | -177 | 0 | 0 | 0 | 0 | 110.9 | Y249 L264 V266 I296 K315 F316 V318 I336 | Y249-V334 CarbonylContact O-C 3.53Å; Y249-V334 VanDerWaalsContact O-CA 3.29Å; Y249-V334 WeakPolarHBondContact O-CA 3.26Å; L264-V334 HydrophobicContact CD1-CG1 4.24Å; L264-V334 HydrophobicContact CD2-CG1 3.9Å; V266-V334 HydrophobicContact CG1-CG2 4.48Å; I296-V334 HydrophobicContact CD1-CG1 4.2Å; I296-V334 HydrophobicContact CD1-CG2 3.98Å; K315-V334 WeakPolarHBondContact CA-O 3.47Å; F316-V334 HydrophobicContact CD2-CB 3.98Å; F316-V334 HydrophobicContact CE1-CB 4.3Å; F316-V334 HydrophobicContact CE1-CG1 4.03Å; F316-V334 HydrophobicContact CE2-CB 3.68Å; F316-V334 HydrophobicContact CE2-CG1 3.85Å; F316-V334 HydrophobicContact CE2-CG2 4.12Å; F316-V334 HydrophobicContact CG-CB 4.43Å; F316-V334 HydrophobicContact CZ-CB 3.85Å; F316-V334 HydrophobicContact CZ-CG1 3.54Å; F316-V334 PolarHBondContact N-O 2.86Å; F316-V334 PolarHBondContact O-N 3.31Å; V318-V334 HydrophobicContact CG2-CB 4.49Å; V318-V334 HydrophobicContact CG2-CG2 3.46Å; V318-V334 VanDerWaalsContact CG2-CG2 3.46Å; V334-I336 HydrophobicContact CG1-CD1 4.37Å; V334-I336 HydrophobicContact CG1-CG1 4.27Å |
| 335 | H | 78.3 | Confident | 72.3 | Confident | 53 Ų | 53 | 62.9 Ų | 62.9 | 25% | 0.245 | 35% | 0.349 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120 | 132.2 | 176 | -62.7 | 166.6 | 0 | 0 | 0 | 112.7 | Y249 S250 A251 Y314 | Y249-H335 PolarHBondContact O-N 3Å; S250-H335 CarbonylContact C-O 3.59Å; S250-H335 VanDerWaalsContact CA-O 3.22Å; S250-H335 WeakPolarHBondContact CA-O 3.05Å; A251-H335 PolarHBondContact N-O 2.92Å; Y314-H335 CarbonylContact O-C 3.5Å; Y314-H335 WeakPolarHBondContact O-CA 3.46Å |
| 336 | I | 80.7 | Confident | 72.9 | Confident | 0 Ų | 0 | 58 Ų | 58 | 0% | 0 | 32% | 0.315 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.7 | 135.1 | 179.5 | -59.1 | 177.1 | 0 | 0 | 0 | 110.2 | V253 I263 F288 I296 I313 Y314 F316 V334 | V253-I336 HydrophobicContact CG2-CG2 4.06Å; I263-I336 HydrophobicContact CD1-CD1 4.12Å; I263-I336 HydrophobicContact CD1-CG2 4.23Å; I263-I336 HydrophobicContact CG2-CD1 4.03Å; I263-I336 HydrophobicContact CG2-CG1 4.36Å; F288-I336 HydrophobicContact CD1-CD1 3.79Å; F288-I336 HydrophobicContact CE1-CB 4.43Å; F288-I336 HydrophobicContact CE1-CD1 3.51Å; F288-I336 HydrophobicContact CE1-CG2 4.1Å; F288-I336 HydrophobicContact CE2-CD1 4.39Å; F288-I336 HydrophobicContact CG-CD1 4.36Å; F288-I336 HydrophobicContact CZ-CB 4.09Å; F288-I336 HydrophobicContact CZ-CD1 3.85Å; F288-I336 HydrophobicContact CZ-CG2 4.02Å; I296-I336 HydrophobicContact CG2-CD1 4.3Å; I313-I336 CarbonylContact C-O 3.39Å; I313-I336 WeakPolarHBondContact CA-O 3.05Å; Y314-I336 PolarHBondContact N-O 2.84Å; Y314-I336 PolarHBondContact O-N 2.89Å; F316-I336 HydrophobicContact CE1-CD1 3.9Å; F316-I336 HydrophobicContact CE1-CG1 4.31Å; F316-I336 HydrophobicContact CZ-CD1 3.91Å; V334-I336 HydrophobicContact CG1-CD1 4.37Å; V334-I336 HydrophobicContact CG1-CG1 4.27Å |
| 337 | R | 66 | Low | 73.1 | Confident | 75 Ų | 75 | 56.9 Ų | 56.9 | 28% | 0.283 | 31% | 0.305 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.5 | 149.6 | -173.6 | 179.9 | 170.6 | -171.2 | -118.5 | -3 | 114.3 | A251 V253 F311 Y312 I313 | A251-R337 PolarHBondContact O-N 2.94Å; V253-R337 CarbonylContact C-O 3.56Å; V253-R337 WeakPolarHBondContact CG2-O 3.28Å; V253-R337 PolarHBondContact N-O 2.9Å; F311-R337 HydrophobicContact CD2-CG 4.33Å; F311-R337 VanDerWaalsContact CD2-NH2 3.33Å; Y312-R337 CarbonylContact O-C 3.51Å; Y312-R337 VanDerWaalsContact O-CA 3.25Å; Y312-R337 WeakPolarHBondContact O-CA 3.41Å; Y312-R337 WeakPolarHBondContact O-CG 2.97Å; I313-R337 HydrophobicContact CD1-CG 4.48Å; I313-R337 HydrophobicContact CG1-CB 4.07Å; I313-R337 HydrophobicContact CG1-CG 3.88Å |
| 338 | T | 69.3 | Low | 72.9 | Confident | 0 Ų | 0 | 53.9 Ų | 53.9 | 0% | 0 | 29% | 0.285 | C | S | . | . | trans | -114.2 | 179.6 | -179.8 | 49.3 | 0 | 0 | 0 | 0 | 115 | V253 L302 D303 F311 Y312 Y314 | V253-T338 CarbonylContact O-C 3.56Å; V253-T338 WeakPolarHBondContact O-CA 3.19Å; L302-T338 HydrophobicContact CB-CG2 3.66Å; L302-T338 HydrophobicContact CD1-CG2 4.04Å; L302-T338 HydrophobicContact CG-CG2 4.47Å; D303-T338 PolarHBondContact O-OG1 3.22Å; F311-T338 VanDerWaalsContact CB-O 3.23Å; F311-T338 WeakPolarHBondContact CB-O 3.48Å; Y312-T338 WeakPolarHBondContact CB-OG1 3.06Å; Y312-T338 PolarHBondContact N-OG1 3.03Å; Y312-T338 PolarHBondContact O-N 2.87Å; Y312-T338 PolarHBondContact O-OG1 2.8Å; Y314-T338 HydrophobicContact CE2-CG2 3.84Å | ||
| 339 | E | 60.4 | Low | 71.9 | Confident | 90 Ų | 90 | 54 Ų | 54 | 42% | 0.421 | 29% | 0.29 | S | S | . | . | trans | -152.1 | 140.7 | 178.1 | -56.4 | -179.7 | 162 | 0 | 0 | 110.6 | K254 E255 | K254-E339 VanDerWaalsContact CE-OE2 3.32Å; K254-E339 WeakPolarHBondContact CE-OE2 3.12Å; K254-E339 HydrophobicContact CG-CB 4.24Å; K254-E339 WeakPolarHBondContact CG-OE2 3.33Å; K254-E339 IonicContact NZ-OE2 3.09Å; K254-E339 PolarHBondContact NZ-OE2 2.88Å; E255-E339 WeakPolarHBondContact CB-O 3.44Å; E255-E339 WeakPolarHBondContact CG-O 3Å; E255-E339 PolarHBondContact N-O 3.43Å | ||
| 340 | N | 62.4 | Low | 70.5 | Confident | 67 Ų | 67 | 55.7 Ų | 55.7 | 36% | 0.358 | 30% | 0.303 | S | S | . | . | trans | -87.9 | 163.8 | -165 | 142.8 | -58.7 | 0 | 0 | 0 | 118.1 | A304 D305 | A304-N340 VanDerWaalsContact CB-CA 3.47Å; A304-N340 HydrophobicContact CB-CB 3.56Å; D305-N340 VanDerWaalsContact CG-ND2 3.25Å; D305-N340 PolarHBondContact OD1-ND2 3.43Å; D305-N340 WeakPolarHBondContact OD2-CB 3.2Å; D305-N340 PolarHBondContact OD2-ND2 2.87Å | ||
| 341 | V | 64.6 | Low | 69.7 | Low | 73 Ų | 73 | 58.2 Ų | 58.2 | 44% | 0.442 | 32% | 0.316 | S | S | . | . | trans | -144.3 | 165.1 | 173.1 | -175.5 | 0 | 0 | 0 | 0 | 110 | E255 | E255-V341 VanDerWaalsContact OE1-CB 3.32Å; E255-V341 WeakPolarHBondContact OE1-CB 3.48Å; E255-V341 WeakPolarHBondContact OE1-CG2 3.45Å; E255-V341 PolarHBondContact OE1-N 3.26Å | ||
| 342 | N | 63.9 | Low | 69 | Low | 58 Ų | 58 | 57.5 Ų | 57.5 | 31% | 0.31 | 32% | 0.315 | S | S | . | . | trans | -103.6 | 121.8 | -177.3 | 166.3 | -97.2 | 0 | 0 | 0 | 111.6 | D377 D379 | N342-D377 WeakPolarHBondContact CA-OD1 3.39Å; N342-D377 HydrophobicContact CB-CB 4.5Å; N342-D377 WeakPolarHBondContact ND2-CB 3.48Å; N342-D377 PolarHBondContact ND2-OD2 3.01Å; N342-D379 PolarHBondContact ND2-OD2 3.14Å | ||
| 343 | D | 66.6 | Low | 68.4 | Low | 111 Ų | 111 | 62.4 Ų | 62.4 | 59% | 0.594 | 34% | 0.338 | S | S | * | . | trans | -152.6 | 21 | 175.8 | 61.9 | 8.3 | 0 | 0 | 0 | 119.2 | D377 | D343-D377 PolarHBondContact N-OD1 3.37Å; D343-D377 PolarHBondContact N-OD2 2.96Å; D343-D377 VanDerWaalsContact N-OD2 3.07Å | ||
| 344 | E | 66.4 | Low | 67.8 | Low | 110 Ų | 110 | 58.8 Ų | 58.8 | 51% | 0.514 | 32% | 0.321 | S | S | . | . | trans | -124.2 | -166.1 | -175.7 | -82.3 | -70 | 172.6 | 0 | 0 | 116.1 | P376 D377 H441 | E344-P376 HydrophobicContact CB-CB 3.79Å; E344-P376 HydrophobicContact CB-CG 3.89Å; E344-P376 HydrophobicContact CG-CB 4.23Å; E344-P376 HydrophobicContact CG-CG 4.45Å; E344-D377 PolarHBondContact N-OD2 3.18Å; E344-H441 PolarHBondContact O-CE1 3.18Å; E344-H441 PolarHBondContact O-ND1 3.43Å | ||
| 345 | A | 64.5 | Low | 66.9 | Low | 32 Ų | 32 | 61.4 Ų | 61.4 | 26% | 0.264 | 34% | 0.336 | S | S | . | . | trans | -150.9 | 157.1 | -170.6 | 0 | 0 | 0 | 0 | 0 | 115.9 | P376 H441 | A345-P376 WeakPolarHBondContact O-CD 3.38Å; A345-H441 HydrophobicContact CB-CB 3.63Å | ||
| 346 | P | 77.8 | Confident | 66.1 | Low | 8 Ų | 8 | 62.4 Ų | 62.4 | 5% | 0.052 | 34% | 0.341 | C | S | . | . | trans | -83 | 134.6 | -167.8 | 32.8 | -37 | 0 | 0 | 0 | 115.7 | L374 D375 V381 D434 | P346-L374 CarbonylContact C-O 3.46Å; P346-L374 VanDerWaalsContact CA-O 3.31Å; P346-L374 WeakPolarHBondContact CA-O 3.44Å; P346-D375 HydrophobicContact CB-CB 4.27Å; P346-V381 HydrophobicContact CB-CG1 4.47Å; P346-V381 HydrophobicContact CB-CG2 3.92Å; P346-D434 WeakPolarHBondContact CD-OD2 3.3Å; P346-D434 HydrophobicContact CG-CB 3.98Å | ||
| 347 | V | 73.4 | Confident | 65.1 | Low | 79 Ų | 79 | 69.7 Ų | 69.7 | 48% | 0.479 | 37% | 0.37 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.7 | 129 | -171.2 | -178.8 | 0 | 0 | 0 | 0 | 112.1 | L349 A373 L374 | V347-L349 HydrophobicContact CG1-CD2 4.36Å; V347-A373 CarbonylContact O-C 3.48Å; V347-A373 WeakPolarHBondContact O-CA 3.35Å; V347-A373 WeakPolarHBondContact O-CB 3.46Å; V347-L374 PolarHBondContact N-O 2.63Å; V347-L374 PolarHBondContact O-N 3.19Å |
| 348 | F | 74.7 | Confident | 65.2 | Low | 11 Ų | 11 | 66.6 Ų | 66.6 | 5% | 0.048 | 36% | 0.359 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -70.6 | 132.2 | 173.4 | -88.1 | -65.6 | 0 | 0 | 0 | 112.7 | I371 Q372 A373 Y383 A432 A445 | F348-I371 HydrophobicContact CE1-CD1 3.52Å; F348-I371 HydrophobicContact CZ-CD1 4.09Å; F348-Q372 WeakPolarHBondContact CA-O 3.02Å; F348-Q372 WeakPolarHBondContact CD1-O 3.21Å; F348-A373 HydrophobicContact CD1-CB 3.93Å; F348-A373 HydrophobicContact CE1-CB 4.14Å; F348-A373 HydrophobicContact CG-CB 4.22Å; F348-Y383 HydrophobicContact CE1-CD1 4.01Å; F348-Y383 AromaticContact CE1-CE1 3.89Å; F348-Y383 HydrophobicContact CE1-CE1 3.89Å; F348-Y383 HydrophobicContact CZ-CD1 4.17Å; F348-Y383 HydrophobicContact CZ-CE1 4.37Å; F348-A432 HydrophobicContact CE1-CB 4.12Å; F348-A432 HydrophobicContact CE2-CB 3.57Å; F348-A432 HydrophobicContact CZ-CB 3.35Å; F348-A445 HydrophobicContact CD1-CB 4.18Å; F348-A445 HydrophobicContact CD2-CB 3.97Å; F348-A445 HydrophobicContact CE1-CB 4.34Å; F348-A445 HydrophobicContact CE2-CB 4.1Å; F348-A445 HydrophobicContact CG-CB 4Å; F348-A445 HydrophobicContact CZ-CB 4.28Å |
| 349 | L | 63.2 | Low | 64.6 | Low | 73 Ų | 73 | 68.1 Ų | 68.1 | 38% | 0.382 | 37% | 0.372 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.1 | 144.9 | -175.4 | -63.8 | 176.6 | 0 | 0 | 0 | 112.7 | V347 Y354 Q372 L374 | V347-L349 HydrophobicContact CG1-CD2 4.36Å; L349-Y354 WeakPolarHBondContact O-CE1 3.02Å; L349-Y354 PolarHBondContact O-OH 3.1Å; L349-Q372 PolarHBondContact N-O 2.81Å; L349-L374 HydrophobicContact CD1-CB 4.13Å; L349-L374 HydrophobicContact CD1-CD1 3.67Å; L349-L374 HydrophobicContact CD1-CG 3.86Å |
| 350 | P | 52.5 | Low | 64.4 | Low | 114 Ų | 114 | 67.1 Ų | 67.1 | 74% | 0.74 | 37% | 0.368 | S | S | * | . | S | Bend | cis | -78.2 | -16.6 | -6.8 | 32.6 | -35.5 | 0 | 0 | 0 | 113.1 | ||
| 351 | T | 65.1 | Low | 63.7 | Low | 75 Ų | 75 | 67.3 Ų | 67.3 | 46% | 0.46 | 37% | 0.368 | S | S | . | . | trans | -148.7 | 173.4 | 176.4 | 84.3 | 0 | 0 | 0 | 0 | 111 | M353 Y354 | T351-M353 PolarHBondContact O-N 2.9Å; T351-M353 PolarHBondContact OG1-N 3.47Å; T351-M353 VanDerWaalsContact OG1-N 3.08Å; T351-M353 PolarHBondContact OG1-O 3.39Å; T351-Y354 WeakPolarHBondContact O-CE2 3.01Å | ||
| 352 | S | 66.7 | Low | 63.2 | Low | 73 Ų | 73 | 64.2 Ų | 64.2 | 51% | 0.51 | 35% | 0.351 | S | S | . | . | S | Bend | trans | -78.9 | 11.7 | 173 | 55.8 | 0 | 0 | 0 | 0 | 115 | A445 T446 | S352-A445 CarbonylContact O-C 3.5Å; S352-A445 VanDerWaalsContact O-CA 3.25Å; S352-A445 WeakPolarHBondContact O-CA 3.32Å; S352-T446 PolarHBondContact O-N 2.95Å |
| 353 | M | 60.4 | Low | 62.5 | Low | 108 Ų | 108 | 62.1 Ų | 62.1 | 53% | 0.532 | 34% | 0.339 | S | S | . | . | B | Isolated β-bridge | trans | -143.9 | 129.2 | 177.5 | -172.3 | 167.7 | 168.7 | 0 | 0 | 113.6 | T351 T446 | T351-M353 PolarHBondContact O-N 2.9Å; T351-M353 PolarHBondContact OG1-N 3.47Å; T351-M353 VanDerWaalsContact OG1-N 3.08Å; T351-M353 PolarHBondContact OG1-O 3.39Å; M353-T446 CarbonylContact C-O 3.47Å; M353-T446 VanDerWaalsContact CA-O 3.29Å; M353-T446 WeakPolarHBondContact CA-O 3.18Å |
| 354 | Y | 67 | Low | 62.3 | Low | 25 Ų | 25 | 57.1 Ų | 57.1 | 10% | 0.098 | 31% | 0.314 | C | S | . | . | trans | -122.7 | 159.4 | -174.2 | -55.5 | -100.5 | 0 | 0 | 0 | 111.9 | L349 T351 I371 A445 T446 V447 R448 | L349-Y354 WeakPolarHBondContact O-CE1 3.02Å; L349-Y354 PolarHBondContact O-OH 3.1Å; T351-Y354 WeakPolarHBondContact O-CE2 3.01Å; Y354-I371 HydrophobicContact CD1-CG2 4.19Å; Y354-I371 HydrophobicContact CD2-CG2 3.65Å; Y354-I371 HydrophobicContact CE1-CG2 4.06Å; Y354-I371 HydrophobicContact CE2-CB 3.99Å; Y354-I371 HydrophobicContact CE2-CG2 3.5Å; Y354-I371 VanDerWaalsContact CE2-CG2 3.5Å; Y354-I371 HydrophobicContact CG-CG2 4.01Å; Y354-A445 HydrophobicContact CE2-CB 4.01Å; Y354-T446 PolarHBondContact N-O 3.34Å; Y354-V447 HydrophobicContact CD2-CG2 4.07Å; Y354-V447 HydrophobicContact CG-CG2 4.45Å; Y354-V447 CarbonylContact O-C 3.54Å; Y354-V447 WeakPolarHBondContact O-CA 3.05Å; Y354-R448 PolarHBondContact O-N 3.34Å | ||
| 355 | T | 60.8 | Low | 62 | Low | 54 Ų | 54 | 53.1 Ų | 53.1 | 33% | 0.331 | 30% | 0.296 | S | S | . | . | trans | -157.4 | 128.4 | 178.3 | -65.5 | 0 | 0 | 0 | 0 | 111.4 | Y357 R448 | T355-Y357 HydrophobicContact CG2-CE2 4.48Å; T355-R448 CarbonylContact C-O 3.41Å; T355-R448 WeakPolarHBondContact CA-O 3.39Å; T355-R448 HydrophobicContact CG2-CB 4.06Å; T355-R448 HydrophobicContact CG2-CG 4.05Å | ||
| 356 | E | 61.6 | Low | 62 | Low | 74 Ų | 74 | 53.2 Ų | 53.2 | 35% | 0.346 | 29% | 0.293 | S | S | . | . | trans | -133.6 | 179.3 | -168 | -64.5 | -60.1 | 162.2 | 0 | 0 | 114.2 | I368 A369 R448 I449 G450 | E356-I368 HydrophobicContact CB-CG2 3.9Å; E356-I368 WeakPolarHBondContact CG-O 3.08Å; E356-A369 HydrophobicContact CG-CB 3.91Å; E356-R448 PolarHBondContact N-O 3.46Å; E356-I449 CarbonylContact O-C 3.49Å; E356-I449 WeakPolarHBondContact O-CA 3.07Å; E356-G450 PolarHBondContact O-N 3.21Å | ||
| 357 | Y | 60.9 | Low | 61.4 | Low | 153 Ų | 153 | 56.5 Ų | 56.5 | 60% | 0.6 | 32% | 0.315 | S | S | * | . | trans | -142.6 | 155.9 | 178.5 | -63.5 | -106.8 | 0 | 0 | 0 | 110.8 | T355 G450 V451 | T355-Y357 HydrophobicContact CG2-CE2 4.48Å; Y357-G450 CarbonylContact C-O 3.55Å; Y357-G450 WeakPolarHBondContact CA-O 3.03Å; Y357-G450 VanDerWaalsContact CD1-C 3.44Å; Y357-V451 VanDerWaalsContact CD1-N 3.34Å | ||
| 358 | V | 66.9 | Low | 61.1 | Low | 10 Ų | 10 | 53.6 Ų | 53.6 | 6% | 0.061 | 30% | 0.296 | C | S | . | . | trans | -149.1 | 120.5 | -172.9 | 54.1 | 0 | 0 | 0 | 0 | 109.9 | A362 T366 L411 L420 I449 G450 V451 | V358-A362 HydrophobicContact CG2-CB 3.52Å; V358-T366 HydrophobicContact CG2-CG2 3.82Å; V358-L411 HydrophobicContact CG2-CD1 4.36Å; V358-L420 HydrophobicContact CG1-CD1 4.18Å; V358-L420 HydrophobicContact CG1-CD2 4.46Å; V358-L420 HydrophobicContact CG2-CD1 4.1Å; V358-I449 HydrophobicContact CG1-CG2 3.65Å; V358-G450 VanDerWaalsContact CG1-O 3.31Å; V358-G450 WeakPolarHBondContact CG1-O 3.44Å; V358-G450 PolarHBondContact N-O 2.98Å; V358-V451 VanDerWaalsContact O-CA 3.25Å; V358-V451 WeakPolarHBondContact O-CA 3.39Å | ||
| 359 | A | 57.4 | Low | 61 | Low | 33 Ų | 33 | 53.5 Ų | 53.5 | 27% | 0.273 | 30% | 0.297 | S | S | . | . | trans | -56 | 159.7 | -164.5 | 0 | 0 | 0 | 0 | 0 | 115.6 | D361 A362 | A359-D361 VanDerWaalsContact C-N 3.26Å; A359-D361 WeakPolarHBondContact CB-OD1 3.48Å; A359-D361 PolarHBondContact O-N 2.71Å; A359-A362 HydrophobicContact CB-CB 4.25Å; A359-A362 WeakPolarHBondContact O-CB 3.25Å; A359-A362 PolarHBondContact O-N 3.21Å | ||
| 360 | E | 56.5 | Low | 61.6 | Low | 69 Ų | 69 | 53.9 Ų | 53.9 | 32% | 0.322 | 30% | 0.303 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -72.3 | -22.2 | -169.9 | 86.8 | -169.3 | 93.4 | 0 | 0 | 114.2 | P417 V451 K452 K2478 | E360-P417 WeakPolarHBondContact O-CB 3.33Å; E360-V451 VanDerWaalsContact CA-CG1 3.45Å; E360-V451 HydrophobicContact CB-CG1 3.38Å; E360-K452 PolarHBondContact N-O 3.49Å; E360-K452 VanDerWaalsContact N-O 3.16Å; E360-K2478 WeakPolarHBondContact OE1-CE 3.25Å; E360-K2478 IonicContact OE1-NZ 3.59Å; E360-K2478 PolarHBondContact OE1-NZ 3.23Å; E360-K2478 IonicContact OE2-NZ 2.69Å |
| 361 | D | 46.9 | Very low | 62.7 | Low | 70 Ų | 70 | 48.4 Ų | 48.4 | 37% | 0.374 | 27% | 0.267 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -81.2 | -8.4 | 169.3 | 73.4 | -43 | 0 | 0 | 0 | 113.4 | A359 Q363 P417 E950 | A359-D361 VanDerWaalsContact C-N 3.26Å; A359-D361 WeakPolarHBondContact CB-OD1 3.48Å; A359-D361 PolarHBondContact O-N 2.71Å; D361-Q363 VanDerWaalsContact O-CD 3.24Å; D361-Q363 VanDerWaalsContact O-CG 3.24Å; D361-Q363 WeakPolarHBondContact O-CG 3.24Å; D361-Q363 PolarHBondContact O-NE2 3.42Å; D361-P417 VanDerWaalsContact O-CG 3.31Å; D361-P417 WeakPolarHBondContact O-CG 3.48Å; D361-E950 WeakPolarHBondContact CA-OE2 3.44Å |
| 362 | A | 55 | Low | 63 | Low | 9 Ų | 9 | 49.9 Ų | 49.9 | 7% | 0.074 | 27% | 0.269 | C | S | . | . | trans | -80 | 159.6 | -165.8 | 0 | 0 | 0 | 0 | 0 | 115 | V358 A359 L420 | V358-A362 HydrophobicContact CG2-CB 3.52Å; A359-A362 HydrophobicContact CB-CB 4.25Å; A359-A362 WeakPolarHBondContact O-CB 3.25Å; A359-A362 PolarHBondContact O-N 3.21Å; A362-L420 HydrophobicContact CB-CD1 4.34Å; A362-L420 VanDerWaalsContact O-CD1 3.28Å; A362-L420 WeakPolarHBondContact O-CD1 3.22Å | ||
| 363 | Q | 49.2 | Very low | 63.4 | Low | 13 Ų | 13 | 46.6 Ų | 46.6 | 6% | 0.061 | 25% | 0.246 | C | C | . | . | trans | -149.4 | -176.9 | -158.2 | -27.7 | 90.1 | 15.9 | 0 | 0 | 115.6 | D361 T366 L411 I415 P417 G952 Q953 N954 | D361-Q363 VanDerWaalsContact O-CD 3.24Å; D361-Q363 VanDerWaalsContact O-CG 3.24Å; D361-Q363 WeakPolarHBondContact O-CG 3.24Å; D361-Q363 PolarHBondContact O-NE2 3.42Å; Q363-T366 WeakPolarHBondContact O-CB 3.25Å; Q363-T366 PolarHBondContact O-N 3.1Å; Q363-T366 PolarHBondContact O-OG1 2.95Å; Q363-L411 VanDerWaalsContact O-CD1 3.31Å; Q363-L411 WeakPolarHBondContact O-CD1 3.46Å; Q363-I415 CarbonylContact C-O 3.49Å; Q363-I415 WeakPolarHBondContact CA-O 3.18Å; Q363-P417 HydrophobicContact CG-CG 4Å; Q363-G952 PolarHBondContact NE2-O 2.95Å; Q363-Q953 HydrophobicContact CG-CB 4.15Å; Q363-Q953 HydrophobicContact CG-CG 4.06Å; Q363-N954 HydrophobicContact CB-CB 3.72Å; Q363-N954 VanDerWaalsContact CD-N 3.25Å; Q363-N954 HydrophobicContact CG-CB 4.25Å; Q363-N954 VanDerWaalsContact CG-N 3.3Å; Q363-N954 PolarHBondContact OE1-ND2 3.48Å; Q363-N954 PolarHBondContact OE1-OD1 2.97Å | ||
| 364 | G | 61.8 | Low | 63.9 | Low | 6 Ų | 6 | 45.8 Ų | 45.8 | 6% | 0.062 | 24% | 0.244 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -58.6 | 143.5 | -172.6 | 0 | 0 | 0 | 0 | 0 | 112.6 | T366 I415 N954 | G364-T366 PolarHBondContact O-N 2.82Å; G364-I415 WeakPolarHBondContact CA-O 3.31Å; G364-I415 PolarHBondContact N-O 3.31Å; G364-N954 PolarHBondContact O-ND2 2.84Å |
| 365 | N | 59.3 | Low | 63.9 | Low | 27 Ų | 27 | 45.2 Ų | 45.2 | 14% | 0.144 | 24% | 0.242 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 66.5 | 3.2 | -167.8 | -64.5 | -65.4 | 0 | 0 | 0 | 116.7 | P367 K410 L411 E413 T957 | N365-P367 WeakPolarHBondContact O-CD 3.45Å; N365-K410 PolarHBondContact OD1-NZ 3.16Å; N365-L411 WeakPolarHBondContact CA-O 3.38Å; N365-L411 PolarHBondContact N-O 2.83Å; N365-E413 WeakPolarHBondContact ND2-CB 3.45Å; N365-T957 VanDerWaalsContact ND2-CB 3.26Å; N365-T957 WeakPolarHBondContact ND2-CB 3.35Å; N365-T957 PolarHBondContact ND2-OG1 2.82Å |
| 366 | T | 65.5 | Low | 64 | Low | 34 Ų | 34 | 45.5 Ų | 45.5 | 21% | 0.209 | 25% | 0.245 | C | C | . | . | trans | -57.6 | 123 | 166.7 | -72.1 | 0 | 0 | 0 | 0 | 110.1 | V358 Q363 G364 I368 K410 L411 | V358-T366 HydrophobicContact CG2-CG2 3.82Å; Q363-T366 WeakPolarHBondContact O-CB 3.25Å; Q363-T366 PolarHBondContact O-N 3.1Å; Q363-T366 PolarHBondContact O-OG1 2.95Å; G364-T366 PolarHBondContact O-N 2.82Å; T366-I368 WeakPolarHBondContact O-CG1 3.49Å; T366-K410 WeakPolarHBondContact O-CA 3.23Å; T366-L411 PolarHBondContact O-N 2.67Å | ||
| 367 | P | 64.8 | Low | 64.1 | Low | 77 Ų | 77 | 43.4 Ų | 43.4 | 50% | 0.5 | 24% | 0.236 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -66.3 | 144.4 | 169.8 | 30.7 | -34.2 | 0 | 0 | 0 | 109.4 | N365 Q408 | N365-P367 WeakPolarHBondContact O-CD 3.45Å; P367-Q408 HydrophobicContact CB-CG 4.36Å |
| 368 | I | 67.5 | Low | 64.1 | Low | 17 Ų | 17 | 44.4 Ų | 44.4 | 9% | 0.087 | 24% | 0.239 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.7 | -43.2 | -172 | -42.8 | 177.2 | 0 | 0 | 0 | 111.3 | E356 T366 F400 I409 L411 I449 | E356-I368 HydrophobicContact CB-CG2 3.9Å; E356-I368 WeakPolarHBondContact CG-O 3.08Å; T366-I368 WeakPolarHBondContact O-CG1 3.49Å; I368-F400 HydrophobicContact CD1-CD1 3.6Å; I368-F400 HydrophobicContact CD1-CE1 3.46Å; I368-F400 VanDerWaalsContact CD1-CE1 3.46Å; I368-I409 PolarHBondContact N-O 2.88Å; I368-L411 HydrophobicContact CD1-CB 4.37Å; I368-L411 HydrophobicContact CD1-CD2 3.86Å; I368-L411 HydrophobicContact CD1-CG 3.67Å; I368-L411 HydrophobicContact CG1-CG 4.25Å; I368-I449 HydrophobicContact CD1-CD1 3.66Å; I368-I449 HydrophobicContact CG2-CD1 4.03Å; I368-I449 HydrophobicContact CG2-CG1 4.05Å; I368-I449 HydrophobicContact CG2-CG2 4.48Å |
| 369 | A | 71.4 | Confident | 64 | Low | 9 Ų | 9 | 45.9 Ų | 45.9 | 7% | 0.074 | 25% | 0.246 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -145.4 | 156 | 178.9 | 0 | 0 | 0 | 0 | 0 | 109.5 | E356 I409 V447 | E356-A369 HydrophobicContact CG-CB 3.91Å; A369-I409 HydrophobicContact CB-CB 4.3Å; A369-I409 PolarHBondContact N-O 3.02Å; A369-I409 WeakPolarHBondContact O-CA 3.24Å; A369-I409 PolarHBondContact O-N 3.14Å; A369-V447 HydrophobicContact CB-CG1 4.17Å |
| 370 | T | 75.7 | Confident | 64.5 | Low | 81 Ų | 81 | 50.5 Ų | 50.5 | 50% | 0.497 | 26% | 0.262 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.5 | 126 | 160.8 | -58 | 0 | 0 | 0 | 0 | 107.1 | T406 | T370-T406 VanDerWaalsContact CG2-O 3.22Å; T370-T406 WeakPolarHBondContact CG2-O 3.15Å |
| 371 | I | 75.3 | Confident | 65.4 | Low | 0 Ų | 0 | 47.9 Ų | 47.9 | 0% | 0 | 25% | 0.251 | C | S | . | . | trans | -102 | 134.8 | 175.7 | 59.2 | 87.4 | 0 | 0 | 0 | 108.7 | F348 Y354 Y383 I402 G407 I409 V430 V447 | F348-I371 HydrophobicContact CE1-CD1 3.52Å; F348-I371 HydrophobicContact CZ-CD1 4.09Å; Y354-I371 HydrophobicContact CD1-CG2 4.19Å; Y354-I371 HydrophobicContact CD2-CG2 3.65Å; Y354-I371 HydrophobicContact CE1-CG2 4.06Å; Y354-I371 HydrophobicContact CE2-CB 3.99Å; Y354-I371 HydrophobicContact CE2-CG2 3.5Å; Y354-I371 VanDerWaalsContact CE2-CG2 3.5Å; Y354-I371 HydrophobicContact CG-CG2 4.01Å; I371-Y383 HydrophobicContact CD1-CD1 3.39Å; I371-Y383 HydrophobicContact CD1-CE1 3.91Å; I371-Y383 HydrophobicContact CD1-CG 4.01Å; I371-I402 HydrophobicContact CD1-CD1 3.95Å; I371-I402 HydrophobicContact CG1-CD1 3.84Å; I371-G407 WeakPolarHBondContact CG1-O 3.42Å; I371-G407 PolarHBondContact N-O 2.75Å; I371-G407 VanDerWaalsContact N-O 3.16Å; I371-I409 HydrophobicContact CG1-CD1 4.37Å; I371-I409 HydrophobicContact CG2-CD1 4.11Å; I371-V430 HydrophobicContact CD1-CB 4.37Å; I371-V430 HydrophobicContact CD1-CG1 3.55Å; I371-V430 HydrophobicContact CG1-CG1 4.11Å; I371-V430 HydrophobicContact CG1-CG2 4.4Å; I371-V447 HydrophobicContact CG2-CG2 4.02Å | ||
| 372 | Q | 72.1 | Confident | 66.6 | Low | 105 Ų | 105 | 46.5 Ų | 46.5 | 49% | 0.491 | 24% | 0.244 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.1 | 139.9 | -173.7 | -172.8 | 178.7 | 9.4 | 0 | 0 | 110.1 | F348 L349 | F348-Q372 WeakPolarHBondContact CA-O 3.02Å; F348-Q372 WeakPolarHBondContact CD1-O 3.21Å; L349-Q372 PolarHBondContact N-O 2.81Å |
| 373 | A | 75.5 | Confident | 67.8 | Low | 4 Ų | 4 | 46.7 Ų | 46.7 | 3% | 0.033 | 24% | 0.243 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.7 | 142.3 | 164.1 | 0 | 0 | 0 | 0 | 0 | 109.6 | V347 F348 V381 Y383 A432 | V347-A373 CarbonylContact O-C 3.48Å; V347-A373 WeakPolarHBondContact O-CA 3.35Å; V347-A373 WeakPolarHBondContact O-CB 3.46Å; F348-A373 HydrophobicContact CD1-CB 3.93Å; F348-A373 HydrophobicContact CE1-CB 4.14Å; F348-A373 HydrophobicContact CG-CB 4.22Å; A373-V381 HydrophobicContact CB-CG1 4.12Å; A373-Y383 HydrophobicContact CB-CE1 4.07Å; A373-Y383 PolarHBondContact N-OH 3.45Å; A373-Y383 PolarHBondContact O-OH 2.03Å; A373-A432 HydrophobicContact CB-CB 4.2Å |
| 374 | L | 69.8 | Low | 68.9 | Low | 91 Ų | 91 | 51 Ų | 51 | 48% | 0.476 | 26% | 0.259 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.4 | 145.5 | 173.8 | -70 | -177.4 | 0 | 0 | 0 | 110 | P346 V347 L349 | P346-L374 CarbonylContact C-O 3.46Å; P346-L374 VanDerWaalsContact CA-O 3.31Å; P346-L374 WeakPolarHBondContact CA-O 3.44Å; V347-L374 PolarHBondContact N-O 2.63Å; V347-L374 PolarHBondContact O-N 3.19Å; L349-L374 HydrophobicContact CD1-CB 4.13Å; L349-L374 HydrophobicContact CD1-CD1 3.67Å; L349-L374 HydrophobicContact CD1-CG 3.86Å |
| 375 | D | 67.9 | Low | 69.6 | Low | 13 Ų | 13 | 53.3 Ų | 53.3 | 7% | 0.07 | 27% | 0.268 | C | S | . | . | trans | -103.4 | 128.5 | 172.7 | -171.8 | -87.3 | 0 | 0 | 0 | 110 | P346 D377 R378 D379 V381 | P346-D375 HydrophobicContact CB-CB 4.27Å; D375-D377 WeakPolarHBondContact OD1-CB 3.34Å; D375-D377 PolarHBondContact OD1-N 2.81Å; D375-R378 PolarHBondContact O-N 2.98Å; D375-R378 VanDerWaalsContact O-N 3.13Å; D375-R378 PolarHBondContact OD1-N 2.76Å; D375-D379 HydrophobicContact CB-CB 4.5Å; D375-D379 PolarHBondContact OD1-N 2.96Å; D375-V381 HydrophobicContact CB-CG2 4.1Å | ||
| 376 | P | 63.2 | Low | 69.7 | Low | 61 Ų | 61 | 56.8 Ų | 56.8 | 40% | 0.396 | 29% | 0.286 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -66.1 | -33.9 | -177 | -23.7 | 35.3 | 0 | 0 | 0 | 114.5 | E344 A345 R378 | E344-P376 HydrophobicContact CB-CB 3.79Å; E344-P376 HydrophobicContact CB-CG 3.89Å; E344-P376 HydrophobicContact CG-CB 4.23Å; E344-P376 HydrophobicContact CG-CG 4.45Å; A345-P376 WeakPolarHBondContact O-CD 3.38Å; P376-R378 PolarHBondContact O-N 2.69Å |
| 377 | D | 63.3 | Low | 69 | Low | 30 Ų | 30 | 60 Ų | 60 | 16% | 0.16 | 31% | 0.31 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -72.4 | -8.9 | 175.4 | -66.1 | -42.6 | 0 | 0 | 0 | 112.1 | N342 D343 E344 D375 | N342-D377 WeakPolarHBondContact CA-OD1 3.39Å; N342-D377 HydrophobicContact CB-CB 4.5Å; N342-D377 WeakPolarHBondContact ND2-CB 3.48Å; N342-D377 PolarHBondContact ND2-OD2 3.01Å; D343-D377 PolarHBondContact N-OD1 3.37Å; D343-D377 PolarHBondContact N-OD2 2.96Å; D343-D377 VanDerWaalsContact N-OD2 3.07Å; E344-D377 PolarHBondContact N-OD2 3.18Å; D375-D377 WeakPolarHBondContact OD1-CB 3.34Å; D375-D377 PolarHBondContact OD1-N 2.81Å |
| 378 | R | 61.9 | Low | 67.9 | Low | 173 Ų | 173 | 61.4 Ų | 61.4 | 65% | 0.653 | 32% | 0.321 | S | S | * | . | trans | 71.2 | 30.5 | -174.1 | -56.7 | 178.1 | 155.4 | -150.3 | -7.5 | 114.7 | L308 D375 P376 | L308-R378 PolarHBondContact O-NH2 3.42Å; D375-R378 PolarHBondContact O-N 2.98Å; D375-R378 VanDerWaalsContact O-N 3.13Å; D375-R378 PolarHBondContact OD1-N 2.76Å; P376-R378 PolarHBondContact O-N 2.69Å | ||
| 379 | D | 64.9 | Low | 66.5 | Low | 41 Ų | 41 | 67 Ų | 67 | 22% | 0.219 | 36% | 0.358 | C | S | . | . | trans | -73.7 | 167.5 | 166.9 | -75.5 | -45.6 | 0 | 0 | 0 | 112.5 | N342 D375 G436 | N342-D379 PolarHBondContact ND2-OD2 3.14Å; D375-D379 HydrophobicContact CB-CB 4.5Å; D375-D379 PolarHBondContact OD1-N 2.96Å; D379-G436 WeakPolarHBondContact OD1-CA 3.49Å; D379-G436 WeakPolarHBondContact OD2-CA 3.41Å | ||
| 380 | Q | 67.6 | Low | 65.1 | Low | 130 Ų | 130 | 70.7 Ų | 70.7 | 61% | 0.607 | 40% | 0.398 | S | S | * | . | trans | -97 | 131.4 | -170.7 | -167.2 | -177.1 | 13.5 | 0 | 0 | 112.9 | D434 N435 | Q380-D434 CarbonylContact O-C 3.58Å; Q380-D434 WeakPolarHBondContact O-CA 3.48Å; Q380-N435 PolarHBondContact N-OD1 2.04Å; Q380-N435 PolarHBondContact O-N 3.01Å | ||
| 381 | V | 74.4 | Confident | 63.1 | Low | 15 Ų | 15 | 71.9 Ų | 71.9 | 9% | 0.091 | 41% | 0.41 | C | S | . | . | trans | -105.3 | 143.7 | -171 | -172.3 | 0 | 0 | 0 | 0 | 113.1 | P346 A373 D375 Y383 A432 T433 | P346-V381 HydrophobicContact CB-CG1 4.47Å; P346-V381 HydrophobicContact CB-CG2 3.92Å; A373-V381 HydrophobicContact CB-CG1 4.12Å; D375-V381 HydrophobicContact CB-CG2 4.1Å; V381-Y383 HydrophobicContact CG1-CE1 4.21Å; V381-A432 HydrophobicContact CG1-CB 3.89Å; V381-T433 CarbonylContact C-O 3.47Å; V381-T433 VanDerWaalsContact CA-O 3.28Å; V381-T433 WeakPolarHBondContact CA-O 3.31Å | ||
| 382 | N | 72.4 | Confident | 61.1 | Low | 41 Ų | 41 | 83 Ų | 83 | 22% | 0.219 | 45% | 0.451 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.1 | 150.1 | 179.9 | -57.8 | -107.9 | 0 | 0 | 0 | 111.5 | Y384 K404 A432 T433 | N382-Y384 HydrophobicContact CB-CE2 4.25Å; N382-K404 CarbonylContact C-O 3.49Å; N382-K404 WeakPolarHBondContact CA-O 3.15Å; N382-A432 CarbonylContact O-C 3.46Å; N382-A432 WeakPolarHBondContact O-CA 3.39Å; N382-T433 PolarHBondContact N-O 3.33Å; N382-T433 PolarHBondContact O-N 2.84Å |
| 383 | Y | 79.3 | Confident | 59.5 | Low | 13 Ų | 13 | 84 Ų | 84 | 5% | 0.051 | 47% | 0.467 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127 | 147.6 | -171.6 | -52.5 | -83.2 | 0 | 0 | 0 | 115.7 | F348 I371 A373 V381 K404 L431 A432 | F348-Y383 HydrophobicContact CE1-CD1 4.01Å; F348-Y383 AromaticContact CE1-CE1 3.89Å; F348-Y383 HydrophobicContact CE1-CE1 3.89Å; F348-Y383 HydrophobicContact CZ-CD1 4.17Å; F348-Y383 HydrophobicContact CZ-CE1 4.37Å; I371-Y383 HydrophobicContact CD1-CD1 3.39Å; I371-Y383 HydrophobicContact CD1-CE1 3.91Å; I371-Y383 HydrophobicContact CD1-CG 4.01Å; A373-Y383 HydrophobicContact CB-CE1 4.07Å; A373-Y383 PolarHBondContact N-OH 3.45Å; A373-Y383 PolarHBondContact O-OH 2.03Å; V381-Y383 HydrophobicContact CG1-CE1 4.21Å; Y383-K404 PolarHBondContact N-O 3.16Å; Y383-K404 WeakPolarHBondContact O-CA 3.38Å; Y383-L431 CarbonylContact C-O 3.58Å; Y383-L431 VanDerWaalsContact CA-O 3.3Å; Y383-L431 WeakPolarHBondContact CA-O 3.34Å; Y383-A432 HydrophobicContact CD1-CB 3.94Å; Y383-A432 HydrophobicContact CE1-CB 4.09Å |
| 384 | Y | 72.8 | Confident | 57.8 | Low | 104 Ų | 104 | 88.8 Ų | 88.8 | 41% | 0.408 | 50% | 0.496 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -151.2 | 146.8 | 179 | -54.4 | -79.1 | 0 | 0 | 0 | 115.3 | N382 K404 V430 L431 | N382-Y384 HydrophobicContact CB-CE2 4.25Å; Y384-K404 HydrophobicContact CE1-CB 4.4Å; Y384-V430 CarbonylContact O-C 3.51Å; Y384-V430 VanDerWaalsContact O-CA 3.32Å; Y384-V430 WeakPolarHBondContact O-CA 3.47Å; Y384-V430 WeakPolarHBondContact O-CG1 3.4Å; Y384-L431 HydrophobicContact CD2-CD2 4.25Å; Y384-L431 PolarHBondContact N-O 3.27Å; Y384-L431 PolarHBondContact O-N 3.11Å |
| 385 | F | 77.2 | Confident | 56.6 | Low | 54 Ų | 54 | 92.8 Ų | 92.8 | 24% | 0.237 | 51% | 0.512 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -80.3 | 134.7 | 167.2 | -83 | -21.9 | 0 | 0 | 0 | 113.2 | S387 F400 E401 I402 I409 L428 T429 V430 | F385-S387 PolarHBondContact O-N 2.88Å; F385-F400 HydrophobicContact CE2-CB 4.38Å; F385-E401 VanDerWaalsContact CE2-C 3.47Å; F385-I402 HydrophobicContact CB-CG2 4.03Å; F385-I402 HydrophobicContact CD1-CB 3.98Å; F385-I402 HydrophobicContact CD1-CD1 4.2Å; F385-I402 HydrophobicContact CD1-CG2 3.64Å; F385-I402 HydrophobicContact CD2-CB 4.07Å; F385-I402 HydrophobicContact CD2-CG2 3.67Å; F385-I402 HydrophobicContact CE1-CB 3.75Å; F385-I402 HydrophobicContact CE1-CD1 4Å; F385-I402 HydrophobicContact CE1-CG1 4.39Å; F385-I402 HydrophobicContact CE1-CG2 3.97Å; F385-I402 HydrophobicContact CE2-CB 3.87Å; F385-I402 HydrophobicContact CE2-CG2 4.01Å; F385-I402 HydrophobicContact CG-CB 4.13Å; F385-I402 HydrophobicContact CG-CG2 3.46Å; F385-I402 VanDerWaalsContact CG-CG2 3.46Å; F385-I402 HydrophobicContact CZ-CB 3.68Å; F385-I402 HydrophobicContact CZ-CG2 4.14Å; F385-I409 HydrophobicContact CE1-CD1 3.9Å; F385-I409 HydrophobicContact CE1-CG1 4.05Å; F385-I409 HydrophobicContact CZ-CD1 4.19Å; F385-I409 HydrophobicContact CZ-CG1 3.99Å; F385-I409 HydrophobicContact CZ-CG2 4.13Å; F385-L428 HydrophobicContact CE1-CB 4.27Å; F385-L428 HydrophobicContact CE1-CD1 4.29Å; F385-L428 HydrophobicContact CE2-CD2 4.34Å; F385-L428 HydrophobicContact CZ-CD1 3.82Å; F385-L428 HydrophobicContact CZ-CD2 4.08Å; F385-L428 HydrophobicContact CZ-CG 4.37Å; F385-T429 WeakPolarHBondContact CD1-O 3.23Å; F385-V430 HydrophobicContact CD1-CG2 4.03Å; F385-V430 HydrophobicContact CE1-CG2 4.01Å |
| 386 | L | 60.4 | Low | 55.6 | Low | 99 Ų | 99 | 96.3 Ų | 96.3 | 52% | 0.518 | 53% | 0.534 | S | S | . | . | trans | -81.5 | 82.3 | -178.7 | -96.5 | 163.9 | 0 | 0 | 0 | 113.7 | T429 L431 T444 | L386-T429 HydrophobicContact CB-CG2 4.46Å; L386-T429 HydrophobicContact CD1-CG2 4.36Å; L386-T429 PolarHBondContact N-O 3.37Å; L386-T429 VanDerWaalsContact N-O 3.16Å; L386-L431 HydrophobicContact CD1-CB 4.46Å; L386-L431 HydrophobicContact CG-CB 4.5Å; L386-T444 HydrophobicContact CD1-CG2 4.08Å | ||
| 387 | S | 51.5 | Low | 55.1 | Low | 102 Ų | 102 | 98.5 Ų | 98.5 | 71% | 0.713 | 54% | 0.542 | S | S | * | . | P | Polyproline II helix | trans | -79.1 | 118.5 | 173.9 | -71.1 | 0 | 0 | 0 | 0 | 112.9 | F385 | F385-S387 PolarHBondContact O-N 2.88Š|
| 388 | S | 41.9 | Very low | 54.6 | Low | 107 Ų | 107 | 98.1 Ų | 98.1 | 75% | 0.748 | 55% | 0.545 | S | S | * | . | P | Polyproline II helix | trans | -68.5 | 125.4 | -179.7 | -78 | 0 | 0 | 0 | 0 | 113.5 | ||
| 389 | P | 38.1 | Very low | 55 | Low | 133 Ų | 133 | 91.6 Ų | 91.6 | 86% | 0.864 | 52% | 0.522 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -74.1 | 133.3 | -177.1 | 28.9 | -34.8 | 0 | 0 | 0 | 113 | ||
| 390 | G | 40.8 | Very low | 55.7 | Low | 87 Ų | 87 | 89.9 Ų | 89.9 | 90% | 0.897 | 51% | 0.512 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 112.8 | -9.3 | 166.4 | 0 | 0 | 0 | 0 | 0 | 116.8 | ||
| 391 | S | 35 | Very low | 55.8 | Low | 107 Ų | 107 | 86.9 Ų | 86.9 | 75% | 0.748 | 50% | 0.499 | S | S | * | . | S | Bend | trans | -101.2 | 150.6 | 175.3 | -68.9 | 0 | 0 | 0 | 0 | 111.9 | ||
| 392 | R | 32 | Very low | 56 | Low | 232 Ų | 232 | 87.8 Ų | 87.8 | 88% | 0.875 | 50% | 0.502 | S | S | * | . | P | Polyproline II helix | trans | -72 | 143.8 | 163.3 | -74.7 | -176.9 | 175.9 | 177.5 | -2 | 109 | T394 | R392-T394 PolarHBondContact O-N 2.03Š|
| 393 | P | 38.7 | Very low | 55.9 | Low | 128 Ų | 128 | 88.9 Ų | 88.9 | 83% | 0.831 | 51% | 0.508 | S | S | * | . | P | Polyproline II helix | trans | -62.1 | 125.2 | 180 | 25.2 | -33.9 | 0 | 0 | 0 | 110.8 | ||
| 394 | T | 39.6 | Very low | 55.4 | Low | 103 Ų | 103 | 93 Ų | 93 | 63% | 0.632 | 53% | 0.527 | S | S | * | . | P | Polyproline II helix | trans | -77 | 147.4 | 161.5 | 43.9 | 0 | 0 | 0 | 0 | 108.8 | R392 V396 | R392-T394 PolarHBondContact O-N 2.03Å; T394-V396 PolarHBondContact O-N 3.1Å |
| 395 | H | 45 | Very low | 54.6 | Low | 175 Ų | 175 | 91.9 Ų | 91.9 | 81% | 0.81 | 53% | 0.527 | S | S | * | . | G | 310 helix | trans | -57.5 | -21.3 | -171.3 | -101.5 | -109.7 | 0 | 0 | 0 | 115.1 | L397 G398 | H395-L397 PolarHBondContact O-N 3.39Å; H395-G398 VanDerWaalsContact O-CA 3.28Å; H395-G398 WeakPolarHBondContact O-CA 3.44Å; H395-G398 PolarHBondContact O-N 2.89Å |
| 396 | V | 47.7 | Very low | 54.3 | Low | 88 Ų | 88 | 93 Ų | 93 | 53% | 0.533 | 54% | 0.539 | S | S | . | . | G | 310 helix | trans | -73.1 | -27.3 | -170 | -168.3 | 0 | 0 | 0 | 0 | 113.9 | T394 G398 H399 | T394-V396 PolarHBondContact O-N 3.1Å; V396-G398 PolarHBondContact O-N 2.85Å; V396-H399 PolarHBondContact O-CD2 3.47Å |
| 397 | L | 51.9 | Low | 55.1 | Low | 106 Ų | 106 | 88.3 Ų | 88.3 | 56% | 0.555 | 52% | 0.515 | S | S | * | . | G | 310 helix | trans | -84.1 | 16.8 | 167.1 | -73.3 | 168.6 | 0 | 0 | 0 | 111.7 | H395 R412 L428 | H395-L397 PolarHBondContact O-N 3.39Å; L397-R412 PolarHBondContact O-NH2 3.42Å; L397-L428 HydrophobicContact CD2-CD2 4.06Å |
| 398 | G | 54 | Low | 56.2 | Low | 23 Ų | 23 | 86.9 Ų | 86.9 | 24% | 0.237 | 50% | 0.497 | C | S | . | . | G | 310 helix | trans | -80.2 | -24.6 | 179.9 | 0 | 0 | 0 | 0 | 0 | 114.4 | H395 V396 R412 | H395-G398 VanDerWaalsContact O-CA 3.28Å; H395-G398 WeakPolarHBondContact O-CA 3.44Å; H395-G398 PolarHBondContact O-N 2.89Å; V396-G398 PolarHBondContact O-N 2.85Å; G398-R412 WeakPolarHBondContact O-CB 3.45Å; G398-R412 VanDerWaalsContact O-CD 3.26Å; G398-R412 WeakPolarHBondContact O-CD 3.41Å; G398-R412 PolarHBondContact O-NE 2.95Å; G398-R412 PolarHBondContact O-NH1 2.88Å; G398-R412 VanDerWaalsContact O-NH1 3.14Å |
| 399 | H | 69.9 | Low | 57.8 | Low | 35 Ų | 35 | 81.9 Ų | 81.9 | 16% | 0.162 | 46% | 0.461 | C | S | . | . | S | Bend | trans | -89 | -3.8 | -163.3 | -55.3 | -101.5 | 0 | 0 | 0 | 114.6 | V396 L411 R412 I415 Y426 | V396-H399 PolarHBondContact O-CD2 3.47Å; H399-L411 CarbonylContact O-C 3.42Å; H399-L411 WeakPolarHBondContact O-CA 3.31Å; H399-R412 PolarHBondContact O-N 3.48Å; H399-I415 HydrophobicContact CB-CD1 4.31Å; H399-I415 HydrophobicContact CB-CG1 4.14Å; H399-I415 VanDerWaalsContact ND1-CD1 3.27Å; H399-I415 WeakPolarHBondContact ND1-CD1 3.05Å; H399-Y426 HydrophobicContact CB-CE1 4.35Å; H399-Y426 AromaticContact CD2-CE1 3.73Å; H399-Y426 AromaticContact CG-CE1 3.84Å |
| 400 | F | 78.8 | Confident | 59.3 | Low | 5 Ų | 5 | 77.5 Ų | 77.5 | 2% | 0.022 | 43% | 0.429 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -140.8 | 160.2 | -171.4 | -48.8 | -72.4 | 0 | 0 | 0 | 114.1 | I368 F385 K410 L411 R412 Y426 L428 I449 | I368-F400 HydrophobicContact CD1-CD1 3.6Å; I368-F400 HydrophobicContact CD1-CE1 3.46Å; I368-F400 VanDerWaalsContact CD1-CE1 3.46Å; F385-F400 HydrophobicContact CE2-CB 4.38Å; F400-K410 WeakPolarHBondContact CA-O 3.32Å; F400-L411 HydrophobicContact CD1-CD2 4.18Å; F400-L411 HydrophobicContact CE1-CD2 3.59Å; F400-L411 HydrophobicContact CZ-CD2 4.39Å; F400-R412 PolarHBondContact O-NE 3.44Å; F400-R412 PolarHBondContact O-NH2 3.41Å; F400-Y426 AromaticContact CE2-CD1 3.64Å; F400-Y426 HydrophobicContact CE2-CD1 3.64Å; F400-Y426 HydrophobicContact CE2-CD2 4.33Å; F400-Y426 HydrophobicContact CE2-CE1 4.36Å; F400-Y426 AromaticContact CE2-CG 3.61Å; F400-Y426 HydrophobicContact CE2-CG 3.61Å; F400-Y426 AromaticContact CZ-CD1 3.84Å; F400-Y426 HydrophobicContact CZ-CD1 3.84Å; F400-Y426 AromaticContact CZ-CD2 3.72Å; F400-Y426 HydrophobicContact CZ-CD2 3.72Å; F400-Y426 HydrophobicContact CZ-CE1 4.39Å; F400-Y426 HydrophobicContact CZ-CE2 4.29Å; F400-Y426 AromaticContact CZ-CG 3.46Å; F400-Y426 HydrophobicContact CZ-CG 3.46Å; F400-Y426 VanDerWaalsContact CZ-CG 3.46Å; F400-L428 HydrophobicContact CB-CD1 3.9Å; F400-L428 HydrophobicContact CB-CD2 4.09Å; F400-L428 HydrophobicContact CD1-CD1 4.39Å; F400-L428 HydrophobicContact CD2-CD1 4Å; F400-L428 HydrophobicContact CD2-CD2 3.82Å; F400-L428 HydrophobicContact CD2-CG 4.17Å; F400-L428 HydrophobicContact CG-CD1 3.8Å; F400-L428 HydrophobicContact CG-CD2 4.21Å; F400-L428 HydrophobicContact CG-CG 4.44Å; F400-I449 HydrophobicContact CD1-CD1 3.94Å; F400-I449 HydrophobicContact CE1-CD1 3.12Å; F400-I449 HydrophobicContact CE2-CD1 4.28Å; F400-I449 HydrophobicContact CZ-CD1 3.36Å |
| 401 | E | 70.4 | Confident | 60.8 | Low | 68 Ų | 68 | 73.4 Ų | 73.4 | 32% | 0.318 | 39% | 0.386 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -147.5 | 162.6 | 170.1 | 64.2 | -166.2 | 114.8 | 0 | 0 | 109.9 | F385 I409 K410 R412 | F385-E401 VanDerWaalsContact CE2-C 3.47Å; E401-I409 WeakPolarHBondContact O-CA 3.36Å; E401-K410 HydrophobicContact CG-CD 4.34Å; E401-K410 HydrophobicContact CG-CG 3.61Å; E401-K410 PolarHBondContact N-O 2.99Å; E401-K410 PolarHBondContact O-N 3.32Å; E401-K410 VanDerWaalsContact O-N 3.14Å; E401-K410 IonicContact OE1-NZ 3.18Å; E401-K410 PolarHBondContact OE1-NZ 3.39Å; E401-K410 IonicContact OE2-NZ 2.79Å; E401-K410 PolarHBondContact OE2-NZ 3.09Å; E401-K410 VanDerWaalsContact OE2-NZ 3.09Å; E401-R412 WeakPolarHBondContact OE1-CA 3.27Å |
| 402 | I | 78.6 | Confident | 62.3 | Low | 33 Ų | 33 | 73.2 Ų | 73.2 | 17% | 0.169 | 37% | 0.369 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -131 | 141.2 | 178.1 | -165.4 | 172.9 | 0 | 0 | 0 | 111.2 | I371 F385 Q408 I409 V430 | I371-I402 HydrophobicContact CD1-CD1 3.95Å; I371-I402 HydrophobicContact CG1-CD1 3.84Å; F385-I402 HydrophobicContact CB-CG2 4.03Å; F385-I402 HydrophobicContact CD1-CB 3.98Å; F385-I402 HydrophobicContact CD1-CD1 4.2Å; F385-I402 HydrophobicContact CD1-CG2 3.64Å; F385-I402 HydrophobicContact CD2-CB 4.07Å; F385-I402 HydrophobicContact CD2-CG2 3.67Å; F385-I402 HydrophobicContact CE1-CB 3.75Å; F385-I402 HydrophobicContact CE1-CD1 4Å; F385-I402 HydrophobicContact CE1-CG1 4.39Å; F385-I402 HydrophobicContact CE1-CG2 3.97Å; F385-I402 HydrophobicContact CE2-CB 3.87Å; F385-I402 HydrophobicContact CE2-CG2 4.01Å; F385-I402 HydrophobicContact CG-CB 4.13Å; F385-I402 HydrophobicContact CG-CG2 3.46Å; F385-I402 VanDerWaalsContact CG-CG2 3.46Å; F385-I402 HydrophobicContact CZ-CB 3.68Å; F385-I402 HydrophobicContact CZ-CG2 4.14Å; I402-Q408 CarbonylContact C-O 3.47Å; I402-Q408 VanDerWaalsContact CA-O 3.31Å; I402-Q408 WeakPolarHBondContact CA-O 3.47Å; I402-I409 HydrophobicContact CB-CG1 4.06Å; I402-I409 HydrophobicContact CD1-CD1 4.12Å; I402-I409 HydrophobicContact CD1-CG1 3.71Å; I402-I409 HydrophobicContact CG1-CG1 3.66Å; I402-V430 HydrophobicContact CD1-CG1 3.46Å; I402-V430 VanDerWaalsContact CD1-CG1 3.46Å; I402-V430 HydrophobicContact CD1-CG2 4.29Å |
| 403 | D | 70.3 | Confident | 64 | Low | 65 Ų | 65 | 66.5 Ų | 66.5 | 35% | 0.348 | 35% | 0.348 | S | S | . | . | trans | -80.2 | 147.2 | 171.3 | -177.6 | -100.6 | 0 | 0 | 0 | 112.9 | D405 T406 G407 Q408 | D403-D405 PolarHBondContact OD1-N 2.99Å; D403-T406 WeakPolarHBondContact CB-OG1 3.47Å; D403-T406 VanDerWaalsContact CG-OG1 3.25Å; D403-T406 WeakPolarHBondContact OD1-CB 3.33Å; D403-T406 PolarHBondContact OD1-N 3.17Å; D403-T406 PolarHBondContact OD1-OG1 3.44Å; D403-G407 WeakPolarHBondContact O-CA 3.28Å; D403-G407 PolarHBondContact O-N 3.27Å; D403-Q408 HydrophobicContact CB-CB 4.42Å; D403-Q408 PolarHBondContact N-O 3.43Å | ||
| 404 | K | 68.2 | Low | 64.7 | Low | 100 Ų | 100 | 63.2 Ų | 63.2 | 44% | 0.435 | 34% | 0.337 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -87.2 | -19 | -171.7 | 67.4 | 153.1 | -175.9 | 66.9 | 0 | 115.8 | N382 Y383 Y384 | N382-K404 CarbonylContact C-O 3.49Å; N382-K404 WeakPolarHBondContact CA-O 3.15Å; Y383-K404 PolarHBondContact N-O 3.16Å; Y383-K404 WeakPolarHBondContact O-CA 3.38Å; Y384-K404 HydrophobicContact CE1-CB 4.4Å |
| 405 | D | 57 | Low | 65.7 | Low | 79 Ų | 79 | 59.2 Ų | 59.2 | 42% | 0.422 | 31% | 0.311 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -111 | -31.4 | -175 | -55.6 | -43.7 | 0 | 0 | 0 | 111.4 | D403 | D403-D405 PolarHBondContact OD1-N 2.99Š|
| 406 | T | 71 | Confident | 66.2 | Low | 79 Ų | 79 | 51.2 Ų | 51.2 | 49% | 0.485 | 28% | 0.276 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -103.4 | -17.5 | -178.4 | 62.8 | 0 | 0 | 0 | 0 | 113.8 | T370 D403 Q408 | T370-T406 VanDerWaalsContact CG2-O 3.22Å; T370-T406 WeakPolarHBondContact CG2-O 3.15Å; D403-T406 WeakPolarHBondContact CB-OG1 3.47Å; D403-T406 VanDerWaalsContact CG-OG1 3.25Å; D403-T406 WeakPolarHBondContact OD1-CB 3.33Å; D403-T406 PolarHBondContact OD1-N 3.17Å; D403-T406 PolarHBondContact OD1-OG1 3.44Å; T406-Q408 PolarHBondContact O-N 3.48Å; T406-Q408 PolarHBondContact OG1-N 3.31Å |
| 407 | G | 77.3 | Confident | 66.5 | Low | 0 Ų | 0 | 47 Ų | 47 | 0% | 0 | 25% | 0.251 | C | S | . | . | trans | 68.6 | 11.7 | -174.3 | 0 | 0 | 0 | 0 | 0 | 114.6 | I371 D403 I409 | I371-G407 WeakPolarHBondContact CG1-O 3.42Å; I371-G407 PolarHBondContact N-O 2.75Å; I371-G407 VanDerWaalsContact N-O 3.16Å; D403-G407 WeakPolarHBondContact O-CA 3.28Å; D403-G407 PolarHBondContact O-N 3.27Å; G407-I409 PolarHBondContact O-N 3.44Å | ||
| 408 | Q | 74.3 | Confident | 66.2 | Low | 72 Ų | 72 | 43 Ų | 43 | 34% | 0.336 | 23% | 0.233 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -66.6 | 123.9 | 179.3 | -176.5 | 174.1 | 91.9 | 0 | 0 | 111.8 | P367 I402 D403 T406 | P367-Q408 HydrophobicContact CB-CG 4.36Å; I402-Q408 CarbonylContact C-O 3.47Å; I402-Q408 VanDerWaalsContact CA-O 3.31Å; I402-Q408 WeakPolarHBondContact CA-O 3.47Å; D403-Q408 HydrophobicContact CB-CB 4.42Å; D403-Q408 PolarHBondContact N-O 3.43Å; T406-Q408 PolarHBondContact O-N 3.48Å; T406-Q408 PolarHBondContact OG1-N 3.31Å |
| 409 | I | 75.6 | Confident | 66.2 | Low | 1 Ų | 1 | 45.2 Ų | 45.2 | 1% | 0.005 | 24% | 0.239 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -99.8 | 126.8 | 173 | -63.1 | 171.3 | 0 | 0 | 0 | 109.2 | I368 A369 I371 F385 E401 I402 G407 L428 V430 V447 | I368-I409 PolarHBondContact N-O 2.88Å; A369-I409 HydrophobicContact CB-CB 4.3Å; A369-I409 PolarHBondContact N-O 3.02Å; A369-I409 WeakPolarHBondContact O-CA 3.24Å; A369-I409 PolarHBondContact O-N 3.14Å; I371-I409 HydrophobicContact CG1-CD1 4.37Å; I371-I409 HydrophobicContact CG2-CD1 4.11Å; F385-I409 HydrophobicContact CE1-CD1 3.9Å; F385-I409 HydrophobicContact CE1-CG1 4.05Å; F385-I409 HydrophobicContact CZ-CD1 4.19Å; F385-I409 HydrophobicContact CZ-CG1 3.99Å; F385-I409 HydrophobicContact CZ-CG2 4.13Å; E401-I409 WeakPolarHBondContact O-CA 3.36Å; I402-I409 HydrophobicContact CB-CG1 4.06Å; I402-I409 HydrophobicContact CD1-CD1 4.12Å; I402-I409 HydrophobicContact CD1-CG1 3.71Å; I402-I409 HydrophobicContact CG1-CG1 3.66Å; G407-I409 PolarHBondContact O-N 3.44Å; I409-L428 HydrophobicContact CG2-CD1 3.84Å; I409-V430 HydrophobicContact CD1-CG2 4.4Å; I409-V447 HydrophobicContact CD1-CB 4.32Å; I409-V447 HydrophobicContact CD1-CG1 4.34Å; I409-V447 HydrophobicContact CD1-CG2 3.69Å |
| 410 | K | 69.4 | Low | 65.8 | Low | 42 Ų | 42 | 44 Ų | 44 | 18% | 0.183 | 23% | 0.234 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.3 | 158.4 | 179.8 | 64.1 | -171.7 | 176.9 | 77.3 | 0 | 113 | N365 T366 F400 E401 R412 | N365-K410 PolarHBondContact OD1-NZ 3.16Å; T366-K410 WeakPolarHBondContact O-CA 3.23Å; F400-K410 WeakPolarHBondContact CA-O 3.32Å; E401-K410 HydrophobicContact CG-CD 4.34Å; E401-K410 HydrophobicContact CG-CG 3.61Å; E401-K410 PolarHBondContact N-O 2.99Å; E401-K410 PolarHBondContact O-N 3.32Å; E401-K410 VanDerWaalsContact O-N 3.14Å; E401-K410 IonicContact OE1-NZ 3.18Å; E401-K410 PolarHBondContact OE1-NZ 3.39Å; E401-K410 IonicContact OE2-NZ 2.79Å; E401-K410 PolarHBondContact OE2-NZ 3.09Å; E401-K410 VanDerWaalsContact OE2-NZ 3.09Å; K410-R412 PolarHBondContact O-N 2.99Å |
| 411 | L | 73.2 | Confident | 64.6 | Low | 1 Ų | 1 | 48.8 Ų | 48.8 | 1% | 0.005 | 26% | 0.256 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -57.4 | 125.9 | 164.9 | -82.1 | -179 | 0 | 0 | 0 | 107.9 | V358 Q363 N365 T366 I368 H399 F400 I415 L420 | V358-L411 HydrophobicContact CG2-CD1 4.36Å; Q363-L411 VanDerWaalsContact O-CD1 3.31Å; Q363-L411 WeakPolarHBondContact O-CD1 3.46Å; N365-L411 WeakPolarHBondContact CA-O 3.38Å; N365-L411 PolarHBondContact N-O 2.83Å; T366-L411 PolarHBondContact O-N 2.67Å; I368-L411 HydrophobicContact CD1-CB 4.37Å; I368-L411 HydrophobicContact CD1-CD2 3.86Å; I368-L411 HydrophobicContact CD1-CG 3.67Å; I368-L411 HydrophobicContact CG1-CG 4.25Å; H399-L411 CarbonylContact O-C 3.42Å; H399-L411 WeakPolarHBondContact O-CA 3.31Å; F400-L411 HydrophobicContact CD1-CD2 4.18Å; F400-L411 HydrophobicContact CE1-CD2 3.59Å; F400-L411 HydrophobicContact CZ-CD2 4.39Å; L411-I415 HydrophobicContact CD1-CG2 4.45Å; L411-I415 HydrophobicContact CD2-CB 4.28Å; L411-I415 HydrophobicContact CD2-CG2 4.03Å; L411-L420 HydrophobicContact CD1-CD1 4.26Å; L411-L420 HydrophobicContact CD1-CD2 4.11Å; L411-L420 HydrophobicContact CD2-CD2 4.2Å |
| 412 | R | 65.6 | Low | 63.4 | Low | 102 Ų | 102 | 53.1 Ų | 53.1 | 39% | 0.385 | 28% | 0.276 | S | S | . | . | P | Polyproline II helix | trans | -61.4 | 145.4 | 174 | -167.2 | 178.5 | -60 | 160.3 | 9.8 | 109.2 | L397 G398 H399 F400 E401 K410 G414 | L397-R412 PolarHBondContact O-NH2 3.42Å; G398-R412 WeakPolarHBondContact O-CB 3.45Å; G398-R412 VanDerWaalsContact O-CD 3.26Å; G398-R412 WeakPolarHBondContact O-CD 3.41Å; G398-R412 PolarHBondContact O-NE 2.95Å; G398-R412 PolarHBondContact O-NH1 2.88Å; G398-R412 VanDerWaalsContact O-NH1 3.14Å; H399-R412 PolarHBondContact O-N 3.48Å; F400-R412 PolarHBondContact O-NE 3.44Å; F400-R412 PolarHBondContact O-NH2 3.41Å; E401-R412 WeakPolarHBondContact OE1-CA 3.27Å; K410-R412 PolarHBondContact O-N 2.99Å; R412-G414 PolarHBondContact O-N 2.91Å; R412-G414 VanDerWaalsContact O-N 3.17Å |
| 413 | E | 67.8 | Low | 61.9 | Low | 92 Ų | 92 | 56 Ų | 56 | 43% | 0.43 | 29% | 0.289 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -50.4 | 122.2 | 173.6 | -174.7 | 163.4 | -137.1 | 0 | 0 | 111.7 | N365 T957 | N365-E413 WeakPolarHBondContact ND2-CB 3.45Å; E413-T957 PolarHBondContact OE1-N 2.88Å |
| 414 | G | 53.8 | Low | 60.8 | Low | 58 Ų | 58 | 59.6 Ų | 59.6 | 60% | 0.598 | 31% | 0.308 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 112.1 | 12.8 | 177.1 | 0 | 0 | 0 | 0 | 0 | 117.6 | R412 | R412-G414 PolarHBondContact O-N 2.91Å; R412-G414 VanDerWaalsContact O-N 3.17Å |
| 415 | I | 61.2 | Low | 60 | Low | 20 Ų | 20 | 59.7 Ų | 59.7 | 10% | 0.103 | 31% | 0.309 | C | S | . | . | trans | -107.7 | 107.4 | 175.3 | -53.6 | -50.8 | 0 | 0 | 0 | 109.9 | Q363 G364 H399 L411 D419 L420 | Q363-I415 CarbonylContact C-O 3.49Å; Q363-I415 WeakPolarHBondContact CA-O 3.18Å; G364-I415 WeakPolarHBondContact CA-O 3.31Å; G364-I415 PolarHBondContact N-O 3.31Å; H399-I415 HydrophobicContact CB-CD1 4.31Å; H399-I415 HydrophobicContact CB-CG1 4.14Å; H399-I415 VanDerWaalsContact ND1-CD1 3.27Å; H399-I415 WeakPolarHBondContact ND1-CD1 3.05Å; L411-I415 HydrophobicContact CD1-CG2 4.45Å; L411-I415 HydrophobicContact CD2-CB 4.28Å; L411-I415 HydrophobicContact CD2-CG2 4.03Å; I415-D419 HydrophobicContact CB-CB 4.49Å; I415-D419 HydrophobicContact CG2-CB 3.65Å; I415-L420 HydrophobicContact CG2-CD2 3.97Å; I415-L420 HydrophobicContact CG2-CG 4.46Å | ||
| 416 | G | 55.3 | Low | 60.4 | Low | 6 Ų | 6 | 56.6 Ų | 56.6 | 6% | 0.062 | 29% | 0.292 | C | S | . | . | trans | -92.9 | -177.3 | 179.8 | 0 | 0 | 0 | 0 | 0 | 114.8 | A418 D419 L420 | G416-A418 VanDerWaalsContact C-N 3.29Å; G416-A418 PolarHBondContact O-N 3.13Å; G416-D419 PolarHBondContact N-OD2 2.89Å; G416-D419 WeakPolarHBondContact O-CA 3.32Å; G416-D419 WeakPolarHBondContact O-CB 3.23Å; G416-D419 PolarHBondContact O-N 3.47Å; G416-L420 PolarHBondContact O-N 3.49Å; G416-L420 VanDerWaalsContact O-N 3.15Å | ||
| 417 | P | 52.2 | Low | 59.9 | Low | 1 Ų | 1 | 57.2 Ų | 57.2 | 1% | 0.006 | 29% | 0.29 | C | S | . | . | H | α-helix | trans | -50.3 | -48.7 | 174.3 | -29 | 37.9 | 0 | 0 | 0 | 111.9 | E360 D361 Q363 D419 L420 Q421 Q953 | E360-P417 WeakPolarHBondContact O-CB 3.33Å; D361-P417 VanDerWaalsContact O-CG 3.31Å; D361-P417 WeakPolarHBondContact O-CG 3.48Å; Q363-P417 HydrophobicContact CG-CG 4Å; P417-D419 PolarHBondContact O-N 2.91Å; P417-D419 VanDerWaalsContact O-N 3.16Å; P417-L420 CarbonylContact O-C 3.5Å; P417-L420 WeakPolarHBondContact O-CA 3.28Å; P417-L420 WeakPolarHBondContact O-CB 3.44Å; P417-L420 PolarHBondContact O-N 2.87Å; P417-Q421 VanDerWaalsContact O-CG 3.3Å; P417-Q421 WeakPolarHBondContact O-CG 3.18Å; P417-Q421 PolarHBondContact O-N 2.85Å; P417-Q953 HydrophobicContact CG-CB 4.31Å; P417-Q953 HydrophobicContact CG-CG 4.18Å |
| 418 | A | 45.7 | Very low | 59.8 | Low | 22 Ų | 22 | 57.7 Ų | 57.7 | 18% | 0.182 | 29% | 0.293 | C | S | . | . | H | α-helix | trans | -66.2 | -14.4 | 177.7 | 0 | 0 | 0 | 0 | 0 | 115.1 | G416 | G416-A418 VanDerWaalsContact C-N 3.29Å; G416-A418 PolarHBondContact O-N 3.13Å |
| 419 | D | 54.9 | Low | 59.7 | Low | 69 Ų | 69 | 57.6 Ų | 57.6 | 37% | 0.369 | 30% | 0.297 | S | S | . | . | H | α-helix | trans | -91.4 | -20.5 | 171.5 | -60 | -65.4 | 0 | 0 | 0 | 111.8 | I415 G416 P417 Y426 | I415-D419 HydrophobicContact CB-CB 4.49Å; I415-D419 HydrophobicContact CG2-CB 3.65Å; G416-D419 PolarHBondContact N-OD2 2.89Å; G416-D419 WeakPolarHBondContact O-CA 3.32Å; G416-D419 WeakPolarHBondContact O-CB 3.23Å; G416-D419 PolarHBondContact O-N 3.47Å; P417-D419 PolarHBondContact O-N 2.91Å; P417-D419 VanDerWaalsContact O-N 3.16Å; D419-Y426 PolarHBondContact O-OH 2.83Å |
| 420 | L | 61.4 | Low | 59.9 | Low | 9 Ų | 9 | 57.5 Ų | 57.5 | 5% | 0.047 | 30% | 0.296 | C | S | . | . | H | α-helix | trans | -81.2 | -40.7 | 168.7 | -59.1 | -179.2 | 0 | 0 | 0 | 111.3 | V358 A362 L411 I415 G416 P417 Q422 Q423 | V358-L420 HydrophobicContact CG1-CD1 4.18Å; V358-L420 HydrophobicContact CG1-CD2 4.46Å; V358-L420 HydrophobicContact CG2-CD1 4.1Å; A362-L420 HydrophobicContact CB-CD1 4.34Å; A362-L420 VanDerWaalsContact O-CD1 3.28Å; A362-L420 WeakPolarHBondContact O-CD1 3.22Å; L411-L420 HydrophobicContact CD1-CD1 4.26Å; L411-L420 HydrophobicContact CD1-CD2 4.11Å; L411-L420 HydrophobicContact CD2-CD2 4.2Å; I415-L420 HydrophobicContact CG2-CD2 3.97Å; I415-L420 HydrophobicContact CG2-CG 4.46Å; G416-L420 PolarHBondContact O-N 3.49Å; G416-L420 VanDerWaalsContact O-N 3.15Å; P417-L420 CarbonylContact O-C 3.5Å; P417-L420 WeakPolarHBondContact O-CA 3.28Å; P417-L420 WeakPolarHBondContact O-CB 3.44Å; P417-L420 PolarHBondContact O-N 2.87Å; L420-Q422 PolarHBondContact O-N 3.03Å; L420-Q423 PolarHBondContact O-N 2.85Å; L420-Q423 VanDerWaalsContact O-N 3.17Å |
| 421 | Q | 53.5 | Low | 60.4 | Low | 105 Ų | 105 | 57.8 Ų | 57.8 | 49% | 0.491 | 30% | 0.3 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -58.2 | 0.8 | 177.3 | -72 | 169.8 | 2.5 | 0 | 0 | 115.3 | P417 E950 | P417-Q421 VanDerWaalsContact O-CG 3.3Å; P417-Q421 WeakPolarHBondContact O-CG 3.18Å; P417-Q421 PolarHBondContact O-N 2.85Å; Q421-E950 PolarHBondContact NE2-OE1 2.87Å |
| 422 | Q | 45 | Very low | 60.8 | Low | 159 Ų | 159 | 57.8 Ų | 57.8 | 74% | 0.743 | 30% | 0.299 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -109.7 | -10.8 | 176.7 | -67.3 | -165.3 | 13.5 | 0 | 0 | 115.9 | L420 | L420-Q422 PolarHBondContact O-N 3.03Š|
| 423 | Q | 46.9 | Very low | 61.2 | Low | 95 Ų | 95 | 54.5 Ų | 54.5 | 44% | 0.444 | 29% | 0.291 | S | S | . | . | trans | -144.6 | 126.2 | 178.2 | -71.5 | -153.5 | -85 | 0 | 0 | 113.8 | L420 F425 Y426 | L420-Q423 PolarHBondContact O-N 2.85Å; L420-Q423 VanDerWaalsContact O-N 3.17Å; Q423-F425 VanDerWaalsContact C-N 3.29Å; Q423-F425 PolarHBondContact O-N 2.79Å; Q423-Y426 HydrophobicContact CB-CE2 4.24Å | ||
| 424 | D | 46.7 | Very low | 61.6 | Low | 139 Ų | 139 | 50.5 Ų | 50.5 | 74% | 0.743 | 27% | 0.273 | S | S | * | . | S | Bend | trans | -65.7 | -22.9 | 179.9 | -43.6 | -39 | 0 | 0 | 0 | 114.5 | ||
| 425 | F | 52 | Low | 62.1 | Low | 103 Ų | 103 | 51 Ų | 51 | 45% | 0.452 | 26% | 0.262 | S | S | . | . | trans | -166.1 | 157.5 | 179 | 56.7 | -90 | 0 | 0 | 0 | 114.7 | Q423 R448 I449 | Q423-F425 VanDerWaalsContact C-N 3.29Å; Q423-F425 PolarHBondContact O-N 2.79Å; F425-R448 HydrophobicContact CB-CG 4.37Å; F425-I449 WeakPolarHBondContact CA-O 3.21Å; F425-I449 WeakPolarHBondContact CB-O 3.47Å | ||
| 426 | Y | 65.7 | Low | 62.2 | Low | 14 Ų | 14 | 50.6 Ų | 50.6 | 6% | 0.055 | 26% | 0.263 | C | S | . | . | trans | -125.5 | 175 | 175.6 | -65 | -93.2 | 0 | 0 | 0 | 111.9 | H399 F400 D419 Q423 R448 I449 | H399-Y426 HydrophobicContact CB-CE1 4.35Å; H399-Y426 AromaticContact CD2-CE1 3.73Å; H399-Y426 AromaticContact CG-CE1 3.84Å; F400-Y426 AromaticContact CE2-CD1 3.64Å; F400-Y426 HydrophobicContact CE2-CD1 3.64Å; F400-Y426 HydrophobicContact CE2-CD2 4.33Å; F400-Y426 HydrophobicContact CE2-CE1 4.36Å; F400-Y426 AromaticContact CE2-CG 3.61Å; F400-Y426 HydrophobicContact CE2-CG 3.61Å; F400-Y426 AromaticContact CZ-CD1 3.84Å; F400-Y426 HydrophobicContact CZ-CD1 3.84Å; F400-Y426 AromaticContact CZ-CD2 3.72Å; F400-Y426 HydrophobicContact CZ-CD2 3.72Å; F400-Y426 HydrophobicContact CZ-CE1 4.39Å; F400-Y426 HydrophobicContact CZ-CE2 4.29Å; F400-Y426 AromaticContact CZ-CG 3.46Å; F400-Y426 HydrophobicContact CZ-CG 3.46Å; F400-Y426 VanDerWaalsContact CZ-CG 3.46Å; D419-Y426 PolarHBondContact O-OH 2.83Å; Q423-Y426 HydrophobicContact CB-CE2 4.24Å; Y426-R448 WeakPolarHBondContact O-CA 3.31Å; Y426-I449 HydrophobicContact CD2-CB 4.48Å | ||
| 427 | M | 61.3 | Low | 62.2 | Low | 92 Ų | 92 | 55.9 Ų | 55.9 | 45% | 0.453 | 30% | 0.296 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -146 | 142.3 | -180 | -66.6 | -64.7 | -54.3 | 0 | 0 | 113.8 | T446 V447 R448 | M427-T446 HydrophobicContact CE-CG2 3.82Å; M427-V447 CarbonylContact C-O 3.52Å; M427-V447 VanDerWaalsContact CA-O 3.26Å; M427-V447 WeakPolarHBondContact CA-O 3.26Å; M427-R448 HydrophobicContact SD-CB 3.7Å; M427-R448 HydrophobicContact SD-CG 3.74Å |
| 428 | L | 73.3 | Confident | 62.2 | Low | 10 Ų | 10 | 58.5 Ų | 58.5 | 5% | 0.052 | 32% | 0.322 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -143.3 | 165.9 | -175.5 | -64.3 | 166.1 | 0 | 0 | 0 | 114.4 | F385 L397 F400 I409 T446 V447 | F385-L428 HydrophobicContact CE1-CB 4.27Å; F385-L428 HydrophobicContact CE1-CD1 4.29Å; F385-L428 HydrophobicContact CE2-CD2 4.34Å; F385-L428 HydrophobicContact CZ-CD1 3.82Å; F385-L428 HydrophobicContact CZ-CD2 4.08Å; F385-L428 HydrophobicContact CZ-CG 4.37Å; L397-L428 HydrophobicContact CD2-CD2 4.06Å; F400-L428 HydrophobicContact CB-CD1 3.9Å; F400-L428 HydrophobicContact CB-CD2 4.09Å; F400-L428 HydrophobicContact CD1-CD1 4.39Å; F400-L428 HydrophobicContact CD2-CD1 4Å; F400-L428 HydrophobicContact CD2-CD2 3.82Å; F400-L428 HydrophobicContact CD2-CG 4.17Å; F400-L428 HydrophobicContact CG-CD1 3.8Å; F400-L428 HydrophobicContact CG-CD2 4.21Å; F400-L428 HydrophobicContact CG-CG 4.44Å; I409-L428 HydrophobicContact CG2-CD1 3.84Å; L428-T446 CarbonylContact O-C 3.51Å; L428-T446 VanDerWaalsContact O-CA 3.25Å; L428-T446 WeakPolarHBondContact O-CA 3.5Å; L428-T446 WeakPolarHBondContact O-CG2 3.01Å; L428-V447 HydrophobicContact CB-CB 4.23Å; L428-V447 PolarHBondContact N-O 3.02Å; L428-V447 PolarHBondContact O-N 2.86Å |
| 429 | T | 73.4 | Confident | 62.3 | Low | 69 Ų | 69 | 65.8 Ų | 65.8 | 42% | 0.423 | 35% | 0.353 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -144.8 | 139.4 | 179.8 | -51.5 | 0 | 0 | 0 | 0 | 113.7 | F385 L386 A445 | F385-T429 WeakPolarHBondContact CD1-O 3.23Å; L386-T429 HydrophobicContact CB-CG2 4.46Å; L386-T429 HydrophobicContact CD1-CG2 4.36Å; L386-T429 PolarHBondContact N-O 3.37Å; L386-T429 VanDerWaalsContact N-O 3.16Å; T429-A445 CarbonylContact C-O 3.57Å; T429-A445 WeakPolarHBondContact CA-O 3.33Å; T429-A445 WeakPolarHBondContact CG2-O 3.27Å |
| 430 | V | 80.4 | Confident | 62.7 | Low | 0 Ų | 0 | 68.9 Ų | 68.9 | 0% | 0 | 37% | 0.365 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.3 | 159.5 | -164.1 | -156.3 | 0 | 0 | 0 | 0 | 113.2 | I371 Y384 F385 I402 I409 T444 A445 V447 | I371-V430 HydrophobicContact CD1-CB 4.37Å; I371-V430 HydrophobicContact CD1-CG1 3.55Å; I371-V430 HydrophobicContact CG1-CG1 4.11Å; I371-V430 HydrophobicContact CG1-CG2 4.4Å; Y384-V430 CarbonylContact O-C 3.51Å; Y384-V430 VanDerWaalsContact O-CA 3.32Å; Y384-V430 WeakPolarHBondContact O-CA 3.47Å; Y384-V430 WeakPolarHBondContact O-CG1 3.4Å; F385-V430 HydrophobicContact CD1-CG2 4.03Å; F385-V430 HydrophobicContact CE1-CG2 4.01Å; I402-V430 HydrophobicContact CD1-CG1 3.46Å; I402-V430 VanDerWaalsContact CD1-CG1 3.46Å; I402-V430 HydrophobicContact CD1-CG2 4.29Å; I409-V430 HydrophobicContact CD1-CG2 4.4Å; V430-T444 CarbonylContact O-C 3.57Å; V430-T444 VanDerWaalsContact O-CA 3.22Å; V430-T444 WeakPolarHBondContact O-CA 3.17Å; V430-T444 VanDerWaalsContact O-CB 3.24Å; V430-T444 WeakPolarHBondContact O-CB 3Å; V430-A445 PolarHBondContact N-O 2.7Å; V430-A445 PolarHBondContact O-N 3.32Å; V430-V447 HydrophobicContact CG2-CG2 4.36Å |
| 431 | L | 79.6 | Confident | 63.2 | Low | 48 Ų | 48 | 72.3 Ų | 72.3 | 25% | 0.251 | 38% | 0.381 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.6 | 147.3 | -179.5 | 174.9 | 78.2 | 0 | 0 | 0 | 110.2 | Y383 Y384 L386 S443 T444 | Y383-L431 CarbonylContact C-O 3.58Å; Y383-L431 VanDerWaalsContact CA-O 3.3Å; Y383-L431 WeakPolarHBondContact CA-O 3.34Å; Y384-L431 HydrophobicContact CD2-CD2 4.25Å; Y384-L431 PolarHBondContact N-O 3.27Å; Y384-L431 PolarHBondContact O-N 3.11Å; L386-L431 HydrophobicContact CD1-CB 4.46Å; L386-L431 HydrophobicContact CG-CB 4.5Å; L431-S443 CarbonylContact C-O 3.26Å; L431-S443 WeakPolarHBondContact CA-O 3.07Å; L431-S443 WeakPolarHBondContact CD1-O 3.4Å; L431-T444 HydrophobicContact CB-CG2 4.31Å; L431-T444 HydrophobicContact CD1-CG2 3.66Å |
| 432 | A | 81.3 | Confident | 64.2 | Low | 0 Ų | 0 | 72.1 Ų | 72.1 | 0% | 0 | 39% | 0.386 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.7 | 154.3 | 172.5 | 0 | 0 | 0 | 0 | 0 | 113.8 | F348 A373 V381 N382 Y383 V442 S443 | F348-A432 HydrophobicContact CE1-CB 4.12Å; F348-A432 HydrophobicContact CE2-CB 3.57Å; F348-A432 HydrophobicContact CZ-CB 3.35Å; A373-A432 HydrophobicContact CB-CB 4.2Å; V381-A432 HydrophobicContact CG1-CB 3.89Å; N382-A432 CarbonylContact O-C 3.46Å; N382-A432 WeakPolarHBondContact O-CA 3.39Å; Y383-A432 HydrophobicContact CD1-CB 3.94Å; Y383-A432 HydrophobicContact CE1-CB 4.09Å; A432-V442 CarbonylContact O-C 3.55Å; A432-V442 VanDerWaalsContact O-CA 3.25Å; A432-V442 WeakPolarHBondContact O-CA 3.47Å; A432-V442 WeakPolarHBondContact O-CB 3.34Å; A432-S443 PolarHBondContact N-O 2.92Å; A432-S443 PolarHBondContact O-N 3.47Å |
| 433 | T | 73.9 | Confident | 65.8 | Low | 34 Ų | 34 | 66.3 Ų | 66.3 | 21% | 0.209 | 36% | 0.364 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -149.6 | 139.8 | -179.4 | 71.3 | 0 | 0 | 0 | 0 | 113.4 | V381 N382 H441 V442 | V381-T433 CarbonylContact C-O 3.47Å; V381-T433 VanDerWaalsContact CA-O 3.28Å; V381-T433 WeakPolarHBondContact CA-O 3.31Å; N382-T433 PolarHBondContact N-O 3.33Å; N382-T433 PolarHBondContact O-N 2.84Å; T433-H441 WeakPolarHBondContact CA-O 3.35Å; T433-V442 HydrophobicContact CG2-CB 4.19Å; T433-V442 HydrophobicContact CG2-CG1 3.61Å |
| 434 | D | 75.2 | Confident | 67.2 | Low | 8 Ų | 8 | 65.2 Ų | 65.2 | 4% | 0.043 | 36% | 0.363 | C | S | . | . | trans | -80.7 | -170.2 | 176.3 | 63.1 | 48.8 | 0 | 0 | 0 | 114.8 | P346 Q380 Q440 H441 | P346-D434 WeakPolarHBondContact CD-OD2 3.3Å; P346-D434 HydrophobicContact CG-CB 3.98Å; Q380-D434 CarbonylContact O-C 3.58Å; Q380-D434 WeakPolarHBondContact O-CA 3.48Å; D434-Q440 VanDerWaalsContact OD1-CA 3.25Å; D434-Q440 WeakPolarHBondContact OD1-CA 3.34Å; D434-Q440 VanDerWaalsContact OD1-CB 3.27Å; D434-Q440 WeakPolarHBondContact OD1-CB 3.15Å; D434-Q440 WeakPolarHBondContact OD1-CG 3.36Å; D434-H441 VanDerWaalsContact CG-N 3.34Å; D434-H441 PolarHBondContact N-O 3.24Å; D434-H441 PolarHBondContact OD1-N 2.76Å; D434-H441 WeakPolarHBondContact OD2-CA 3.4Å; D434-H441 WeakPolarHBondContact OD2-CB 3.02Å; D434-H441 IonicContact OD2-CG 3.12Å; D434-H441 PolarHBondContact OD2-N 3.02Å; D434-H441 IonicContact OD2-ND1 3.48Å | ||
| 435 | N | 66.3 | Low | 68.6 | Low | 68 Ų | 68 | 58.8 Ų | 58.8 | 36% | 0.364 | 33% | 0.329 | S | S | . | . | trans | -142.3 | 17.1 | 176.3 | 82.7 | -19.4 | 0 | 0 | 0 | 117.5 | Q380 | Q380-N435 PolarHBondContact N-OD1 2.04Å; Q380-N435 PolarHBondContact O-N 3.01Å | ||
| 436 | G | 63.3 | Low | 69.6 | Low | 12 Ų | 12 | 56 Ų | 56 | 12% | 0.124 | 32% | 0.321 | C | S | . | . | trans | -62.8 | 167.7 | -167.1 | 0 | 0 | 0 | 0 | 0 | 118.6 | D379 G438 | D379-G436 WeakPolarHBondContact OD1-CA 3.49Å; D379-G436 WeakPolarHBondContact OD2-CA 3.41Å; G436-G438 PolarHBondContact O-N 2.82Å | ||
| 437 | P | 54.8 | Low | 70.1 | Confident | 117 Ų | 117 | 55.4 Ų | 55.4 | 76% | 0.76 | 32% | 0.319 | S | S | * | . | S | Bend | trans | -76 | 40.2 | -179.6 | 34.2 | -36.8 | 0 | 0 | 0 | 114.2 | ||
| 438 | G | 52.5 | Low | 70.4 | Confident | 55 Ų | 55 | 55.1 Ų | 55.1 | 57% | 0.567 | 31% | 0.313 | S | S | * | . | S | Bend | trans | -144.7 | -137.8 | -172.7 | 0 | 0 | 0 | 0 | 0 | 114.4 | G436 | G436-G438 PolarHBondContact O-N 2.82Š|
| 439 | E | 47.9 | Very low | 70.4 | Confident | 176 Ų | 176 | 55 Ų | 55 | 82% | 0.822 | 31% | 0.312 | S | S | * | . | S | Bend | trans | -91.5 | 147.7 | 159 | -63.4 | -164.6 | 154.6 | 0 | 0 | 108.3 | ||
| 440 | Q | 62 | Low | 69.4 | Low | 133 Ų | 133 | 52 Ų | 52 | 62% | 0.621 | 30% | 0.295 | S | S | * | . | trans | -101.1 | 141.2 | -170.8 | -67.6 | 177.9 | -31.1 | 0 | 0 | 112.6 | D434 | D434-Q440 VanDerWaalsContact OD1-CA 3.25Å; D434-Q440 WeakPolarHBondContact OD1-CA 3.34Å; D434-Q440 VanDerWaalsContact OD1-CB 3.27Å; D434-Q440 WeakPolarHBondContact OD1-CB 3.15Å; D434-Q440 WeakPolarHBondContact OD1-CG 3.36Å | ||
| 441 | H | 71.7 | Confident | 67.8 | Low | 82 Ų | 82 | 55 Ų | 55 | 38% | 0.38 | 31% | 0.313 | S | S | . | . | trans | -114.7 | 162.5 | -174.9 | -45.6 | 119.7 | 0 | 0 | 0 | 113 | E344 A345 T433 D434 | E344-H441 PolarHBondContact O-CE1 3.18Å; E344-H441 PolarHBondContact O-ND1 3.43Å; A345-H441 HydrophobicContact CB-CB 3.63Å; T433-H441 WeakPolarHBondContact CA-O 3.35Å; D434-H441 VanDerWaalsContact CG-N 3.34Å; D434-H441 PolarHBondContact N-O 3.24Å; D434-H441 PolarHBondContact OD1-N 2.76Å; D434-H441 WeakPolarHBondContact OD2-CA 3.4Å; D434-H441 WeakPolarHBondContact OD2-CB 3.02Å; D434-H441 IonicContact OD2-CG 3.12Å; D434-H441 PolarHBondContact OD2-N 3.02Å; D434-H441 IonicContact OD2-ND1 3.48Å | ||
| 442 | V | 75 | Confident | 65.4 | Low | 100 Ų | 100 | 54.6 Ų | 54.6 | 61% | 0.606 | 31% | 0.309 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -149.8 | 152.7 | -165.9 | -52.1 | 0 | 0 | 0 | 0 | 114.5 | A432 T433 | A432-V442 CarbonylContact O-C 3.55Å; A432-V442 VanDerWaalsContact O-CA 3.25Å; A432-V442 WeakPolarHBondContact O-CA 3.47Å; A432-V442 WeakPolarHBondContact O-CB 3.34Å; T433-V442 HydrophobicContact CG2-CB 4.19Å; T433-V442 HydrophobicContact CG2-CG1 3.61Å |
| 443 | S | 77.7 | Confident | 62.9 | Low | 38 Ų | 38 | 57.7 Ų | 57.7 | 27% | 0.266 | 33% | 0.326 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -147.9 | 171.8 | -175.5 | -164 | 0 | 0 | 0 | 0 | 114.7 | L431 A432 | L431-S443 CarbonylContact C-O 3.26Å; L431-S443 WeakPolarHBondContact CA-O 3.07Å; L431-S443 WeakPolarHBondContact CD1-O 3.4Å; A432-S443 PolarHBondContact N-O 2.92Å; A432-S443 PolarHBondContact O-N 3.47Å |
| 444 | T | 76.8 | Confident | 61.5 | Low | 72 Ų | 72 | 59.5 Ų | 59.5 | 44% | 0.442 | 34% | 0.337 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -147 | 155 | -177.9 | 54.9 | 0 | 0 | 0 | 0 | 116.4 | L386 V430 L431 | L386-T444 HydrophobicContact CD1-CG2 4.08Å; V430-T444 CarbonylContact O-C 3.57Å; V430-T444 VanDerWaalsContact O-CA 3.22Å; V430-T444 WeakPolarHBondContact O-CA 3.17Å; V430-T444 VanDerWaalsContact O-CB 3.24Å; V430-T444 WeakPolarHBondContact O-CB 3Å; L431-T444 HydrophobicContact CB-CG2 4.31Å; L431-T444 HydrophobicContact CD1-CG2 3.66Å |
| 445 | A | 76.5 | Confident | 60.1 | Low | 3 Ų | 3 | 62.5 Ų | 62.5 | 3% | 0.025 | 35% | 0.352 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -150.8 | 175.7 | -176.8 | 0 | 0 | 0 | 0 | 0 | 116.4 | F348 S352 Y354 T429 V430 | F348-A445 HydrophobicContact CD1-CB 4.18Å; F348-A445 HydrophobicContact CD2-CB 3.97Å; F348-A445 HydrophobicContact CE1-CB 4.34Å; F348-A445 HydrophobicContact CE2-CB 4.1Å; F348-A445 HydrophobicContact CG-CB 4Å; F348-A445 HydrophobicContact CZ-CB 4.28Å; S352-A445 CarbonylContact O-C 3.5Å; S352-A445 VanDerWaalsContact O-CA 3.25Å; S352-A445 WeakPolarHBondContact O-CA 3.32Å; Y354-A445 HydrophobicContact CE2-CB 4.01Å; T429-A445 CarbonylContact C-O 3.57Å; T429-A445 WeakPolarHBondContact CA-O 3.33Å; T429-A445 WeakPolarHBondContact CG2-O 3.27Å; V430-A445 PolarHBondContact N-O 2.7Å; V430-A445 PolarHBondContact O-N 3.32Å |
| 446 | T | 72.3 | Confident | 59.6 | Low | 44 Ų | 44 | 63.7 Ų | 63.7 | 27% | 0.27 | 36% | 0.359 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -141.5 | 148.9 | -172.7 | -53.2 | 0 | 0 | 0 | 0 | 113.9 | S352 M353 Y354 M427 L428 | S352-T446 PolarHBondContact O-N 2.95Å; M353-T446 CarbonylContact C-O 3.47Å; M353-T446 VanDerWaalsContact CA-O 3.29Å; M353-T446 WeakPolarHBondContact CA-O 3.18Å; Y354-T446 PolarHBondContact N-O 3.34Å; M427-T446 HydrophobicContact CE-CG2 3.82Å; L428-T446 CarbonylContact O-C 3.51Å; L428-T446 VanDerWaalsContact O-CA 3.25Å; L428-T446 WeakPolarHBondContact O-CA 3.5Å; L428-T446 WeakPolarHBondContact O-CG2 3.01Å |
| 447 | V | 77.1 | Confident | 59.3 | Low | 3 Ų | 3 | 67 Ų | 67 | 2% | 0.018 | 37% | 0.374 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -141 | 156.7 | -171.5 | -169.5 | 0 | 0 | 0 | 0 | 115.1 | Y354 A369 I371 I409 M427 L428 V430 | Y354-V447 HydrophobicContact CD2-CG2 4.07Å; Y354-V447 HydrophobicContact CG-CG2 4.45Å; Y354-V447 CarbonylContact O-C 3.54Å; Y354-V447 WeakPolarHBondContact O-CA 3.05Å; A369-V447 HydrophobicContact CB-CG1 4.17Å; I371-V447 HydrophobicContact CG2-CG2 4.02Å; I409-V447 HydrophobicContact CD1-CB 4.32Å; I409-V447 HydrophobicContact CD1-CG1 4.34Å; I409-V447 HydrophobicContact CD1-CG2 3.69Å; M427-V447 CarbonylContact C-O 3.52Å; M427-V447 VanDerWaalsContact CA-O 3.26Å; M427-V447 WeakPolarHBondContact CA-O 3.26Å; L428-V447 HydrophobicContact CB-CB 4.23Å; L428-V447 PolarHBondContact N-O 3.02Å; L428-V447 PolarHBondContact O-N 2.86Å; V430-V447 HydrophobicContact CG2-CG2 4.36Å |
| 448 | R | 68.5 | Low | 59.5 | Low | 86 Ų | 86 | 67.3 Ų | 67.3 | 33% | 0.325 | 36% | 0.363 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -148.9 | 167.1 | -174.8 | -176.7 | 178 | 173.9 | -124.8 | -9.2 | 115 | Y354 T355 E356 F425 Y426 M427 | Y354-R448 PolarHBondContact O-N 3.34Å; T355-R448 CarbonylContact C-O 3.41Å; T355-R448 WeakPolarHBondContact CA-O 3.39Å; T355-R448 HydrophobicContact CG2-CB 4.06Å; T355-R448 HydrophobicContact CG2-CG 4.05Å; E356-R448 PolarHBondContact N-O 3.46Å; F425-R448 HydrophobicContact CB-CG 4.37Å; Y426-R448 WeakPolarHBondContact O-CA 3.31Å; M427-R448 HydrophobicContact SD-CB 3.7Å; M427-R448 HydrophobicContact SD-CG 3.74Å |
| 449 | I | 71.6 | Confident | 60.4 | Low | 8 Ų | 8 | 64.8 Ų | 64.8 | 4% | 0.041 | 34% | 0.337 | C | S | . | . | trans | -145.1 | 163 | -163.3 | -57.1 | -178.5 | 0 | 0 | 0 | 116.3 | E356 V358 I368 F400 F425 Y426 | E356-I449 CarbonylContact O-C 3.49Å; E356-I449 WeakPolarHBondContact O-CA 3.07Å; V358-I449 HydrophobicContact CG1-CG2 3.65Å; I368-I449 HydrophobicContact CD1-CD1 3.66Å; I368-I449 HydrophobicContact CG2-CD1 4.03Å; I368-I449 HydrophobicContact CG2-CG1 4.05Å; I368-I449 HydrophobicContact CG2-CG2 4.48Å; F400-I449 HydrophobicContact CD1-CD1 3.94Å; F400-I449 HydrophobicContact CE1-CD1 3.12Å; F400-I449 HydrophobicContact CE2-CD1 4.28Å; F400-I449 HydrophobicContact CZ-CD1 3.36Å; F425-I449 WeakPolarHBondContact CA-O 3.21Å; F425-I449 WeakPolarHBondContact CB-O 3.47Å; Y426-I449 HydrophobicContact CD2-CB 4.48Å | ||
| 450 | G | 53.6 | Low | 61.5 | Low | 6 Ų | 6 | 59.4 Ų | 59.4 | 6% | 0.062 | 32% | 0.316 | C | S | . | . | trans | -167.7 | -158.6 | 177.9 | 0 | 0 | 0 | 0 | 0 | 117.8 | E356 Y357 V358 | E356-G450 PolarHBondContact O-N 3.21Å; Y357-G450 CarbonylContact C-O 3.55Å; Y357-G450 WeakPolarHBondContact CA-O 3.03Å; Y357-G450 VanDerWaalsContact CD1-C 3.44Å; V358-G450 VanDerWaalsContact CG1-O 3.31Å; V358-G450 WeakPolarHBondContact CG1-O 3.44Å; V358-G450 PolarHBondContact N-O 2.98Å | ||
| 451 | V | 45.9 | Very low | 62.3 | Low | 63 Ų | 63 | 54.2 Ų | 54.2 | 38% | 0.382 | 29% | 0.291 | S | S | . | . | trans | -153.2 | 0 | -166.9 | -172.4 | 0 | 0 | 0 | 0 | 121.4 | Y357 V358 E360 | Y357-V451 VanDerWaalsContact CD1-N 3.34Å; V358-V451 VanDerWaalsContact O-CA 3.25Å; V358-V451 WeakPolarHBondContact O-CA 3.39Å; E360-V451 VanDerWaalsContact CA-CG1 3.45Å; E360-V451 HydrophobicContact CB-CG1 3.38Å | ||
| 452 | K | 30.5 | Very low | 62.2 | Low | 39 Ų | 39 | 55.8 Ų | 55.8 | 17% | 0.17 | 30% | 0.303 | C | S | . | . | 0 | 0 | 0 | -145.6 | 155.2 | 175.9 | -157.1 | 0 | 121.7 | E360 D2450 A2475 L2476 K2478 | E360-K452 PolarHBondContact N-O 3.49Å; E360-K452 VanDerWaalsContact N-O 3.16Å; K452-D2450 VanDerWaalsContact NZ-CG 3.32Å; K452-D2450 PolarHBondContact NZ-O 3.37Å; K452-D2450 IonicContact NZ-OD2 3.39Å; K452-D2450 PolarHBondContact NZ-OD2 2.97Å; K452-A2475 VanDerWaalsContact CB-O 3.32Å; K452-A2475 WeakPolarHBondContact CB-O 3.25Å; K452-L2476 HydrophobicContact CD-CD2 3.78Å; K452-L2476 VanDerWaalsContact CE-O 3.3Å; K452-L2476 WeakPolarHBondContact CE-O 3.18Å; K452-K2478 HydrophobicContact CG-CD 4.25Å; K452-K2478 HydrophobicContact CG-CG 4.13Å | |||
| 453 | D | 28.5 | Very low | 61.7 | Low | 65 Ų | 65 | 55.5 Ų | 55.5 | 35% | 0.348 | 30% | 0.297 | S | S | . | . | 0 | 177.4 | 0 | 172.5 | 35.9 | 0 | 0 | 0 | 121.1 | A2475 L2476 R2477 K2478 | D453-A2475 CarbonylContact O-C 3.57Å; D453-A2475 VanDerWaalsContact O-C 3.22Å; D453-L2476 CarbonylContact O-C 3.53Å; D453-L2476 WeakPolarHBondContact O-CA 3.27Å; D453-L2476 PolarHBondContact O-N 2.77Å; D453-R2477 PolarHBondContact O-N 3.23Å; D453-K2478 HydrophobicContact CB-CD 4.2Å; D453-K2478 HydrophobicContact CB-CG 3.67Å | |||
| 454 | V | 43.7 | Very low | 61.5 | Low | 72 Ų | 72 | 55.3 Ų | 55.3 | 44% | 0.436 | 30% | 0.296 | S | S | . | . | trans | -149.9 | 160.3 | -158.5 | -160.2 | 0 | 0 | 0 | 0 | 124 | N456 A2474 | V454-N456 VanDerWaalsContact CG1-OD1 3.3Å; V454-N456 WeakPolarHBondContact CG1-OD1 3.22Å; V454-A2474 HydrophobicContact CG1-CB 3.87Å; V454-A2474 WeakPolarHBondContact CG1-O 3.41Å; V454-A2474 WeakPolarHBondContact CG2-O 3.44Å | ||
| 455 | N | 45.5 | Very low | 61 | Low | 70 Ų | 70 | 61 Ų | 61 | 37% | 0.374 | 32% | 0.317 | S | S | . | . | trans | -153 | 131.1 | 159.2 | 161.6 | 119.5 | 0 | 0 | 0 | 113.7 | R2477 | N455-R2477 HydrophobicContact CB-CG 4.26Å; N455-R2477 WeakPolarHBondContact O-CD 3.09Å; N455-R2477 PolarHBondContact O-NH1 2.67Å | ||
| 456 | N | 57.3 | Low | 60.7 | Low | 93 Ų | 93 | 66.9 Ų | 66.9 | 50% | 0.497 | 34% | 0.339 | S | S | . | . | trans | -166.3 | 99.8 | -168.8 | 55.1 | -75.6 | 0 | 0 | 0 | 122.3 | V454 | V454-N456 VanDerWaalsContact CG1-OD1 3.3Å; V454-N456 WeakPolarHBondContact CG1-OD1 3.22Å | ||
| 457 | N | 56 | Low | 61.1 | Low | 83 Ų | 83 | 65.2 Ų | 65.2 | 44% | 0.444 | 33% | 0.328 | S | S | . | . | trans | -151.2 | 174.9 | 159.7 | -65.1 | -74.1 | 0 | 0 | 0 | 112.4 | D510 L571 | N457-D510 HydrophobicContact CB-CB 3.78Å; N457-D510 PolarHBondContact ND2-OD1 3.34Å; N457-L571 WeakPolarHBondContact O-CD1 3.26Å | ||
| 458 | K | 58.1 | Low | 61 | Low | 122 Ų | 122 | 67.8 Ų | 67.8 | 53% | 0.53 | 35% | 0.346 | S | S | . | . | trans | -160.8 | 168.2 | -176 | 73.8 | 171.9 | -174.9 | 179 | 0 | 118.6 | D508 L571 | K458-D508 WeakPolarHBondContact CA-OD2 3.09Å; K458-L571 HydrophobicContact CB-CB 3.8Å; K458-L571 HydrophobicContact CB-CD1 4.22Å; K458-L571 HydrophobicContact CB-CG 4.49Å | ||
| 459 | P | 72.7 | Confident | 61 | Low | 2 Ų | 2 | 67.7 Ų | 67.7 | 1% | 0.013 | 36% | 0.359 | C | S | . | . | trans | -77.3 | 147.6 | 176.3 | -15.2 | 29.7 | 0 | 0 | 0 | 116.4 | T507 D508 I517 D565 L571 | P459-T507 CarbonylContact C-O 3.57Å; P459-T507 VanDerWaalsContact CA-O 3.27Å; P459-T507 WeakPolarHBondContact CA-O 3.33Å; P459-D508 WeakPolarHBondContact CD-OD2 3.41Å; P459-D508 HydrophobicContact CG-CB 4.42Å; P459-D508 WeakPolarHBondContact CG-OD2 3.27Å; P459-I517 HydrophobicContact CB-CD1 4.2Å; P459-I517 HydrophobicContact CB-CG1 4.49Å; P459-D565 HydrophobicContact CG-CB 4.1Å; P459-L571 WeakPolarHBondContact CG-O 3.28Å | ||
| 460 | V | 70 | Confident | 60.9 | Low | 64 Ų | 64 | 71.9 Ų | 71.9 | 39% | 0.388 | 38% | 0.378 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.7 | 132.6 | -177 | -177.5 | 0 | 0 | 0 | 0 | 113.2 | A506 T507 | V460-A506 CarbonylContact O-C 3.49Å; V460-A506 WeakPolarHBondContact O-CA 3.28Å; V460-A506 VanDerWaalsContact O-CB 3.27Å; V460-A506 WeakPolarHBondContact O-CB 3.32Å; V460-T507 PolarHBondContact N-O 3.27Å; V460-T507 PolarHBondContact O-N 2.82Å |
| 461 | F | 79.6 | Confident | 62.1 | Low | 24 Ų | 24 | 71.7 Ų | 71.7 | 11% | 0.105 | 38% | 0.376 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.6 | 128 | 167 | -75 | -84.2 | 0 | 0 | 0 | 110.6 | V504 E505 A506 Y519 V561 A563 F574 C575 | F461-V504 HydrophobicContact CE1-CB 4.29Å; F461-V504 HydrophobicContact CE1-CG2 3.89Å; F461-E505 VanDerWaalsContact CD1-O 3.25Å; F461-E505 WeakPolarHBondContact CD1-O 3.25Å; F461-A506 HydrophobicContact CD1-CB 3.92Å; F461-A506 HydrophobicContact CD2-CB 4.49Å; F461-A506 HydrophobicContact CE1-CB 4.16Å; F461-A506 HydrophobicContact CG-CB 4.09Å; F461-Y519 HydrophobicContact CE1-CD1 4.05Å; F461-Y519 AromaticContact CE1-CE1 3.86Å; F461-Y519 HydrophobicContact CE1-CE1 3.86Å; F461-Y519 HydrophobicContact CZ-CD1 4.09Å; F461-Y519 HydrophobicContact CZ-CE1 4.25Å; F461-V561 HydrophobicContact CZ-CG1 4.11Å; F461-A563 HydrophobicContact CD2-CB 4.31Å; F461-A563 HydrophobicContact CE1-CB 4.27Å; F461-A563 HydrophobicContact CE2-CB 3.49Å; F461-A563 VanDerWaalsContact CE2-CB 3.49Å; F461-A563 HydrophobicContact CZ-CB 3.46Å; F461-A563 VanDerWaalsContact CZ-CB 3.46Å; F461-F574 WeakPolarHBondContact CD2-O 3.41Å; F461-C575 HydrophobicContact CB-CB 4.48Å; F461-C575 HydrophobicContact CD1-CB 4.42Å; F461-C575 HydrophobicContact CD2-CB 4.13Å; F461-C575 HydrophobicContact CE2-CB 4.4Å; F461-C575 HydrophobicContact CG-CB 4.13Å |
| 462 | N | 69.2 | Low | 63.5 | Low | 115 Ų | 115 | 74.4 Ų | 74.4 | 62% | 0.615 | 38% | 0.382 | S | S | * | . | S | Bend | trans | -96.5 | -19.3 | -171.1 | -67.1 | -60.2 | 0 | 0 | 0 | 116 | ||
| 463 | D | 65.5 | Low | 65.9 | Low | 93 Ų | 93 | 72.7 Ų | 72.7 | 50% | 0.497 | 38% | 0.375 | S | S | . | . | trans | -122.6 | 15 | -162.3 | -108.4 | 10.1 | 0 | 0 | 0 | 114.5 | E465 R466 | D463-E465 PolarHBondContact O-N 2.88Å; D463-R466 PolarHBondContact O-N 3.06Å | ||
| 464 | C | 72.4 | Confident | 67.9 | Low | 34 Ų | 34 | 71.3 Ų | 71.3 | 23% | 0.23 | 37% | 0.37 | C | S | . | . | G | 310 helix | trans | -56.8 | -47.1 | -159.2 | -172.1 | 0 | 0 | 0 | 0 | 116.6 | R466 Y467 C575 Q576 | C464-R466 PolarHBondContact O-N 3.24Å; C464-Y467 VanDerWaalsContact O-CD2 3.3Å; C464-Y467 WeakPolarHBondContact O-CD2 3.49Å; C464-Y467 PolarHBondContact O-N 2.97Å; C464-C575 VanDerWaalsContact CA-SG 3.51Å; C464-C575 HydrophobicContact CB-CB 3.94Å; C464-C575 WeakPolarHBondContact CB-SG 3.43Å; C464-C575 WeakPolarHBondContact SG-CA 3.42Å; C464-C575 WeakPolarHBondContact SG-CB 3.38Å; C464-C575 CovalentContact SG-SG 2.04Å; C464-C575 PolarHBondContact SG-SG 3.19Å; C464-Q576 PolarHBondContact SG-N 2.88Å |
| 465 | E | 66.4 | Low | 69.3 | Low | 191 Ų | 191 | 69.2 Ų | 69.2 | 89% | 0.893 | 36% | 0.355 | S | S | * | . | G | 310 helix | trans | -55.1 | -27 | -173.9 | -66 | -174.1 | 158.8 | 0 | 0 | 114.3 | D463 Y467 | D463-E465 PolarHBondContact O-N 2.88Å; E465-Y467 PolarHBondContact O-N 2.78Å |
| 466 | R | 70.8 | Confident | 70.4 | Confident | 127 Ų | 127 | 67.1 Ų | 67.1 | 48% | 0.479 | 35% | 0.35 | S | S | . | . | G | 310 helix | trans | -64.1 | -30.4 | -174.6 | 179.4 | 173.5 | 159.6 | -133.7 | -22.3 | 112.6 | D463 C464 S468 S469 E470 | D463-R466 PolarHBondContact O-N 3.06Å; C464-R466 PolarHBondContact O-N 3.24Å; R466-S468 PolarHBondContact O-N 3.23Å; R466-S469 PolarHBondContact O-N 2.96Å; R466-S469 PolarHBondContact O-OG 3.42Å; R466-E470 IonicContact CZ-OE1 2.63Å; R466-E470 VanDerWaalsContact CZ-OE1 3.25Å; R466-E470 IonicContact CZ-OE2 3.55Å; R466-E470 IonicContact NE-OE1 3.44Å; R466-E470 PolarHBondContact NE-OE1 2.94Å; R466-E470 IonicContact NE-OE2 3.37Å; R466-E470 VanDerWaalsContact NH2-CD 3.29Å; R466-E470 IonicContact NH2-OE1 3.49Å; R466-E470 PolarHBondContact NH2-OE1 3.26Å; R466-E470 IonicContact NH2-OE2 2.75Å; R466-E470 PolarHBondContact NH2-OE2 2.83Å |
| 467 | Y | 80.2 | Confident | 70.8 | Confident | 9 Ų | 9 | 67 Ų | 67 | 4% | 0.035 | 35% | 0.345 | C | S | . | . | G | 310 helix | trans | -69.3 | -38.2 | -160.2 | -61.2 | -27 | 0 | 0 | 0 | 114.6 | C464 E465 S469 E470 A471 L502 V504 C575 F577 | C464-Y467 VanDerWaalsContact O-CD2 3.3Å; C464-Y467 WeakPolarHBondContact O-CD2 3.49Å; C464-Y467 PolarHBondContact O-N 2.97Å; E465-Y467 PolarHBondContact O-N 2.78Å; Y467-S469 PolarHBondContact O-N 3.44Å; Y467-E470 PolarHBondContact O-N 2.7Å; Y467-E470 VanDerWaalsContact O-N 3.1Å; Y467-A471 PolarHBondContact O-N 3.06Å; Y467-L502 HydrophobicContact CD1-CD1 3.49Å; Y467-L502 VanDerWaalsContact CD1-CD1 3.49Å; Y467-L502 HydrophobicContact CD1-CD2 4.16Å; Y467-L502 HydrophobicContact CD1-CG 4.35Å; Y467-L502 HydrophobicContact CD2-CD2 4.14Å; Y467-L502 HydrophobicContact CE1-CD1 4.06Å; Y467-L502 HydrophobicContact CG-CD1 3.94Å; Y467-L502 HydrophobicContact CG-CD2 3.72Å; Y467-L502 HydrophobicContact CG-CG 4.39Å; Y467-V504 HydrophobicContact CD2-CG1 3.81Å; Y467-V504 HydrophobicContact CE1-CG1 4.34Å; Y467-V504 HydrophobicContact CE2-CB 3.89Å; Y467-V504 HydrophobicContact CE2-CG1 3.35Å; Y467-V504 HydrophobicContact CG-CG1 4.48Å; Y467-C575 VanDerWaalsContact CD2-SG 3.57Å; Y467-F577 AromaticContact CD2-CD1 3.81Å; Y467-F577 HydrophobicContact CD2-CD1 3.81Å; Y467-F577 HydrophobicContact CD2-CE1 4.08Å; Y467-F577 HydrophobicContact CG-CD1 4.23Å |
| 468 | S | 74.8 | Confident | 71 | Confident | 57 Ų | 57 | 64.9 Ų | 64.9 | 40% | 0.399 | 33% | 0.333 | S | S | . | . | G | 310 helix | trans | -60.1 | -19.4 | 177.6 | -56.5 | 0 | 0 | 0 | 0 | 113.9 | R466 F577 T578 | R466-S468 PolarHBondContact O-N 3.23Å; S468-F577 WeakPolarHBondContact OG-CA 2.99Å; S468-F577 WeakPolarHBondContact OG-CB 3.47Å; S468-T578 PolarHBondContact OG-N 2.74Å; S468-T578 VanDerWaalsContact OG-N 3.17Å |
| 469 | S | 68.6 | Low | 70.7 | Confident | 85 Ų | 85 | 65 Ų | 65 | 59% | 0.594 | 34% | 0.335 | S | S | * | . | G | 310 helix | trans | -85.7 | -19.1 | -179.4 | 74.8 | 0 | 0 | 0 | 0 | 113.9 | R466 Y467 | R466-S469 PolarHBondContact O-N 2.96Å; R466-S469 PolarHBondContact O-OG 3.42Å; Y467-S469 PolarHBondContact O-N 3.44Å |
| 470 | E | 69 | Low | 69.1 | Low | 96 Ų | 96 | 68.5 Ų | 68.5 | 45% | 0.449 | 35% | 0.354 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -103.2 | -29.2 | -172.6 | -62.5 | -171.2 | -179.1 | 0 | 0 | 113.1 | R466 Y467 | R466-E470 IonicContact CZ-OE1 2.63Å; R466-E470 VanDerWaalsContact CZ-OE1 3.25Å; R466-E470 IonicContact CZ-OE2 3.55Å; R466-E470 IonicContact NE-OE1 3.44Å; R466-E470 PolarHBondContact NE-OE1 2.94Å; R466-E470 IonicContact NE-OE2 3.37Å; R466-E470 VanDerWaalsContact NH2-CD 3.29Å; R466-E470 IonicContact NH2-OE1 3.49Å; R466-E470 PolarHBondContact NH2-OE1 3.26Å; R466-E470 IonicContact NH2-OE2 2.75Å; R466-E470 PolarHBondContact NH2-OE2 2.83Å; Y467-E470 PolarHBondContact O-N 2.7Å; Y467-E470 VanDerWaalsContact O-N 3.1Å |
| 471 | A | 78.7 | Confident | 67.5 | Low | 1 Ų | 1 | 73.3 Ų | 73.3 | 1% | 0.008 | 37% | 0.366 | C | S | . | . | trans | -83.9 | 122.1 | -171.2 | 0 | 0 | 0 | 0 | 0 | 114.5 | Y467 V579 | Y467-A471 PolarHBondContact O-N 3.06Å; A471-V579 HydrophobicContact CB-CB 4.37Å; A471-V579 HydrophobicContact CB-CG1 4.13Å; A471-V579 HydrophobicContact CB-CG2 3.83Å | ||
| 472 | K | 75 | Confident | 65.2 | Low | 120 Ų | 120 | 78.3 Ų | 78.3 | 52% | 0.522 | 40% | 0.398 | S | S | . | . | B | Isolated β-bridge | trans | -148.4 | 150.5 | 175.6 | -58.5 | -172.6 | -178.4 | -174.4 | 0 | 111.8 | T580 | K472-T580 WeakPolarHBondContact CA-O 3.38Å |
| 473 | V | 80.9 | Confident | 63.4 | Low | 3 Ų | 3 | 79.7 Ų | 79.7 | 2% | 0.018 | 40% | 0.404 | C | S | . | . | trans | -135.7 | 140.5 | -179.5 | 69.4 | 0 | 0 | 0 | 0 | 110.9 | A543 F549 V579 T580 V581 L582 | V473-A543 HydrophobicContact CG2-CB 4.31Å; V473-F549 HydrophobicContact CG1-CD1 3.63Å; V473-F549 HydrophobicContact CG1-CE1 3.78Å; V473-F549 HydrophobicContact CG1-CG 4.05Å; V473-F549 HydrophobicContact CG1-CZ 4.34Å; V473-F549 HydrophobicContact CG2-CD1 4.47Å; V473-F549 HydrophobicContact CG2-CD2 4.01Å; V473-F549 HydrophobicContact CG2-CE1 4.46Å; V473-F549 HydrophobicContact CG2-CE2 4.01Å; V473-F549 HydrophobicContact CG2-CG 4.24Å; V473-F549 HydrophobicContact CG2-CZ 4.22Å; V473-V579 HydrophobicContact CG1-CG1 4.33Å; V473-T580 PolarHBondContact N-O 2.78Å; V473-V581 HydrophobicContact CG1-CG2 3.98Å; V473-V581 WeakPolarHBondContact O-CA 3.29Å; V473-L582 PolarHBondContact O-N 3.09Å | ||
| 474 | P | 70.5 | Confident | 61.6 | Low | 37 Ų | 37 | 81.7 Ų | 81.7 | 24% | 0.24 | 41% | 0.414 | C | S | . | . | trans | -68.1 | 165.9 | 167.3 | -19.1 | 32.4 | 0 | 0 | 0 | 113.1 | H478 Y499 | P474-H478 PolarHBondContact O-CE1 3.08Å; P474-Y499 HydrophobicContact CG-CE1 4.44Å | ||
| 475 | E | 73.1 | Confident | 59.5 | Low | 27 Ų | 27 | 86.5 Ų | 86.5 | 13% | 0.126 | 44% | 0.442 | C | S | . | . | S | Bend | trans | -66.3 | 165.7 | 161.7 | -92 | 144.2 | -126.6 | 0 | 0 | 113.5 | F549 R551 V581 L582 D583 E584 | E475-F549 CarbonylContact C-O 3.38Å; E475-F549 VanDerWaalsContact CA-O 3.25Å; E475-F549 WeakPolarHBondContact CA-O 3.36Å; E475-F549 WeakPolarHBondContact CB-O 3.33Å; E475-F549 VanDerWaalsContact CG-O 3.3Å; E475-F549 WeakPolarHBondContact CG-O 3.24Å; E475-R551 HydrophobicContact CG-CB 4.15Å; E475-R551 WeakPolarHBondContact OE1-CB 3.46Å; E475-R551 WeakPolarHBondContact OE1-CD 3.42Å; E475-V581 HydrophobicContact CG-CG1 3.83Å; E475-L582 VanDerWaalsContact CD-C 3.43Å; E475-L582 PolarHBondContact N-O 3.49Å; E475-D583 WeakPolarHBondContact OE1-CA 3.37Å; E475-D583 PolarHBondContact OE1-N 3.3Å; E475-D583 WeakPolarHBondContact OE2-CA 3.18Å; E475-E584 HydrophobicContact CB-CG 4.23Å; E475-E584 PolarHBondContact OE2-N 2.7Å |
| 476 | G | 69.4 | Low | 57.6 | Low | 26 Ų | 26 | 83.8 Ų | 83.8 | 27% | 0.268 | 44% | 0.439 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | 87.5 | 168.4 | 177.3 | 0 | 0 | 0 | 0 | 0 | 115 | H478 F549 | G476-H478 PolarHBondContact O-N 3.45Å; G476-H478 PolarHBondContact O-ND1 3.19Å; G476-F549 PolarHBondContact N-O 3.36Å; G476-F549 PolarHBondContact O-N 2.96Å |
| 477 | K | 65.9 | Low | 55.5 | Low | 92 Ų | 92 | 81.8 Ų | 81.8 | 40% | 0.4 | 45% | 0.449 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -75.2 | 121 | -178.1 | -154.5 | 175.5 | 177.7 | -159.6 | 0 | 113.4 | E479 E548 | K477-E479 HydrophobicContact CB-CG 4.37Å; K477-E479 HydrophobicContact CD-CG 3.91Å; K477-E479 WeakPolarHBondContact CD-OE1 3.45Å; K477-E479 VanDerWaalsContact CE-OE1 3.27Å; K477-E479 WeakPolarHBondContact CE-OE1 3.35Å; K477-E479 HydrophobicContact CG-CG 3.89Å; K477-E479 IonicContact NZ-OE1 2.7Å; K477-E479 PolarHBondContact NZ-OE1 2.85Å; K477-E479 PolarHBondContact O-N 2.99Å; K477-E548 HydrophobicContact CB-CB 4.28Å; K477-E548 HydrophobicContact CB-CG 4.21Å; K477-E548 WeakPolarHBondContact CB-OE1 3.43Å; K477-E548 HydrophobicContact CG-CB 4.4Å; K477-E548 PolarHBondContact N-OE1 2.98Å; K477-E548 VanDerWaalsContact N-OE1 3.1Å |
| 478 | H | 61.1 | Low | 53 | Low | 38 Ų | 38 | 90 Ų | 90 | 18% | 0.176 | 49% | 0.488 | C | S | . | . | trans | -84.2 | 54.5 | -176.4 | -76.9 | 62.5 | 0 | 0 | 0 | 112.8 | P474 G476 A543 P545 F549 | P474-H478 PolarHBondContact O-CE1 3.08Å; G476-H478 PolarHBondContact O-N 3.45Å; G476-H478 PolarHBondContact O-ND1 3.19Å; H478-A543 HydrophobicContact CB-CB 4.27Å; H478-P545 WeakPolarHBondContact O-CA 3.36Å; H478-P545 WeakPolarHBondContact O-CB 3.37Å; H478-F549 AromaticContact ND1-CD2 3.96Å | ||
| 479 | E | 50.9 | Low | 50.8 | Low | 124 Ų | 124 | 94.6 Ų | 94.6 | 58% | 0.579 | 51% | 0.507 | S | S | * | . | trans | -63 | 136.4 | -178.1 | -63.2 | -161.9 | 160.5 | 0 | 0 | 112.6 | K477 | K477-E479 HydrophobicContact CB-CG 4.37Å; K477-E479 HydrophobicContact CD-CG 3.91Å; K477-E479 WeakPolarHBondContact CD-OE1 3.45Å; K477-E479 VanDerWaalsContact CE-OE1 3.27Å; K477-E479 WeakPolarHBondContact CE-OE1 3.35Å; K477-E479 HydrophobicContact CG-CG 3.89Å; K477-E479 IonicContact NZ-OE1 2.7Å; K477-E479 PolarHBondContact NZ-OE1 2.85Å; K477-E479 PolarHBondContact O-N 2.99Å | ||
| 480 | N | 40 | Very low | 48.9 | Very low | 76 Ų | 76 | 96.1 Ų | 96.1 | 41% | 0.406 | 51% | 0.513 | S | S | . | . | S | Bend | trans | -63.5 | 142.7 | 179.2 | -76.4 | -54.2 | 0 | 0 | 0 | 112.1 | F498 | N480-F498 VanDerWaalsContact OD1-CD1 3.27Å; N480-F498 WeakPolarHBondContact OD1-CD1 3.44Å; N480-F498 VanDerWaalsContact OD1-CE1 3.25Å; N480-F498 WeakPolarHBondContact OD1-CE1 3.48Å |
| 481 | Y | 35.8 | Very low | 47.2 | Very low | 165 Ų | 165 | 100.2 Ų | 100.2 | 65% | 0.647 | 54% | 0.537 | S | S | * | . | trans | 85.5 | 71.6 | 171.2 | -49.4 | -70.6 | 0 | 0 | 0 | 119.3 | I483 V496 | Y481-I483 PolarHBondContact O-N 2.94Å; Y481-V496 HydrophobicContact CD1-CG1 4.11Å; Y481-V496 HydrophobicContact CD1-CG2 4.28Å; Y481-V496 HydrophobicContact CE1-CG1 4.08Å; Y481-V496 HydrophobicContact CE1-CG2 3.95Å | ||
| 482 | V | 31.9 | Very low | 44.9 | Very low | 128 Ų | 128 | 108.2 Ų | 108.2 | 78% | 0.776 | 58% | 0.579 | S | S | * | * | trans | -83.2 | 100.7 | 148.1 | -177.5 | 0 | 0 | 0 | 0 | 109.7 | L484 | V482-L484 HydrophobicContact CG1-CG 4.35Å; V482-L484 PolarHBondContact O-N 2.99Å; V482-L484 VanDerWaalsContact O-N 3.09Å | ||
| 483 | I | 30.1 | Very low | 42.7 | Very low | 144 Ų | 144 | 108.5 Ų | 108.5 | 74% | 0.738 | 59% | 0.59 | S | S | * | * | trans | -80.3 | 90.4 | 179.8 | -56.1 | 178.9 | 0 | 0 | 0 | 110.2 | Y481 T485 | Y481-I483 PolarHBondContact O-N 2.94Å; I483-T485 PolarHBondContact O-N 2.88Å; I483-T485 VanDerWaalsContact O-N 3.13Å | ||
| 484 | L | 28.8 | Very low | 40.1 | Very low | 135 Ų | 135 | 111.8 Ų | 111.8 | 71% | 0.707 | 63% | 0.625 | S | S | * | * | trans | -69.2 | 104 | 179.1 | -80 | 167.9 | 0 | 0 | 0 | 112.8 | V482 V486 | V482-L484 HydrophobicContact CG1-CG 4.35Å; V482-L484 PolarHBondContact O-N 2.99Å; V482-L484 VanDerWaalsContact O-N 3.09Å; L484-V486 PolarHBondContact O-N 3.24Å; L484-V486 VanDerWaalsContact O-N 3.17Å | ||
| 485 | T | 26.9 | Very low | 38.2 | Very low | 135 Ų | 135 | 116.1 Ų | 116.1 | 83% | 0.828 | 65% | 0.651 | S | S | * | * | trans | -77.5 | 95.6 | 172.2 | 57.2 | 0 | 0 | 0 | 0 | 111.6 | I483 | I483-T485 PolarHBondContact O-N 2.88Å; I483-T485 VanDerWaalsContact O-N 3.13Å | ||
| 486 | V | 27.6 | Very low | 36.3 | Very low | 134 Ų | 134 | 118.1 Ų | 118.1 | 81% | 0.812 | 66% | 0.664 | S | S | * | * | trans | -81.7 | 133.1 | 169 | -174.5 | 0 | 0 | 0 | 0 | 109.9 | L484 | L484-V486 PolarHBondContact O-N 3.24Å; L484-V486 VanDerWaalsContact O-N 3.17Å | ||
| 487 | A | 27.1 | Very low | 34.7 | Very low | 85 Ų | 85 | 123.6 Ų | 123.6 | 70% | 0.702 | 69% | 0.686 | S | S | * | * | trans | -88.4 | 150.3 | 177.5 | 0 | 0 | 0 | 0 | 0 | 112.4 | ||||
| 488 | E | 27.6 | Very low | 33.8 | Very low | 183 Ų | 183 | 123 Ų | 123 | 86% | 0.855 | 68% | 0.684 | S | S | * | * | S | Bend | trans | 81 | 137.1 | 178.4 | -50.9 | -157.8 | 140.1 | 0 | 0 | 118 | ||
| 489 | L | 27.5 | Very low | 33.2 | Very low | 152 Ų | 152 | 128 Ų | 128 | 80% | 0.796 | 70% | 0.702 | S | S | * | * | S | Bend | trans | 67.4 | 92.2 | 172.8 | -86.3 | 71.7 | 0 | 0 | 0 | 120.8 | ||
| 490 | T | 29 | Very low | 33.3 | Very low | 117 Ų | 117 | 126.7 Ų | 126.7 | 72% | 0.718 | 70% | 0.698 | S | S | * | * | trans | 59.9 | 98.3 | 134.1 | 48.2 | 0 | 0 | 0 | 0 | 121.1 | L492 | T490-L492 PolarHBondContact O-N 2.97Š| ||
| 491 | L | 34.1 | Very low | 34.2 | Very low | 183 Ų | 183 | 124 Ų | 124 | 96% | 0.958 | 69% | 0.686 | S | S | * | * | trans | 47.9 | 61.6 | 138.9 | -81.9 | 165.4 | 0 | 0 | 0 | 116.8 | ||||
| 492 | L | 30.9 | Very low | 35.9 | Very low | 168 Ų | 168 | 116.8 Ų | 116.8 | 88% | 0.88 | 66% | 0.659 | S | S | * | * | trans | -139.1 | 167.4 | 163.7 | -107.2 | 168.4 | 0 | 0 | 0 | 111.7 | T490 | T490-L492 PolarHBondContact O-N 2.97Š| ||
| 493 | V | 28.8 | Very low | 38.1 | Very low | 126 Ų | 126 | 116.3 Ų | 116.3 | 76% | 0.764 | 65% | 0.648 | S | S | * | * | P | Polyproline II helix | trans | -74.7 | 144.7 | -170.7 | -177 | 0 | 0 | 0 | 0 | 111.2 | ||
| 494 | G | 25.6 | Very low | 40.5 | Very low | 72 Ų | 72 | 109.7 Ų | 109.7 | 74% | 0.742 | 62% | 0.615 | S | S | * | * | P | Polyproline II helix | trans | -71.9 | 132.4 | 172.3 | 0 | 0 | 0 | 0 | 0 | 111.7 | ||
| 495 | V | 29.9 | Very low | 42.6 | Very low | 129 Ų | 129 | 110 Ų | 110 | 78% | 0.782 | 61% | 0.613 | S | S | * | * | P | Polyproline II helix | trans | -96.5 | 133.5 | 178 | 177.4 | 0 | 0 | 0 | 0 | 109.3 | ||
| 496 | V | 34.6 | Very low | 45.3 | Very low | 68 Ų | 68 | 104.1 Ų | 104.1 | 41% | 0.412 | 58% | 0.577 | S | S | . | * | P | Polyproline II helix | trans | -85.7 | 133.7 | 171.4 | -174.2 | 0 | 0 | 0 | 0 | 108.2 | Y481 F498 | Y481-V496 HydrophobicContact CD1-CG1 4.11Å; Y481-V496 HydrophobicContact CD1-CG2 4.28Å; Y481-V496 HydrophobicContact CE1-CG1 4.08Å; Y481-V496 HydrophobicContact CE1-CG2 3.95Å; V496-F498 HydrophobicContact CB-CE2 4.14Å; V496-F498 HydrophobicContact CB-CZ 4.34Å; V496-F498 HydrophobicContact CG1-CD2 4.27Å; V496-F498 HydrophobicContact CG1-CE1 4.04Å; V496-F498 HydrophobicContact CG1-CE2 3.71Å; V496-F498 HydrophobicContact CG1-CZ 3.59Å |
| 497 | I | 35.3 | Very low | 47.2 | Very low | 142 Ų | 142 | 101.2 Ų | 101.2 | 73% | 0.728 | 56% | 0.56 | S | S | * | * | trans | -113.4 | 127.7 | 173.5 | -59.2 | 177.2 | 0 | 0 | 0 | 107.2 | ||||
| 498 | F | 45.9 | Very low | 49.2 | Very low | 80 Ų | 80 | 98.6 Ų | 98.6 | 35% | 0.351 | 53% | 0.534 | S | S | . | . | trans | -104.6 | 156.3 | 174.9 | -58.7 | -88.1 | 0 | 0 | 0 | 109.4 | N480 V496 I500 | N480-F498 VanDerWaalsContact OD1-CD1 3.27Å; N480-F498 WeakPolarHBondContact OD1-CD1 3.44Å; N480-F498 VanDerWaalsContact OD1-CE1 3.25Å; N480-F498 WeakPolarHBondContact OD1-CE1 3.48Å; V496-F498 HydrophobicContact CB-CE2 4.14Å; V496-F498 HydrophobicContact CB-CZ 4.34Å; V496-F498 HydrophobicContact CG1-CD2 4.27Å; V496-F498 HydrophobicContact CG1-CE1 4.04Å; V496-F498 HydrophobicContact CG1-CE2 3.71Å; V496-F498 HydrophobicContact CG1-CZ 3.59Å; F498-I500 PolarHBondContact O-N 3.36Å | ||
| 499 | Y | 49.9 | Very low | 50.6 | Low | 142 Ų | 142 | 96.9 Ų | 96.9 | 56% | 0.557 | 53% | 0.531 | S | S | * | . | trans | -81.9 | 103.4 | 171.5 | -131.8 | -86 | 0 | 0 | 0 | 109.2 | P474 | P474-Y499 HydrophobicContact CG-CE1 4.44Š| ||
| 500 | I | 52.3 | Low | 52 | Low | 96 Ų | 96 | 91 Ų | 91 | 49% | 0.492 | 50% | 0.5 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.2 | 131.8 | 179.4 | -51.9 | 177.3 | 0 | 0 | 0 | 108.1 | F498 E540 | F498-I500 PolarHBondContact O-N 3.36Å; I500-E540 VanDerWaalsContact CD1-OE1 3.25Å; I500-E540 WeakPolarHBondContact CD1-OE1 3.25Å; I500-E540 WeakPolarHBondContact CG1-OE1 3.35Å; I500-E540 HydrophobicContact CG2-CG 3.91Å |
| 501 | A | 58.2 | Low | 52.7 | Low | 20 Ų | 20 | 90.9 Ų | 90.9 | 17% | 0.165 | 50% | 0.504 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.2 | -40.9 | 175.8 | 0 | 0 | 0 | 0 | 0 | 112.2 | F532 L541 | A501-F532 HydrophobicContact CB-CE1 4.49Å; A501-L541 HydrophobicContact CB-CD2 3.99Å; A501-L541 HydrophobicContact CB-CG 4.28Å; A501-L541 PolarHBondContact N-O 2.94Å |
| 502 | L | 72.5 | Confident | 53.5 | Low | 14 Ų | 14 | 85.1 Ų | 85.1 | 7% | 0.073 | 49% | 0.489 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -167.8 | 170.8 | -169.4 | 176.1 | 61.8 | 0 | 0 | 0 | 112.5 | Y467 V504 L541 F577 | Y467-L502 HydrophobicContact CD1-CD1 3.49Å; Y467-L502 VanDerWaalsContact CD1-CD1 3.49Å; Y467-L502 HydrophobicContact CD1-CD2 4.16Å; Y467-L502 HydrophobicContact CD1-CG 4.35Å; Y467-L502 HydrophobicContact CD2-CD2 4.14Å; Y467-L502 HydrophobicContact CE1-CD1 4.06Å; Y467-L502 HydrophobicContact CG-CD1 3.94Å; Y467-L502 HydrophobicContact CG-CD2 3.72Å; Y467-L502 HydrophobicContact CG-CG 4.39Å; L502-V504 HydrophobicContact CD2-CG1 3.93Å; L502-V504 HydrophobicContact CG-CG1 4.09Å; L502-L541 HydrophobicContact CB-CB 4.05Å; L502-L541 HydrophobicContact CB-CD2 4.12Å; L502-L541 HydrophobicContact CD2-CD2 4.48Å; L502-L541 PolarHBondContact N-O 2.88Å; L502-L541 PolarHBondContact O-N 2.88Å; L502-F577 HydrophobicContact CD2-CD1 4.21Å; L502-F577 HydrophobicContact CD2-CD2 3.9Å; L502-F577 HydrophobicContact CD2-CE1 3.71Å; L502-F577 HydrophobicContact CD2-CE2 3.35Å; L502-F577 HydrophobicContact CD2-CG 4.32Å; L502-F577 HydrophobicContact CD2-CZ 3.27Å |
| 503 | Q | 77 | Confident | 54.4 | Low | 117 Ų | 117 | 83.6 Ų | 83.6 | 55% | 0.547 | 48% | 0.477 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -141.9 | 148.1 | 161.2 | -172.1 | -178.4 | 0.5 | 0 | 0 | 111.4 | T538 G539 E540 | Q503-T538 WeakPolarHBondContact CG-O 3.48Å; Q503-T538 PolarHBondContact NE2-O 3.15Å; Q503-G539 WeakPolarHBondContact CA-O 3.45Å; Q503-E540 HydrophobicContact CG-CB 4.42Å |
| 504 | V | 81 | Confident | 55.8 | Low | 6 Ų | 6 | 79.4 Ų | 79.4 | 4% | 0.036 | 45% | 0.45 | C | S | . | . | trans | -134.3 | 162.9 | -175 | -50.5 | 0 | 0 | 0 | 0 | 114.9 | F461 Y467 L502 I534 G539 V561 | F461-V504 HydrophobicContact CE1-CB 4.29Å; F461-V504 HydrophobicContact CE1-CG2 3.89Å; Y467-V504 HydrophobicContact CD2-CG1 3.81Å; Y467-V504 HydrophobicContact CE1-CG1 4.34Å; Y467-V504 HydrophobicContact CE2-CB 3.89Å; Y467-V504 HydrophobicContact CE2-CG1 3.35Å; Y467-V504 HydrophobicContact CG-CG1 4.48Å; L502-V504 HydrophobicContact CD2-CG1 3.93Å; L502-V504 HydrophobicContact CG-CG1 4.09Å; V504-I534 HydrophobicContact CG2-CD1 4.22Å; V504-G539 PolarHBondContact N-O 2.87Å; V504-G539 VanDerWaalsContact N-O 3.11Å; V504-V561 HydrophobicContact CG2-CB 4.44Å; V504-V561 HydrophobicContact CG2-CG1 3.81Å | ||
| 505 | E | 74.1 | Confident | 57.5 | Low | 142 Ų | 142 | 77.2 Ų | 77.2 | 66% | 0.664 | 43% | 0.428 | S | S | * | . | trans | -151.1 | 146.1 | -170.2 | -172.5 | 172.4 | -176.1 | 0 | 0 | 115.5 | F461 Y519 | F461-E505 VanDerWaalsContact CD1-O 3.25Å; F461-E505 WeakPolarHBondContact CD1-O 3.25Å; E505-Y519 WeakPolarHBondContact CA-OH 3.34Å | ||
| 506 | A | 82.7 | Confident | 59.2 | Low | 10 Ų | 10 | 75.2 Ų | 75.2 | 8% | 0.083 | 41% | 0.413 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -149.1 | 163.1 | -177.2 | 0 | 0 | 0 | 0 | 0 | 116 | V460 F461 Y519 A563 | V460-A506 CarbonylContact O-C 3.49Å; V460-A506 WeakPolarHBondContact O-CA 3.28Å; V460-A506 VanDerWaalsContact O-CB 3.27Å; V460-A506 WeakPolarHBondContact O-CB 3.32Å; F461-A506 HydrophobicContact CD1-CB 3.92Å; F461-A506 HydrophobicContact CD2-CB 4.49Å; F461-A506 HydrophobicContact CE1-CB 4.16Å; F461-A506 HydrophobicContact CG-CB 4.09Å; A506-Y519 HydrophobicContact CB-CE1 4Å; A506-Y519 PolarHBondContact N-OH 2.73Å; A506-A563 HydrophobicContact CB-CB 3.86Å |
| 507 | T | 67 | Low | 61.1 | Low | 74 Ų | 74 | 73.7 Ų | 73.7 | 45% | 0.454 | 40% | 0.402 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -145.4 | 154 | -172.3 | 52.6 | 0 | 0 | 0 | 0 | 115.7 | P459 V460 | P459-T507 CarbonylContact C-O 3.57Å; P459-T507 VanDerWaalsContact CA-O 3.27Å; P459-T507 WeakPolarHBondContact CA-O 3.33Å; V460-T507 PolarHBondContact N-O 3.27Å; V460-T507 PolarHBondContact O-N 2.82Å |
| 508 | D | 69.1 | Low | 62.8 | Low | 30 Ų | 30 | 70.7 Ų | 70.7 | 16% | 0.16 | 39% | 0.387 | C | S | . | . | trans | -141 | 163.8 | 179.4 | -157.2 | -40.2 | 0 | 0 | 0 | 112 | K458 P459 D510 I517 | K458-D508 WeakPolarHBondContact CA-OD2 3.09Å; P459-D508 WeakPolarHBondContact CD-OD2 3.41Å; P459-D508 HydrophobicContact CG-CB 4.42Å; P459-D508 WeakPolarHBondContact CG-OD2 3.27Å; D508-D510 PolarHBondContact OD1-N 2.8Å; D508-D510 VanDerWaalsContact OD1-N 3.07Å; D508-I517 HydrophobicContact CB-CD1 4.15Å | ||
| 509 | D | 58.3 | Low | 64.1 | Low | 147 Ų | 147 | 68 Ų | 68 | 79% | 0.786 | 38% | 0.375 | S | S | * | . | trans | -123 | -11.9 | -176 | -85.8 | -36.9 | 0 | 0 | 0 | 115.4 | ||||
| 510 | D | 54.9 | Low | 65.3 | Low | 27 Ų | 27 | 63.4 Ų | 63.4 | 14% | 0.144 | 36% | 0.363 | C | S | . | . | trans | -72.3 | 154.9 | -173.2 | -135.9 | 23 | 0 | 0 | 0 | 114.1 | N457 D508 G512 N514 | N457-D510 HydrophobicContact CB-CB 3.78Å; N457-D510 PolarHBondContact ND2-OD1 3.34Å; D508-D510 PolarHBondContact OD1-N 2.8Å; D508-D510 VanDerWaalsContact OD1-N 3.07Å; D510-G512 PolarHBondContact O-N 2.92Å; D510-N514 HydrophobicContact CB-CB 3.77Å; D510-N514 VanDerWaalsContact CB-O 3.26Å; D510-N514 WeakPolarHBondContact CB-O 3.28Å; D510-N514 WeakPolarHBondContact OD2-CB 3.42Å; D510-N514 PolarHBondContact OD2-ND2 2.98Å | ||
| 511 | S | 44.2 | Very low | 66.5 | Low | 116 Ų | 116 | 60.5 Ų | 60.5 | 81% | 0.811 | 35% | 0.348 | S | S | * | . | S | Bend | trans | -85.9 | 106.4 | -170.8 | -76.4 | 0 | 0 | 0 | 0 | 114.8 | ||
| 512 | G | 51.7 | Low | 67.1 | Low | 61 Ų | 61 | 65.4 Ų | 65.4 | 63% | 0.629 | 36% | 0.363 | S | S | * | . | S | Bend | trans | 114 | -121.5 | 164.7 | 0 | 0 | 0 | 0 | 0 | 112.9 | D510 N514 | D510-G512 PolarHBondContact O-N 2.92Å; G512-N514 VanDerWaalsContact C-N 3.3Å |
| 513 | Q | 49.5 | Very low | 66.5 | Low | 137 Ų | 137 | 67.1 Ų | 67.1 | 64% | 0.64 | 37% | 0.369 | S | S | * | . | G | 310 helix | trans | -67.2 | -33.9 | 175.6 | -105.1 | -176 | -46.8 | 0 | 0 | 111.9 | G515 K566 G567 | Q513-G515 PolarHBondContact O-N 3.33Å; Q513-K566 WeakPolarHBondContact CB-O 3.23Å; Q513-K566 WeakPolarHBondContact CG-O 3.36Å; Q513-K566 PolarHBondContact NE2-O 3.38Å; Q513-K566 CarbonylContact O-C 3.55Å; Q513-K566 PolarHBondContact O-N 2.91Å; Q513-G567 PolarHBondContact O-N 3.43Å |
| 514 | N | 58 | Low | 65.6 | Low | 37 Ų | 37 | 65.3 Ų | 65.3 | 20% | 0.198 | 37% | 0.367 | C | S | . | . | G | 310 helix | trans | -65.5 | 15.4 | -178.7 | -58.7 | 5.3 | 0 | 0 | 0 | 115.3 | D510 G512 G567 | D510-N514 HydrophobicContact CB-CB 3.77Å; D510-N514 VanDerWaalsContact CB-O 3.26Å; D510-N514 WeakPolarHBondContact CB-O 3.28Å; D510-N514 WeakPolarHBondContact OD2-CB 3.42Å; D510-N514 PolarHBondContact OD2-ND2 2.98Å; G512-N514 VanDerWaalsContact C-N 3.3Å; N514-G567 WeakPolarHBondContact OD1-CA 3.4Å |
| 515 | G | 62.5 | Low | 64 | Low | 27 Ų | 27 | 73.8 Ų | 73.8 | 28% | 0.278 | 41% | 0.407 | S | S | . | . | G | 310 helix | trans | -152.2 | 26.8 | -173.6 | 0 | 0 | 0 | 0 | 0 | 115.3 | Q513 | Q513-G515 PolarHBondContact O-N 3.33Š|
| 516 | D | 64.9 | Low | 62.6 | Low | 86 Ų | 86 | 70.3 Ų | 70.3 | 46% | 0.46 | 41% | 0.409 | S | S | . | . | trans | -129.4 | 113.2 | -172.9 | -175.8 | 28.5 | 0 | 0 | 0 | 111.7 | D565 K566 | D516-D565 CarbonylContact O-C 3.57Å; D516-D565 VanDerWaalsContact O-C 3.25Å; D516-D565 VanDerWaalsContact O-CA 3.26Å; D516-D565 WeakPolarHBondContact O-CA 3.31Å; D516-K566 HydrophobicContact CB-CB 4.49Å; D516-K566 HydrophobicContact CB-CD 4.22Å; D516-K566 VanDerWaalsContact O-CD 3.29Å; D516-K566 WeakPolarHBondContact O-CD 3.17Å; D516-K566 WeakPolarHBondContact O-CE 3.39Å; D516-K566 WeakPolarHBondContact O-CG 3.37Å; D516-K566 PolarHBondContact O-N 2.79Å; D516-K566 VanDerWaalsContact O-N 3.09Å; D516-K566 IonicContact OD1-NZ 3.65Å; D516-K566 PolarHBondContact OD1-NZ 3.14Å; D516-K566 VanDerWaalsContact OD2-CD 3.31Å; D516-K566 WeakPolarHBondContact OD2-CD 3.15Å; D516-K566 IonicContact OD2-NZ 3.17Å; D516-K566 PolarHBondContact OD2-NZ 2.9Å | ||
| 517 | I | 73.4 | Confident | 60.9 | Low | 37 Ų | 37 | 72.5 Ų | 72.5 | 19% | 0.19 | 42% | 0.418 | C | S | . | . | trans | -98.2 | 157.9 | -150.9 | -58.6 | 168.8 | 0 | 0 | 0 | 115.6 | P459 D508 A563 T564 K566 | P459-I517 HydrophobicContact CB-CD1 4.2Å; P459-I517 HydrophobicContact CB-CG1 4.49Å; D508-I517 HydrophobicContact CB-CD1 4.15Å; I517-A563 HydrophobicContact CG2-CB 4.08Å; I517-T564 CarbonylContact C-O 3.17Å; I517-T564 VanDerWaalsContact CA-O 3.29Å; I517-T564 WeakPolarHBondContact CA-O 3.32Å; I517-K566 WeakPolarHBondContact O-CE 3.35Å; I517-K566 PolarHBondContact O-NZ 3.01Å | ||
| 518 | I | 72.4 | Confident | 60.1 | Low | 78 Ų | 78 | 75.2 Ų | 75.2 | 40% | 0.4 | 44% | 0.435 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -139.8 | 145.7 | 173.3 | -54 | 179.6 | 0 | 0 | 0 | 110.4 | A536 A563 T564 K566 | I518-A536 HydrophobicContact CG2-CB 4.31Å; I518-A563 CarbonylContact O-C 3.55Å; I518-A563 VanDerWaalsContact O-CA 3.29Å; I518-A563 WeakPolarHBondContact O-CA 3.16Å; I518-T564 PolarHBondContact N-O 3.49Å; I518-T564 PolarHBondContact O-N 3.12Å; I518-K566 HydrophobicContact CD1-CD 4.32Å; I518-K566 HydrophobicContact CD1-CG 4.06Å; I518-K566 HydrophobicContact CG1-CD 4.42Å; I518-K566 HydrophobicContact CG1-CG 4.36Å |
| 519 | Y | 72.1 | Confident | 59.4 | Low | 25 Ų | 25 | 75.8 Ų | 75.8 | 10% | 0.098 | 44% | 0.435 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.4 | 156.3 | 174.7 | -57.1 | -78.2 | 0 | 0 | 0 | 114.1 | F461 E505 A506 A536 K562 A563 | F461-Y519 HydrophobicContact CE1-CD1 4.05Å; F461-Y519 AromaticContact CE1-CE1 3.86Å; F461-Y519 HydrophobicContact CE1-CE1 3.86Å; F461-Y519 HydrophobicContact CZ-CD1 4.09Å; F461-Y519 HydrophobicContact CZ-CE1 4.25Å; E505-Y519 WeakPolarHBondContact CA-OH 3.34Å; A506-Y519 HydrophobicContact CB-CE1 4Å; A506-Y519 PolarHBondContact N-OH 2.73Å; Y519-A536 PolarHBondContact N-O 2.85Å; Y519-A536 VanDerWaalsContact O-CA 3.28Å; Y519-A536 WeakPolarHBondContact O-CA 3.2Å; Y519-A536 VanDerWaalsContact O-CB 3.31Å; Y519-A536 WeakPolarHBondContact O-CB 3.1Å; Y519-K562 CarbonylContact C-O 3.45Å; Y519-K562 VanDerWaalsContact CA-O 3.31Å; Y519-K562 WeakPolarHBondContact CA-O 3.25Å; Y519-A563 HydrophobicContact CD1-CB 4.05Å; Y519-A563 HydrophobicContact CE1-CB 4.11Å |
| 520 | S | 75.5 | Confident | 60 | Low | 45 Ų | 45 | 74.2 Ų | 74.2 | 32% | 0.315 | 42% | 0.421 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -160.1 | 158.2 | 174.1 | 52.6 | 0 | 0 | 0 | 0 | 113 | V561 K562 | S520-V561 WeakPolarHBondContact O-CA 3.38Å; S520-V561 WeakPolarHBondContact O-CG1 3.44Å; S520-K562 PolarHBondContact N-O 3.35Å; S520-K562 PolarHBondContact O-N 3.49Å |
| 521 | L | 78.2 | Confident | 60.8 | Low | 35 Ų | 35 | 73 Ų | 73 | 18% | 0.183 | 42% | 0.415 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.1 | 141.4 | 168.8 | -86.2 | 169.4 | 0 | 0 | 0 | 110.4 | Y523 F532 I534 L541 V559 I560 V561 | L521-Y523 HydrophobicContact CB-CD2 4.41Å; L521-Y523 HydrophobicContact CB-CE2 4.07Å; L521-Y523 HydrophobicContact CD1-CE2 4.08Å; L521-F532 HydrophobicContact CD1-CB 4.11Å; L521-F532 WeakPolarHBondContact CD1-O 3.37Å; L521-I534 HydrophobicContact CB-CG2 4.18Å; L521-I534 HydrophobicContact CD1-CB 4.1Å; L521-I534 HydrophobicContact CD1-CG2 4.25Å; L521-I534 HydrophobicContact CG-CB 3.87Å; L521-I534 HydrophobicContact CG-CG2 3.71Å; L521-L541 HydrophobicContact CD1-CD1 3.9Å; L521-L541 HydrophobicContact CD2-CD1 3.87Å; L521-L541 HydrophobicContact CG-CD1 4.24Å; L521-V559 HydrophobicContact CD2-CG1 3.48Å; L521-V559 VanDerWaalsContact CD2-CG1 3.48Å; L521-I560 WeakPolarHBondContact CD2-O 3.42Å; L521-V561 HydrophobicContact CD2-CG2 4.06Å |
| 522 | Y | 69.2 | Low | 62.6 | Low | 123 Ų | 123 | 67.7 Ų | 67.7 | 48% | 0.482 | 38% | 0.377 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.9 | 123.6 | 174.1 | -176.2 | -101.8 | 0 | 0 | 0 | 110 | I560 F574 | Y522-I560 HydrophobicContact CD1-CB 4.31Å; Y522-I560 HydrophobicContact CD1-CD1 4.1Å; Y522-I560 HydrophobicContact CD1-CG2 4.11Å; Y522-I560 HydrophobicContact CG-CG2 4.42Å; Y522-I560 PolarHBondContact N-O 2.8Å; Y522-F574 HydrophobicContact CD2-CE1 4.38Å; Y522-F574 HydrophobicContact CG-CE1 4.4Å |
| 523 | Y | 61.9 | Low | 63.6 | Low | 49 Ų | 49 | 68.5 Ų | 68.5 | 19% | 0.192 | 37% | 0.369 | C | S | . | . | trans | -124.3 | 137.6 | 175.3 | -76.2 | -69.6 | 0 | 0 | 0 | 108.5 | L521 K530 P531 F532 | L521-Y523 HydrophobicContact CB-CD2 4.41Å; L521-Y523 HydrophobicContact CB-CE2 4.07Å; L521-Y523 HydrophobicContact CD1-CE2 4.08Å; Y523-K530 HydrophobicContact CD2-CD 4.16Å; Y523-K530 HydrophobicContact CD2-CG 3.99Å; Y523-K530 HydrophobicContact CE2-CB 4.09Å; Y523-K530 HydrophobicContact CE2-CD 4.35Å; Y523-K530 HydrophobicContact CE2-CG 3.96Å; Y523-K530 HydrophobicContact CG-CG 4.34Å; Y523-P531 HydrophobicContact CE1-CG 4.48Å; Y523-F532 PolarHBondContact OH-N 3.4Å; Y523-F532 VanDerWaalsContact OH-N 3.09Å; Y523-F532 PolarHBondContact OH-O 3.01Å | ||
| 524 | P | 56.5 | Low | 64.8 | Low | 79 Ų | 79 | 63.1 Ų | 63.1 | 51% | 0.513 | 35% | 0.345 | S | S | . | . | trans | -57.2 | 147 | 173.7 | -25.2 | 35.3 | 0 | 0 | 0 | 112.7 | G526 E527 | P524-G526 PolarHBondContact O-N 2.87Å; P524-E527 PolarHBondContact O-N 3.48Å | ||
| 525 | Q | 46.9 | Very low | 64.9 | Low | 184 Ų | 184 | 64.5 Ų | 64.5 | 86% | 0.86 | 35% | 0.352 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -58.5 | 129.8 | 172 | -75.4 | -76.4 | 5.5 | 0 | 0 | 109.9 | ||
| 526 | G | 45 | Very low | 65.2 | Low | 70 Ų | 70 | 65.4 Ų | 65.4 | 72% | 0.722 | 36% | 0.357 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 97.3 | -18.8 | -176.5 | 0 | 0 | 0 | 0 | 0 | 115.7 | P524 T528 | P524-G526 PolarHBondContact O-N 2.87Å; G526-T528 PolarHBondContact O-N 3.38Å; G526-T528 VanDerWaalsContact O-N 3.15Å |
| 527 | E | 46.8 | Very low | 64.9 | Low | 55 Ų | 55 | 67.2 Ų | 67.2 | 26% | 0.257 | 37% | 0.371 | S | S | . | . | trans | -76.1 | 105.4 | 176.9 | -178 | 55.4 | -70.4 | 0 | 0 | 110.6 | P524 R529 R554 | P524-E527 PolarHBondContact O-N 3.48Å; E527-R529 WeakPolarHBondContact CG-O 3.01Å; E527-R529 VanDerWaalsContact OE1-CB 3.24Å; E527-R529 WeakPolarHBondContact OE1-CB 3.39Å; E527-R529 PolarHBondContact OE1-N 3.07Å; E527-R554 IonicContact OE2-CZ 3.57Å; E527-R554 IonicContact OE2-NH1 3.62Å; E527-R554 PolarHBondContact OE2-NH1 3.47Å; E527-R554 IonicContact OE2-NH2 2.71Å; E527-R554 PolarHBondContact OE2-NH2 2.04Å | ||
| 528 | T | 51.6 | Low | 64.9 | Low | 132 Ų | 132 | 68.1 Ų | 68.1 | 81% | 0.81 | 38% | 0.378 | S | S | * | . | trans | -82.7 | -26 | 178.1 | 57.8 | 0 | 0 | 0 | 0 | 111.7 | G526 K530 | G526-T528 PolarHBondContact O-N 3.38Å; G526-T528 VanDerWaalsContact O-N 3.15Å; T528-K530 PolarHBondContact O-N 2.82Å | ||
| 529 | R | 54.8 | Low | 65.1 | Low | 42 Ų | 42 | 64.4 Ų | 64.4 | 16% | 0.158 | 36% | 0.359 | C | S | . | . | trans | -76.8 | 102.1 | 177.6 | -155.6 | -173.4 | -153.7 | -73.5 | -10.3 | 108.5 | E527 P531 E548 E553 E557 | E527-R529 WeakPolarHBondContact CG-O 3.01Å; E527-R529 VanDerWaalsContact OE1-CB 3.24Å; E527-R529 WeakPolarHBondContact OE1-CB 3.39Å; E527-R529 PolarHBondContact OE1-N 3.07Å; R529-P531 VanDerWaalsContact C-CD 3.42Å; R529-P531 WeakPolarHBondContact O-CD 3.06Å; R529-E548 PolarHBondContact NH2-O 3.19Å; R529-E553 IonicContact CZ-OE2 3.29Å; R529-E553 IonicContact NE-OE2 2.7Å; R529-E553 PolarHBondContact NE-OE2 3.33Å; R529-E553 IonicContact NH2-OE2 2.73Å; R529-E553 PolarHBondContact NH2-OE2 3.41Å; R529-E557 IonicContact CZ-OE1 3.7Å; R529-E557 IonicContact NH1-OE1 2.79Å; R529-E557 PolarHBondContact NH1-OE1 2.94Å | ||
| 530 | K | 69.5 | Low | 65 | Low | 113 Ų | 113 | 64.7 Ų | 64.7 | 49% | 0.491 | 36% | 0.361 | S | S | . | . | trans | -104.9 | 82.4 | 177.1 | -67.7 | -178 | -179.3 | 175.6 | 0 | 110.5 | Y523 T528 F532 S544 V547 | Y523-K530 HydrophobicContact CD2-CD 4.16Å; Y523-K530 HydrophobicContact CD2-CG 3.99Å; Y523-K530 HydrophobicContact CE2-CB 4.09Å; Y523-K530 HydrophobicContact CE2-CD 4.35Å; Y523-K530 HydrophobicContact CE2-CG 3.96Å; Y523-K530 HydrophobicContact CG-CG 4.34Å; T528-K530 PolarHBondContact O-N 2.82Å; K530-F532 PolarHBondContact O-N 3.32Å; K530-S544 WeakPolarHBondContact O-CB 3.45Å; K530-S544 PolarHBondContact O-OG 3.42Å; K530-S544 VanDerWaalsContact O-OG 3.12Å; K530-V547 WeakPolarHBondContact O-CG2 3.32Å | ||
| 531 | P | 71.8 | Confident | 65.2 | Low | 3 Ų | 3 | 62.6 Ų | 62.6 | 2% | 0.019 | 35% | 0.347 | C | S | . | . | trans | -65.3 | -20.1 | -173.3 | 24 | -34.9 | 0 | 0 | 0 | 114.2 | Y523 R529 S544 V547 F549 E557 | Y523-P531 HydrophobicContact CE1-CG 4.48Å; R529-P531 VanDerWaalsContact C-CD 3.42Å; R529-P531 WeakPolarHBondContact O-CD 3.06Å; P531-S544 VanDerWaalsContact O-CB 3.26Å; P531-S544 WeakPolarHBondContact O-CB 3.34Å; P531-S544 PolarHBondContact O-N 3.48Å; P531-V547 HydrophobicContact CB-CG1 4.32Å; P531-F549 HydrophobicContact CB-CE1 3.71Å; P531-F549 HydrophobicContact CB-CZ 3.66Å; P531-F549 WeakPolarHBondContact O-CZ 3.41Å; P531-E557 HydrophobicContact CB-CG 4.41Å; P531-E557 HydrophobicContact CG-CB 4.4Å; P531-E557 HydrophobicContact CG-CG 4.36Å | ||
| 532 | F | 81.6 | Confident | 64.9 | Low | 4 Ų | 4 | 64.7 Ų | 64.7 | 2% | 0.018 | 35% | 0.352 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.7 | 160.9 | -177.4 | -55.6 | -77.5 | 0 | 0 | 0 | 113.1 | A501 L521 Y523 K530 L541 R542 F549 E557 V559 V579 | A501-F532 HydrophobicContact CB-CE1 4.49Å; L521-F532 HydrophobicContact CD1-CB 4.11Å; L521-F532 WeakPolarHBondContact CD1-O 3.37Å; Y523-F532 PolarHBondContact OH-N 3.4Å; Y523-F532 VanDerWaalsContact OH-N 3.09Å; Y523-F532 PolarHBondContact OH-O 3.01Å; K530-F532 PolarHBondContact O-N 3.32Å; F532-L541 HydrophobicContact CB-CD1 3.73Å; F532-L541 HydrophobicContact CB-CG 4.17Å; F532-L541 HydrophobicContact CD1-CD2 4.49Å; F532-L541 HydrophobicContact CD1-CG 4.46Å; F532-L541 HydrophobicContact CG-CD1 4.42Å; F532-L541 HydrophobicContact CG-CD2 4.49Å; F532-L541 HydrophobicContact CG-CG 4.45Å; F532-R542 CarbonylContact C-O 3.55Å; F532-R542 VanDerWaalsContact CA-O 3.22Å; F532-R542 WeakPolarHBondContact CA-O 3.23Å; F532-R542 WeakPolarHBondContact CB-O 3.36Å; F532-F549 HydrophobicContact CE1-CE1 4.5Å; F532-F549 HydrophobicContact CE1-CZ 4.1Å; F532-F549 AromaticContact CZ-CE1 3.99Å; F532-F549 HydrophobicContact CZ-CE1 3.99Å; F532-F549 HydrophobicContact CZ-CZ 4.02Å; F532-E557 HydrophobicContact CE2-CB 4.02Å; F532-V559 HydrophobicContact CD2-CG2 3.4Å; F532-V559 HydrophobicContact CE2-CG2 3.6Å; F532-V559 HydrophobicContact CG-CG2 4.27Å; F532-V579 HydrophobicContact CE1-CG1 4.31Å; F532-V579 HydrophobicContact CE2-CB 4.24Å; F532-V579 HydrophobicContact CE2-CG2 3.91Å; F532-V579 HydrophobicContact CZ-CB 3.88Å; F532-V579 HydrophobicContact CZ-CG1 3.73Å; F532-V579 HydrophobicContact CZ-CG2 3.79Å |
| 533 | V | 73.2 | Confident | 65.1 | Low | 78 Ų | 78 | 59.5 Ų | 59.5 | 47% | 0.473 | 34% | 0.335 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.4 | 139 | 175 | -175.6 | 0 | 0 | 0 | 0 | 108.1 | R542 | V533-R542 PolarHBondContact N-O 2.81Å; V533-R542 PolarHBondContact O-N 2.04Å |
| 534 | I | 74.7 | Confident | 65.5 | Low | 24 Ų | 24 | 57.6 Ų | 57.6 | 12% | 0.123 | 33% | 0.328 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.7 | 145.9 | 176.3 | -159 | 174.1 | 0 | 0 | 0 | 111.8 | V504 L521 E540 L541 V561 | V504-I534 HydrophobicContact CG2-CD1 4.22Å; L521-I534 HydrophobicContact CB-CG2 4.18Å; L521-I534 HydrophobicContact CD1-CB 4.1Å; L521-I534 HydrophobicContact CD1-CG2 4.25Å; L521-I534 HydrophobicContact CG-CB 3.87Å; L521-I534 HydrophobicContact CG-CG2 3.71Å; I534-E540 CarbonylContact C-O 3.49Å; I534-E540 VanDerWaalsContact CA-O 3.28Å; I534-E540 WeakPolarHBondContact CA-O 3.27Å; I534-E540 WeakPolarHBondContact CG1-O 3.45Å; I534-L541 HydrophobicContact CB-CD1 4.32Å; I534-V561 HydrophobicContact CD1-CB 4.4Å; I534-V561 HydrophobicContact CD1-CG1 3.45Å; I534-V561 VanDerWaalsContact CD1-CG1 3.45Å; I534-V561 HydrophobicContact CD1-CG2 3.96Å |
| 535 | D | 60.3 | Low | 65.6 | Low | 65 Ų | 65 | 55 Ų | 55 | 35% | 0.348 | 31% | 0.312 | S | S | . | . | trans | -76.8 | 124 | 167.1 | -173.3 | -64 | 0 | 0 | 0 | 110.9 | V537 T538 G539 E540 | D535-V537 PolarHBondContact O-N 2.87Å; D535-V537 WeakPolarHBondContact OD1-CA 3.42Å; D535-V537 PolarHBondContact OD1-N 3.03Å; D535-T538 VanDerWaalsContact CB-OG1 3.25Å; D535-T538 WeakPolarHBondContact CB-OG1 3.25Å; D535-T538 VanDerWaalsContact CG-OG1 3.28Å; D535-T538 PolarHBondContact OD1-N 2.03Å; D535-T538 PolarHBondContact OD1-OG1 3.2Å; D535-G539 WeakPolarHBondContact O-CA 3.29Å; D535-G539 PolarHBondContact O-N 2.79Å; D535-E540 HydrophobicContact CB-CB 4.33Å; D535-E540 PolarHBondContact N-O 2.99Å | ||
| 536 | A | 68.9 | Low | 66.3 | Low | 47 Ų | 47 | 56 Ų | 56 | 39% | 0.388 | 31% | 0.309 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -72.1 | -7.6 | -173.9 | 0 | 0 | 0 | 0 | 0 | 115.2 | I518 Y519 | I518-A536 HydrophobicContact CG2-CB 4.31Å; Y519-A536 PolarHBondContact N-O 2.85Å; Y519-A536 VanDerWaalsContact O-CA 3.28Å; Y519-A536 WeakPolarHBondContact O-CA 3.2Å; Y519-A536 VanDerWaalsContact O-CB 3.31Å; Y519-A536 WeakPolarHBondContact O-CB 3.1Å |
| 537 | V | 58.8 | Low | 67.4 | Low | 123 Ų | 123 | 53.4 Ų | 53.4 | 75% | 0.745 | 28% | 0.279 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -115.4 | -33.6 | 179.8 | -176 | 0 | 0 | 0 | 0 | 111.4 | D535 | D535-V537 PolarHBondContact O-N 2.87Å; D535-V537 WeakPolarHBondContact OD1-CA 3.42Å; D535-V537 PolarHBondContact OD1-N 3.03Å |
| 538 | T | 73.3 | Confident | 68.6 | Low | 56 Ų | 56 | 56 Ų | 56 | 34% | 0.344 | 29% | 0.291 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -103.3 | -14.8 | -177.5 | 73.3 | 0 | 0 | 0 | 0 | 114.7 | Q503 D535 E540 | Q503-T538 WeakPolarHBondContact CG-O 3.48Å; Q503-T538 PolarHBondContact NE2-O 3.15Å; D535-T538 VanDerWaalsContact CB-OG1 3.25Å; D535-T538 WeakPolarHBondContact CB-OG1 3.25Å; D535-T538 VanDerWaalsContact CG-OG1 3.28Å; D535-T538 PolarHBondContact OD1-N 2.03Å; D535-T538 PolarHBondContact OD1-OG1 3.2Å; T538-E540 VanDerWaalsContact C-N 3.27Å; T538-E540 PolarHBondContact O-N 3.32Å; T538-E540 PolarHBondContact OG1-N 3.48Å |
| 539 | G | 76.7 | Confident | 69.9 | Low | 0 Ų | 0 | 49.9 Ų | 49.9 | 0% | 0 | 25% | 0.253 | C | S | . | . | trans | 72.2 | 14.8 | -177.4 | 0 | 0 | 0 | 0 | 0 | 114.6 | Q503 V504 D535 | Q503-G539 WeakPolarHBondContact CA-O 3.45Å; V504-G539 PolarHBondContact N-O 2.87Å; V504-G539 VanDerWaalsContact N-O 3.11Å; D535-G539 WeakPolarHBondContact O-CA 3.29Å; D535-G539 PolarHBondContact O-N 2.79Å | ||
| 540 | E | 70.7 | Confident | 71 | Confident | 32 Ų | 32 | 50.7 Ų | 50.7 | 15% | 0.15 | 26% | 0.261 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -77.8 | 121.9 | -178.3 | -169.3 | -162.3 | 145.7 | 0 | 0 | 112 | I500 Q503 I534 D535 T538 R542 | I500-E540 VanDerWaalsContact CD1-OE1 3.25Å; I500-E540 WeakPolarHBondContact CD1-OE1 3.25Å; I500-E540 WeakPolarHBondContact CG1-OE1 3.35Å; I500-E540 HydrophobicContact CG2-CG 3.91Å; Q503-E540 HydrophobicContact CG-CB 4.42Å; I534-E540 CarbonylContact C-O 3.49Å; I534-E540 VanDerWaalsContact CA-O 3.28Å; I534-E540 WeakPolarHBondContact CA-O 3.27Å; I534-E540 WeakPolarHBondContact CG1-O 3.45Å; D535-E540 HydrophobicContact CB-CB 4.33Å; D535-E540 PolarHBondContact N-O 2.99Å; T538-E540 VanDerWaalsContact C-N 3.27Å; T538-E540 PolarHBondContact O-N 3.32Å; T538-E540 PolarHBondContact OG1-N 3.48Å; E540-R542 IonicContact OE1-CZ 2.68Å; E540-R542 IonicContact OE1-NE 2.71Å; E540-R542 PolarHBondContact OE1-NE 2.98Å; E540-R542 IonicContact OE1-NH2 3.72Å; E540-R542 PolarHBondContact OE1-NH2 3.05Å; E540-R542 IonicContact OE2-CZ 3.68Å; E540-R542 IonicContact OE2-NE 3.4Å; E540-R542 IonicContact OE2-NH2 2.88Å; E540-R542 PolarHBondContact OE2-NH2 2.88Å |
| 541 | L | 78.2 | Confident | 71.5 | Confident | 1 Ų | 1 | 48 Ų | 48 | 1% | 0.005 | 25% | 0.248 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -96.8 | 129.8 | -178.8 | -170.5 | 76.5 | 0 | 0 | 0 | 111.7 | A501 L502 L521 F532 I534 V559 F577 | A501-L541 HydrophobicContact CB-CD2 3.99Å; A501-L541 HydrophobicContact CB-CG 4.28Å; A501-L541 PolarHBondContact N-O 2.94Å; L502-L541 HydrophobicContact CB-CB 4.05Å; L502-L541 HydrophobicContact CB-CD2 4.12Å; L502-L541 HydrophobicContact CD2-CD2 4.48Å; L502-L541 PolarHBondContact N-O 2.88Å; L502-L541 PolarHBondContact O-N 2.88Å; L521-L541 HydrophobicContact CD1-CD1 3.9Å; L521-L541 HydrophobicContact CD2-CD1 3.87Å; L521-L541 HydrophobicContact CG-CD1 4.24Å; F532-L541 HydrophobicContact CB-CD1 3.73Å; F532-L541 HydrophobicContact CB-CG 4.17Å; F532-L541 HydrophobicContact CD1-CD2 4.49Å; F532-L541 HydrophobicContact CD1-CG 4.46Å; F532-L541 HydrophobicContact CG-CD1 4.42Å; F532-L541 HydrophobicContact CG-CD2 4.49Å; F532-L541 HydrophobicContact CG-CG 4.45Å; I534-L541 HydrophobicContact CB-CD1 4.32Å; L541-V559 HydrophobicContact CD1-CG1 4.09Å; L541-V559 HydrophobicContact CD2-CG1 4.05Å; L541-F577 HydrophobicContact CD2-CE2 3.74Å; L541-F577 HydrophobicContact CD2-CZ 3.95Å |
| 542 | R | 73 | Confident | 71.7 | Confident | 78 Ų | 78 | 51 Ų | 51 | 29% | 0.294 | 26% | 0.261 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.9 | 151.3 | 179 | -62.2 | -178.3 | -177 | 145.9 | 12.4 | 111.9 | F532 V533 E540 | F532-R542 CarbonylContact C-O 3.55Å; F532-R542 VanDerWaalsContact CA-O 3.22Å; F532-R542 WeakPolarHBondContact CA-O 3.23Å; F532-R542 WeakPolarHBondContact CB-O 3.36Å; V533-R542 PolarHBondContact N-O 2.81Å; V533-R542 PolarHBondContact O-N 2.04Å; E540-R542 IonicContact OE1-CZ 2.68Å; E540-R542 IonicContact OE1-NE 2.71Å; E540-R542 PolarHBondContact OE1-NE 2.98Å; E540-R542 IonicContact OE1-NH2 3.72Å; E540-R542 PolarHBondContact OE1-NH2 3.05Å; E540-R542 IonicContact OE2-CZ 3.68Å; E540-R542 IonicContact OE2-NE 3.4Å; E540-R542 IonicContact OE2-NH2 2.88Å; E540-R542 PolarHBondContact OE2-NH2 2.88Å |
| 543 | A | 71.8 | Confident | 71.3 | Confident | 15 Ų | 15 | 56.4 Ų | 56.4 | 12% | 0.124 | 29% | 0.287 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -62.1 | 140.6 | 168.1 | 0 | 0 | 0 | 0 | 0 | 110.8 | V473 H478 F549 | V473-A543 HydrophobicContact CG2-CB 4.31Å; H478-A543 HydrophobicContact CB-CB 4.27Å; A543-F549 HydrophobicContact CB-CE2 4.11Å; A543-F549 HydrophobicContact CB-CZ 4.48Å |
| 544 | S | 71.4 | Confident | 71.3 | Confident | 8 Ų | 8 | 56.7 Ų | 56.7 | 6% | 0.056 | 28% | 0.279 | C | S | . | . | trans | -78.5 | 124.7 | -178.3 | -177.6 | 0 | 0 | 0 | 0 | 110.9 | K530 P531 Y546 V547 | K530-S544 WeakPolarHBondContact O-CB 3.45Å; K530-S544 PolarHBondContact O-OG 3.42Å; K530-S544 VanDerWaalsContact O-OG 3.12Å; P531-S544 VanDerWaalsContact O-CB 3.26Å; P531-S544 WeakPolarHBondContact O-CB 3.34Å; P531-S544 PolarHBondContact O-N 3.48Å; S544-Y546 PolarHBondContact O-N 2.69Å; S544-Y546 VanDerWaalsContact O-N 3.08Å; S544-V547 PolarHBondContact O-N 2.82Å; S544-V547 VanDerWaalsContact O-N 3.12Å | ||
| 545 | P | 58.5 | Low | 71.2 | Confident | 25 Ų | 25 | 58.5 Ų | 58.5 | 16% | 0.162 | 29% | 0.293 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -72.3 | -3.9 | -176.1 | 32.4 | -38.2 | 0 | 0 | 0 | 113.7 | H478 | H478-P545 WeakPolarHBondContact O-CA 3.36Å; H478-P545 WeakPolarHBondContact O-CB 3.37Å |
| 546 | Y | 62 | Low | 72 | Confident | 205 Ų | 205 | 61.1 Ų | 61.1 | 80% | 0.804 | 30% | 0.301 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -100.9 | -10.1 | 176.4 | -55.5 | -71.7 | 0 | 0 | 0 | 112.9 | S544 | S544-Y546 PolarHBondContact O-N 2.69Å; S544-Y546 VanDerWaalsContact O-N 3.08Å |
| 547 | V | 68.1 | Low | 72.4 | Confident | 16 Ų | 16 | 59.5 Ų | 59.5 | 10% | 0.097 | 29% | 0.285 | C | S | . | . | trans | -101.2 | 128.6 | 177.8 | 175.4 | 0 | 0 | 0 | 0 | 109.6 | K530 P531 S544 F549 | K530-V547 WeakPolarHBondContact O-CG2 3.32Å; P531-V547 HydrophobicContact CB-CG1 4.32Å; S544-V547 PolarHBondContact O-N 2.82Å; S544-V547 VanDerWaalsContact O-N 3.12Å; V547-F549 HydrophobicContact CG1-CD2 4.44Å; V547-F549 HydrophobicContact CG1-CE2 4.24Å; V547-F549 HydrophobicContact CG1-CZ 4.38Å | ||
| 548 | E | 70.7 | Confident | 73.1 | Confident | 108 Ų | 108 | 58 Ų | 58 | 51% | 0.505 | 27% | 0.273 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.7 | 125 | 166.7 | -169.1 | 127.4 | -135.1 | 0 | 0 | 107.4 | K477 R529 | K477-E548 HydrophobicContact CB-CB 4.28Å; K477-E548 HydrophobicContact CB-CG 4.21Å; K477-E548 WeakPolarHBondContact CB-OE1 3.43Å; K477-E548 HydrophobicContact CG-CB 4.4Å; K477-E548 PolarHBondContact N-OE1 2.98Å; K477-E548 VanDerWaalsContact N-OE1 3.1Å; R529-E548 PolarHBondContact NH2-O 3.19Å |
| 549 | F | 79.5 | Confident | 73.4 | Confident | 4 Ų | 4 | 55.4 Ų | 55.4 | 2% | 0.018 | 26% | 0.257 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.1 | 112.8 | 175.3 | -70.6 | -91.7 | 0 | 0 | 0 | 107.8 | V473 E475 G476 H478 P531 F532 A543 V547 E557 V581 | V473-F549 HydrophobicContact CG1-CD1 3.63Å; V473-F549 HydrophobicContact CG1-CE1 3.78Å; V473-F549 HydrophobicContact CG1-CG 4.05Å; V473-F549 HydrophobicContact CG1-CZ 4.34Å; V473-F549 HydrophobicContact CG2-CD1 4.47Å; V473-F549 HydrophobicContact CG2-CD2 4.01Å; V473-F549 HydrophobicContact CG2-CE1 4.46Å; V473-F549 HydrophobicContact CG2-CE2 4.01Å; V473-F549 HydrophobicContact CG2-CG 4.24Å; V473-F549 HydrophobicContact CG2-CZ 4.22Å; E475-F549 CarbonylContact C-O 3.38Å; E475-F549 VanDerWaalsContact CA-O 3.25Å; E475-F549 WeakPolarHBondContact CA-O 3.36Å; E475-F549 WeakPolarHBondContact CB-O 3.33Å; E475-F549 VanDerWaalsContact CG-O 3.3Å; E475-F549 WeakPolarHBondContact CG-O 3.24Å; G476-F549 PolarHBondContact N-O 3.36Å; G476-F549 PolarHBondContact O-N 2.96Å; H478-F549 AromaticContact ND1-CD2 3.96Å; P531-F549 HydrophobicContact CB-CE1 3.71Å; P531-F549 HydrophobicContact CB-CZ 3.66Å; P531-F549 WeakPolarHBondContact O-CZ 3.41Å; F532-F549 HydrophobicContact CE1-CE1 4.5Å; F532-F549 HydrophobicContact CE1-CZ 4.1Å; F532-F549 AromaticContact CZ-CE1 3.99Å; F532-F549 HydrophobicContact CZ-CE1 3.99Å; F532-F549 HydrophobicContact CZ-CZ 4.02Å; A543-F549 HydrophobicContact CB-CE2 4.11Å; A543-F549 HydrophobicContact CB-CZ 4.48Å; V547-F549 HydrophobicContact CG1-CD2 4.44Å; V547-F549 HydrophobicContact CG1-CE2 4.24Å; V547-F549 HydrophobicContact CG1-CZ 4.38Å; F549-E557 HydrophobicContact CE1-CG 4.3Å; F549-V581 HydrophobicContact CB-CG1 4.12Å; F549-V581 HydrophobicContact CD1-CG2 4.16Å |
| 550 | D | 77.2 | Confident | 73.7 | Confident | 59 Ų | 59 | 57.2 Ų | 57.2 | 32% | 0.316 | 27% | 0.267 | S | S | . | . | trans | -120.1 | 128.2 | 173.8 | 172 | 1.9 | 0 | 0 | 0 | 106.5 | E552 E553 R554 | D550-E552 WeakPolarHBondContact OD1-CA 3.42Å; D550-E552 WeakPolarHBondContact OD1-CB 3.4Å; D550-E552 PolarHBondContact OD1-N 2.91Å; D550-E553 HydrophobicContact CB-CB 4.08Å; D550-E553 PolarHBondContact OD1-N 2.68Å; D550-R554 PolarHBondContact O-N 2.97Å | ||
| 551 | R | 80.1 | Confident | 74 | Confident | 57 Ų | 57 | 55.7 Ų | 55.7 | 22% | 0.215 | 26% | 0.26 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -92.9 | -22.6 | -176.6 | -173.8 | -145.2 | 73.3 | 162.3 | -5.1 | 112.7 | E475 E553 P555 V581 D583 A620 | E475-R551 HydrophobicContact CG-CB 4.15Å; E475-R551 WeakPolarHBondContact OE1-CB 3.46Å; E475-R551 WeakPolarHBondContact OE1-CD 3.42Å; R551-E553 PolarHBondContact O-N 3.34Å; R551-P555 HydrophobicContact CG-CB 3.76Å; R551-V581 HydrophobicContact CB-CB 4.42Å; R551-V581 HydrophobicContact CB-CG1 3.95Å; R551-V581 HydrophobicContact CG-CB 4.48Å; R551-V581 HydrophobicContact CG-CG1 4.49Å; R551-D583 IonicContact CZ-OD1 2.79Å; R551-D583 IonicContact NE-OD1 3.92Å; R551-D583 IonicContact NH1-OD1 3.87Å; R551-D583 PolarHBondContact NH1-OD1 3.09Å; R551-D583 IonicContact NH2-OD1 2.84Å; R551-D583 PolarHBondContact NH2-OD1 2.88Å; R551-A620 VanDerWaalsContact NH2-N 3.16Å |
| 552 | E | 76.4 | Confident | 74 | Confident | 65 Ų | 65 | 58.3 Ų | 58.3 | 30% | 0.304 | 27% | 0.271 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -71 | -20.5 | 170 | -46.3 | -24.6 | -69.5 | 0 | 0 | 109.5 | D550 | D550-E552 WeakPolarHBondContact OD1-CA 3.42Å; D550-E552 WeakPolarHBondContact OD1-CB 3.4Å; D550-E552 PolarHBondContact OD1-N 2.91Å |
| 553 | E | 73.6 | Confident | 74.2 | Confident | 118 Ų | 118 | 54.6 Ų | 54.6 | 55% | 0.551 | 26% | 0.257 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -85.8 | -58.6 | 161.4 | -169 | -177.6 | -118.6 | 0 | 0 | 113.7 | R529 D550 R551 | R529-E553 IonicContact CZ-OE2 3.29Å; R529-E553 IonicContact NE-OE2 2.7Å; R529-E553 PolarHBondContact NE-OE2 3.33Å; R529-E553 IonicContact NH2-OE2 2.73Å; R529-E553 PolarHBondContact NH2-OE2 3.41Å; D550-E553 HydrophobicContact CB-CB 4.08Å; D550-E553 PolarHBondContact OD1-N 2.68Å; R551-E553 PolarHBondContact O-N 3.34Å |
| 554 | R | 73.2 | Confident | 74.3 | Confident | 85 Ų | 85 | 54.9 Ų | 54.9 | 32% | 0.321 | 26% | 0.257 | S | S | . | . | trans | -142.5 | 110.7 | -176.6 | -74.8 | -167.7 | -178.3 | -174.2 | 4.4 | 113.7 | E527 D550 E557 V581 | E527-R554 IonicContact OE2-CZ 3.57Å; E527-R554 IonicContact OE2-NH1 3.62Å; E527-R554 PolarHBondContact OE2-NH1 3.47Å; E527-R554 IonicContact OE2-NH2 2.71Å; E527-R554 PolarHBondContact OE2-NH2 2.04Å; D550-R554 PolarHBondContact O-N 2.97Å; R554-E557 WeakPolarHBondContact CD-OE2 3.33Å; R554-E557 IonicContact CZ-OE2 3.56Å; R554-E557 IonicContact NH1-OE1 2.63Å; R554-E557 IonicContact NH1-OE2 3.84Å; R554-E557 PolarHBondContact NH1-OE2 2.68Å; R554-V581 WeakPolarHBondContact O-CG2 3.33Å | ||
| 555 | P | 73.1 | Confident | 74.3 | Confident | 62 Ų | 62 | 54.8 Ų | 54.8 | 40% | 0.403 | 26% | 0.256 | S | S | . | . | S | Bend | trans | -78.7 | -15.5 | 179.3 | 28.1 | -34.1 | 0 | 0 | 0 | 116.2 | R551 V581 | R551-P555 HydrophobicContact CG-CB 3.76Å; P555-V581 PolarHBondContact O-N 3.03Å |
| 556 | F | 76 | Confident | 74.3 | Confident | 120 Ų | 120 | 57.1 Ų | 57.1 | 53% | 0.526 | 26% | 0.263 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -143.1 | 151.7 | 179.7 | -56.3 | -83.1 | 0 | 0 | 0 | 109.9 | T578 V579 T580 | F556-T578 HydrophobicContact CB-CG2 4.24Å; F556-V579 VanDerWaalsContact CA-O 3.31Å; F556-V579 WeakPolarHBondContact CA-O 3.4Å; F556-T580 HydrophobicContact CD1-CG2 3.95Å; F556-T580 HydrophobicContact CE1-CG2 3.61Å |
| 557 | E | 77.3 | Confident | 74.1 | Confident | 12 Ų | 12 | 47.8 Ų | 47.8 | 6% | 0.056 | 23% | 0.23 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -136.1 | 128.1 | 175.6 | -65.2 | -87.4 | -137.7 | 0 | 0 | 109.1 | R529 P531 F532 F549 R554 V579 | R529-E557 IonicContact CZ-OE1 3.7Å; R529-E557 IonicContact NH1-OE1 2.79Å; R529-E557 PolarHBondContact NH1-OE1 2.94Å; P531-E557 HydrophobicContact CB-CG 4.41Å; P531-E557 HydrophobicContact CG-CB 4.4Å; P531-E557 HydrophobicContact CG-CG 4.36Å; F532-E557 HydrophobicContact CE2-CB 4.02Å; F549-E557 HydrophobicContact CE1-CG 4.3Å; R554-E557 WeakPolarHBondContact CD-OE2 3.33Å; R554-E557 IonicContact CZ-OE2 3.56Å; R554-E557 IonicContact NH1-OE1 2.63Å; R554-E557 IonicContact NH1-OE2 3.84Å; R554-E557 PolarHBondContact NH1-OE2 2.68Å; E557-V579 PolarHBondContact N-O 3.04Å; E557-V579 WeakPolarHBondContact O-CB 3.04Å; E557-V579 PolarHBondContact O-N 3.48Å |
| 558 | D | 75 | Confident | 73.1 | Confident | 91 Ų | 91 | 52.4 Ų | 52.4 | 49% | 0.487 | 26% | 0.263 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.5 | 149.4 | 176.6 | -76.2 | -59.1 | 0 | 0 | 0 | 112.7 | T578 | D558-T578 WeakPolarHBondContact OD1-CA 3.23Å; D558-T578 WeakPolarHBondContact OD1-CB 3.47Å; D558-T578 VanDerWaalsContact OD1-CG2 3.27Å; D558-T578 WeakPolarHBondContact OD1-CG2 3.44Å; D558-T578 PolarHBondContact OD1-OG1 2.85Å |
| 559 | V | 80 | Confident | 72.3 | Confident | 2 Ų | 2 | 56.8 Ų | 56.8 | 1% | 0.012 | 28% | 0.275 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -137 | 127.8 | -172.7 | -177.5 | 0 | 0 | 0 | 0 | 110.5 | L521 F532 L541 V561 Q576 F577 V579 | L521-V559 HydrophobicContact CD2-CG1 3.48Å; L521-V559 VanDerWaalsContact CD2-CG1 3.48Å; F532-V559 HydrophobicContact CD2-CG2 3.4Å; F532-V559 HydrophobicContact CE2-CG2 3.6Å; F532-V559 HydrophobicContact CG-CG2 4.27Å; L541-V559 HydrophobicContact CD1-CG1 4.09Å; L541-V559 HydrophobicContact CD2-CG1 4.05Å; V559-V561 HydrophobicContact CG1-CG2 4.44Å; V559-Q576 WeakPolarHBondContact O-CA 3.47Å; V559-F577 HydrophobicContact CB-CD2 4.02Å; V559-F577 HydrophobicContact CB-CE2 3.52Å; V559-F577 HydrophobicContact CB-CZ 3.85Å; V559-F577 HydrophobicContact CG1-CE1 4.34Å; V559-F577 HydrophobicContact CG1-CE2 3.59Å; V559-F577 HydrophobicContact CG1-CZ 3.45Å; V559-F577 VanDerWaalsContact CG1-CZ 3.45Å; V559-F577 HydrophobicContact CG2-CE2 4.21Å; V559-F577 PolarHBondContact N-O 2.88Å; V559-F577 PolarHBondContact O-N 3.38Å; V559-V579 HydrophobicContact CG2-CG2 3.7Å |
| 560 | I | 81 | Confident | 71.1 | Confident | 38 Ų | 38 | 59.2 Ų | 59.2 | 20% | 0.195 | 29% | 0.291 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.1 | 126.5 | 178.4 | -55 | 173.4 | 0 | 0 | 0 | 109 | L521 Y522 F574 C575 Q576 | L521-I560 WeakPolarHBondContact CD2-O 3.42Å; Y522-I560 HydrophobicContact CD1-CB 4.31Å; Y522-I560 HydrophobicContact CD1-CD1 4.1Å; Y522-I560 HydrophobicContact CD1-CG2 4.11Å; Y522-I560 HydrophobicContact CG-CG2 4.42Å; Y522-I560 PolarHBondContact N-O 2.8Å; I560-F574 HydrophobicContact CG2-CD1 4.26Å; I560-C575 CarbonylContact C-O 3.59Å; I560-C575 WeakPolarHBondContact CA-O 3.27Å; I560-Q576 HydrophobicContact CG1-CB 4.08Å; I560-Q576 HydrophobicContact CG1-CG 3.86Å |
| 561 | V | 78.1 | Confident | 70.4 | Confident | 0 Ų | 0 | 59.8 Ų | 59.8 | 0% | 0 | 29% | 0.294 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.3 | 141.8 | 177.4 | -171.8 | 0 | 0 | 0 | 0 | 110.3 | F461 V504 S520 L521 I534 V559 F574 C575 F577 | F461-V561 HydrophobicContact CZ-CG1 4.11Å; V504-V561 HydrophobicContact CG2-CB 4.44Å; V504-V561 HydrophobicContact CG2-CG1 3.81Å; S520-V561 WeakPolarHBondContact O-CA 3.38Å; S520-V561 WeakPolarHBondContact O-CG1 3.44Å; L521-V561 HydrophobicContact CD2-CG2 4.06Å; I534-V561 HydrophobicContact CD1-CB 4.4Å; I534-V561 HydrophobicContact CD1-CG1 3.45Å; I534-V561 VanDerWaalsContact CD1-CG1 3.45Å; I534-V561 HydrophobicContact CD1-CG2 3.96Å; V559-V561 HydrophobicContact CG1-CG2 4.44Å; V561-F574 CarbonylContact O-C 3.55Å; V561-F574 VanDerWaalsContact O-CA 3.3Å; V561-F574 WeakPolarHBondContact O-CA 3.28Å; V561-C575 PolarHBondContact N-O 3.46Å; V561-C575 PolarHBondContact O-N 2.83Å; V561-F577 HydrophobicContact CG2-CE1 3.77Å; V561-F577 HydrophobicContact CG2-CZ 3.88Å |
| 562 | K | 79.2 | Confident | 69.7 | Low | 57 Ų | 57 | 60.1 Ų | 60.1 | 25% | 0.248 | 30% | 0.299 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.4 | 139.8 | -179 | 171.4 | 179.2 | 169.9 | 173.8 | 0 | 110.4 | Y519 S520 T564 I572 G573 F574 | Y519-K562 CarbonylContact C-O 3.45Å; Y519-K562 VanDerWaalsContact CA-O 3.31Å; Y519-K562 WeakPolarHBondContact CA-O 3.25Å; S520-K562 PolarHBondContact N-O 3.35Å; S520-K562 PolarHBondContact O-N 3.49Å; K562-T564 WeakPolarHBondContact CE-OG1 2.99Å; K562-I572 HydrophobicContact CD-CG2 4.12Å; K562-I572 HydrophobicContact CG-CG2 3.83Å; K562-G573 CarbonylContact C-O 3.43Å; K562-G573 WeakPolarHBondContact CA-O 3.31Å; K562-F574 HydrophobicContact CB-CD1 3.82Å; K562-F574 HydrophobicContact CB-CE1 3.76Å; K562-F574 HydrophobicContact CD-CE1 3.86Å; K562-F574 HydrophobicContact CD-CZ 4.01Å; K562-F574 HydrophobicContact CG-CD1 4.23Å; K562-F574 HydrophobicContact CG-CE1 3.86Å; K562-F574 HydrophobicContact CG-CZ 4.21Å |
| 563 | A | 75.2 | Confident | 69.7 | Low | 0 Ų | 0 | 57.5 Ų | 57.5 | 0% | 0 | 29% | 0.29 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118 | 149.2 | 168.1 | 0 | 0 | 0 | 0 | 0 | 110 | F461 A506 I517 I518 Y519 I572 G573 | F461-A563 HydrophobicContact CD2-CB 4.31Å; F461-A563 HydrophobicContact CE1-CB 4.27Å; F461-A563 HydrophobicContact CE2-CB 3.49Å; F461-A563 VanDerWaalsContact CE2-CB 3.49Å; F461-A563 HydrophobicContact CZ-CB 3.46Å; F461-A563 VanDerWaalsContact CZ-CB 3.46Å; A506-A563 HydrophobicContact CB-CB 3.86Å; I517-A563 HydrophobicContact CG2-CB 4.08Å; I518-A563 CarbonylContact O-C 3.55Å; I518-A563 VanDerWaalsContact O-CA 3.29Å; I518-A563 WeakPolarHBondContact O-CA 3.16Å; Y519-A563 HydrophobicContact CD1-CB 4.05Å; Y519-A563 HydrophobicContact CE1-CB 4.11Å; A563-I572 WeakPolarHBondContact O-CA 3.42Å; A563-I572 WeakPolarHBondContact O-CG2 3.34Å; A563-G573 PolarHBondContact N-O 3.38Å; A563-G573 PolarHBondContact O-N 3.12Å |
| 564 | T | 75.7 | Confident | 69.8 | Low | 21 Ų | 21 | 57.1 Ų | 57.1 | 13% | 0.129 | 29% | 0.286 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -154.1 | 137.1 | -173.8 | -56.7 | 0 | 0 | 0 | 0 | 110.9 | I517 I518 K562 P570 L571 I572 | I517-T564 CarbonylContact C-O 3.17Å; I517-T564 VanDerWaalsContact CA-O 3.29Å; I517-T564 WeakPolarHBondContact CA-O 3.32Å; I518-T564 PolarHBondContact N-O 3.49Å; I518-T564 PolarHBondContact O-N 3.12Å; K562-T564 WeakPolarHBondContact CE-OG1 2.99Å; T564-P570 HydrophobicContact CG2-CB 3.75Å; T564-P570 HydrophobicContact CG2-CG 3.95Å; T564-L571 WeakPolarHBondContact CA-O 3.37Å; T564-I572 HydrophobicContact CG2-CG1 3.9Å |
| 565 | D | 70.4 | Confident | 70 | Confident | 5 Ų | 5 | 53.4 Ų | 53.4 | 3% | 0.027 | 27% | 0.273 | C | S | . | . | trans | -78.3 | -167.2 | 174.4 | 72.3 | 76.5 | 0 | 0 | 0 | 113.2 | P459 D516 G567 P570 L571 | P459-D565 HydrophobicContact CG-CB 4.1Å; D516-D565 CarbonylContact O-C 3.57Å; D516-D565 VanDerWaalsContact O-C 3.25Å; D516-D565 VanDerWaalsContact O-CA 3.26Å; D516-D565 WeakPolarHBondContact O-CA 3.31Å; D565-G567 WeakPolarHBondContact OD1-CA 3.45Å; D565-G567 PolarHBondContact OD1-N 3.21Å; D565-P570 VanDerWaalsContact O-CB 3.27Å; D565-P570 WeakPolarHBondContact O-CB 3.21Å; D565-P570 WeakPolarHBondContact OD1-CA 3.13Å; D565-P570 WeakPolarHBondContact OD1-CB 3.4Å; D565-L571 PolarHBondContact N-O 2.71Å; D565-L571 VanDerWaalsContact N-O 3.16Å; D565-L571 WeakPolarHBondContact OD2-CA 3.21Å; D565-L571 WeakPolarHBondContact OD2-CB 3.47Å; D565-L571 PolarHBondContact OD2-N 3.24Å | ||
| 566 | K | 58.2 | Low | 70.3 | Confident | 74 Ų | 74 | 55.7 Ų | 55.7 | 32% | 0.322 | 28% | 0.278 | S | S | . | . | trans | -123.3 | 21.5 | -176.4 | -72 | 162.5 | -141.3 | 153 | 0 | 113 | Q513 D516 I517 I518 | Q513-K566 WeakPolarHBondContact CB-O 3.23Å; Q513-K566 WeakPolarHBondContact CG-O 3.36Å; Q513-K566 PolarHBondContact NE2-O 3.38Å; Q513-K566 CarbonylContact O-C 3.55Å; Q513-K566 PolarHBondContact O-N 2.91Å; D516-K566 HydrophobicContact CB-CB 4.49Å; D516-K566 HydrophobicContact CB-CD 4.22Å; D516-K566 VanDerWaalsContact O-CD 3.29Å; D516-K566 WeakPolarHBondContact O-CD 3.17Å; D516-K566 WeakPolarHBondContact O-CE 3.39Å; D516-K566 WeakPolarHBondContact O-CG 3.37Å; D516-K566 PolarHBondContact O-N 2.79Å; D516-K566 VanDerWaalsContact O-N 3.09Å; D516-K566 IonicContact OD1-NZ 3.65Å; D516-K566 PolarHBondContact OD1-NZ 3.14Å; D516-K566 VanDerWaalsContact OD2-CD 3.31Å; D516-K566 WeakPolarHBondContact OD2-CD 3.15Å; D516-K566 IonicContact OD2-NZ 3.17Å; D516-K566 PolarHBondContact OD2-NZ 2.9Å; I517-K566 WeakPolarHBondContact O-CE 3.35Å; I517-K566 PolarHBondContact O-NZ 3.01Å; I518-K566 HydrophobicContact CD1-CD 4.32Å; I518-K566 HydrophobicContact CD1-CG 4.06Å; I518-K566 HydrophobicContact CG1-CD 4.42Å; I518-K566 HydrophobicContact CG1-CG 4.36Å | ||
| 567 | G | 57.4 | Low | 70.3 | Confident | 9 Ų | 9 | 50.1 Ų | 50.1 | 9% | 0.093 | 25% | 0.254 | C | S | . | . | S | Bend | trans | -58.8 | 161.4 | 172 | 0 | 0 | 0 | 0 | 0 | 112.3 | Q513 N514 D565 R569 P570 | Q513-G567 PolarHBondContact O-N 3.43Å; N514-G567 WeakPolarHBondContact OD1-CA 3.4Å; D565-G567 WeakPolarHBondContact OD1-CA 3.45Å; D565-G567 PolarHBondContact OD1-N 3.21Å; G567-R569 PolarHBondContact O-N 3.31Å; G567-P570 WeakPolarHBondContact O-CD 3.46Å |
| 568 | S | 46.9 | Very low | 70.4 | Confident | 114 Ų | 114 | 51.9 Ų | 51.9 | 80% | 0.797 | 27% | 0.266 | S | S | * | . | S | Bend | trans | -66.2 | -18.6 | 174.9 | 55 | 0 | 0 | 0 | 0 | 113 | ||
| 569 | R | 54.3 | Low | 70.7 | Confident | 199 Ų | 199 | 47.6 Ų | 47.6 | 75% | 0.751 | 24% | 0.243 | S | C | * | . | S | Bend | trans | -133.9 | 96.9 | 157.3 | -61.1 | -172.6 | -168.1 | -144.6 | 9.5 | 106.4 | G567 | G567-R569 PolarHBondContact O-N 3.31Š|
| 570 | P | 54.4 | Low | 70.5 | Confident | 56 Ų | 56 | 49.4 Ų | 49.4 | 36% | 0.364 | 25% | 0.254 | S | S | . | . | trans | -79.5 | 140.3 | -170.2 | 32.4 | -35.1 | 0 | 0 | 0 | 111.3 | T564 D565 G567 | T564-P570 HydrophobicContact CG2-CB 3.75Å; T564-P570 HydrophobicContact CG2-CG 3.95Å; D565-P570 VanDerWaalsContact O-CB 3.27Å; D565-P570 WeakPolarHBondContact O-CB 3.21Å; D565-P570 WeakPolarHBondContact OD1-CA 3.13Å; D565-P570 WeakPolarHBondContact OD1-CB 3.4Å; G567-P570 WeakPolarHBondContact O-CD 3.46Å | ||
| 571 | L | 64 | Low | 70.4 | Confident | 71 Ų | 71 | 48 Ų | 48 | 37% | 0.372 | 25% | 0.247 | S | C | . | . | trans | -92.5 | 159.8 | 177.7 | -68.6 | 160 | 0 | 0 | 0 | 110.4 | N457 K458 P459 T564 D565 | N457-L571 WeakPolarHBondContact O-CD1 3.26Å; K458-L571 HydrophobicContact CB-CB 3.8Å; K458-L571 HydrophobicContact CB-CD1 4.22Å; K458-L571 HydrophobicContact CB-CG 4.49Å; P459-L571 WeakPolarHBondContact CG-O 3.28Å; T564-L571 WeakPolarHBondContact CA-O 3.37Å; D565-L571 PolarHBondContact N-O 2.71Å; D565-L571 VanDerWaalsContact N-O 3.16Å; D565-L571 WeakPolarHBondContact OD2-CA 3.21Å; D565-L571 WeakPolarHBondContact OD2-CB 3.47Å; D565-L571 PolarHBondContact OD2-N 3.24Å | ||
| 572 | I | 65.2 | Low | 70.1 | Confident | 64 Ų | 64 | 52.2 Ų | 52.2 | 33% | 0.328 | 27% | 0.269 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -138.8 | 137.1 | -154.5 | -60.3 | 172.5 | 0 | 0 | 0 | 110.7 | K562 A563 T564 F574 | K562-I572 HydrophobicContact CD-CG2 4.12Å; K562-I572 HydrophobicContact CG-CG2 3.83Å; A563-I572 WeakPolarHBondContact O-CA 3.42Å; A563-I572 WeakPolarHBondContact O-CG2 3.34Å; T564-I572 HydrophobicContact CG2-CG1 3.9Å; I572-F574 HydrophobicContact CG2-CD2 3.92Å; I572-F574 HydrophobicContact CG2-CE2 3.4Å; I572-F574 VanDerWaalsContact CG2-CE2 3.4Å; I572-F574 HydrophobicContact CG2-CZ 3.82Å |
| 573 | G | 75.7 | Confident | 69.9 | Low | 10 Ų | 10 | 52 Ų | 52 | 10% | 0.103 | 27% | 0.271 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.4 | 159.4 | 166.3 | 0 | 0 | 0 | 0 | 0 | 111.8 | K562 A563 | K562-G573 CarbonylContact C-O 3.43Å; K562-G573 WeakPolarHBondContact CA-O 3.31Å; A563-G573 PolarHBondContact N-O 3.38Å; A563-G573 PolarHBondContact O-N 3.12Å |
| 574 | F | 76.6 | Confident | 69.9 | Low | 110 Ų | 110 | 58.2 Ų | 58.2 | 48% | 0.482 | 30% | 0.3 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -137 | 161.3 | 178.1 | -70.6 | -88.4 | 0 | 0 | 0 | 111.8 | F461 Y522 I560 V561 K562 I572 | F461-F574 WeakPolarHBondContact CD2-O 3.41Å; Y522-F574 HydrophobicContact CD2-CE1 4.38Å; Y522-F574 HydrophobicContact CG-CE1 4.4Å; I560-F574 HydrophobicContact CG2-CD1 4.26Å; V561-F574 CarbonylContact O-C 3.55Å; V561-F574 VanDerWaalsContact O-CA 3.3Å; V561-F574 WeakPolarHBondContact O-CA 3.28Å; K562-F574 HydrophobicContact CB-CD1 3.82Å; K562-F574 HydrophobicContact CB-CE1 3.76Å; K562-F574 HydrophobicContact CD-CE1 3.86Å; K562-F574 HydrophobicContact CD-CZ 4.01Å; K562-F574 HydrophobicContact CG-CD1 4.23Å; K562-F574 HydrophobicContact CG-CE1 3.86Å; K562-F574 HydrophobicContact CG-CZ 4.21Å; I572-F574 HydrophobicContact CG2-CD2 3.92Å; I572-F574 HydrophobicContact CG2-CE2 3.4Å; I572-F574 VanDerWaalsContact CG2-CE2 3.4Å; I572-F574 HydrophobicContact CG2-CZ 3.82Å |
| 575 | C | 76.4 | Confident | 69.7 | Low | 6 Ų | 6 | 57.9 Ų | 57.9 | 4% | 0.041 | 30% | 0.297 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -154.9 | 140.6 | 172.9 | 171.2 | 0 | 0 | 0 | 0 | 110.5 | F461 C464 Y467 I560 V561 | F461-C575 HydrophobicContact CB-CB 4.48Å; F461-C575 HydrophobicContact CD1-CB 4.42Å; F461-C575 HydrophobicContact CD2-CB 4.13Å; F461-C575 HydrophobicContact CE2-CB 4.4Å; F461-C575 HydrophobicContact CG-CB 4.13Å; C464-C575 VanDerWaalsContact CA-SG 3.51Å; C464-C575 HydrophobicContact CB-CB 3.94Å; C464-C575 WeakPolarHBondContact CB-SG 3.43Å; C464-C575 WeakPolarHBondContact SG-CA 3.42Å; C464-C575 WeakPolarHBondContact SG-CB 3.38Å; C464-C575 CovalentContact SG-SG 2.04Å; C464-C575 PolarHBondContact SG-SG 3.19Å; Y467-C575 VanDerWaalsContact CD2-SG 3.57Å; I560-C575 CarbonylContact C-O 3.59Å; I560-C575 WeakPolarHBondContact CA-O 3.27Å; V561-C575 PolarHBondContact N-O 3.46Å; V561-C575 PolarHBondContact O-N 2.83Å |
| 576 | Q | 79.7 | Confident | 69.9 | Low | 110 Ų | 110 | 61.7 Ų | 61.7 | 51% | 0.514 | 32% | 0.318 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.5 | 141.6 | -174.9 | 175.1 | 168.1 | -29.4 | 0 | 0 | 112.2 | C464 V559 I560 | C464-Q576 PolarHBondContact SG-N 2.88Å; V559-Q576 WeakPolarHBondContact O-CA 3.47Å; I560-Q576 HydrophobicContact CG1-CB 4.08Å; I560-Q576 HydrophobicContact CG1-CG 3.86Å |
| 577 | F | 76.7 | Confident | 70.7 | Confident | 3 Ų | 3 | 60 Ų | 60 | 1% | 0.013 | 31% | 0.312 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -161.6 | 159.9 | 178.8 | 52.7 | -90.2 | 0 | 0 | 0 | 113.1 | Y467 S468 L502 L541 V559 V561 | Y467-F577 AromaticContact CD2-CD1 3.81Å; Y467-F577 HydrophobicContact CD2-CD1 3.81Å; Y467-F577 HydrophobicContact CD2-CE1 4.08Å; Y467-F577 HydrophobicContact CG-CD1 4.23Å; S468-F577 WeakPolarHBondContact OG-CA 2.99Å; S468-F577 WeakPolarHBondContact OG-CB 3.47Å; L502-F577 HydrophobicContact CD2-CD1 4.21Å; L502-F577 HydrophobicContact CD2-CD2 3.9Å; L502-F577 HydrophobicContact CD2-CE1 3.71Å; L502-F577 HydrophobicContact CD2-CE2 3.35Å; L502-F577 HydrophobicContact CD2-CG 4.32Å; L502-F577 HydrophobicContact CD2-CZ 3.27Å; L541-F577 HydrophobicContact CD2-CE2 3.74Å; L541-F577 HydrophobicContact CD2-CZ 3.95Å; V559-F577 HydrophobicContact CB-CD2 4.02Å; V559-F577 HydrophobicContact CB-CE2 3.52Å; V559-F577 HydrophobicContact CB-CZ 3.85Å; V559-F577 HydrophobicContact CG1-CE1 4.34Å; V559-F577 HydrophobicContact CG1-CE2 3.59Å; V559-F577 HydrophobicContact CG1-CZ 3.45Å; V559-F577 VanDerWaalsContact CG1-CZ 3.45Å; V559-F577 HydrophobicContact CG2-CE2 4.21Å; V559-F577 PolarHBondContact N-O 2.88Å; V559-F577 PolarHBondContact O-N 3.38Å; V561-F577 HydrophobicContact CG2-CE1 3.77Å; V561-F577 HydrophobicContact CG2-CZ 3.88Å |
| 578 | T | 79.1 | Confident | 71.5 | Confident | 50 Ų | 50 | 61.4 Ų | 61.4 | 31% | 0.307 | 32% | 0.323 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -106 | 149.5 | -174.5 | -42.8 | 0 | 0 | 0 | 0 | 113 | S468 F556 D558 | S468-T578 PolarHBondContact OG-N 2.74Å; S468-T578 VanDerWaalsContact OG-N 3.17Å; F556-T578 HydrophobicContact CB-CG2 4.24Å; D558-T578 WeakPolarHBondContact OD1-CA 3.23Å; D558-T578 WeakPolarHBondContact OD1-CB 3.47Å; D558-T578 VanDerWaalsContact OD1-CG2 3.27Å; D558-T578 WeakPolarHBondContact OD1-CG2 3.44Å; D558-T578 PolarHBondContact OD1-OG1 2.85Å |
| 579 | V | 80.2 | Confident | 73.3 | Confident | 0 Ų | 0 | 56 Ų | 56 | 0% | 0 | 29% | 0.285 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.4 | 141.6 | 177.1 | -167.9 | 0 | 0 | 0 | 0 | 110.8 | A471 V473 F532 F556 E557 V559 | A471-V579 HydrophobicContact CB-CB 4.37Å; A471-V579 HydrophobicContact CB-CG1 4.13Å; A471-V579 HydrophobicContact CB-CG2 3.83Å; V473-V579 HydrophobicContact CG1-CG1 4.33Å; F532-V579 HydrophobicContact CE1-CG1 4.31Å; F532-V579 HydrophobicContact CE2-CB 4.24Å; F532-V579 HydrophobicContact CE2-CG2 3.91Å; F532-V579 HydrophobicContact CZ-CB 3.88Å; F532-V579 HydrophobicContact CZ-CG1 3.73Å; F532-V579 HydrophobicContact CZ-CG2 3.79Å; F556-V579 VanDerWaalsContact CA-O 3.31Å; F556-V579 WeakPolarHBondContact CA-O 3.4Å; E557-V579 PolarHBondContact N-O 3.04Å; E557-V579 WeakPolarHBondContact O-CB 3.04Å; E557-V579 PolarHBondContact O-N 3.48Å; V559-V579 HydrophobicContact CG2-CG2 3.7Å |
| 580 | T | 75.2 | Confident | 74.5 | Confident | 41 Ų | 41 | 53.3 Ų | 53.3 | 25% | 0.252 | 28% | 0.281 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.9 | 140.4 | 179.8 | -47.3 | 0 | 0 | 0 | 0 | 113.4 | K472 V473 F556 | K472-T580 WeakPolarHBondContact CA-O 3.38Å; V473-T580 PolarHBondContact N-O 2.78Å; F556-T580 HydrophobicContact CD1-CG2 3.95Å; F556-T580 HydrophobicContact CE1-CG2 3.61Å |
| 581 | V | 80.7 | Confident | 75.8 | Confident | 9 Ų | 9 | 51.4 Ų | 51.4 | 6% | 0.055 | 27% | 0.267 | C | S | . | . | trans | -98.6 | 159.1 | 176.2 | -170.1 | 0 | 0 | 0 | 0 | 111.6 | V473 E475 F549 R551 R554 P555 | V473-V581 HydrophobicContact CG1-CG2 3.98Å; V473-V581 WeakPolarHBondContact O-CA 3.29Å; E475-V581 HydrophobicContact CG-CG1 3.83Å; F549-V581 HydrophobicContact CB-CG1 4.12Å; F549-V581 HydrophobicContact CD1-CG2 4.16Å; R551-V581 HydrophobicContact CB-CB 4.42Å; R551-V581 HydrophobicContact CB-CG1 3.95Å; R551-V581 HydrophobicContact CG-CB 4.48Å; R551-V581 HydrophobicContact CG-CG1 4.49Å; R554-V581 WeakPolarHBondContact O-CG2 3.33Å; P555-V581 PolarHBondContact O-N 3.03Å | ||
| 582 | L | 71.8 | Confident | 76.2 | Confident | 88 Ų | 88 | 52.2 Ų | 52.2 | 46% | 0.461 | 27% | 0.272 | S | S | . | . | trans | -139.2 | 121.3 | -167.3 | -57.9 | 171.9 | 0 | 0 | 0 | 116.2 | V473 E475 | V473-L582 PolarHBondContact O-N 3.09Å; E475-L582 VanDerWaalsContact CD-C 3.43Å; E475-L582 PolarHBondContact N-O 3.49Å | ||
| 583 | D | 74.2 | Confident | 76.4 | Confident | 53 Ų | 53 | 56.3 Ų | 56.3 | 28% | 0.283 | 28% | 0.283 | S | S | . | . | trans | -53.4 | 121.8 | -171.3 | -175 | 87.6 | 0 | 0 | 0 | 117.6 | E475 R551 A620 N623 | E475-D583 WeakPolarHBondContact OE1-CA 3.37Å; E475-D583 PolarHBondContact OE1-N 3.3Å; E475-D583 WeakPolarHBondContact OE2-CA 3.18Å; R551-D583 IonicContact CZ-OD1 2.79Å; R551-D583 IonicContact NE-OD1 3.92Å; R551-D583 IonicContact NH1-OD1 3.87Å; R551-D583 PolarHBondContact NH1-OD1 3.09Å; R551-D583 IonicContact NH2-OD1 2.84Å; R551-D583 PolarHBondContact NH2-OD1 2.88Å; D583-A620 VanDerWaalsContact CG-CB 3.48Å; D583-A620 WeakPolarHBondContact OD1-CB 3.17Å; D583-A620 PolarHBondContact OD1-N 3.09Å; D583-A620 VanDerWaalsContact OD1-N 3.16Å; D583-A620 WeakPolarHBondContact OD2-CB 3.29Å; D583-N623 PolarHBondContact OD2-ND2 2.91Å | ||
| 584 | E | 74.7 | Confident | 76.3 | Confident | 130 Ų | 130 | 59.3 Ų | 59.3 | 61% | 0.607 | 31% | 0.314 | S | S | * | . | trans | -109 | 174.6 | 164.1 | -73.2 | -82.9 | 150.8 | 0 | 0 | 111.2 | E475 N623 | E475-E584 HydrophobicContact CB-CG 4.23Å; E475-E584 PolarHBondContact OE2-N 2.7Å; E584-N623 PolarHBondContact O-ND2 3.09Å | ||
| 585 | N | 72.7 | Confident | 76.2 | Confident | 14 Ų | 14 | 57.9 Ų | 57.9 | 8% | 0.075 | 31% | 0.314 | C | S | . | . | trans | -104.5 | 83.2 | 178.3 | -164.9 | 119 | 0 | 0 | 0 | 111.8 | D619 N623 G678 R682 | N585-D619 VanDerWaalsContact CA-OD2 3.29Å; N585-D619 WeakPolarHBondContact CA-OD2 3.37Å; N585-D619 PolarHBondContact ND2-OD2 3.07Å; N585-D619 VanDerWaalsContact ND2-OD2 3.1Å; N585-D619 PolarHBondContact OD1-OD2 3.05Å; N585-N623 HydrophobicContact CB-CB 4.34Å; N585-N623 WeakPolarHBondContact OD1-CA 3.26Å; N585-N623 WeakPolarHBondContact OD1-CB 3.31Å; N585-G678 WeakPolarHBondContact OD1-CA 3.27Å; N585-R682 PolarHBondContact O-NE 3.18Å; N585-R682 VanDerWaalsContact O-NE 3.13Å | ||
| 586 | D | 74.2 | Confident | 76.3 | Confident | 84 Ų | 84 | 58 Ų | 58 | 45% | 0.449 | 31% | 0.314 | S | S | . | . | trans | -109.9 | -23.4 | -165.3 | 153.5 | -82.6 | 0 | 0 | 0 | 114.5 | D619 R682 | D586-D619 PolarHBondContact N-OD1 3.14Å; D586-D619 PolarHBondContact N-OD2 2.74Å; D586-R682 PolarHBondContact O-NH1 2.77Å; D586-R682 PolarHBondContact O-NH2 2.72Å; D586-R682 VanDerWaalsContact O-NH2 3.14Å | ||
| 587 | N | 75.4 | Confident | 76.1 | Confident | 39 Ų | 39 | 59.4 Ų | 59.4 | 21% | 0.209 | 32% | 0.321 | C | S | . | . | trans | -87.5 | 173.3 | 174.6 | -68.6 | -94.6 | 0 | 0 | 0 | 112.2 | D617 R618 D619 R682 | N587-D617 WeakPolarHBondContact CB-OD1 2.72Å; N587-R618 HydrophobicContact CB-CB 4.12Å; N587-D619 WeakPolarHBondContact CB-OD1 3.25Å; N587-D619 PolarHBondContact N-OD1 2.95Å; N587-D619 PolarHBondContact N-OD2 2.88Å; N587-D619 PolarHBondContact ND2-OD1 2.79Å; N587-R682 WeakPolarHBondContact O-CD 3.37Å | ||
| 588 | A | 74.7 | Confident | 76 | Confident | 39 Ų | 39 | 60.3 Ų | 60.3 | 32% | 0.322 | 33% | 0.331 | S | S | . | . | trans | -144.3 | 144.5 | 176.7 | 0 | 0 | 0 | 0 | 0 | 109.9 | E590 R682 | A588-E590 PolarHBondContact O-N 3.2Å; A588-R682 HydrophobicContact CB-CB 3.79Å | ||
| 589 | P | 84 | Confident | 75.4 | Confident | 0 Ų | 0 | 59.8 Ų | 59.8 | 0% | 0 | 33% | 0.329 | C | S | . | . | P | Polyproline II helix | trans | -69.2 | 121 | -167.7 | 25 | -34.9 | 0 | 0 | 0 | 112.6 | A615 D616 D617 I626 A674 D676 T684 | P589-A615 HydrophobicContact CB-CB 4.48Å; P589-D616 CarbonylContact C-O 3.6Å; P589-D616 VanDerWaalsContact CA-O 3.3Å; P589-D616 WeakPolarHBondContact CA-O 3.4Å; P589-D617 HydrophobicContact CB-CB 4.1Å; P589-D617 WeakPolarHBondContact CD-OD2 3.42Å; P589-I626 HydrophobicContact CB-CB 4.46Å; P589-I626 HydrophobicContact CB-CD1 3.72Å; P589-I626 HydrophobicContact CB-CG1 3.84Å; P589-I626 HydrophobicContact CB-CG2 3.84Å; P589-I626 HydrophobicContact CG-CG2 4.29Å; P589-A674 HydrophobicContact CB-CB 4.15Å; P589-A674 HydrophobicContact CG-CB 4.12Å; P589-D676 WeakPolarHBondContact CD-OD2 3.46Å; P589-D676 HydrophobicContact CG-CB 4.35Å; P589-T684 WeakPolarHBondContact O-CB 3.29Å; P589-T684 PolarHBondContact O-OG1 3.35Å |
| 590 | E | 79.2 | Confident | 75.1 | Confident | 142 Ų | 142 | 60.2 Ų | 60.2 | 66% | 0.664 | 33% | 0.331 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -99.4 | 133.2 | -176.3 | -175.9 | 175.2 | -157 | 0 | 0 | 111.8 | A588 A615 D616 | A588-E590 PolarHBondContact O-N 3.2Å; E590-A615 CarbonylContact O-C 3.58Å; E590-A615 WeakPolarHBondContact O-CA 3.4Å; E590-A615 WeakPolarHBondContact O-CB 3.48Å; E590-D616 PolarHBondContact N-O 3.26Å; E590-D616 PolarHBondContact O-N 2.73Å |
| 591 | F | 81.7 | Confident | 74.6 | Confident | 17 Ų | 17 | 59.3 Ų | 59.3 | 8% | 0.075 | 33% | 0.327 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -78.7 | 144.2 | 179.5 | -79.4 | -80.9 | 0 | 0 | 0 | 113.5 | R593 Y596 V613 F614 A615 Y628 A672 A674 T684 V686 | F591-R593 PolarHBondContact O-N 3.21Å; F591-Y596 HydrophobicContact CD1-CE2 4.08Å; F591-V613 HydrophobicContact CD1-CB 4.15Å; F591-V613 HydrophobicContact CD1-CG2 4.47Å; F591-V613 HydrophobicContact CE1-CB 3.82Å; F591-V613 HydrophobicContact CE1-CG2 3.68Å; F591-F614 CarbonylContact C-O 3.58Å; F591-F614 VanDerWaalsContact CA-O 3.27Å; F591-F614 WeakPolarHBondContact CA-O 3.5Å; F591-F614 WeakPolarHBondContact CD1-O 3.15Å; F591-A615 HydrophobicContact CD1-CB 3.97Å; F591-A615 HydrophobicContact CE1-CB 4.35Å; F591-A615 HydrophobicContact CG-CB 4.15Å; F591-Y628 HydrophobicContact CD1-CE1 4.46Å; F591-Y628 AromaticContact CE1-CD1 3.84Å; F591-Y628 HydrophobicContact CE1-CD1 3.84Å; F591-Y628 AromaticContact CE1-CE1 3.76Å; F591-Y628 HydrophobicContact CE1-CE1 3.76Å; F591-Y628 HydrophobicContact CZ-CD1 4.17Å; F591-Y628 HydrophobicContact CZ-CE1 4.39Å; F591-A672 HydrophobicContact CZ-CB 4.28Å; F591-A674 HydrophobicContact CD2-CB 4.28Å; F591-A674 HydrophobicContact CE1-CB 4.1Å; F591-A674 HydrophobicContact CE2-CB 3.61Å; F591-A674 HydrophobicContact CZ-CB 3.52Å; F591-A674 VanDerWaalsContact CZ-N 3.33Å; F591-T684 HydrophobicContact CD2-CG2 4.26Å; F591-V686 HydrophobicContact CB-CB 4.38Å; F591-V686 HydrophobicContact CD1-CG1 3.83Å; F591-V686 HydrophobicContact CD2-CB 3.69Å; F591-V686 HydrophobicContact CD2-CG1 3.65Å; F591-V686 HydrophobicContact CE1-CG1 3.76Å; F591-V686 HydrophobicContact CE2-CB 3.97Å; F591-V686 HydrophobicContact CE2-CG1 3.55Å; F591-V686 HydrophobicContact CG-CB 3.97Å; F591-V686 HydrophobicContact CG-CG1 3.78Å; F591-V686 HydrophobicContact CZ-CB 4.49Å; F591-V686 HydrophobicContact CZ-CG1 3.6Å |
| 592 | D | 71.7 | Confident | 74.1 | Confident | 88 Ų | 88 | 61.1 Ų | 61.1 | 47% | 0.471 | 33% | 0.332 | S | S | . | . | S | Bend | trans | -62.1 | -10.9 | 179.5 | 87.1 | -63 | 0 | 0 | 0 | 114.7 | Y596 F614 | D592-Y596 WeakPolarHBondContact OD1-CE1 3.34Å; D592-Y596 VanDerWaalsContact OD1-CZ 3.26Å; D592-Y596 PolarHBondContact OD1-OH 3.28Å; D592-F614 HydrophobicContact CB-CD1 4.34Å; D592-F614 PolarHBondContact N-O 3.38Å |
| 593 | R | 69.9 | Low | 73.6 | Confident | 149 Ų | 149 | 61.2 Ų | 61.2 | 56% | 0.562 | 34% | 0.341 | S | S | * | . | trans | -147.4 | 138.4 | -178.4 | -59.9 | 176.8 | -171 | -139.9 | -11.7 | 111.1 | F591 T595 Y596 V686 | F591-R593 PolarHBondContact O-N 3.21Å; R593-T595 VanDerWaalsContact C-N 3.26Å; R593-T595 WeakPolarHBondContact CB-O 3.37Å; R593-T595 PolarHBondContact O-N 2.7Å; R593-Y596 HydrophobicContact CB-CE1 4.17Å; R593-Y596 HydrophobicContact CB-CE2 4.22Å; R593-Y596 HydrophobicContact CG-CE1 4.16Å; R593-V686 WeakPolarHBondContact O-CG2 3.29Å | ||
| 594 | G | 73.8 | Confident | 73.4 | Confident | 73 Ų | 73 | 60.3 Ų | 60.3 | 75% | 0.753 | 34% | 0.337 | S | S | * | . | S | Bend | trans | -67.9 | -20.8 | 172.2 | 0 | 0 | 0 | 0 | 0 | 114.7 | V686 | G594-V686 WeakPolarHBondContact O-CG2 3.17Š|
| 595 | T | 74.5 | Confident | 72.9 | Confident | 80 Ų | 80 | 58.2 Ų | 58.2 | 49% | 0.491 | 34% | 0.335 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -149.4 | 147.5 | 171 | 57.5 | 0 | 0 | 0 | 0 | 110.9 | R593 R687 | R593-T595 VanDerWaalsContact C-N 3.26Å; R593-T595 WeakPolarHBondContact CB-O 3.37Å; R593-T595 PolarHBondContact O-N 2.7Å; T595-R687 WeakPolarHBondContact CA-O 3.19Å; T595-R687 HydrophobicContact CG2-CB 4.32Å |
| 596 | Y | 77.5 | Confident | 73.2 | Confident | 10 Ų | 10 | 62.1 Ų | 62.1 | 4% | 0.039 | 35% | 0.354 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.3 | 116.5 | 170.5 | -64.4 | -95.4 | 0 | 0 | 0 | 110.2 | F591 D592 R593 L611 V613 F614 V686 R687 V688 T689 | F591-Y596 HydrophobicContact CD1-CE2 4.08Å; D592-Y596 WeakPolarHBondContact OD1-CE1 3.34Å; D592-Y596 VanDerWaalsContact OD1-CZ 3.26Å; D592-Y596 PolarHBondContact OD1-OH 3.28Å; R593-Y596 HydrophobicContact CB-CE1 4.17Å; R593-Y596 HydrophobicContact CB-CE2 4.22Å; R593-Y596 HydrophobicContact CG-CE1 4.16Å; Y596-L611 HydrophobicContact CD1-CD1 4.18Å; Y596-L611 HydrophobicContact CG-CD1 4.21Å; Y596-V613 HydrophobicContact CD1-CG1 4Å; Y596-V613 HydrophobicContact CD2-CB 4.36Å; Y596-V613 HydrophobicContact CD2-CG1 3.61Å; Y596-V613 HydrophobicContact CE1-CB 4.08Å; Y596-V613 HydrophobicContact CE1-CG1 3.96Å; Y596-V613 HydrophobicContact CE2-CB 3.77Å; Y596-V613 HydrophobicContact CE2-CG1 3.55Å; Y596-V613 HydrophobicContact CG-CG1 3.83Å; Y596-F614 PolarHBondContact OH-N 2.74Å; Y596-F614 PolarHBondContact OH-O 3.27Å; Y596-F614 VanDerWaalsContact OH-O 3.13Å; Y596-V686 HydrophobicContact CD2-CG1 3.94Å; Y596-V686 HydrophobicContact CD2-CG2 3.72Å; Y596-V686 HydrophobicContact CE2-CB 4.33Å; Y596-V686 HydrophobicContact CE2-CG1 3.74Å; Y596-V686 HydrophobicContact CE2-CG2 3.74Å; Y596-R687 PolarHBondContact N-O 2.96Å; Y596-V688 CarbonylContact O-C 3.59Å; Y596-V688 WeakPolarHBondContact O-CA 3.49Å; Y596-T689 PolarHBondContact O-N 2.88Å |
| 597 | E | 75.9 | Confident | 73.1 | Confident | 139 Ų | 139 | 60.7 Ų | 60.7 | 65% | 0.65 | 36% | 0.36 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -104.1 | 139.7 | 170.6 | -59.4 | -154.9 | 132.2 | 0 | 0 | 111.1 | T689 | E597-T689 CarbonylContact C-O 3.51Å; E597-T689 WeakPolarHBondContact CA-O 3.42Å |
| 598 | G | 74.2 | Confident | 73.2 | Confident | 22 Ų | 22 | 66.5 Ų | 66.5 | 23% | 0.227 | 38% | 0.379 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -147.9 | 172.2 | 177 | 0 | 0 | 0 | 0 | 0 | 112.5 | T689 I690 D691 | G598-T689 PolarHBondContact N-O 2.83Å; G598-I690 WeakPolarHBondContact O-CA 3.27Å; G598-D691 PolarHBondContact O-N 3.21Å |
| 599 | S | 67.4 | Low | 73.3 | Confident | 39 Ų | 39 | 67.3 Ų | 67.3 | 27% | 0.273 | 38% | 0.382 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.8 | 141.4 | 177.2 | 72.6 | 0 | 0 | 0 | 0 | 112.5 | D691 Y699 | S599-D691 CarbonylContact C-O 3.59Å; S599-D691 WeakPolarHBondContact CA-O 2.94Å; S599-Y699 PolarHBondContact O-OH 2.73Å; S599-Y699 PolarHBondContact OG-OH 3.46Å |
| 600 | I | 74.6 | Confident | 72.6 | Confident | 8 Ų | 8 | 68.6 Ų | 68.6 | 4% | 0.041 | 39% | 0.39 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -137 | 135.8 | -175.1 | -164.9 | 168.6 | 0 | 0 | 0 | 110.6 | T604 V610 F646 L657 L661 I690 D691 I692 A693 | I600-T604 HydrophobicContact CD1-CG2 3.9Å; I600-T604 HydrophobicContact CG1-CG2 3.96Å; I600-T604 WeakPolarHBondContact CG1-OG1 3.36Å; I600-V610 HydrophobicContact CB-CG1 4.12Å; I600-V610 HydrophobicContact CD1-CB 4.47Å; I600-V610 HydrophobicContact CD1-CG1 3.9Å; I600-V610 HydrophobicContact CD1-CG2 3.71Å; I600-V610 HydrophobicContact CG1-CG1 4.38Å; I600-F646 HydrophobicContact CD1-CE1 4.35Å; I600-L657 HydrophobicContact CD1-CB 4.13Å; I600-L657 HydrophobicContact CD1-CD1 3.98Å; I600-L657 HydrophobicContact CD1-CD2 4.02Å; I600-L657 HydrophobicContact CD1-CG 4.27Å; I600-L661 HydrophobicContact CB-CD1 4.45Å; I600-L661 HydrophobicContact CD1-CD1 4.13Å; I600-L661 HydrophobicContact CG1-CD1 4.09Å; I600-L661 HydrophobicContact CG2-CD1 3.6Å; I600-L661 HydrophobicContact CG2-CD2 4.38Å; I600-I690 HydrophobicContact CB-CG2 4.01Å; I600-I690 HydrophobicContact CG2-CG2 3.4Å; I600-I690 VanDerWaalsContact CG2-CG2 3.4Å; I600-D691 PolarHBondContact N-O 3.42Å; I600-I692 HydrophobicContact CG2-CG1 4.24Å; I600-I692 WeakPolarHBondContact O-CA 3.25Å; I600-A693 PolarHBondContact O-N 2.79Å |
| 601 | S | 63.4 | Low | 72.8 | Confident | 22 Ų | 22 | 63 Ų | 63 | 15% | 0.154 | 37% | 0.365 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -67.9 | 139.7 | 171.5 | 179.4 | 0 | 0 | 0 | 0 | 110.4 | S603 T604 L661 | S601-S603 PolarHBondContact O-N 2.93Å; S601-S603 PolarHBondContact OG-N 2.79Å; S601-S603 VanDerWaalsContact OG-N 3.14Å; S601-S603 PolarHBondContact OG-OG 3.05Å; S601-T604 PolarHBondContact N-OG1 2.79Å; S601-T604 VanDerWaalsContact O-CB 3.3Å; S601-T604 WeakPolarHBondContact O-CB 3.46Å; S601-T604 PolarHBondContact O-N 3.09Å; S601-T604 PolarHBondContact O-OG1 2.03Å; S601-L661 WeakPolarHBondContact O-CD1 3.34Å |
| 602 | R | 70.7 | Confident | 72.7 | Confident | 47 Ų | 47 | 66 Ų | 66 | 18% | 0.177 | 38% | 0.384 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -57.4 | -18.6 | 169 | -164.1 | 177.9 | -78.1 | 151.7 | 5.2 | 112.8 | L661 V663 K665 N666 I692 A693 E694 | R602-L661 HydrophobicContact CG-CB 4.36Å; R602-V663 PolarHBondContact NH1-O 2.73Å; R602-V663 PolarHBondContact NH2-O 3.18Å; R602-K665 PolarHBondContact NH2-O 2.69Å; R602-N666 PolarHBondContact NH2-OD1 3.25Å; R602-I692 HydrophobicContact CB-CG2 3.69Å; R602-I692 HydrophobicContact CG-CG2 4.06Å; R602-A693 PolarHBondContact N-O 3.42Å; R602-A693 VanDerWaalsContact N-O 3.11Å; R602-E694 IonicContact CZ-OE1 2.66Å; R602-E694 IonicContact NH1-OE1 4Å; R602-E694 PolarHBondContact NH1-OE1 2.94Å; R602-E694 IonicContact NH2-OE1 2.77Å |
| 603 | S | 60.8 | Low | 73.1 | Confident | 91 Ų | 91 | 61.8 Ų | 61.8 | 64% | 0.636 | 36% | 0.362 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -89.3 | 2.8 | 175.3 | 72.9 | 0 | 0 | 0 | 0 | 115.1 | S601 | S601-S603 PolarHBondContact O-N 2.93Å; S601-S603 PolarHBondContact OG-N 2.79Å; S601-S603 VanDerWaalsContact OG-N 3.14Å; S601-S603 PolarHBondContact OG-OG 3.05Å |
| 604 | T | 71.4 | Confident | 73.7 | Confident | 34 Ų | 34 | 60.2 Ų | 60.2 | 21% | 0.209 | 36% | 0.359 | C | S | . | . | P | Polyproline II helix | trans | -66.1 | 129.2 | -177.1 | -62.9 | 0 | 0 | 0 | 0 | 111.3 | I600 S601 R608 L657 | I600-T604 HydrophobicContact CD1-CG2 3.9Å; I600-T604 HydrophobicContact CG1-CG2 3.96Å; I600-T604 WeakPolarHBondContact CG1-OG1 3.36Å; S601-T604 PolarHBondContact N-OG1 2.79Å; S601-T604 VanDerWaalsContact O-CB 3.3Å; S601-T604 WeakPolarHBondContact O-CB 3.46Å; S601-T604 PolarHBondContact O-N 3.09Å; S601-T604 PolarHBondContact O-OG1 2.03Å; T604-R608 HydrophobicContact CG2-CB 3.73Å; T604-R608 HydrophobicContact CG2-CG 4.05Å; T604-L657 HydrophobicContact CG2-CD2 4.1Å; T604-L657 WeakPolarHBondContact O-CD2 2.97Å |
| 605 | P | 64.3 | Low | 74 | Confident | 85 Ų | 85 | 56.8 Ų | 56.8 | 55% | 0.552 | 32% | 0.324 | S | S | * | . | P | Polyproline II helix | trans | -65.6 | 143.8 | 175.8 | -22.5 | 34 | 0 | 0 | 0 | 113.1 | R608 | P605-R608 WeakPolarHBondContact O-CB 3.34Å; P605-R608 WeakPolarHBondContact O-CG 3.25Å; P605-R608 PolarHBondContact O-N 2.8Å |
| 606 | I | 77.4 | Confident | 74.2 | Confident | 96 Ų | 96 | 58.3 Ų | 58.3 | 49% | 0.492 | 33% | 0.329 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -52.6 | 139.8 | 167 | -62.3 | 172.8 | 0 | 0 | 0 | 109.9 | L658 | I606-L658 VanDerWaalsContact CG2-O 3.31Å; I606-L658 WeakPolarHBondContact CG2-O 3.43Å |
| 607 | G | 73.1 | Confident | 74 | Confident | 55 Ų | 55 | 58.8 Ų | 58.8 | 57% | 0.567 | 33% | 0.332 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 89.3 | 10.4 | -177.9 | 0 | 0 | 0 | 0 | 0 | 114.5 | L657 | G607-L657 PolarHBondContact N-O 3.43Š|
| 608 | R | 77 | Confident | 74.2 | Confident | 161 Ų | 161 | 61.1 Ų | 61.1 | 61% | 0.608 | 34% | 0.335 | S | S | * | . | trans | -92.2 | 132.5 | 172.7 | -78.3 | -69 | -176.8 | -178.8 | -1.3 | 111.8 | T604 P605 V610 M656 L657 | T604-R608 HydrophobicContact CG2-CB 3.73Å; T604-R608 HydrophobicContact CG2-CG 4.05Å; P605-R608 WeakPolarHBondContact O-CB 3.34Å; P605-R608 WeakPolarHBondContact O-CG 3.25Å; P605-R608 PolarHBondContact O-N 2.8Å; R608-V610 WeakPolarHBondContact O-CG2 3.31Å; R608-M656 CarbonylContact O-C 3.52Å; R608-M656 VanDerWaalsContact O-CA 3.26Å; R608-M656 WeakPolarHBondContact O-CA 2.98Å; R608-L657 PolarHBondContact O-N 3.43Å | ||
| 609 | S | 76.3 | Confident | 74.6 | Confident | 56 Ų | 56 | 60.4 Ų | 60.4 | 39% | 0.392 | 33% | 0.326 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -54.7 | 144.7 | 162.6 | -167.5 | 0 | 0 | 0 | 0 | 111.5 | E654 | S609-E654 WeakPolarHBondContact CB-OE1 3.14Å; S609-E654 VanDerWaalsContact OG-CG 3.24Å; S609-E654 WeakPolarHBondContact OG-CG 3.2Å; S609-E654 PolarHBondContact OG-OE1 2.69Å |
| 610 | V | 70.5 | Confident | 74.8 | Confident | 27 Ų | 27 | 59 Ų | 59 | 16% | 0.164 | 32% | 0.317 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.6 | -47.4 | -173.3 | -165 | 0 | 0 | 0 | 0 | 110.8 | I600 R608 F646 I655 L657 I690 | I600-V610 HydrophobicContact CB-CG1 4.12Å; I600-V610 HydrophobicContact CD1-CB 4.47Å; I600-V610 HydrophobicContact CD1-CG1 3.9Å; I600-V610 HydrophobicContact CD1-CG2 3.71Å; I600-V610 HydrophobicContact CG1-CG1 4.38Å; R608-V610 WeakPolarHBondContact O-CG2 3.31Å; V610-F646 HydrophobicContact CG2-CD1 4.15Å; V610-F646 HydrophobicContact CG2-CE1 4.07Å; V610-I655 PolarHBondContact N-O 3.39Å; V610-L657 HydrophobicContact CG2-CB 4.18Å; V610-I690 HydrophobicContact CB-CD1 4.48Å; V610-I690 HydrophobicContact CG1-CD1 3.94Å; V610-I690 HydrophobicContact CG1-CG2 4.11Å |
| 611 | L | 82 | Confident | 74.6 | Confident | 25 Ų | 25 | 64.6 Ų | 64.6 | 13% | 0.131 | 35% | 0.354 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -159.4 | 170.5 | 168.1 | 64.3 | 95.1 | 0 | 0 | 0 | 109.5 | Y596 V613 I655 V688 I690 | Y596-L611 HydrophobicContact CD1-CD1 4.18Å; Y596-L611 HydrophobicContact CG-CD1 4.21Å; L611-V613 HydrophobicContact CD1-CG1 3.89Å; L611-I655 HydrophobicContact CD1-CD1 3.88Å; L611-I655 WeakPolarHBondContact O-CA 3.47Å; L611-I655 WeakPolarHBondContact O-CB 3.14Å; L611-I655 PolarHBondContact O-N 2.76Å; L611-V688 HydrophobicContact CD1-CG1 4.27Å; L611-V688 HydrophobicContact CD2-CG1 3.92Å; L611-I690 HydrophobicContact CD2-CD1 4.17Å; L611-I690 HydrophobicContact CD2-CG1 4.06Å |
| 612 | T | 80.8 | Confident | 74.9 | Confident | 78 Ų | 78 | 69.7 Ų | 69.7 | 48% | 0.479 | 38% | 0.38 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.5 | 139.1 | 175.5 | -60.7 | 0 | 0 | 0 | 0 | 109 | G653 | T612-G653 WeakPolarHBondContact CA-O 3.3Å |
| 613 | V | 79.4 | Confident | 75.2 | Confident | 1 Ų | 1 | 68.7 Ų | 68.7 | 1% | 0.006 | 38% | 0.378 | C | S | . | . | trans | -103.1 | 153.8 | 169.9 | -55.2 | 0 | 0 | 0 | 0 | 110.2 | F591 Y596 L611 Y628 G653 I655 A672 V688 | F591-V613 HydrophobicContact CD1-CB 4.15Å; F591-V613 HydrophobicContact CD1-CG2 4.47Å; F591-V613 HydrophobicContact CE1-CB 3.82Å; F591-V613 HydrophobicContact CE1-CG2 3.68Å; Y596-V613 HydrophobicContact CD1-CG1 4Å; Y596-V613 HydrophobicContact CD2-CB 4.36Å; Y596-V613 HydrophobicContact CD2-CG1 3.61Å; Y596-V613 HydrophobicContact CE1-CB 4.08Å; Y596-V613 HydrophobicContact CE1-CG1 3.96Å; Y596-V613 HydrophobicContact CE2-CB 3.77Å; Y596-V613 HydrophobicContact CE2-CG1 3.55Å; Y596-V613 HydrophobicContact CG-CG1 3.83Å; L611-V613 HydrophobicContact CD1-CG1 3.89Å; V613-Y628 HydrophobicContact CG2-CD1 3.81Å; V613-Y628 HydrophobicContact CG2-CE1 4.19Å; V613-Y628 HydrophobicContact CG2-CG 4.45Å; V613-G653 WeakPolarHBondContact CG2-O 3.43Å; V613-G653 PolarHBondContact N-O 2.96Å; V613-G653 WeakPolarHBondContact O-CA 3.06Å; V613-I655 HydrophobicContact CG1-CD1 3.75Å; V613-A672 HydrophobicContact CG1-CB 4.28Å; V613-A672 HydrophobicContact CG2-CB 4.27Å; V613-V688 HydrophobicContact CG1-CG2 4.47Å | ||
| 614 | F | 82.6 | Confident | 75.9 | Confident | 115 Ų | 115 | 65.4 Ų | 65.4 | 50% | 0.504 | 36% | 0.356 | S | S | . | . | trans | -142.7 | 143.7 | 178 | 179.8 | -96 | 0 | 0 | 0 | 110 | F591 D592 Y596 D616 | F591-F614 CarbonylContact C-O 3.58Å; F591-F614 VanDerWaalsContact CA-O 3.27Å; F591-F614 WeakPolarHBondContact CA-O 3.5Å; F591-F614 WeakPolarHBondContact CD1-O 3.15Å; D592-F614 HydrophobicContact CB-CD1 4.34Å; D592-F614 PolarHBondContact N-O 3.38Å; Y596-F614 PolarHBondContact OH-N 2.74Å; Y596-F614 PolarHBondContact OH-O 3.27Å; Y596-F614 VanDerWaalsContact OH-O 3.13Å; F614-D616 HydrophobicContact CE1-CB 4.22Å | ||
| 615 | A | 81.1 | Confident | 76.2 | Confident | 2 Ų | 2 | 72.3 Ų | 72.3 | 2% | 0.017 | 38% | 0.378 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -142.1 | 157.2 | 176.9 | 0 | 0 | 0 | 0 | 0 | 110.2 | P589 E590 F591 I626 Y628 A674 | P589-A615 HydrophobicContact CB-CB 4.48Å; E590-A615 CarbonylContact O-C 3.58Å; E590-A615 WeakPolarHBondContact O-CA 3.4Å; E590-A615 WeakPolarHBondContact O-CB 3.48Å; F591-A615 HydrophobicContact CD1-CB 3.97Å; F591-A615 HydrophobicContact CE1-CB 4.35Å; F591-A615 HydrophobicContact CG-CB 4.15Å; A615-I626 VanDerWaalsContact C-CD1 3.48Å; A615-I626 HydrophobicContact CB-CD1 4.34Å; A615-I626 HydrophobicContact CB-CG2 4.45Å; A615-I626 WeakPolarHBondContact O-CD1 3.4Å; A615-Y628 HydrophobicContact CB-CE1 3.89Å; A615-Y628 PolarHBondContact N-OH 3.47Å; A615-Y628 PolarHBondContact O-OH 3.13Å; A615-A674 HydrophobicContact CB-CB 3.72Å |
| 616 | D | 77.4 | Confident | 77.1 | Confident | 112 Ų | 112 | 70.1 Ų | 70.1 | 60% | 0.599 | 36% | 0.361 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -135.4 | 158.2 | -177.3 | -154.6 | 21.6 | 0 | 0 | 0 | 110.8 | P589 E590 F614 I626 | P589-D616 CarbonylContact C-O 3.6Å; P589-D616 VanDerWaalsContact CA-O 3.3Å; P589-D616 WeakPolarHBondContact CA-O 3.4Å; E590-D616 PolarHBondContact N-O 3.26Å; E590-D616 PolarHBondContact O-N 2.73Å; F614-D616 HydrophobicContact CE1-CB 4.22Å; D616-I626 VanDerWaalsContact CA-CD1 3.46Å |
| 617 | D | 74.7 | Confident | 77.2 | Confident | 19 Ų | 19 | 67.2 Ų | 67.2 | 10% | 0.102 | 35% | 0.349 | C | S | . | . | trans | -152.2 | 151.9 | -170 | -161.4 | -9.2 | 0 | 0 | 0 | 110.8 | N587 P589 A624 I626 D676 | N587-D617 WeakPolarHBondContact CB-OD1 2.72Å; P589-D617 HydrophobicContact CB-CB 4.1Å; P589-D617 WeakPolarHBondContact CD-OD2 3.42Å; D617-A624 HydrophobicContact CB-CB 3.79Å; D617-I626 HydrophobicContact CB-CD1 3.79Å; D617-I626 HydrophobicContact CB-CG1 3.98Å; D617-D676 WeakPolarHBondContact OD2-CB 3.45Å | ||
| 618 | R | 79.5 | Confident | 77.9 | Confident | 188 Ų | 188 | 65.1 Ų | 65.1 | 71% | 0.709 | 33% | 0.325 | S | S | * | . | trans | -110.6 | -25.3 | -160.1 | -66.7 | -172.4 | -178.9 | -165.8 | 3.4 | 116.9 | N587 | N587-R618 HydrophobicContact CB-CB 4.12Š| ||
| 619 | D | 81.4 | Confident | 78.4 | Confident | 8 Ų | 8 | 62.5 Ų | 62.5 | 4% | 0.043 | 32% | 0.319 | C | S | . | . | S | Bend | trans | -57.8 | 176.8 | 178.6 | -59.7 | -18.7 | 0 | 0 | 0 | 112.2 | N585 D586 N587 N623 A624 | N585-D619 VanDerWaalsContact CA-OD2 3.29Å; N585-D619 WeakPolarHBondContact CA-OD2 3.37Å; N585-D619 PolarHBondContact ND2-OD2 3.07Å; N585-D619 VanDerWaalsContact ND2-OD2 3.1Å; N585-D619 PolarHBondContact OD1-OD2 3.05Å; D586-D619 PolarHBondContact N-OD1 3.14Å; D586-D619 PolarHBondContact N-OD2 2.74Å; N587-D619 WeakPolarHBondContact CB-OD1 3.25Å; N587-D619 PolarHBondContact N-OD1 2.95Å; N587-D619 PolarHBondContact N-OD2 2.88Å; N587-D619 PolarHBondContact ND2-OD1 2.79Å; D619-N623 HydrophobicContact CB-CB 3.34Å; D619-A624 HydrophobicContact CB-CB 4.25Å; D619-A624 WeakPolarHBondContact O-CB 3.43Å |
| 620 | A | 73.4 | Confident | 79 | Confident | 10 Ų | 10 | 61.6 Ų | 61.6 | 8% | 0.083 | 31% | 0.31 | C | S | . | . | trans | -54.1 | 156.8 | 177.1 | 0 | 0 | 0 | 0 | 0 | 113.2 | R551 D583 N622 N623 A624 | R551-A620 VanDerWaalsContact NH2-N 3.16Å; D583-A620 VanDerWaalsContact CG-CB 3.48Å; D583-A620 WeakPolarHBondContact OD1-CB 3.17Å; D583-A620 PolarHBondContact OD1-N 3.09Å; D583-A620 VanDerWaalsContact OD1-N 3.16Å; D583-A620 WeakPolarHBondContact OD2-CB 3.29Å; A620-N622 PolarHBondContact O-N 3.31Å; A620-N623 WeakPolarHBondContact O-CB 3.48Å; A620-N623 PolarHBondContact O-N 3.36Å; A620-A624 PolarHBondContact O-N 2.71Å | ||
| 621 | P | 68.6 | Low | 79.8 | Confident | 125 Ų | 125 | 64.8 Ų | 64.8 | 81% | 0.812 | 32% | 0.323 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -56.8 | -4.1 | 179.1 | -28.8 | 36.1 | 0 | 0 | 0 | 118 | ||
| 622 | N | 70.1 | Confident | 79.8 | Confident | 129 Ų | 129 | 65 Ų | 65 | 69% | 0.69 | 33% | 0.329 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -88.3 | -40.3 | 168 | -65.8 | -45.7 | 0 | 0 | 0 | 112.3 | A620 | A620-N622 PolarHBondContact O-N 3.31Š|
| 623 | N | 76.8 | Confident | 79.9 | Confident | 26 Ų | 26 | 61.6 Ų | 61.6 | 14% | 0.139 | 31% | 0.307 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -79.5 | -59.4 | -174.4 | -71.7 | 4 | 0 | 0 | 0 | 109.7 | D583 E584 N585 D619 A620 R625 S677 | D583-N623 PolarHBondContact OD2-ND2 2.91Å; E584-N623 PolarHBondContact O-ND2 3.09Å; N585-N623 HydrophobicContact CB-CB 4.34Å; N585-N623 WeakPolarHBondContact OD1-CA 3.26Å; N585-N623 WeakPolarHBondContact OD1-CB 3.31Å; D619-N623 HydrophobicContact CB-CB 3.34Å; A620-N623 WeakPolarHBondContact O-CB 3.48Å; A620-N623 PolarHBondContact O-N 3.36Å; N623-R625 PolarHBondContact O-N 3.15Å; N623-S677 PolarHBondContact O-N 3.05Å |
| 624 | A | 77 | Confident | 79.7 | Confident | 21 Ų | 21 | 66.5 Ų | 66.5 | 17% | 0.174 | 34% | 0.339 | C | S | . | . | S | Bend | trans | -65.5 | 24.1 | -176.3 | 0 | 0 | 0 | 0 | 0 | 116.7 | D617 D619 A620 | D617-A624 HydrophobicContact CB-CB 3.79Å; D619-A624 HydrophobicContact CB-CB 4.25Å; D619-A624 WeakPolarHBondContact O-CB 3.43Å; A620-A624 PolarHBondContact O-N 2.71Å |
| 625 | R | 77.7 | Confident | 79.4 | Confident | 180 Ų | 180 | 64.2 Ų | 64.2 | 68% | 0.679 | 34% | 0.338 | S | S | * | . | trans | -95.8 | 103.6 | -174.7 | -178.9 | -173.2 | 176.5 | 149.6 | 4.9 | 112.3 | N623 D676 S677 | N623-R625 PolarHBondContact O-N 3.15Å; R625-D676 CarbonylContact O-C 3.53Å; R625-D676 VanDerWaalsContact O-CA 3.28Å; R625-D676 WeakPolarHBondContact O-CA 3.47Å; R625-S677 WeakPolarHBondContact CB-OG 3.26Å; R625-S677 PolarHBondContact O-N 3.24Å; R625-S677 VanDerWaalsContact O-N 3.09Å; R625-S677 PolarHBondContact O-OG 2.86Å | ||
| 626 | I | 82.8 | Confident | 79.2 | Confident | 38 Ų | 38 | 67.4 Ų | 67.4 | 20% | 0.195 | 35% | 0.352 | C | S | . | . | trans | -84.9 | 149.3 | -166.5 | -43.4 | 176 | 0 | 0 | 0 | 114.2 | P589 A615 D616 D617 Y628 A674 R675 | P589-I626 HydrophobicContact CB-CB 4.46Å; P589-I626 HydrophobicContact CB-CD1 3.72Å; P589-I626 HydrophobicContact CB-CG1 3.84Å; P589-I626 HydrophobicContact CB-CG2 3.84Å; P589-I626 HydrophobicContact CG-CG2 4.29Å; A615-I626 VanDerWaalsContact C-CD1 3.48Å; A615-I626 HydrophobicContact CB-CD1 4.34Å; A615-I626 HydrophobicContact CB-CG2 4.45Å; A615-I626 WeakPolarHBondContact O-CD1 3.4Å; D616-I626 VanDerWaalsContact CA-CD1 3.46Å; D617-I626 HydrophobicContact CB-CD1 3.79Å; D617-I626 HydrophobicContact CB-CG1 3.98Å; I626-Y628 HydrophobicContact CG2-CE1 4.43Å; I626-A674 HydrophobicContact CG2-CB 3.87Å; I626-R675 CarbonylContact C-O 3.32Å; I626-R675 WeakPolarHBondContact CA-O 3.25Å | ||
| 627 | S | 80 | Confident | 79.1 | Confident | 35 Ų | 35 | 66.7 Ų | 66.7 | 25% | 0.245 | 35% | 0.353 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -140.7 | 141.4 | 173.1 | 67.5 | 0 | 0 | 0 | 0 | 112.4 | P650 A674 R675 | S627-P650 CarbonylContact C-O 3.59Å; S627-P650 VanDerWaalsContact CA-O 3.28Å; S627-P650 WeakPolarHBondContact CA-O 3.43Å; S627-A674 CarbonylContact O-C 3.55Å; S627-A674 WeakPolarHBondContact O-CA 3.25Å; S627-R675 PolarHBondContact N-O 2.82Å; S627-R675 PolarHBondContact O-N 2.82Å; S627-R675 PolarHBondContact OG-O 2.75Å |
| 628 | Y | 87.4 | Confident | 79.1 | Confident | 12 Ų | 12 | 72.5 Ų | 72.5 | 5% | 0.047 | 38% | 0.384 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106 | 141.9 | -174.6 | -56.2 | -86 | 0 | 0 | 0 | 114.3 | F591 V613 A615 I626 V648 P650 I673 A674 | F591-Y628 HydrophobicContact CD1-CE1 4.46Å; F591-Y628 AromaticContact CE1-CD1 3.84Å; F591-Y628 HydrophobicContact CE1-CD1 3.84Å; F591-Y628 AromaticContact CE1-CE1 3.76Å; F591-Y628 HydrophobicContact CE1-CE1 3.76Å; F591-Y628 HydrophobicContact CZ-CD1 4.17Å; F591-Y628 HydrophobicContact CZ-CE1 4.39Å; V613-Y628 HydrophobicContact CG2-CD1 3.81Å; V613-Y628 HydrophobicContact CG2-CE1 4.19Å; V613-Y628 HydrophobicContact CG2-CG 4.45Å; A615-Y628 HydrophobicContact CB-CE1 3.89Å; A615-Y628 PolarHBondContact N-OH 3.47Å; A615-Y628 PolarHBondContact O-OH 3.13Å; I626-Y628 HydrophobicContact CG2-CE1 4.43Å; Y628-V648 WeakPolarHBondContact O-CG1 3.15Å; Y628-P650 VanDerWaalsContact CD2-O 3.29Å; Y628-P650 WeakPolarHBondContact CD2-O 3.36Å; Y628-P650 PolarHBondContact N-O 2.83Å; Y628-P650 WeakPolarHBondContact O-CA 3.36Å; Y628-I673 CarbonylContact C-O 3.46Å; Y628-I673 VanDerWaalsContact CA-O 3.26Å; Y628-I673 WeakPolarHBondContact CA-O 3.05Å; Y628-A674 HydrophobicContact CD1-CB 4.14Å; Y628-A674 HydrophobicContact CE1-CB 4.05Å |
| 629 | Q | 86.3 | Confident | 79.2 | Confident | 105 Ų | 105 | 65.1 Ų | 65.1 | 49% | 0.491 | 36% | 0.358 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -138.6 | 167.4 | 176 | -54.6 | -172.1 | 29.3 | 0 | 0 | 110.9 | A672 I673 | Q629-A672 CarbonylContact O-C 3.51Å; Q629-A672 WeakPolarHBondContact O-CA 3.48Å; Q629-I673 HydrophobicContact CB-CB 4.45Å; Q629-I673 PolarHBondContact N-O 3.46Å; Q629-I673 PolarHBondContact O-N 3.06Å |
| 630 | L | 90.4 | Very high | 79 | Confident | 37 Ų | 37 | 66.6 Ų | 66.6 | 19% | 0.194 | 37% | 0.371 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.9 | 142.9 | 172.4 | -58.8 | -178.2 | 0 | 0 | 0 | 110.9 | V643 F646 V648 I655 F670 L671 A672 | L630-V643 HydrophobicContact CB-CG2 3.66Å; L630-F646 HydrophobicContact CD1-CB 3.99Å; L630-V648 HydrophobicContact CD1-CB 4.2Å; L630-V648 HydrophobicContact CD2-CB 3.92Å; L630-V648 HydrophobicContact CD2-CG1 4.16Å; L630-V648 HydrophobicContact CG-CB 3.77Å; L630-V648 HydrophobicContact CG-CG1 3.82Å; L630-I655 HydrophobicContact CD1-CG2 4.31Å; L630-I655 HydrophobicContact CD2-CD1 3.86Å; L630-I655 HydrophobicContact CD2-CG1 4.17Å; L630-F670 HydrophobicContact CD1-CD2 4.25Å; L630-F670 HydrophobicContact CD1-CE2 3.81Å; L630-F670 HydrophobicContact CD2-CD2 4.11Å; L630-F670 HydrophobicContact CD2-CE2 3.84Å; L630-F670 HydrophobicContact CG-CE2 4.36Å; L630-L671 CarbonylContact C-O 3.58Å; L630-L671 VanDerWaalsContact CA-O 3.32Å; L630-L671 WeakPolarHBondContact CA-O 3.34Å; L630-A672 HydrophobicContact CD2-CB 3.64Å |
| 631 | Q | 85.6 | Confident | 79.3 | Confident | 94 Ų | 94 | 71.1 Ų | 71.1 | 44% | 0.439 | 39% | 0.394 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.7 | 150.8 | 177.9 | -168 | 174.8 | -79.9 | 0 | 0 | 111.4 | L671 I673 | Q631-L671 PolarHBondContact N-O 3.44Å; Q631-L671 PolarHBondContact O-N 3.23Å; Q631-I673 HydrophobicContact CB-CD1 3.74Å; Q631-I673 HydrophobicContact CB-CG1 4.43Å; Q631-I673 HydrophobicContact CG-CD1 4.5Å |
| 632 | A | 83.7 | Confident | 80.2 | Confident | 31 Ų | 31 | 65.3 Ų | 65.3 | 26% | 0.256 | 36% | 0.356 | S | S | . | . | trans | -61.9 | 137.7 | 169.4 | 0 | 0 | 0 | 0 | 0 | 110.2 | P634 A640 V643 | A632-P634 VanDerWaalsContact O-CD 3.32Å; A632-P634 WeakPolarHBondContact O-CD 3.3Å; A632-A640 HydrophobicContact CB-CB 4.39Å; A632-A640 VanDerWaalsContact CB-O 3.23Å; A632-A640 WeakPolarHBondContact CB-O 3.19Å; A632-V643 HydrophobicContact CB-CG1 3.86Å | ||
| 633 | D | 82.3 | Confident | 81 | Confident | 5 Ų | 5 | 60.1 Ų | 60.1 | 3% | 0.027 | 33% | 0.329 | C | S | . | . | trans | -78.2 | 114.3 | 175.5 | -169.6 | -30.1 | 0 | 0 | 0 | 110 | S635 E636 L671 R687 | D633-S635 VanDerWaalsContact CG-OG 3.3Å; D633-S635 PolarHBondContact O-N 2.84Å; D633-S635 WeakPolarHBondContact OD1-CA 3.26Å; D633-S635 WeakPolarHBondContact OD1-CB 3.3Å; D633-S635 PolarHBondContact OD1-N 3.26Å; D633-S635 PolarHBondContact OD1-OG 3.02Å; D633-S635 PolarHBondContact OD2-OG 2.93Å; D633-E636 HydrophobicContact CB-CB 4.48Å; D633-E636 PolarHBondContact O-N 2.75Å; D633-L671 HydrophobicContact CB-CD1 4.48Å; D633-L671 HydrophobicContact CB-CD2 4.28Å; D633-L671 HydrophobicContact CB-CG 3.95Å; D633-R687 IonicContact OD2-CZ 3.91Å; D633-R687 IonicContact OD2-NE 2.74Å; D633-R687 IonicContact OD2-NH1 2.79Å; D633-R687 PolarHBondContact OD2-NH1 2.88Å; D633-R687 IonicContact OD2-NH2 3.25Å; D633-R687 PolarHBondContact OD2-NH2 3.02Å | ||
| 634 | P | 74.3 | Confident | 81.4 | Confident | 105 Ų | 105 | 61.7 Ų | 61.7 | 68% | 0.682 | 34% | 0.338 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -74.2 | -13.1 | -178.8 | 32.6 | -36 | 0 | 0 | 0 | 113.1 | A632 E636 | A632-P634 VanDerWaalsContact O-CD 3.32Å; A632-P634 WeakPolarHBondContact O-CD 3.3Å; P634-E636 VanDerWaalsContact C-N 3.34Å |
| 635 | S | 77.5 | Confident | 81.8 | Confident | 67 Ų | 67 | 63 Ų | 63 | 47% | 0.469 | 34% | 0.339 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -77.4 | -22.4 | 173.7 | 70 | 0 | 0 | 0 | 0 | 112.7 | D633 P637 R687 | D633-S635 VanDerWaalsContact CG-OG 3.3Å; D633-S635 PolarHBondContact O-N 2.84Å; D633-S635 WeakPolarHBondContact OD1-CA 3.26Å; D633-S635 WeakPolarHBondContact OD1-CB 3.3Å; D633-S635 PolarHBondContact OD1-N 3.26Å; D633-S635 PolarHBondContact OD1-OG 3.02Å; D633-S635 PolarHBondContact OD2-OG 2.93Å; S635-P637 VanDerWaalsContact C-CD 3.47Å; S635-P637 VanDerWaalsContact O-CD 3.24Å; S635-P637 WeakPolarHBondContact O-CD 3.37Å; S635-R687 PolarHBondContact OG-NH1 3.07Å; S635-R687 PolarHBondContact OG-NH2 3.26Å |
| 636 | E | 75.5 | Confident | 82.5 | Confident | 68 Ų | 68 | 54.8 Ų | 54.8 | 32% | 0.318 | 31% | 0.308 | S | S | . | . | trans | -117.2 | 73.3 | -179.6 | -68.8 | -66.4 | 168.1 | 0 | 0 | 110.7 | D633 P634 D638 H639 A640 M669 | D633-E636 HydrophobicContact CB-CB 4.48Å; D633-E636 PolarHBondContact O-N 2.75Å; P634-E636 VanDerWaalsContact C-N 3.34Å; E636-D638 PolarHBondContact O-N 3.02Å; E636-H639 HydrophobicContact CB-CB 3.88Å; E636-H639 CarbonylContact O-C 3.48Å; E636-H639 VanDerWaalsContact O-CA 3.31Å; E636-H639 WeakPolarHBondContact O-CA 3.42Å; E636-H639 WeakPolarHBondContact O-CB 3.48Å; E636-H639 PolarHBondContact O-N 2.93Å; E636-H639 IonicContact OE2-CD2 2.74Å; E636-A640 PolarHBondContact O-N 2.98Å; E636-A640 VanDerWaalsContact O-N 3.09Å; E636-M669 HydrophobicContact CG-CE 4.11Å | ||
| 637 | P | 75.3 | Confident | 82.7 | Confident | 97 Ų | 97 | 54.7 Ų | 54.7 | 63% | 0.63 | 31% | 0.311 | S | S | * | . | G | 310 helix | trans | -61.8 | -29.4 | -174.9 | 24.4 | -34.5 | 0 | 0 | 0 | 113.6 | S635 H639 A640 | S635-P637 VanDerWaalsContact C-CD 3.47Å; S635-P637 VanDerWaalsContact O-CD 3.24Å; S635-P637 WeakPolarHBondContact O-CD 3.37Å; P637-H639 PolarHBondContact O-N 2.81Å; P637-A640 WeakPolarHBondContact O-CB 3.42Å; P637-A640 PolarHBondContact O-N 2.94Å |
| 638 | D | 74.6 | Confident | 83.1 | Confident | 141 Ų | 141 | 54.1 Ų | 54.1 | 75% | 0.754 | 31% | 0.305 | S | S | * | . | G | 310 helix | trans | -69.6 | -17.2 | 172.9 | -72.8 | -15.8 | 0 | 0 | 0 | 112.4 | E636 K665 | E636-D638 PolarHBondContact O-N 3.02Å; D638-K665 PolarHBondContact O-NZ 2.94Å |
| 639 | H | 82.7 | Confident | 82.5 | Confident | 33 Ų | 33 | 58.1 Ų | 58.1 | 15% | 0.153 | 32% | 0.323 | C | S | . | . | G | 310 helix | trans | -104.1 | 1.8 | 173.3 | -65.7 | -88.8 | 0 | 0 | 0 | 113.8 | E636 P637 D641 D642 K665 M669 | E636-H639 HydrophobicContact CB-CB 3.88Å; E636-H639 CarbonylContact O-C 3.48Å; E636-H639 VanDerWaalsContact O-CA 3.31Å; E636-H639 WeakPolarHBondContact O-CA 3.42Å; E636-H639 WeakPolarHBondContact O-CB 3.48Å; E636-H639 PolarHBondContact O-N 2.93Å; E636-H639 IonicContact OE2-CD2 2.74Å; P637-H639 PolarHBondContact O-N 2.81Å; H639-D641 PolarHBondContact O-N 2.85Å; H639-D642 WeakPolarHBondContact CB-OD2 3.48Å; H639-D642 IonicContact CE1-OD2 3.93Å; H639-D642 IonicContact CG-OD2 2.65Å; H639-D642 IonicContact ND1-OD2 3.37Å; H639-D642 PolarHBondContact ND1-OD2 2.7Å; H639-D642 WeakPolarHBondContact O-CB 3.15Å; H639-D642 PolarHBondContact O-N 2.81Å; H639-K665 PolarHBondContact ND1-NZ 2.86Å; H639-M669 HydrophobicContact CB-CB 4.03Å |
| 640 | A | 78 | Confident | 82.2 | Confident | 39 Ų | 39 | 56.3 Ų | 56.3 | 32% | 0.322 | 32% | 0.32 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -58.9 | -26.2 | -177 | 0 | 0 | 0 | 0 | 0 | 114.6 | A632 E636 P637 | A632-A640 HydrophobicContact CB-CB 4.39Å; A632-A640 VanDerWaalsContact CB-O 3.23Å; A632-A640 WeakPolarHBondContact CB-O 3.19Å; E636-A640 PolarHBondContact O-N 2.98Å; E636-A640 VanDerWaalsContact O-N 3.09Å; P637-A640 WeakPolarHBondContact O-CB 3.42Å; P637-A640 PolarHBondContact O-N 2.94Å |
| 641 | D | 79.7 | Confident | 81.4 | Confident | 105 Ų | 105 | 62 Ų | 62 | 56% | 0.561 | 35% | 0.351 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -81.3 | -11.1 | 175.3 | -114.3 | -33.3 | 0 | 0 | 0 | 113.8 | H639 V643 N644 Y645 | H639-D641 PolarHBondContact O-N 2.85Å; D641-V643 PolarHBondContact O-N 2.95Å; D641-N644 VanDerWaalsContact O-CB 3.25Å; D641-N644 WeakPolarHBondContact O-CB 3.26Å; D641-N644 PolarHBondContact O-N 3.39Å; D641-N644 VanDerWaalsContact O-N 3.13Å; D641-N644 PolarHBondContact OD1-ND2 3.16Å; D641-Y645 WeakPolarHBondContact O-CD2 3.36Å |
| 642 | D | 87.5 | Confident | 81 | Confident | 3 Ų | 3 | 59.3 Ų | 59.3 | 2% | 0.016 | 35% | 0.349 | C | S | . | . | G | 310 helix | trans | -72.3 | -31.1 | -169.8 | -70.3 | -4.8 | 0 | 0 | 0 | 112.7 | H639 N644 Y645 F646 K665 M668 M669 | H639-D642 WeakPolarHBondContact CB-OD2 3.48Å; H639-D642 IonicContact CE1-OD2 3.93Å; H639-D642 IonicContact CG-OD2 2.65Å; H639-D642 IonicContact ND1-OD2 3.37Å; H639-D642 PolarHBondContact ND1-OD2 2.7Å; H639-D642 WeakPolarHBondContact O-CB 3.15Å; H639-D642 PolarHBondContact O-N 2.81Å; D642-N644 PolarHBondContact O-N 2.87Å; D642-N644 VanDerWaalsContact O-N 3.16Å; D642-Y645 WeakPolarHBondContact O-CB 3.47Å; D642-Y645 PolarHBondContact O-N 2.8Å; D642-F646 WeakPolarHBondContact O-CD2 3.45Å; D642-K665 WeakPolarHBondContact OD1-CD 3.24Å; D642-K665 WeakPolarHBondContact OD1-CE 3.5Å; D642-K665 IonicContact OD1-NZ 3.75Å; D642-K665 PolarHBondContact OD1-NZ 2.83Å; D642-K665 IonicContact OD2-NZ 3.1Å; D642-K665 PolarHBondContact OD2-NZ 3.16Å; D642-M668 HydrophobicContact CB-CB 4.15Å; D642-M668 HydrophobicContact CB-CG 4.31Å; D642-M668 HydrophobicContact CB-SD 3.39Å; D642-M668 WeakPolarHBondContact CB-SD 2.98Å; D642-M668 VanDerWaalsContact OD2-CA 3.29Å; D642-M668 WeakPolarHBondContact OD2-CA 3.4Å; D642-M669 PolarHBondContact OD2-N 2.88Å |
| 643 | V | 86.3 | Confident | 80.9 | Confident | 21 Ų | 21 | 57.9 Ų | 57.9 | 13% | 0.127 | 34% | 0.336 | C | S | . | . | G | 310 helix | trans | -56 | -31.7 | 171.7 | 74 | 0 | 0 | 0 | 0 | 111.9 | L630 A632 D641 Y645 F646 F670 | L630-V643 HydrophobicContact CB-CG2 3.66Å; A632-V643 HydrophobicContact CB-CG1 3.86Å; D641-V643 PolarHBondContact O-N 2.95Å; V643-Y645 PolarHBondContact O-N 3.36Å; V643-Y645 VanDerWaalsContact O-N 3.09Å; V643-F646 PolarHBondContact O-N 3.11Å; V643-F646 VanDerWaalsContact O-N 3.08Å; V643-F670 HydrophobicContact CB-CB 3.81Å; V643-F670 HydrophobicContact CB-CG 4.33Å; V643-F670 HydrophobicContact CG2-CB 4.13Å; V643-F670 HydrophobicContact CG2-CD2 4.39Å; V643-F670 HydrophobicContact CG2-CG 4.39Å |
| 644 | N | 83.9 | Confident | 80.7 | Confident | 59 Ų | 59 | 59.9 Ų | 59.9 | 32% | 0.316 | 35% | 0.346 | S | S | . | . | G | 310 helix | trans | -66.6 | -11.6 | 179 | -69.4 | -59.5 | 0 | 0 | 0 | 113.3 | D641 D642 R659 | D641-N644 VanDerWaalsContact O-CB 3.25Å; D641-N644 WeakPolarHBondContact O-CB 3.26Å; D641-N644 PolarHBondContact O-N 3.39Å; D641-N644 VanDerWaalsContact O-N 3.13Å; D641-N644 PolarHBondContact OD1-ND2 3.16Å; D642-N644 PolarHBondContact O-N 2.87Å; D642-N644 VanDerWaalsContact O-N 3.16Å; N644-R659 WeakPolarHBondContact O-CD 3.47Å; N644-R659 WeakPolarHBondContact O-CG 3.2Å; N644-R659 PolarHBondContact O-NE 3.11Å |
| 645 | Y | 87.1 | Confident | 81.1 | Confident | 49 Ų | 49 | 54.9 Ų | 54.9 | 19% | 0.192 | 31% | 0.313 | C | S | . | . | G | 310 helix | trans | -91.5 | -6.9 | 176.2 | -64.3 | -98.8 | 0 | 0 | 0 | 113.4 | D641 D642 V643 L657 L658 R659 S660 P662 M668 | D641-Y645 WeakPolarHBondContact O-CD2 3.36Å; D642-Y645 WeakPolarHBondContact O-CB 3.47Å; D642-Y645 PolarHBondContact O-N 2.8Å; V643-Y645 PolarHBondContact O-N 3.36Å; V643-Y645 VanDerWaalsContact O-N 3.09Å; Y645-L657 CarbonylContact O-C 3.54Å; Y645-L657 WeakPolarHBondContact O-CD1 3.42Å; Y645-L658 WeakPolarHBondContact O-CA 3.19Å; Y645-L658 PolarHBondContact O-N 2.83Å; Y645-R659 HydrophobicContact CD1-CB 3.73Å; Y645-R659 HydrophobicContact CE1-CB 4.3Å; Y645-R659 HydrophobicContact CG-CB 4.32Å; Y645-R659 PolarHBondContact O-N 3.37Å; Y645-S660 WeakPolarHBondContact CD1-O 3.22Å; Y645-S660 VanDerWaalsContact CE1-O 3.3Å; Y645-S660 WeakPolarHBondContact CE1-O 3.26Å; Y645-P662 HydrophobicContact CE1-CB 4.39Å; Y645-P662 HydrophobicContact CE1-CG 4.09Å; Y645-M668 HydrophobicContact CD1-CE 4.07Å; Y645-M668 HydrophobicContact CD2-CE 3.71Å; Y645-M668 HydrophobicContact CD2-SD 3.96Å; Y645-M668 HydrophobicContact CE1-CE 4.38Å; Y645-M668 HydrophobicContact CE2-CE 4.03Å; Y645-M668 HydrophobicContact CG-CE 3.72Å; Y645-M668 HydrophobicContact CG-SD 4.06Å |
| 646 | F | 90.7 | Very high | 81.1 | Confident | 6 Ų | 6 | 54 Ų | 54 | 3% | 0.026 | 30% | 0.302 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.1 | 168.3 | -178.4 | -56.3 | -85.8 | 0 | 0 | 0 | 112.8 | I600 V610 L630 D642 V643 I655 M656 L657 L658 L661 M668 F670 I690 | I600-F646 HydrophobicContact CD1-CE1 4.35Å; V610-F646 HydrophobicContact CG2-CD1 4.15Å; V610-F646 HydrophobicContact CG2-CE1 4.07Å; L630-F646 HydrophobicContact CD1-CB 3.99Å; D642-F646 WeakPolarHBondContact O-CD2 3.45Å; V643-F646 PolarHBondContact O-N 3.11Å; V643-F646 VanDerWaalsContact O-N 3.08Å; F646-I655 HydrophobicContact CB-CG2 3.99Å; F646-I655 HydrophobicContact CD1-CG2 4.26Å; F646-I655 HydrophobicContact CG-CG2 4.38Å; F646-M656 CarbonylContact C-O 3.59Å; F646-M656 WeakPolarHBondContact CA-O 3.32Å; F646-L657 HydrophobicContact CD1-CD1 4.05Å; F646-L657 HydrophobicContact CE1-CD1 3.6Å; F646-L657 HydrophobicContact CZ-CD1 4.07Å; F646-L658 WeakPolarHBondContact O-CD2 3.42Å; F646-L661 HydrophobicContact CZ-CD2 4.07Å; F646-M668 HydrophobicContact CE2-CB 3.89Å; F646-M668 HydrophobicContact CE2-CG 3.94Å; F646-M668 HydrophobicContact CE2-SD 3.63Å; F646-M668 HydrophobicContact CZ-CB 4.31Å; F646-M668 HydrophobicContact CZ-CG 4.25Å; F646-M668 HydrophobicContact CZ-SD 4.35Å; F646-F670 HydrophobicContact CB-CE1 4.34Å; F646-F670 HydrophobicContact CB-CE2 4.44Å; F646-F670 HydrophobicContact CB-CZ 3.94Å; F646-F670 HydrophobicContact CD1-CZ 4.46Å; F646-F670 AromaticContact CD2-CD1 3.93Å; F646-F670 HydrophobicContact CD2-CD1 3.93Å; F646-F670 AromaticContact CD2-CE1 3.19Å; F646-F670 HydrophobicContact CD2-CE1 3.19Å; F646-F670 AromaticContact CD2-CZ 3.65Å; F646-F670 HydrophobicContact CD2-CZ 3.65Å; F646-F670 HydrophobicContact CE2-CD1 4.29Å; F646-F670 AromaticContact CE2-CE1 3.53Å; F646-F670 HydrophobicContact CE2-CE1 3.53Å; F646-F670 HydrophobicContact CE2-CZ 4.27Å; F646-F670 AromaticContact CG-CE1 3.82Å; F646-F670 HydrophobicContact CG-CE1 3.82Å; F646-F670 AromaticContact CG-CZ 3.76Å; F646-F670 HydrophobicContact CG-CZ 3.76Å; F646-F670 HydrophobicContact CZ-CE1 4.38Å; F646-I690 HydrophobicContact CD1-CD1 4.01Å; F646-I690 HydrophobicContact CE1-CD1 3.63Å; F646-I690 HydrophobicContact CE1-CG2 4.25Å; F646-I690 HydrophobicContact CE2-CD1 4.25Å; F646-I690 HydrophobicContact CG-CD1 4.48Å; F646-I690 HydrophobicContact CZ-CB 4.22Å; F646-I690 HydrophobicContact CZ-CD1 3.77Å; F646-I690 HydrophobicContact CZ-CG2 3.9Å |
| 647 | S | 87.8 | Confident | 81.3 | Confident | 37 Ų | 37 | 50.8 Ų | 50.8 | 26% | 0.259 | 29% | 0.287 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -153.2 | 131.2 | 177.2 | 55.9 | 0 | 0 | 0 | 0 | 110 | M656 | S647-M656 PolarHBondContact N-O 3.01Å; S647-M656 PolarHBondContact O-N 3.42Å |
| 648 | V | 87.9 | Confident | 81.5 | Confident | 22 Ų | 22 | 50.1 Ų | 50.1 | 13% | 0.133 | 28% | 0.278 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.3 | 152.5 | 176.4 | 74.6 | 0 | 0 | 0 | 0 | 112.2 | Y628 L630 G653 E654 I655 | Y628-V648 WeakPolarHBondContact O-CG1 3.15Å; L630-V648 HydrophobicContact CD1-CB 4.2Å; L630-V648 HydrophobicContact CD2-CB 3.92Å; L630-V648 HydrophobicContact CD2-CG1 4.16Å; L630-V648 HydrophobicContact CG-CB 3.77Å; L630-V648 HydrophobicContact CG-CG1 3.82Å; V648-G653 WeakPolarHBondContact CG2-O 3.3Å; V648-E654 CarbonylContact C-O 3.58Å; V648-E654 VanDerWaalsContact CA-O 3.31Å; V648-E654 WeakPolarHBondContact CA-O 3.26Å; V648-I655 HydrophobicContact CB-CG1 4.12Å; V648-I655 HydrophobicContact CG2-CG1 3.81Å |
| 649 | K | 76.5 | Confident | 81.8 | Confident | 97 Ų | 97 | 49.1 Ų | 49.1 | 42% | 0.422 | 26% | 0.264 | S | S | . | . | trans | -77.5 | 124 | 162.8 | -75.9 | -175.4 | -179.5 | 161.9 | 0 | 110.6 | D651 G652 G653 E654 M656 | K649-D651 VanDerWaalsContact C-N 3.26Å; K649-D651 PolarHBondContact O-N 2.99Å; K649-G652 PolarHBondContact O-N 3.13Å; K649-G653 PolarHBondContact O-N 2.92Å; K649-E654 HydrophobicContact CB-CB 4.4Å; K649-E654 HydrophobicContact CD-CB 4.02Å; K649-E654 WeakPolarHBondContact CE-OE2 3.43Å; K649-E654 HydrophobicContact CG-CB 4.24Å; K649-E654 PolarHBondContact N-O 2.78Å; K649-E654 IonicContact NZ-OE2 2.64Å; K649-E654 PolarHBondContact NZ-OE2 3.03Å; K649-M656 HydrophobicContact CG-CE 4.18Å | ||
| 650 | P | 79.8 | Confident | 81.5 | Confident | 66 Ų | 66 | 51.6 Ų | 51.6 | 43% | 0.429 | 29% | 0.285 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -60.3 | -32.9 | 178 | -25.6 | 35.5 | 0 | 0 | 0 | 114.3 | S627 Y628 G652 | S627-P650 CarbonylContact C-O 3.59Å; S627-P650 VanDerWaalsContact CA-O 3.28Å; S627-P650 WeakPolarHBondContact CA-O 3.43Å; Y628-P650 VanDerWaalsContact CD2-O 3.29Å; Y628-P650 WeakPolarHBondContact CD2-O 3.36Å; Y628-P650 PolarHBondContact N-O 2.83Å; Y628-P650 WeakPolarHBondContact O-CA 3.36Å; P650-G652 PolarHBondContact O-N 2.9Å |
| 651 | D | 73.5 | Confident | 81.7 | Confident | 157 Ų | 157 | 50.3 Ų | 50.3 | 84% | 0.84 | 27% | 0.273 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -90.9 | 4.5 | -171 | -35.4 | -38.9 | 0 | 0 | 0 | 113.7 | K649 | K649-D651 VanDerWaalsContact C-N 3.26Å; K649-D651 PolarHBondContact O-N 2.99Å |
| 652 | G | 76.1 | Confident | 81.4 | Confident | 38 Ų | 38 | 46.8 Ų | 46.8 | 39% | 0.392 | 26% | 0.255 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 175.6 | 35.1 | -172.3 | 0 | 0 | 0 | 0 | 0 | 116.1 | K649 P650 E654 | K649-G652 PolarHBondContact O-N 3.13Å; P650-G652 PolarHBondContact O-N 2.9Å; G652-E654 PolarHBondContact O-N 3.03Å |
| 653 | G | 83 | Confident | 80.6 | Confident | 0 Ų | 0 | 51.9 Ų | 51.9 | 0% | 0 | 29% | 0.286 | C | S | . | . | trans | 60.7 | 2.4 | 158.5 | 0 | 0 | 0 | 0 | 0 | 119.4 | T612 V613 V648 K649 I655 | T612-G653 WeakPolarHBondContact CA-O 3.3Å; V613-G653 WeakPolarHBondContact CG2-O 3.43Å; V613-G653 PolarHBondContact N-O 2.96Å; V613-G653 WeakPolarHBondContact O-CA 3.06Å; V648-G653 WeakPolarHBondContact CG2-O 3.3Å; K649-G653 PolarHBondContact O-N 2.92Å; G653-I655 PolarHBondContact O-N 3.01Å | ||
| 654 | E | 77.1 | Confident | 79.7 | Confident | 48 Ų | 48 | 60.1 Ų | 60.1 | 22% | 0.224 | 32% | 0.323 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -71 | 112 | -177.5 | -173.1 | 177.3 | -154.8 | 0 | 0 | 111.4 | S609 V648 K649 G652 M656 | S609-E654 WeakPolarHBondContact CB-OE1 3.14Å; S609-E654 VanDerWaalsContact OG-CG 3.24Å; S609-E654 WeakPolarHBondContact OG-CG 3.2Å; S609-E654 PolarHBondContact OG-OE1 2.69Å; V648-E654 CarbonylContact C-O 3.58Å; V648-E654 VanDerWaalsContact CA-O 3.31Å; V648-E654 WeakPolarHBondContact CA-O 3.26Å; K649-E654 HydrophobicContact CB-CB 4.4Å; K649-E654 HydrophobicContact CD-CB 4.02Å; K649-E654 WeakPolarHBondContact CE-OE2 3.43Å; K649-E654 HydrophobicContact CG-CB 4.24Å; K649-E654 PolarHBondContact N-O 2.78Å; K649-E654 IonicContact NZ-OE2 2.64Å; K649-E654 PolarHBondContact NZ-OE2 3.03Å; G652-E654 PolarHBondContact O-N 3.03Å; E654-M656 HydrophobicContact CG-CG 4.25Å |
| 655 | I | 82.8 | Confident | 79.3 | Confident | 0 Ų | 0 | 59.6 Ų | 59.6 | 0% | 0 | 32% | 0.318 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.1 | 116.8 | 179.5 | -61.1 | 179.7 | 0 | 0 | 0 | 109.3 | V610 L611 V613 L630 F646 V648 G653 F670 A672 V688 | V610-I655 PolarHBondContact N-O 3.39Å; L611-I655 HydrophobicContact CD1-CD1 3.88Å; L611-I655 WeakPolarHBondContact O-CA 3.47Å; L611-I655 WeakPolarHBondContact O-CB 3.14Å; L611-I655 PolarHBondContact O-N 2.76Å; V613-I655 HydrophobicContact CG1-CD1 3.75Å; L630-I655 HydrophobicContact CD1-CG2 4.31Å; L630-I655 HydrophobicContact CD2-CD1 3.86Å; L630-I655 HydrophobicContact CD2-CG1 4.17Å; F646-I655 HydrophobicContact CB-CG2 3.99Å; F646-I655 HydrophobicContact CD1-CG2 4.26Å; F646-I655 HydrophobicContact CG-CG2 4.38Å; V648-I655 HydrophobicContact CB-CG1 4.12Å; V648-I655 HydrophobicContact CG2-CG1 3.81Å; G653-I655 PolarHBondContact O-N 3.01Å; I655-F670 HydrophobicContact CD1-CE2 4.21Å; I655-F670 HydrophobicContact CG2-CE2 4.29Å; I655-F670 HydrophobicContact CG2-CZ 4.05Å; I655-A672 HydrophobicContact CD1-CB 4.44Å; I655-V688 HydrophobicContact CD1-CG1 4.1Å; I655-V688 HydrophobicContact CD1-CG2 4.03Å |
| 656 | M | 77.6 | Confident | 78.9 | Confident | 48 Ų | 48 | 61.9 Ų | 61.9 | 24% | 0.236 | 33% | 0.334 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.7 | 150.5 | -178.6 | -58.4 | 178.7 | -73.1 | 0 | 0 | 111.8 | R608 F646 S647 K649 E654 L658 | R608-M656 CarbonylContact O-C 3.52Å; R608-M656 VanDerWaalsContact O-CA 3.26Å; R608-M656 WeakPolarHBondContact O-CA 2.98Å; F646-M656 CarbonylContact C-O 3.59Å; F646-M656 WeakPolarHBondContact CA-O 3.32Å; S647-M656 PolarHBondContact N-O 3.01Å; S647-M656 PolarHBondContact O-N 3.42Å; K649-M656 HydrophobicContact CG-CE 4.18Å; E654-M656 HydrophobicContact CG-CG 4.25Å; M656-L658 PolarHBondContact O-N 2.84Å |
| 657 | L | 80.1 | Confident | 78.5 | Confident | 1 Ų | 1 | 66.3 Ų | 66.3 | 1% | 0.005 | 35% | 0.35 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -71.8 | 113.3 | 174.6 | -174.4 | 73.2 | 0 | 0 | 0 | 111.1 | I600 T604 G607 R608 V610 Y645 F646 R659 L661 | I600-L657 HydrophobicContact CD1-CB 4.13Å; I600-L657 HydrophobicContact CD1-CD1 3.98Å; I600-L657 HydrophobicContact CD1-CD2 4.02Å; I600-L657 HydrophobicContact CD1-CG 4.27Å; T604-L657 HydrophobicContact CG2-CD2 4.1Å; T604-L657 WeakPolarHBondContact O-CD2 2.97Å; G607-L657 PolarHBondContact N-O 3.43Å; R608-L657 PolarHBondContact O-N 3.43Å; V610-L657 HydrophobicContact CG2-CB 4.18Å; Y645-L657 CarbonylContact O-C 3.54Å; Y645-L657 WeakPolarHBondContact O-CD1 3.42Å; F646-L657 HydrophobicContact CD1-CD1 4.05Å; F646-L657 HydrophobicContact CE1-CD1 3.6Å; F646-L657 HydrophobicContact CZ-CD1 4.07Å; L657-R659 VanDerWaalsContact CD1-O 3.27Å; L657-R659 WeakPolarHBondContact CD1-O 3.19Å; L657-R659 WeakPolarHBondContact CG-O 3.23Å; L657-L661 HydrophobicContact CD1-CD1 4.41Å; L657-L661 HydrophobicContact CD1-CD2 3.64Å; L657-L661 HydrophobicContact CD1-CG 3.84Å; L657-L661 HydrophobicContact CD2-CD1 4.5Å; L657-L661 HydrophobicContact CD2-CG 4.37Å |
| 658 | L | 79.5 | Confident | 78.4 | Confident | 83 Ų | 83 | 64.5 Ų | 64.5 | 44% | 0.435 | 34% | 0.338 | S | S | . | . | trans | -88.8 | -28.9 | -179.3 | -177 | 64.4 | 0 | 0 | 0 | 113.6 | I606 Y645 F646 M656 | I606-L658 VanDerWaalsContact CG2-O 3.31Å; I606-L658 WeakPolarHBondContact CG2-O 3.43Å; Y645-L658 WeakPolarHBondContact O-CA 3.19Å; Y645-L658 PolarHBondContact O-N 2.83Å; F646-L658 WeakPolarHBondContact O-CD2 3.42Å; M656-L658 PolarHBondContact O-N 2.84Å | ||
| 659 | R | 80.4 | Confident | 78.4 | Confident | 119 Ų | 119 | 64.5 Ų | 64.5 | 45% | 0.449 | 34% | 0.337 | S | S | . | . | S | Bend | trans | -136.9 | 153.7 | 179.7 | -58.6 | -176.2 | -170.6 | 174.6 | 8.9 | 112 | N644 Y645 L657 L661 | N644-R659 WeakPolarHBondContact O-CD 3.47Å; N644-R659 WeakPolarHBondContact O-CG 3.2Å; N644-R659 PolarHBondContact O-NE 3.11Å; Y645-R659 HydrophobicContact CD1-CB 3.73Å; Y645-R659 HydrophobicContact CE1-CB 4.3Å; Y645-R659 HydrophobicContact CG-CB 4.32Å; Y645-R659 PolarHBondContact O-N 3.37Å; L657-R659 VanDerWaalsContact CD1-O 3.27Å; L657-R659 WeakPolarHBondContact CD1-O 3.19Å; L657-R659 WeakPolarHBondContact CG-O 3.23Å; R659-L661 PolarHBondContact O-N 2.88Å |
| 660 | S | 77.3 | Confident | 79 | Confident | 86 Ų | 86 | 59.9 Ų | 59.9 | 60% | 0.601 | 32% | 0.317 | S | S | * | . | P | Polyproline II helix | trans | -59 | 128.4 | 172.8 | -57.7 | 0 | 0 | 0 | 0 | 110.4 | Y645 | Y645-S660 WeakPolarHBondContact CD1-O 3.22Å; Y645-S660 VanDerWaalsContact CE1-O 3.3Å; Y645-S660 WeakPolarHBondContact CE1-O 3.26Å |
| 661 | L | 81.4 | Confident | 79.5 | Confident | 12 Ų | 12 | 57.3 Ų | 57.3 | 6% | 0.063 | 30% | 0.299 | C | S | . | . | P | Polyproline II helix | trans | -60.8 | 141.1 | -176.6 | -64.2 | 160.6 | 0 | 0 | 0 | 111.4 | I600 S601 R602 F646 L657 R659 M668 I692 | I600-L661 HydrophobicContact CB-CD1 4.45Å; I600-L661 HydrophobicContact CD1-CD1 4.13Å; I600-L661 HydrophobicContact CG1-CD1 4.09Å; I600-L661 HydrophobicContact CG2-CD1 3.6Å; I600-L661 HydrophobicContact CG2-CD2 4.38Å; S601-L661 WeakPolarHBondContact O-CD1 3.34Å; R602-L661 HydrophobicContact CG-CB 4.36Å; F646-L661 HydrophobicContact CZ-CD2 4.07Å; L657-L661 HydrophobicContact CD1-CD1 4.41Å; L657-L661 HydrophobicContact CD1-CD2 3.64Å; L657-L661 HydrophobicContact CD1-CG 3.84Å; L657-L661 HydrophobicContact CD2-CD1 4.5Å; L657-L661 HydrophobicContact CD2-CG 4.37Å; R659-L661 PolarHBondContact O-N 2.88Å; L661-M668 HydrophobicContact CD2-CE 4.06Å; L661-M668 HydrophobicContact CD2-CG 4.49Å; L661-I692 HydrophobicContact CB-CD1 4.41Å; L661-I692 HydrophobicContact CD1-CG1 4.42Å; L661-I692 HydrophobicContact CD1-CG2 4.3Å; L661-I692 HydrophobicContact CD2-CD1 4.03Å; L661-I692 HydrophobicContact CD2-CG1 4.19Å |
| 662 | P | 74.1 | Confident | 80.2 | Confident | 30 Ų | 30 | 49.9 Ų | 49.9 | 20% | 0.195 | 26% | 0.259 | C | S | . | . | P | Polyproline II helix | trans | -74.2 | 145.1 | -178.7 | 32.1 | -30.5 | 0 | 0 | 0 | 110 | Y645 E664 K665 M668 | Y645-P662 HydrophobicContact CE1-CB 4.39Å; Y645-P662 HydrophobicContact CE1-CG 4.09Å; P662-E664 PolarHBondContact O-N 3.19Å; P662-K665 HydrophobicContact CG-CB 4.13Å; P662-K665 HydrophobicContact CG-CG 4.29Å; P662-M668 HydrophobicContact CG-CE 3.47Å; P662-M668 VanDerWaalsContact CG-CE 3.47Å |
| 663 | V | 69 | Low | 80.8 | Confident | 110 Ų | 110 | 49.1 Ų | 49.1 | 67% | 0.667 | 25% | 0.246 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -71.5 | -18.5 | -174.5 | -170.9 | 0 | 0 | 0 | 0 | 112.4 | R602 | R602-V663 PolarHBondContact NH1-O 2.73Å; R602-V663 PolarHBondContact NH2-O 3.18Å |
| 664 | E | 68.5 | Low | 81 | Confident | 194 Ų | 194 | 49.1 Ų | 49.1 | 91% | 0.907 | 25% | 0.246 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -99.3 | -1.5 | -172.1 | -59.7 | -177.9 | -122.7 | 0 | 0 | 113.5 | P662 | P662-E664 PolarHBondContact O-N 3.19Š|
| 665 | K | 76.3 | Confident | 81.3 | Confident | 48 Ų | 48 | 51.7 Ų | 51.7 | 21% | 0.209 | 25% | 0.254 | C | S | . | . | trans | -109.5 | 142 | 171.9 | -70.1 | -162.4 | 166.8 | -170.1 | 0 | 112.6 | R602 D638 H639 D642 P662 M668 I692 | R602-K665 PolarHBondContact NH2-O 2.69Å; D638-K665 PolarHBondContact O-NZ 2.94Å; H639-K665 PolarHBondContact ND1-NZ 2.86Å; D642-K665 WeakPolarHBondContact OD1-CD 3.24Å; D642-K665 WeakPolarHBondContact OD1-CE 3.5Å; D642-K665 IonicContact OD1-NZ 3.75Å; D642-K665 PolarHBondContact OD1-NZ 2.83Å; D642-K665 IonicContact OD2-NZ 3.1Å; D642-K665 PolarHBondContact OD2-NZ 3.16Å; P662-K665 HydrophobicContact CG-CB 4.13Å; P662-K665 HydrophobicContact CG-CG 4.29Å; K665-M668 HydrophobicContact CD-CE 4.47Å; K665-I692 HydrophobicContact CB-CD1 3.98Å; K665-I692 WeakPolarHBondContact O-CD1 3.47Å | ||
| 666 | N | 77.9 | Confident | 81.3 | Confident | 97 Ų | 97 | 52 Ų | 52 | 52% | 0.519 | 26% | 0.255 | S | S | . | . | S | Bend | trans | -110.3 | -4.4 | 172.4 | -66.5 | 2.4 | 0 | 0 | 0 | 112.3 | R602 I692 | R602-N666 PolarHBondContact NH2-OD1 3.25Å; N666-I692 PolarHBondContact O-N 2.78Å |
| 667 | R | 82.1 | Confident | 81.2 | Confident | 99 Ų | 99 | 52.6 Ų | 52.6 | 37% | 0.374 | 27% | 0.265 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -149.3 | 145 | 178.3 | 179.2 | 168.3 | -74 | -148.2 | -13.5 | 109.9 | M669 T689 I690 D691 | R667-M669 HydrophobicContact CG-CG 4.2Å; R667-M669 HydrophobicContact CG-SD 4.43Å; R667-T689 HydrophobicContact CG-CG2 3.93Å; R667-I690 CarbonylContact C-O 3.52Å; R667-D691 VanDerWaalsContact CB-OD1 3.32Å; R667-D691 WeakPolarHBondContact CB-OD1 3.36Å; R667-D691 WeakPolarHBondContact CG-OD1 3.32Å; R667-D691 IonicContact CZ-OD1 3.74Å; R667-D691 IonicContact CZ-OD2 2.76Å; R667-D691 IonicContact NE-OD1 2.9Å; R667-D691 PolarHBondContact NE-OD1 3.18Å; R667-D691 IonicContact NE-OD2 3.84Å; R667-D691 IonicContact NH2-OD1 2.81Å; R667-D691 PolarHBondContact NH2-OD1 3.02Å; R667-D691 IonicContact NH2-OD2 3.55Å; R667-D691 PolarHBondContact NH2-OD2 2.83Å |
| 668 | M | 86.1 | Confident | 80.9 | Confident | 0 Ų | 0 | 53 Ų | 53 | 0% | 0 | 27% | 0.269 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.5 | 142.7 | 173.8 | -72.8 | -109 | 167.1 | 0 | 0 | 110.2 | D642 Y645 F646 L661 P662 K665 T689 I690 I692 | D642-M668 HydrophobicContact CB-CB 4.15Å; D642-M668 HydrophobicContact CB-CG 4.31Å; D642-M668 HydrophobicContact CB-SD 3.39Å; D642-M668 WeakPolarHBondContact CB-SD 2.98Å; D642-M668 VanDerWaalsContact OD2-CA 3.29Å; D642-M668 WeakPolarHBondContact OD2-CA 3.4Å; Y645-M668 HydrophobicContact CD1-CE 4.07Å; Y645-M668 HydrophobicContact CD2-CE 3.71Å; Y645-M668 HydrophobicContact CD2-SD 3.96Å; Y645-M668 HydrophobicContact CE1-CE 4.38Å; Y645-M668 HydrophobicContact CE2-CE 4.03Å; Y645-M668 HydrophobicContact CG-CE 3.72Å; Y645-M668 HydrophobicContact CG-SD 4.06Å; F646-M668 HydrophobicContact CE2-CB 3.89Å; F646-M668 HydrophobicContact CE2-CG 3.94Å; F646-M668 HydrophobicContact CE2-SD 3.63Å; F646-M668 HydrophobicContact CZ-CB 4.31Å; F646-M668 HydrophobicContact CZ-CG 4.25Å; F646-M668 HydrophobicContact CZ-SD 4.35Å; L661-M668 HydrophobicContact CD2-CE 4.06Å; L661-M668 HydrophobicContact CD2-CG 4.49Å; P662-M668 HydrophobicContact CG-CE 3.47Å; P662-M668 VanDerWaalsContact CG-CE 3.47Å; K665-M668 HydrophobicContact CD-CE 4.47Å; M668-T689 CarbonylContact O-C 3.22Å; M668-T689 WeakPolarHBondContact O-CA 3.25Å; M668-I690 HydrophobicContact CB-CB 4.25Å; M668-I690 PolarHBondContact N-O 2.84Å; M668-I690 PolarHBondContact O-N 2.98Å; M668-I692 HydrophobicContact CE-CD1 3.98Å; M668-I692 HydrophobicContact CG-CD1 3.67Å; M668-I692 HydrophobicContact CG-CG1 4.24Å |
| 669 | M | 86.6 | Confident | 80 | Confident | 22 Ų | 22 | 56.3 Ų | 56.3 | 11% | 0.108 | 29% | 0.287 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -142 | 134.2 | 179 | -66.1 | 174 | 68.8 | 0 | 0 | 111.5 | E636 H639 D642 R667 V688 T689 | E636-M669 HydrophobicContact CG-CE 4.11Å; H639-M669 HydrophobicContact CB-CB 4.03Å; D642-M669 PolarHBondContact OD2-N 2.88Å; R667-M669 HydrophobicContact CG-CG 4.2Å; R667-M669 HydrophobicContact CG-SD 4.43Å; M669-V688 WeakPolarHBondContact CA-O 3.25Å; M669-T689 HydrophobicContact CG-CG2 3.92Å; M669-T689 HydrophobicContact SD-CG2 4.48Å |
| 670 | F | 90.5 | Very high | 79.3 | Confident | 0 Ų | 0 | 55.1 Ų | 55.1 | 0% | 0 | 30% | 0.295 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -160.1 | 175.8 | 178.1 | 53.7 | -86.8 | 0 | 0 | 0 | 110.5 | L630 V643 F646 I655 V688 I690 | L630-F670 HydrophobicContact CD1-CD2 4.25Å; L630-F670 HydrophobicContact CD1-CE2 3.81Å; L630-F670 HydrophobicContact CD2-CD2 4.11Å; L630-F670 HydrophobicContact CD2-CE2 3.84Å; L630-F670 HydrophobicContact CG-CE2 4.36Å; V643-F670 HydrophobicContact CB-CB 3.81Å; V643-F670 HydrophobicContact CB-CG 4.33Å; V643-F670 HydrophobicContact CG2-CB 4.13Å; V643-F670 HydrophobicContact CG2-CD2 4.39Å; V643-F670 HydrophobicContact CG2-CG 4.39Å; F646-F670 HydrophobicContact CB-CE1 4.34Å; F646-F670 HydrophobicContact CB-CE2 4.44Å; F646-F670 HydrophobicContact CB-CZ 3.94Å; F646-F670 HydrophobicContact CD1-CZ 4.46Å; F646-F670 AromaticContact CD2-CD1 3.93Å; F646-F670 HydrophobicContact CD2-CD1 3.93Å; F646-F670 AromaticContact CD2-CE1 3.19Å; F646-F670 HydrophobicContact CD2-CE1 3.19Å; F646-F670 AromaticContact CD2-CZ 3.65Å; F646-F670 HydrophobicContact CD2-CZ 3.65Å; F646-F670 HydrophobicContact CE2-CD1 4.29Å; F646-F670 AromaticContact CE2-CE1 3.53Å; F646-F670 HydrophobicContact CE2-CE1 3.53Å; F646-F670 HydrophobicContact CE2-CZ 4.27Å; F646-F670 AromaticContact CG-CE1 3.82Å; F646-F670 HydrophobicContact CG-CE1 3.82Å; F646-F670 AromaticContact CG-CZ 3.76Å; F646-F670 HydrophobicContact CG-CZ 3.76Å; F646-F670 HydrophobicContact CZ-CE1 4.38Å; I655-F670 HydrophobicContact CD1-CE2 4.21Å; I655-F670 HydrophobicContact CG2-CE2 4.29Å; I655-F670 HydrophobicContact CG2-CZ 4.05Å; F670-V688 HydrophobicContact CD2-CB 4.11Å; F670-V688 HydrophobicContact CE1-CG1 4.36Å; F670-V688 HydrophobicContact CE2-CB 3.79Å; F670-V688 HydrophobicContact CE2-CG1 3.84Å; F670-V688 HydrophobicContact CE2-CG2 4.25Å; F670-V688 HydrophobicContact CZ-CB 4.07Å; F670-V688 HydrophobicContact CZ-CG1 3.7Å; F670-V688 PolarHBondContact N-O 2.94Å; F670-V688 PolarHBondContact O-N 2.9Å; F670-I690 HydrophobicContact CE1-CD1 3.82Å; F670-I690 HydrophobicContact CE1-CG1 4.46Å; F670-I690 HydrophobicContact CZ-CD1 3.68Å |
| 671 | L | 89.5 | Confident | 79.3 | Confident | 12 Ų | 12 | 53 Ų | 53 | 6% | 0.063 | 28% | 0.279 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.1 | 142.3 | 177.2 | -57.3 | 175.4 | 0 | 0 | 0 | 110.7 | L630 Q631 D633 V686 R687 | L630-L671 CarbonylContact C-O 3.58Å; L630-L671 VanDerWaalsContact CA-O 3.32Å; L630-L671 WeakPolarHBondContact CA-O 3.34Å; Q631-L671 PolarHBondContact N-O 3.44Å; Q631-L671 PolarHBondContact O-N 3.23Å; D633-L671 HydrophobicContact CB-CD1 4.48Å; D633-L671 HydrophobicContact CB-CD2 4.28Å; D633-L671 HydrophobicContact CB-CG 3.95Å; L671-V686 CarbonylContact C-O 3.57Å; L671-V686 VanDerWaalsContact CA-O 3.27Å; L671-V686 WeakPolarHBondContact CA-O 3.28Å; L671-R687 HydrophobicContact CD2-CB 4.22Å |
| 672 | A | 89.3 | Confident | 79.3 | Confident | 0 Ų | 0 | 57.4 Ų | 57.4 | 0% | 0 | 30% | 0.295 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.1 | 148.4 | 157.7 | 0 | 0 | 0 | 0 | 0 | 109.2 | F591 V613 Q629 L630 I655 Q685 V686 V688 | F591-A672 HydrophobicContact CZ-CB 4.28Å; V613-A672 HydrophobicContact CG1-CB 4.28Å; V613-A672 HydrophobicContact CG2-CB 4.27Å; Q629-A672 CarbonylContact O-C 3.51Å; Q629-A672 WeakPolarHBondContact O-CA 3.48Å; L630-A672 HydrophobicContact CD2-CB 3.64Å; I655-A672 HydrophobicContact CD1-CB 4.44Å; A672-Q685 CarbonylContact O-C 3.58Å; A672-Q685 VanDerWaalsContact O-CA 3.24Å; A672-Q685 WeakPolarHBondContact O-CA 3.43Å; A672-V686 HydrophobicContact CB-CG1 3.81Å; A672-V686 PolarHBondContact N-O 3.34Å; A672-V686 PolarHBondContact O-N 2.82Å; A672-V688 HydrophobicContact CB-CG2 3.87Å |
| 673 | I | 87.4 | Confident | 79.7 | Confident | 23 Ų | 23 | 59.3 Ų | 59.3 | 12% | 0.118 | 31% | 0.309 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.6 | 130.6 | -176.5 | -55.6 | -178.5 | 0 | 0 | 0 | 108 | Y628 Q629 Q631 T684 Q685 | Y628-I673 CarbonylContact C-O 3.46Å; Y628-I673 VanDerWaalsContact CA-O 3.26Å; Y628-I673 WeakPolarHBondContact CA-O 3.05Å; Q629-I673 HydrophobicContact CB-CB 4.45Å; Q629-I673 PolarHBondContact N-O 3.46Å; Q629-I673 PolarHBondContact O-N 3.06Å; Q631-I673 HydrophobicContact CB-CD1 3.74Å; Q631-I673 HydrophobicContact CB-CG1 4.43Å; Q631-I673 HydrophobicContact CG-CD1 4.5Å; I673-T684 CarbonylContact C-O 3.47Å; I673-T684 VanDerWaalsContact CA-O 3.3Å; I673-T684 WeakPolarHBondContact CA-O 3.46Å; I673-T684 WeakPolarHBondContact CG2-O 3.43Å; I673-Q685 HydrophobicContact CG1-CB 3.96Å |
| 674 | A | 87.2 | Confident | 80.5 | Confident | 0 Ų | 0 | 56.4 Ų | 56.4 | 0% | 0 | 29% | 0.292 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.7 | 138.1 | 169.1 | 0 | 0 | 0 | 0 | 0 | 108.4 | P589 F591 A615 I626 S627 Y628 S683 T684 | P589-A674 HydrophobicContact CB-CB 4.15Å; P589-A674 HydrophobicContact CG-CB 4.12Å; F591-A674 HydrophobicContact CD2-CB 4.28Å; F591-A674 HydrophobicContact CE1-CB 4.1Å; F591-A674 HydrophobicContact CE2-CB 3.61Å; F591-A674 HydrophobicContact CZ-CB 3.52Å; F591-A674 VanDerWaalsContact CZ-N 3.33Å; A615-A674 HydrophobicContact CB-CB 3.72Å; I626-A674 HydrophobicContact CG2-CB 3.87Å; S627-A674 CarbonylContact O-C 3.55Å; S627-A674 WeakPolarHBondContact O-CA 3.25Å; Y628-A674 HydrophobicContact CD1-CB 4.14Å; Y628-A674 HydrophobicContact CE1-CB 4.05Å; A674-S683 CarbonylContact O-C 3.56Å; A674-S683 WeakPolarHBondContact O-CA 3.27Å; A674-S683 WeakPolarHBondContact O-CB 3.47Å; A674-T684 PolarHBondContact N-O 3.09Å; A674-T684 PolarHBondContact O-N 2.99Å |
| 675 | R | 83.8 | Confident | 81.3 | Confident | 102 Ų | 102 | 52.6 Ų | 52.6 | 39% | 0.385 | 27% | 0.274 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -145.8 | 126.7 | -176.5 | 168.6 | 161.3 | -139.7 | -162 | 6.5 | 110.9 | I626 S627 P681 R682 | I626-R675 CarbonylContact C-O 3.32Å; I626-R675 WeakPolarHBondContact CA-O 3.25Å; S627-R675 PolarHBondContact N-O 2.82Å; S627-R675 PolarHBondContact O-N 2.82Å; S627-R675 PolarHBondContact OG-O 2.75Å; R675-P681 PolarHBondContact NE-O 3.09Å; R675-P681 PolarHBondContact NH2-O 3.1Å; R675-R682 WeakPolarHBondContact CG-O 3.45Å |
| 676 | D | 83.9 | Confident | 81.8 | Confident | 6 Ų | 6 | 50.6 Ų | 50.6 | 3% | 0.032 | 27% | 0.266 | C | S | . | . | trans | -73.3 | -169.2 | 179.5 | 58.4 | 70.3 | 0 | 0 | 0 | 113.5 | P589 D617 R625 G678 P681 R682 | P589-D676 WeakPolarHBondContact CD-OD2 3.46Å; P589-D676 HydrophobicContact CG-CB 4.35Å; D617-D676 WeakPolarHBondContact OD2-CB 3.45Å; R625-D676 CarbonylContact O-C 3.53Å; R625-D676 VanDerWaalsContact O-CA 3.28Å; R625-D676 WeakPolarHBondContact O-CA 3.47Å; D676-G678 PolarHBondContact OD1-N 3.13Å; D676-P681 WeakPolarHBondContact OD1-CA 3.26Å; D676-P681 VanDerWaalsContact OD1-CB 3.26Å; D676-P681 WeakPolarHBondContact OD1-CB 3.01Å; D676-R682 VanDerWaalsContact CG-N 3.34Å; D676-R682 PolarHBondContact OD1-N 2.78Å; D676-R682 WeakPolarHBondContact OD2-CA 3.29Å; D676-R682 VanDerWaalsContact OD2-CB 3.26Å; D676-R682 WeakPolarHBondContact OD2-CB 3.28Å; D676-R682 PolarHBondContact OD2-N 2.71Å | ||
| 677 | S | 73.6 | Confident | 82.2 | Confident | 61 Ų | 61 | 49.7 Ų | 49.7 | 43% | 0.427 | 26% | 0.255 | S | S | . | . | S | Bend | trans | -116.2 | 15.3 | -178.7 | -61.5 | 0 | 0 | 0 | 0 | 113.6 | N623 R625 | N623-S677 PolarHBondContact O-N 3.05Å; R625-S677 WeakPolarHBondContact CB-OG 3.26Å; R625-S677 PolarHBondContact O-N 3.24Å; R625-S677 VanDerWaalsContact O-N 3.09Å; R625-S677 PolarHBondContact O-OG 2.86Å |
| 678 | G | 75 | Confident | 82.4 | Confident | 10 Ų | 10 | 45 Ų | 45 | 10% | 0.103 | 24% | 0.237 | C | C | . | . | trans | -64 | -178.6 | -178.8 | 0 | 0 | 0 | 0 | 0 | 116.9 | N585 D676 P681 | N585-G678 WeakPolarHBondContact OD1-CA 3.27Å; D676-G678 PolarHBondContact OD1-N 3.13Å; G678-P681 VanDerWaalsContact O-CB 3.24Å; G678-P681 WeakPolarHBondContact O-CB 3.42Å; G678-P681 WeakPolarHBondContact O-CD 3.31Å; G678-P681 WeakPolarHBondContact O-CG 3.18Å | ||
| 679 | D | 59.5 | Low | 82.3 | Confident | 151 Ų | 151 | 45.3 Ų | 45.3 | 81% | 0.807 | 24% | 0.239 | S | C | * | . | S | Bend | trans | -138.3 | 104.7 | 161.7 | -159.4 | 10.1 | 0 | 0 | 0 | 110.6 | ||
| 680 | P | 66.4 | Low | 82.2 | Confident | 95 Ų | 95 | 44.2 Ų | 44.2 | 62% | 0.617 | 23% | 0.234 | S | C | * | . | S | Bend | cis | -78.9 | 130 | 3.9 | 31.7 | -33.7 | 0 | 0 | 0 | 112.6 | R682 | P680-R682 PolarHBondContact O-N 3.04Š|
| 681 | P | 76.4 | Confident | 81.4 | Confident | 41 Ų | 41 | 46.9 Ų | 46.9 | 27% | 0.266 | 25% | 0.248 | S | C | . | . | trans | -75.1 | 123.1 | -176 | 20.4 | -18.5 | 0 | 0 | 0 | 111.7 | R675 D676 G678 | R675-P681 PolarHBondContact NE-O 3.09Å; R675-P681 PolarHBondContact NH2-O 3.1Å; D676-P681 WeakPolarHBondContact OD1-CA 3.26Å; D676-P681 VanDerWaalsContact OD1-CB 3.26Å; D676-P681 WeakPolarHBondContact OD1-CB 3.01Å; G678-P681 VanDerWaalsContact O-CB 3.24Å; G678-P681 WeakPolarHBondContact O-CB 3.42Å; G678-P681 WeakPolarHBondContact O-CD 3.31Å; G678-P681 WeakPolarHBondContact O-CG 3.18Å | ||
| 682 | R | 82.7 | Confident | 80.5 | Confident | 104 Ų | 104 | 46.6 Ų | 46.6 | 39% | 0.392 | 25% | 0.247 | S | C | . | . | trans | -85.9 | 178.1 | -173.8 | -66.7 | 160.8 | 170.3 | -124.4 | 13.9 | 110.2 | N585 D586 N587 A588 R675 D676 P680 | N585-R682 PolarHBondContact O-NE 3.18Å; N585-R682 VanDerWaalsContact O-NE 3.13Å; D586-R682 PolarHBondContact O-NH1 2.77Å; D586-R682 PolarHBondContact O-NH2 2.72Å; D586-R682 VanDerWaalsContact O-NH2 3.14Å; N587-R682 WeakPolarHBondContact O-CD 3.37Å; A588-R682 HydrophobicContact CB-CB 3.79Å; R675-R682 WeakPolarHBondContact CG-O 3.45Å; D676-R682 VanDerWaalsContact CG-N 3.34Å; D676-R682 PolarHBondContact OD1-N 2.78Å; D676-R682 WeakPolarHBondContact OD2-CA 3.29Å; D676-R682 VanDerWaalsContact OD2-CB 3.26Å; D676-R682 WeakPolarHBondContact OD2-CB 3.28Å; D676-R682 PolarHBondContact OD2-N 2.71Å; P680-R682 PolarHBondContact O-N 3.04Å | ||
| 683 | S | 82.6 | Confident | 78.8 | Confident | 70 Ų | 70 | 47.6 Ų | 47.6 | 49% | 0.49 | 26% | 0.255 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -170.1 | 141.5 | -179.1 | 59.7 | 0 | 0 | 0 | 0 | 114.4 | A674 | A674-S683 CarbonylContact O-C 3.56Å; A674-S683 WeakPolarHBondContact O-CA 3.27Å; A674-S683 WeakPolarHBondContact O-CB 3.47Å |
| 684 | T | 85.9 | Confident | 76.8 | Confident | 50 Ų | 50 | 53 Ų | 53 | 31% | 0.307 | 28% | 0.28 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.4 | 156.7 | 175.6 | -53.8 | 0 | 0 | 0 | 0 | 110.6 | P589 F591 I673 A674 | P589-T684 WeakPolarHBondContact O-CB 3.29Å; P589-T684 PolarHBondContact O-OG1 3.35Å; F591-T684 HydrophobicContact CD2-CG2 4.26Å; I673-T684 CarbonylContact C-O 3.47Å; I673-T684 VanDerWaalsContact CA-O 3.3Å; I673-T684 WeakPolarHBondContact CA-O 3.46Å; I673-T684 WeakPolarHBondContact CG2-O 3.43Å; A674-T684 PolarHBondContact N-O 3.09Å; A674-T684 PolarHBondContact O-N 2.99Å |
| 685 | Q | 84.5 | Confident | 74.3 | Confident | 113 Ų | 113 | 57 Ų | 57 | 53% | 0.528 | 31% | 0.313 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.1 | 145.1 | 177.9 | 67.1 | -178.6 | 2.3 | 0 | 0 | 112.9 | A672 I673 | A672-Q685 CarbonylContact O-C 3.58Å; A672-Q685 VanDerWaalsContact O-CA 3.24Å; A672-Q685 WeakPolarHBondContact O-CA 3.43Å; I673-Q685 HydrophobicContact CG1-CB 3.96Å |
| 686 | V | 87.3 | Confident | 71.8 | Confident | 7 Ų | 7 | 54.6 Ų | 54.6 | 4% | 0.042 | 31% | 0.314 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.2 | 145.1 | -174.1 | 65.8 | 0 | 0 | 0 | 0 | 111.2 | F591 R593 G594 Y596 L671 A672 | F591-V686 HydrophobicContact CB-CB 4.38Å; F591-V686 HydrophobicContact CD1-CG1 3.83Å; F591-V686 HydrophobicContact CD2-CB 3.69Å; F591-V686 HydrophobicContact CD2-CG1 3.65Å; F591-V686 HydrophobicContact CE1-CG1 3.76Å; F591-V686 HydrophobicContact CE2-CB 3.97Å; F591-V686 HydrophobicContact CE2-CG1 3.55Å; F591-V686 HydrophobicContact CG-CB 3.97Å; F591-V686 HydrophobicContact CG-CG1 3.78Å; F591-V686 HydrophobicContact CZ-CB 4.49Å; F591-V686 HydrophobicContact CZ-CG1 3.6Å; R593-V686 WeakPolarHBondContact O-CG2 3.29Å; G594-V686 WeakPolarHBondContact O-CG2 3.17Å; Y596-V686 HydrophobicContact CD2-CG1 3.94Å; Y596-V686 HydrophobicContact CD2-CG2 3.72Å; Y596-V686 HydrophobicContact CE2-CB 4.33Å; Y596-V686 HydrophobicContact CE2-CG1 3.74Å; Y596-V686 HydrophobicContact CE2-CG2 3.74Å; L671-V686 CarbonylContact C-O 3.57Å; L671-V686 VanDerWaalsContact CA-O 3.27Å; L671-V686 WeakPolarHBondContact CA-O 3.28Å; A672-V686 HydrophobicContact CB-CG1 3.81Å; A672-V686 PolarHBondContact N-O 3.34Å; A672-V686 PolarHBondContact O-N 2.82Å |
| 687 | R | 86.1 | Confident | 69.6 | Low | 77 Ų | 77 | 59.4 Ų | 59.4 | 29% | 0.291 | 34% | 0.337 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -83 | 132.6 | 179.1 | -168.8 | -175.5 | -66.4 | -107.4 | 4.5 | 111.7 | T595 Y596 D633 S635 L671 | T595-R687 WeakPolarHBondContact CA-O 3.19Å; T595-R687 HydrophobicContact CG2-CB 4.32Å; Y596-R687 PolarHBondContact N-O 2.96Å; D633-R687 IonicContact OD2-CZ 3.91Å; D633-R687 IonicContact OD2-NE 2.74Å; D633-R687 IonicContact OD2-NH1 2.79Å; D633-R687 PolarHBondContact OD2-NH1 2.88Å; D633-R687 IonicContact OD2-NH2 3.25Å; D633-R687 PolarHBondContact OD2-NH2 3.02Å; S635-R687 PolarHBondContact OG-NH1 3.07Å; S635-R687 PolarHBondContact OG-NH2 3.26Å; L671-R687 HydrophobicContact CD2-CB 4.22Å |
| 688 | V | 86.2 | Confident | 68.4 | Low | 0 Ų | 0 | 61.2 Ų | 61.2 | 0% | 0 | 34% | 0.338 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.9 | 121.5 | 177.8 | -173.7 | 0 | 0 | 0 | 0 | 109.3 | Y596 L611 V613 I655 M669 F670 A672 I690 | Y596-V688 CarbonylContact O-C 3.59Å; Y596-V688 WeakPolarHBondContact O-CA 3.49Å; L611-V688 HydrophobicContact CD1-CG1 4.27Å; L611-V688 HydrophobicContact CD2-CG1 3.92Å; V613-V688 HydrophobicContact CG1-CG2 4.47Å; I655-V688 HydrophobicContact CD1-CG1 4.1Å; I655-V688 HydrophobicContact CD1-CG2 4.03Å; M669-V688 WeakPolarHBondContact CA-O 3.25Å; F670-V688 HydrophobicContact CD2-CB 4.11Å; F670-V688 HydrophobicContact CE1-CG1 4.36Å; F670-V688 HydrophobicContact CE2-CB 3.79Å; F670-V688 HydrophobicContact CE2-CG1 3.84Å; F670-V688 HydrophobicContact CE2-CG2 4.25Å; F670-V688 HydrophobicContact CZ-CB 4.07Å; F670-V688 HydrophobicContact CZ-CG1 3.7Å; F670-V688 PolarHBondContact N-O 2.94Å; F670-V688 PolarHBondContact O-N 2.9Å; A672-V688 HydrophobicContact CB-CG2 3.87Å; V688-I690 HydrophobicContact CG1-CD1 4.15Å; V688-I690 HydrophobicContact CG1-CG1 4.18Å |
| 689 | T | 84.9 | Confident | 68 | Low | 7 Ų | 7 | 65.1 Ų | 65.1 | 4% | 0.043 | 35% | 0.35 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.5 | 128.4 | 179.7 | -57.7 | 0 | 0 | 0 | 0 | 109.9 | Y596 E597 G598 R667 M668 M669 | Y596-T689 PolarHBondContact O-N 2.88Å; E597-T689 CarbonylContact C-O 3.51Å; E597-T689 WeakPolarHBondContact CA-O 3.42Å; G598-T689 PolarHBondContact N-O 2.83Å; R667-T689 HydrophobicContact CG-CG2 3.93Å; M668-T689 CarbonylContact O-C 3.22Å; M668-T689 WeakPolarHBondContact O-CA 3.25Å; M669-T689 HydrophobicContact CG-CG2 3.92Å; M669-T689 HydrophobicContact SD-CG2 4.48Å |
| 690 | I | 83 | Confident | 68.6 | Low | 0 Ų | 0 | 57.9 Ų | 57.9 | 0% | 0 | 31% | 0.312 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.2 | 108.7 | -175.3 | -64.6 | 176.4 | 0 | 0 | 0 | 110 | G598 I600 V610 L611 F646 R667 M668 F670 V688 | G598-I690 WeakPolarHBondContact O-CA 3.27Å; I600-I690 HydrophobicContact CB-CG2 4.01Å; I600-I690 HydrophobicContact CG2-CG2 3.4Å; I600-I690 VanDerWaalsContact CG2-CG2 3.4Å; V610-I690 HydrophobicContact CB-CD1 4.48Å; V610-I690 HydrophobicContact CG1-CD1 3.94Å; V610-I690 HydrophobicContact CG1-CG2 4.11Å; L611-I690 HydrophobicContact CD2-CD1 4.17Å; L611-I690 HydrophobicContact CD2-CG1 4.06Å; F646-I690 HydrophobicContact CD1-CD1 4.01Å; F646-I690 HydrophobicContact CE1-CD1 3.63Å; F646-I690 HydrophobicContact CE1-CG2 4.25Å; F646-I690 HydrophobicContact CE2-CD1 4.25Å; F646-I690 HydrophobicContact CG-CD1 4.48Å; F646-I690 HydrophobicContact CZ-CB 4.22Å; F646-I690 HydrophobicContact CZ-CD1 3.77Å; F646-I690 HydrophobicContact CZ-CG2 3.9Å; R667-I690 CarbonylContact C-O 3.52Å; M668-I690 HydrophobicContact CB-CB 4.25Å; M668-I690 PolarHBondContact N-O 2.84Å; M668-I690 PolarHBondContact O-N 2.98Å; F670-I690 HydrophobicContact CE1-CD1 3.82Å; F670-I690 HydrophobicContact CE1-CG1 4.46Å; F670-I690 HydrophobicContact CZ-CD1 3.68Å; V688-I690 HydrophobicContact CG1-CD1 4.15Å; V688-I690 HydrophobicContact CG1-CG1 4.18Å |
| 691 | D | 73.3 | Confident | 68.8 | Low | 56 Ų | 56 | 56.5 Ų | 56.5 | 30% | 0.299 | 30% | 0.301 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -78.7 | 135.6 | 178.5 | -86.3 | -25.7 | 0 | 0 | 0 | 112.5 | G598 S599 I600 R667 | G598-D691 PolarHBondContact O-N 3.21Å; S599-D691 CarbonylContact C-O 3.59Å; S599-D691 WeakPolarHBondContact CA-O 2.94Å; I600-D691 PolarHBondContact N-O 3.42Å; R667-D691 VanDerWaalsContact CB-OD1 3.32Å; R667-D691 WeakPolarHBondContact CB-OD1 3.36Å; R667-D691 WeakPolarHBondContact CG-OD1 3.32Å; R667-D691 IonicContact CZ-OD1 3.74Å; R667-D691 IonicContact CZ-OD2 2.76Å; R667-D691 IonicContact NE-OD1 2.9Å; R667-D691 PolarHBondContact NE-OD1 3.18Å; R667-D691 IonicContact NE-OD2 3.84Å; R667-D691 IonicContact NH2-OD1 2.81Å; R667-D691 PolarHBondContact NH2-OD1 3.02Å; R667-D691 IonicContact NH2-OD2 3.55Å; R667-D691 PolarHBondContact NH2-OD2 2.83Å |
| 692 | I | 71.6 | Confident | 69 | Low | 6 Ų | 6 | 56 Ų | 56 | 3% | 0.031 | 29% | 0.294 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.6 | 101.9 | -176.7 | -57.9 | 167.3 | 0 | 0 | 0 | 109.4 | I600 R602 L661 K665 N666 M668 | I600-I692 HydrophobicContact CG2-CG1 4.24Å; I600-I692 WeakPolarHBondContact O-CA 3.25Å; R602-I692 HydrophobicContact CB-CG2 3.69Å; R602-I692 HydrophobicContact CG-CG2 4.06Å; L661-I692 HydrophobicContact CB-CD1 4.41Å; L661-I692 HydrophobicContact CD1-CG1 4.42Å; L661-I692 HydrophobicContact CD1-CG2 4.3Å; L661-I692 HydrophobicContact CD2-CD1 4.03Å; L661-I692 HydrophobicContact CD2-CG1 4.19Å; K665-I692 HydrophobicContact CB-CD1 3.98Å; K665-I692 WeakPolarHBondContact O-CD1 3.47Å; N666-I692 PolarHBondContact O-N 2.78Å; M668-I692 HydrophobicContact CE-CD1 3.98Å; M668-I692 HydrophobicContact CG-CD1 3.67Å; M668-I692 HydrophobicContact CG-CG1 4.24Å |
| 693 | A | 53.4 | Low | 68.6 | Low | 21 Ų | 21 | 53.7 Ų | 53.7 | 17% | 0.174 | 29% | 0.288 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -78.8 | 138.7 | -179.6 | 0 | 0 | 0 | 0 | 0 | 112.5 | I600 R602 | I600-A693 PolarHBondContact O-N 2.79Å; R602-A693 PolarHBondContact N-O 3.42Å; R602-A693 VanDerWaalsContact N-O 3.11Å |
| 694 | E | 46.6 | Very low | 67.9 | Low | 137 Ų | 137 | 56.7 Ų | 56.7 | 64% | 0.64 | 30% | 0.303 | S | S | * | . | S | Bend | trans | -89.8 | -17.6 | -166 | -130.1 | -179.9 | -158.6 | 0 | 0 | 116 | R602 | R602-E694 IonicContact CZ-OE1 2.66Å; R602-E694 IonicContact NH1-OE1 4Å; R602-E694 PolarHBondContact NH1-OE1 2.94Å; R602-E694 IonicContact NH2-OE1 2.77Å |
| 695 | A | 33.2 | Very low | 67.1 | Low | 84 Ų | 84 | 55.9 Ų | 55.9 | 69% | 0.694 | 30% | 0.298 | S | S | * | . | S | Bend | trans | -150.9 | 86.8 | 178.8 | 0 | 0 | 0 | 0 | 0 | 113.2 | Q697 | A695-Q697 VanDerWaalsContact C-N 3.33Å; A695-Q697 PolarHBondContact O-N 3.17Å |
| 696 | A | 30.9 | Very low | 66.2 | Low | 50 Ų | 50 | 57 Ų | 57 | 41% | 0.413 | 32% | 0.315 | S | S | . | . | trans | 42.2 | 47.8 | 157.1 | 0 | 0 | 0 | 0 | 0 | 116.7 | H698 | A696-H698 PolarHBondContact O-CE1 3.13Å; A696-H698 PolarHBondContact O-ND1 3.09Å | ||
| 697 | Q | 39.5 | Very low | 65.4 | Low | 108 Ų | 108 | 58.6 Ų | 58.6 | 51% | 0.505 | 33% | 0.326 | S | S | . | . | trans | -69.2 | 127.4 | 158 | -70.7 | 167.6 | -49.7 | 0 | 0 | 107.7 | A695 L799 | A695-Q697 VanDerWaalsContact C-N 3.33Å; A695-Q697 PolarHBondContact O-N 3.17Å; Q697-L799 HydrophobicContact CB-CD1 4.15Å | ||
| 698 | H | 47.2 | Very low | 65.2 | Low | 99 Ų | 99 | 55 Ų | 55 | 46% | 0.458 | 31% | 0.313 | S | S | . | . | trans | -119.8 | 126.7 | -177.5 | -58.2 | 86.7 | 0 | 0 | 0 | 109.3 | A696 G732 | A696-H698 PolarHBondContact O-CE1 3.13Å; A696-H698 PolarHBondContact O-ND1 3.09Å; H698-G732 PolarHBondContact ND1-O 2.8Å; H698-G732 VanDerWaalsContact ND1-O 3.12Å | ||
| 699 | Y | 66 | Low | 64.8 | Low | 91 Ų | 91 | 57 Ų | 57 | 36% | 0.357 | 33% | 0.326 | S | S | . | . | trans | -50.6 | 152.7 | 169.9 | -64.4 | -92.8 | 0 | 0 | 0 | 112.5 | S599 L799 S800 | S599-Y699 PolarHBondContact O-OH 2.73Å; S599-Y699 PolarHBondContact OG-OH 3.46Å; Y699-L799 HydrophobicContact CD1-CB 3.79Å; Y699-L799 HydrophobicContact CD1-CD1 4.5Å; Y699-L799 HydrophobicContact CD1-CD2 4.35Å; Y699-L799 HydrophobicContact CD1-CG 4.44Å; Y699-L799 HydrophobicContact CE1-CB 4.16Å; Y699-L799 HydrophobicContact CE1-CD2 3.88Å; Y699-L799 HydrophobicContact CE1-CG 4.45Å; Y699-L799 HydrophobicContact CG-CB 4.39Å; Y699-S800 WeakPolarHBondContact CD1-O 3.23Å | ||
| 700 | P | 72.8 | Confident | 64.4 | Low | 0 Ų | 0 | 62 Ų | 62 | 0% | 0 | 35% | 0.352 | C | S | . | . | trans | -50.5 | 140.2 | 171.7 | -29.7 | 38 | 0 | 0 | 0 | 113.1 | A729 L730 I739 A792 D794 L799 R801 | P700-A729 HydrophobicContact CB-CB 4.12Å; P700-L730 CarbonylContact C-O 3.52Å; P700-L730 WeakPolarHBondContact CA-O 3.34Å; P700-I739 HydrophobicContact CB-CD1 4.29Å; P700-I739 HydrophobicContact CG-CD1 4.05Å; P700-A792 HydrophobicContact CB-CB 4.15Å; P700-A792 WeakPolarHBondContact CG-O 3.34Å; P700-D794 HydrophobicContact CG-CB 3.96Å; P700-L799 WeakPolarHBondContact CD-O 3.22Å; P700-L799 VanDerWaalsContact CG-O 3.31Å; P700-L799 WeakPolarHBondContact CG-O 3.13Å; P700-R801 WeakPolarHBondContact O-CD 3.47Å | ||
| 701 | V | 71.7 | Confident | 64.2 | Low | 65 Ų | 65 | 66.3 Ų | 66.3 | 39% | 0.394 | 37% | 0.373 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.1 | 102.5 | -179.5 | -176.7 | 0 | 0 | 0 | 0 | 108.9 | Q703 A729 L730 | V701-Q703 PolarHBondContact O-N 2.92Å; V701-Q703 PolarHBondContact O-NE2 3.08Å; V701-A729 CarbonylContact O-C 3.46Å; V701-A729 VanDerWaalsContact O-CA 3.25Å; V701-A729 WeakPolarHBondContact O-CA 3.45Å; V701-L730 PolarHBondContact N-O 3.21Å; V701-L730 PolarHBondContact O-N 3.48Å |
| 702 | W | 80.3 | Confident | 64.6 | Low | 30 Ų | 30 | 64.7 Ų | 64.7 | 11% | 0.114 | 36% | 0.364 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -50.1 | 126.1 | 170.6 | -70.2 | 106.9 | 0 | 0 | 0 | 111.1 | C727 A729 Y741 V770 I790 A792 R801 K803 | W702-C727 HydrophobicContact CE3-CB 4.08Å; W702-C727 HydrophobicContact CZ3-CB 3.68Å; W702-A729 HydrophobicContact CD2-CB 4.18Å; W702-A729 HydrophobicContact CE3-CB 4.12Å; W702-A729 HydrophobicContact CG-CB 4.43Å; W702-Y741 HydrophobicContact CE3-CE1 4.44Å; W702-Y741 AromaticContact CH2-CD1 3.56Å; W702-Y741 HydrophobicContact CH2-CD1 3.56Å; W702-Y741 AromaticContact CH2-CE1 3.91Å; W702-Y741 HydrophobicContact CH2-CE1 3.91Å; W702-Y741 HydrophobicContact CZ2-CD1 4.4Å; W702-Y741 AromaticContact CZ3-CD1 3.82Å; W702-Y741 HydrophobicContact CZ3-CD1 3.82Å; W702-Y741 AromaticContact CZ3-CE1 3.7Å; W702-Y741 HydrophobicContact CZ3-CE1 3.7Å; W702-V770 HydrophobicContact CH2-CG1 4.14Å; W702-V770 HydrophobicContact CZ3-CG1 3.96Å; W702-I790 HydrophobicContact CH2-CB 4.17Å; W702-I790 HydrophobicContact CH2-CG2 3.8Å; W702-I790 HydrophobicContact CZ2-CB 4.32Å; W702-I790 HydrophobicContact CZ2-CG2 4.25Å; W702-I790 WeakPolarHBondContact CZ2-O 3.25Å; W702-A792 HydrophobicContact CD2-CB 4.29Å; W702-A792 HydrophobicContact CH2-CB 3.83Å; W702-A792 HydrophobicContact CZ2-CB 3.42Å; W702-A792 VanDerWaalsContact CZ2-CB 3.42Å; W702-A792 HydrophobicContact CZ3-CB 4.38Å; W702-R801 PolarHBondContact NE1-O 3.11Å; W702-K803 HydrophobicContact CD2-CB 4.1Å; W702-K803 HydrophobicContact CD2-CD 4.43Å; W702-K803 HydrophobicContact CG-CB 4.24Å; W702-K803 HydrophobicContact CZ2-CB 4.07Å |
| 703 | Q | 74.7 | Confident | 65.1 | Low | 56 Ų | 56 | 68.2 Ų | 68.2 | 26% | 0.262 | 39% | 0.386 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.6 | 112.8 | 178.7 | -59.8 | -59.2 | -74.1 | 0 | 0 | 108.6 | V701 T705 H728 L730 | V701-Q703 PolarHBondContact O-N 2.92Å; V701-Q703 PolarHBondContact O-NE2 3.08Å; Q703-T705 VanDerWaalsContact C-N 3.31Å; Q703-T705 PolarHBondContact O-N 2.87Å; Q703-H728 WeakPolarHBondContact CB-O 3.46Å; Q703-H728 PolarHBondContact N-O 3.2Å; Q703-L730 HydrophobicContact CG-CD1 4.18Å; Q703-L730 HydrophobicContact CG-CG 3.88Å |
| 704 | V | 66.1 | Low | 66.5 | Low | 133 Ų | 133 | 67.6 Ų | 67.6 | 81% | 0.806 | 38% | 0.38 | S | S | * | . | trans | -74.7 | 85.8 | 177.7 | -175.4 | 0 | 0 | 0 | 0 | 109.2 | ||||
| 705 | T | 69.3 | Low | 68 | Low | 34 Ų | 34 | 63.3 Ų | 63.3 | 21% | 0.209 | 36% | 0.362 | C | S | . | . | trans | -92.4 | 157.3 | 169.1 | 55.4 | 0 | 0 | 0 | 0 | 110.5 | Q703 S707 C708 W769 | Q703-T705 VanDerWaalsContact C-N 3.31Å; Q703-T705 PolarHBondContact O-N 2.87Å; T705-S707 PolarHBondContact O-N 3.02Å; T705-S707 PolarHBondContact OG1-OG 3.31Å; T705-C708 CarbonylContact O-C 3.42Å; T705-C708 PolarHBondContact O-N 3.34Å; T705-C708 WeakPolarHBondContact OG1-CB 3.02Å; T705-C708 PolarHBondContact OG1-N 3.21Å; T705-W769 HydrophobicContact CG2-CH2 4.44Å | ||
| 706 | P | 66.8 | Low | 70.2 | Confident | 137 Ų | 137 | 60 Ų | 60 | 89% | 0.89 | 33% | 0.332 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -59 | -26.4 | 173.4 | -24.7 | 35.2 | 0 | 0 | 0 | 113.6 | C708 | P706-C708 VanDerWaalsContact C-N 3.3Š|
| 707 | S | 70.9 | Confident | 72.3 | Confident | 39 Ų | 39 | 62.7 Ų | 62.7 | 27% | 0.273 | 34% | 0.339 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -78.5 | -9.2 | 174.5 | 57.9 | 0 | 0 | 0 | 0 | 114.5 | T705 P709 F725 E726 | T705-S707 PolarHBondContact O-N 3.02Å; T705-S707 PolarHBondContact OG1-OG 3.31Å; S707-P709 WeakPolarHBondContact O-CD 3.35Å; S707-F725 WeakPolarHBondContact O-CB 3.37Å; S707-E726 CarbonylContact C-O 3.59Å; S707-E726 CarbonylContact O-C 3.52Å; S707-E726 PolarHBondContact O-N 2.85Å; S707-E726 PolarHBondContact OG-O 2.9Å |
| 708 | C | 81.1 | Confident | 74.2 | Confident | 2 Ų | 2 | 58.5 Ų | 58.5 | 1% | 0.014 | 32% | 0.321 | C | S | . | . | S | Bend | trans | -116.6 | 57.2 | -179.9 | -176.2 | 0 | 0 | 0 | 0 | 111.3 | T705 P706 E726 C727 K803 | T705-C708 CarbonylContact O-C 3.42Å; T705-C708 PolarHBondContact O-N 3.34Å; T705-C708 WeakPolarHBondContact OG1-CB 3.02Å; T705-C708 PolarHBondContact OG1-N 3.21Å; P706-C708 VanDerWaalsContact C-N 3.3Å; C708-E726 WeakPolarHBondContact CB-O 3.48Å; C708-E726 PolarHBondContact N-O 2.82Å; C708-C727 WeakPolarHBondContact CA-SG 3.24Å; C708-C727 HydrophobicContact CB-CB 3.92Å; C708-C727 WeakPolarHBondContact CB-SG 3.46Å; C708-C727 VanDerWaalsContact SG-CA 3.51Å; C708-C727 WeakPolarHBondContact SG-CB 3.4Å; C708-C727 CovalentContact SG-SG 2.03Å; C708-C727 PolarHBondContact SG-SG 2.89Å; C708-K803 PolarHBondContact O-NZ 3.14Å; C708-K803 PolarHBondContact SG-NZ 3.39Å |
| 709 | P | 78 | Confident | 75.2 | Confident | 41 Ų | 41 | 61.5 Ų | 61.5 | 27% | 0.266 | 34% | 0.335 | S | S | . | . | trans | -66.1 | 170.7 | -178.2 | 33.1 | -39.3 | 0 | 0 | 0 | 112.4 | S707 E711 V712 F725 K803 V805 | S707-P709 WeakPolarHBondContact O-CD 3.35Å; P709-E711 WeakPolarHBondContact CB-O 3.1Å; P709-V712 HydrophobicContact CG-CG2 3.58Å; P709-F725 HydrophobicContact CG-CB 4.21Å; P709-K803 PolarHBondContact O-NZ 2.92Å; P709-V805 WeakPolarHBondContact O-CG2 3.43Å | ||
| 710 | N | 77.2 | Confident | 75.5 | Confident | 112 Ų | 112 | 62 Ų | 62 | 60% | 0.599 | 34% | 0.343 | S | S | * | . | S | Bend | trans | -95.4 | -12.1 | 171 | -64.7 | -7.7 | 0 | 0 | 0 | 112.5 | K803 V805 R806 | N710-K803 WeakPolarHBondContact OD1-CE 3.3Å; N710-V805 WeakPolarHBondContact O-CA 2.88Å; N710-R806 PolarHBondContact O-N 2.69Å |
| 711 | E | 77.3 | Confident | 75.5 | Confident | 92 Ų | 92 | 66.2 Ų | 66.2 | 43% | 0.43 | 37% | 0.366 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -146.4 | 139.5 | -179.9 | -174.9 | 175.3 | -178.2 | 0 | 0 | 109.4 | P709 R806 R808 | P709-E711 WeakPolarHBondContact CB-O 3.1Å; E711-R806 CarbonylContact C-O 3.58Å; E711-R806 WeakPolarHBondContact CA-O 3.34Å; E711-R806 HydrophobicContact CG-CB 4.39Å; E711-R808 WeakPolarHBondContact OE1-CD 3.03Å; E711-R808 IonicContact OE1-CZ 2.75Å; E711-R808 IonicContact OE1-NE 2.67Å; E711-R808 IonicContact OE1-NH1 3.26Å; E711-R808 PolarHBondContact OE1-NH1 2.62Å |
| 712 | V | 82.6 | Confident | 75.8 | Confident | 21 Ų | 21 | 68.5 Ų | 68.5 | 13% | 0.127 | 37% | 0.368 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.2 | 139.4 | 176.9 | 179.2 | 0 | 0 | 0 | 0 | 108.5 | P709 V714 F724 F725 V805 R806 V807 R808 | P709-V712 HydrophobicContact CG-CG2 3.58Å; V712-V714 HydrophobicContact CG1-CG1 4.14Å; V712-F724 HydrophobicContact CG1-CD1 4.13Å; V712-F725 HydrophobicContact CG2-CB 4.47Å; V712-F725 HydrophobicContact CG2-CD1 3.93Å; V712-V805 HydrophobicContact CG2-CG1 4.43Å; V712-R806 PolarHBondContact N-O 3.19Å; V712-V807 CarbonylContact O-C 3.3Å; V712-V807 WeakPolarHBondContact O-CA 3.4Å; V712-R808 PolarHBondContact O-N 3.08Å |
| 713 | V | 81.3 | Confident | 75.7 | Confident | 80 Ų | 80 | 70 Ų | 70 | 49% | 0.485 | 38% | 0.38 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -122 | 124 | 174.2 | -172.3 | 0 | 0 | 0 | 0 | 108.3 | R808 | V713-R808 WeakPolarHBondContact CA-O 3.49Å; V713-R808 HydrophobicContact CG1-CB 4.44Å; V713-R808 HydrophobicContact CG2-CB 4.32Å |
| 714 | V | 82.7 | Confident | 76 | Confident | 9 Ų | 9 | 68 Ų | 68 | 6% | 0.055 | 37% | 0.371 | C | S | . | . | trans | -120.7 | 173 | 174.8 | -64 | 0 | 0 | 0 | 0 | 110.3 | V712 V718 Y722 F724 V807 R808 L809 R810 | V712-V714 HydrophobicContact CG1-CG1 4.14Å; V714-V718 HydrophobicContact CG2-CG1 4.3Å; V714-Y722 HydrophobicContact CG1-CE1 4.17Å; V714-F724 HydrophobicContact CB-CE1 4.14Å; V714-F724 HydrophobicContact CG1-CD1 3.93Å; V714-F724 HydrophobicContact CG1-CE1 3.47Å; V714-F724 VanDerWaalsContact CG1-CE1 3.47Å; V714-F724 HydrophobicContact CG1-CZ 4.11Å; V714-F724 HydrophobicContact CG2-CE1 3.59Å; V714-F724 HydrophobicContact CG2-CZ 4.1Å; V714-V807 HydrophobicContact CG2-CG1 4.4Å; V714-R808 PolarHBondContact N-O 2.89Å; V714-L809 HydrophobicContact CG2-CD2 3.74Å; V714-L809 CarbonylContact O-C 3.28Å; V714-R810 VanDerWaalsContact O-CB 3.3Å; V714-R810 WeakPolarHBondContact O-CB 3.5Å; V714-R810 PolarHBondContact O-N 2.91Å; V714-R810 VanDerWaalsContact O-N 3.11Å | ||
| 715 | D | 79.5 | Confident | 76.7 | Confident | 46 Ų | 46 | 62 Ų | 62 | 25% | 0.246 | 33% | 0.334 | C | S | . | . | trans | -88.8 | 159 | 162 | -56.3 | 34.3 | 0 | 0 | 0 | 107.4 | D717 V718 R810 K812 | D715-D717 WeakPolarHBondContact CB-OD1 3.33Å; D715-V718 WeakPolarHBondContact O-CB 3.48Å; D715-V718 WeakPolarHBondContact O-CG1 3.49Å; D715-R810 VanDerWaalsContact CG-NH1 3.26Å; D715-R810 IonicContact OD1-CZ 3.75Å; D715-R810 IonicContact OD1-NE 3.49Å; D715-R810 IonicContact OD1-NH1 3.27Å; D715-R810 PolarHBondContact OD1-NH1 2.86Å; D715-R810 IonicContact OD1-NH2 2.82Å; D715-R810 PolarHBondContact OD1-NH2 2.75Å; D715-R810 IonicContact OD2-NH1 2.79Å; D715-R810 PolarHBondContact OD2-NH1 3.37Å; D715-K812 WeakPolarHBondContact OD2-CE 3.4Å; D715-K812 IonicContact OD2-NZ 3.81Å; D715-K812 PolarHBondContact OD2-NZ 3.06Å | ||
| 716 | E | 79.1 | Confident | 77.4 | Confident | 14 Ų | 14 | 62.4 Ų | 62.4 | 7% | 0.065 | 33% | 0.334 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -76.6 | -32.9 | -176.7 | 68.5 | -155.5 | 105.3 | 0 | 0 | 114.2 | V718 Y780 D811 K812 | E716-V718 PolarHBondContact O-N 2.79Å; E716-Y780 WeakPolarHBondContact OE2-CB 3.17Å; E716-Y780 PolarHBondContact OE2-N 2.89Å; E716-D811 VanDerWaalsContact OE1-C 3.24Å; E716-D811 WeakPolarHBondContact OE1-CA 3.44Å; E716-D811 PolarHBondContact OE1-N 3.14Å; E716-D811 VanDerWaalsContact OE1-N 3.11Å; E716-K812 HydrophobicContact CG-CG 4.3Å; E716-K812 PolarHBondContact OE1-N 2.85Å |
| 717 | D | 74.3 | Confident | 78.2 | Confident | 107 Ų | 107 | 55.9 Ų | 55.9 | 57% | 0.572 | 29% | 0.291 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -67.9 | 22.4 | 172.3 | 65.5 | -25 | 0 | 0 | 0 | 113.8 | D715 K812 | D715-D717 WeakPolarHBondContact CB-OD1 3.33Å; D717-K812 IonicContact OD1-NZ 3.44Å; D717-K812 PolarHBondContact OD1-NZ 2.83Å; D717-K812 IonicContact OD2-NZ 2.66Å; D717-K812 PolarHBondContact OD2-NZ 2.72Å |
| 718 | V | 78.5 | Confident | 78.7 | Confident | 20 Ų | 20 | 54.4 Ų | 54.4 | 12% | 0.121 | 28% | 0.28 | C | S | . | . | P | Polyproline II helix | trans | -73.4 | 129.4 | 177 | 65.8 | 0 | 0 | 0 | 0 | 110.9 | V714 D715 E716 Y722 F724 L778 | V714-V718 HydrophobicContact CG2-CG1 4.3Å; D715-V718 WeakPolarHBondContact O-CB 3.48Å; D715-V718 WeakPolarHBondContact O-CG1 3.49Å; E716-V718 PolarHBondContact O-N 2.79Å; V718-Y722 HydrophobicContact CG2-CD1 3.58Å; V718-Y722 HydrophobicContact CG2-CD2 3.65Å; V718-Y722 HydrophobicContact CG2-CE1 4.11Å; V718-Y722 HydrophobicContact CG2-CE2 4.16Å; V718-Y722 HydrophobicContact CG2-CG 3.32Å; V718-F724 HydrophobicContact CG1-CZ 4.02Å; V718-L778 HydrophobicContact CG1-CD1 3.82Å; V718-L778 HydrophobicContact CG1-CG 4.46Å |
| 719 | Q | 70 | Confident | 78.7 | Confident | 162 Ų | 162 | 54.5 Ų | 54.5 | 76% | 0.757 | 28% | 0.281 | S | S | * | . | P | Polyproline II helix | trans | -56.4 | 148.8 | -176.9 | -63.3 | -178.6 | -49.7 | 0 | 0 | 112.5 | Y722 N774 | Q719-Y722 WeakPolarHBondContact O-CB 3.42Å; Q719-Y722 PolarHBondContact O-N 2.91Å; Q719-N774 PolarHBondContact O-ND2 2.85Å; Q719-N774 PolarHBondContact O-OD1 2.95Å; Q719-N774 VanDerWaalsContact O-OD1 3.13Å |
| 720 | I | 72.1 | Confident | 78.5 | Confident | 101 Ų | 101 | 54.1 Ų | 54.1 | 52% | 0.518 | 28% | 0.276 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -63 | 147.9 | 172.7 | -62.9 | 175.6 | 0 | 0 | 0 | 109.6 | Y722 L775 | I720-Y722 PolarHBondContact O-N 2.69Å; I720-L775 WeakPolarHBondContact CG2-O 3.27Å |
| 721 | N | 72.6 | Confident | 78 | Confident | 90 Ų | 90 | 49 Ų | 49 | 48% | 0.481 | 25% | 0.249 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 63.7 | 12.8 | -171.3 | -86.2 | -51.9 | 0 | 0 | 0 | 116 | R773 N774 | N721-R773 WeakPolarHBondContact O-CD 3.34Å; N721-N774 WeakPolarHBondContact CA-O 3.44Å; N721-N774 PolarHBondContact N-O 3Å; N721-N774 PolarHBondContact N-OD1 2.72Å |
| 722 | Y | 77.5 | Confident | 77.3 | Confident | 112 Ų | 112 | 46 Ų | 46 | 44% | 0.439 | 24% | 0.243 | S | C | . | . | trans | -61 | 136.8 | 172.8 | -179.9 | -91.3 | 0 | 0 | 0 | 111.5 | V714 V718 Q719 I720 F724 R773 N774 | V714-Y722 HydrophobicContact CG1-CE1 4.17Å; V718-Y722 HydrophobicContact CG2-CD1 3.58Å; V718-Y722 HydrophobicContact CG2-CD2 3.65Å; V718-Y722 HydrophobicContact CG2-CE1 4.11Å; V718-Y722 HydrophobicContact CG2-CE2 4.16Å; V718-Y722 HydrophobicContact CG2-CG 3.32Å; Q719-Y722 WeakPolarHBondContact O-CB 3.42Å; Q719-Y722 PolarHBondContact O-N 2.91Å; I720-Y722 PolarHBondContact O-N 2.69Å; Y722-F724 AromaticContact CD1-CD2 3.87Å; Y722-F724 HydrophobicContact CD1-CD2 3.87Å; Y722-F724 AromaticContact CD1-CE2 3.76Å; Y722-F724 HydrophobicContact CD1-CE2 3.76Å; Y722-F724 HydrophobicContact CD1-CG 4.4Å; Y722-F724 HydrophobicContact CD1-CZ 4.24Å; Y722-F724 WeakPolarHBondContact O-CD2 3.16Å; Y722-F724 PolarHBondContact O-N 2.91Å; Y722-R773 VanDerWaalsContact O-CA 3.22Å; Y722-R773 WeakPolarHBondContact O-CA 3.39Å; Y722-N774 PolarHBondContact N-OD1 3.17Å; Y722-N774 PolarHBondContact O-OD1 3.47Å | ||
| 723 | V | 78.7 | Confident | 76 | Confident | 61 Ų | 61 | 47.4 Ų | 47.4 | 37% | 0.37 | 26% | 0.257 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -85 | 108.5 | 179.9 | 174 | 0 | 0 | 0 | 0 | 110.3 | V771 R773 | V723-V771 HydrophobicContact CB-CG1 4.29Å; V723-V771 HydrophobicContact CG1-CG1 3.5Å; V723-V771 VanDerWaalsContact CG1-CG1 3.5Å; V723-V771 HydrophobicContact CG2-CG1 3.84Å; V723-R773 HydrophobicContact CG2-CG 3.94Å |
| 724 | F | 79.9 | Confident | 74.9 | Confident | 14 Ų | 14 | 46.8 Ų | 46.8 | 6% | 0.061 | 25% | 0.251 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -74.5 | -44.6 | 178.9 | -78.9 | -103.7 | 0 | 0 | 0 | 112.1 | V712 V714 V718 Y722 F757 V772 N774 L778 V807 | V712-F724 HydrophobicContact CG1-CD1 4.13Å; V714-F724 HydrophobicContact CB-CE1 4.14Å; V714-F724 HydrophobicContact CG1-CD1 3.93Å; V714-F724 HydrophobicContact CG1-CE1 3.47Å; V714-F724 VanDerWaalsContact CG1-CE1 3.47Å; V714-F724 HydrophobicContact CG1-CZ 4.11Å; V714-F724 HydrophobicContact CG2-CE1 3.59Å; V714-F724 HydrophobicContact CG2-CZ 4.1Å; V718-F724 HydrophobicContact CG1-CZ 4.02Å; Y722-F724 AromaticContact CD1-CD2 3.87Å; Y722-F724 HydrophobicContact CD1-CD2 3.87Å; Y722-F724 AromaticContact CD1-CE2 3.76Å; Y722-F724 HydrophobicContact CD1-CE2 3.76Å; Y722-F724 HydrophobicContact CD1-CG 4.4Å; Y722-F724 HydrophobicContact CD1-CZ 4.24Å; Y722-F724 WeakPolarHBondContact O-CD2 3.16Å; Y722-F724 PolarHBondContact O-N 2.91Å; F724-F757 AromaticContact CD1-CE1 3.91Å; F724-F757 HydrophobicContact CD1-CE1 3.91Å; F724-F757 HydrophobicContact CD2-CD1 4.27Å; F724-F757 HydrophobicContact CD2-CE1 4.02Å; F724-F757 AromaticContact CE1-CE1 3.68Å; F724-F757 HydrophobicContact CE1-CE1 3.68Å; F724-F757 HydrophobicContact CE1-CZ 4.33Å; F724-F757 HydrophobicContact CE2-CD1 4.37Å; F724-F757 AromaticContact CE2-CE1 3.84Å; F724-F757 HydrophobicContact CE2-CE1 3.84Å; F724-F757 HydrophobicContact CG-CD1 4.46Å; F724-F757 HydrophobicContact CG-CE1 4.1Å; F724-F757 AromaticContact CZ-CE1 3.67Å; F724-F757 HydrophobicContact CZ-CE1 3.67Å; F724-F757 HydrophobicContact CZ-CZ 4.41Å; F724-V772 PolarHBondContact N-O 2.92Å; F724-N774 HydrophobicContact CE2-CB 3.72Å; F724-N774 HydrophobicContact CZ-CB 4.34Å; F724-L778 HydrophobicContact CE1-CD1 4.2Å; F724-L778 HydrophobicContact CZ-CD1 3.59Å; F724-V807 HydrophobicContact CD1-CG1 3.79Å; F724-V807 HydrophobicContact CD1-CG2 4.08Å; F724-V807 HydrophobicContact CE1-CG1 3.59Å |
| 725 | F | 82.3 | Confident | 73.9 | Confident | 7 Ų | 7 | 50.6 Ų | 50.6 | 3% | 0.031 | 28% | 0.276 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -164 | 161.4 | 176.7 | 53.9 | -88 | 0 | 0 | 0 | 112 | S707 P709 V712 V772 L788 I790 V805 | S707-F725 WeakPolarHBondContact O-CB 3.37Å; P709-F725 HydrophobicContact CG-CB 4.21Å; V712-F725 HydrophobicContact CG2-CB 4.47Å; V712-F725 HydrophobicContact CG2-CD1 3.93Å; F725-V772 HydrophobicContact CD1-CB 4.33Å; F725-V772 HydrophobicContact CD2-CB 4.35Å; F725-V772 HydrophobicContact CD2-CG2 4.19Å; F725-V772 HydrophobicContact CE1-CB 3.98Å; F725-V772 HydrophobicContact CE1-CG1 4.03Å; F725-V772 HydrophobicContact CE1-CG2 4.25Å; F725-V772 HydrophobicContact CE2-CB 4.01Å; F725-V772 HydrophobicContact CE2-CG2 3.53Å; F725-V772 HydrophobicContact CZ-CB 3.81Å; F725-V772 HydrophobicContact CZ-CG1 4.08Å; F725-V772 HydrophobicContact CZ-CG2 3.56Å; F725-V772 PolarHBondContact O-N 2.7Å; F725-L788 HydrophobicContact CE1-CD1 4.3Å; F725-L788 HydrophobicContact CZ-CD1 4.46Å; F725-I790 HydrophobicContact CE2-CD1 3.61Å; F725-I790 HydrophobicContact CZ-CD1 3.94Å; F725-V805 HydrophobicContact CD1-CG1 3.89Å; F725-V805 HydrophobicContact CD2-CG2 4.47Å; F725-V805 HydrophobicContact CE1-CB 3.91Å; F725-V805 HydrophobicContact CE1-CG1 3.5Å; F725-V805 HydrophobicContact CE1-CG2 4.46Å; F725-V805 HydrophobicContact CE2-CB 4.12Å; F725-V805 HydrophobicContact CE2-CG1 4.25Å; F725-V805 HydrophobicContact CE2-CG2 3.8Å; F725-V805 HydrophobicContact CG-CG1 4.44Å; F725-V805 HydrophobicContact CZ-CB 3.58Å; F725-V805 HydrophobicContact CZ-CG1 3.7Å; F725-V805 HydrophobicContact CZ-CG2 3.81Å |
| 726 | E | 82.4 | Confident | 73 | Confident | 44 Ų | 44 | 53.3 Ų | 53.3 | 21% | 0.206 | 30% | 0.295 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.9 | 122.5 | 172.9 | 57.9 | 171.7 | -135.9 | 0 | 0 | 111.3 | S707 C708 R764 W769 V770 V771 | S707-E726 CarbonylContact C-O 3.59Å; S707-E726 CarbonylContact O-C 3.52Å; S707-E726 PolarHBondContact O-N 2.85Å; S707-E726 PolarHBondContact OG-O 2.9Å; C708-E726 WeakPolarHBondContact CB-O 3.48Å; C708-E726 PolarHBondContact N-O 2.82Å; E726-R764 VanDerWaalsContact CD-NH1 3.35Å; E726-R764 IonicContact OE1-NH1 3.55Å; E726-R764 PolarHBondContact OE1-NH1 2.81Å; E726-R764 IonicContact OE2-CZ 3.55Å; E726-R764 VanDerWaalsContact OE2-CZ 3.31Å; E726-R764 IonicContact OE2-NH1 2.71Å; E726-R764 PolarHBondContact OE2-NH1 2.68Å; E726-R764 IonicContact OE2-NH2 2.59Å; E726-R764 PolarHBondContact OE2-NH2 3.16Å; E726-R764 VanDerWaalsContact OE2-NH2 3.17Å; E726-W769 HydrophobicContact CB-CE3 4.43Å; E726-W769 HydrophobicContact CG-CE3 4.49Å; E726-W769 HydrophobicContact CG-CZ3 4.4Å; E726-V770 CarbonylContact C-O 3.19Å; E726-V770 WeakPolarHBondContact CA-O 3.24Å; E726-V771 HydrophobicContact CB-CG1 4.46Å; E726-V771 HydrophobicContact CB-CG2 3.95Å |
| 727 | C | 83.5 | Confident | 72.6 | Confident | 0 Ų | 0 | 53.5 Ų | 53.5 | 0% | 0 | 30% | 0.296 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.7 | 158.8 | -178 | -78.2 | 0 | 0 | 0 | 0 | 111.6 | W702 C708 W769 V770 | W702-C727 HydrophobicContact CE3-CB 4.08Å; W702-C727 HydrophobicContact CZ3-CB 3.68Å; C708-C727 WeakPolarHBondContact CA-SG 3.24Å; C708-C727 HydrophobicContact CB-CB 3.92Å; C708-C727 WeakPolarHBondContact CB-SG 3.46Å; C708-C727 VanDerWaalsContact SG-CA 3.51Å; C708-C727 WeakPolarHBondContact SG-CB 3.4Å; C708-C727 CovalentContact SG-SG 2.03Å; C708-C727 PolarHBondContact SG-SG 2.89Å; C727-W769 CarbonylContact O-C 3.57Å; C727-W769 WeakPolarHBondContact O-CA 3.32Å; C727-V770 HydrophobicContact CB-CG1 3.83Å; C727-V770 PolarHBondContact N-O 2.92Å; C727-V770 PolarHBondContact O-N 2.79Å |
| 728 | H | 82.3 | Confident | 72.7 | Confident | 8 Ų | 8 | 50.4 Ų | 50.4 | 4% | 0.037 | 28% | 0.282 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -144.7 | 161.6 | 159.9 | 69 | -77.5 | 0 | 0 | 0 | 110.9 | Q703 Y741 R767 D768 W769 | Q703-H728 WeakPolarHBondContact CB-O 3.46Å; Q703-H728 PolarHBondContact N-O 3.2Å; H728-Y741 WeakPolarHBondContact CA-OH 3.39Å; H728-R767 PolarHBondContact NE2-NH1 2.75Å; H728-D768 WeakPolarHBondContact CB-O 3.02Å; H728-W769 HydrophobicContact CB-CB 4.35Å; H728-W769 HydrophobicContact CB-CD2 3.76Å; H728-W769 HydrophobicContact CB-CE3 3.97Å; H728-W769 HydrophobicContact CB-CG 3.92Å; H728-W769 AromaticContact CE1-CE2 3.95Å; H728-W769 AromaticContact CE1-CH2 3.43Å; H728-W769 VanDerWaalsContact CE1-CH2 3.43Å; H728-W769 WeakPolarHBondContact CE1-CH2 3.17Å; H728-W769 AromaticContact CE1-CZ2 3.42Å; H728-W769 VanDerWaalsContact CE1-CZ2 3.42Å; H728-W769 WeakPolarHBondContact CE1-CZ2 3.24Å; H728-W769 AromaticContact CE1-CZ3 3.96Å; H728-W769 AromaticContact CG-CD2 3.9Å; H728-W769 AromaticContact CG-CE2 3.92Å; H728-W769 AromaticContact ND1-CD2 3.64Å; H728-W769 AromaticContact ND1-CE2 3.54Å; H728-W769 AromaticContact ND1-CE3 3.47Å; H728-W769 AromaticContact ND1-CH2 3.22Å; H728-W769 WeakPolarHBondContact ND1-CH2 3.29Å; H728-W769 AromaticContact ND1-CZ2 3.35Å; H728-W769 WeakPolarHBondContact ND1-CZ2 3.47Å; H728-W769 AromaticContact ND1-CZ3 3.27Å; H728-W769 VanDerWaalsContact ND1-CZ3 3.27Å; H728-W769 WeakPolarHBondContact ND1-CZ3 3.34Å |
| 729 | A | 81 | Confident | 72.8 | Confident | 4 Ų | 4 | 49.6 Ų | 49.6 | 3% | 0.033 | 28% | 0.277 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.1 | 160 | 168.7 | 0 | 0 | 0 | 0 | 0 | 109.5 | P700 V701 W702 I739 Y741 A792 | P700-A729 HydrophobicContact CB-CB 4.12Å; V701-A729 CarbonylContact O-C 3.46Å; V701-A729 VanDerWaalsContact O-CA 3.25Å; V701-A729 WeakPolarHBondContact O-CA 3.45Å; W702-A729 HydrophobicContact CD2-CB 4.18Å; W702-A729 HydrophobicContact CE3-CB 4.12Å; W702-A729 HydrophobicContact CG-CB 4.43Å; A729-I739 HydrophobicContact CB-CG2 4.39Å; A729-Y741 HydrophobicContact CB-CE1 4.06Å; A729-Y741 PolarHBondContact N-OH 2.84Å; A729-Y741 PolarHBondContact O-OH 2.87Å; A729-A792 HydrophobicContact CB-CB 3.88Å |
| 730 | L | 73.2 | Confident | 73.4 | Confident | 32 Ų | 32 | 47 Ų | 47 | 17% | 0.168 | 26% | 0.26 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.4 | 139.2 | 169.4 | -63.8 | 176.2 | 0 | 0 | 0 | 108.8 | P700 V701 Q703 G732 | P700-L730 CarbonylContact C-O 3.52Å; P700-L730 WeakPolarHBondContact CA-O 3.34Å; V701-L730 PolarHBondContact N-O 3.21Å; V701-L730 PolarHBondContact O-N 3.48Å; Q703-L730 HydrophobicContact CG-CD1 4.18Å; Q703-L730 HydrophobicContact CG-CG 3.88Å; L730-G732 PolarHBondContact O-N 3.19Å |
| 731 | S | 67.5 | Low | 74.1 | Confident | 4 Ų | 4 | 42.3 Ų | 42.3 | 3% | 0.028 | 24% | 0.237 | C | C | . | . | trans | -60.2 | 132.6 | 163.5 | 170 | 0 | 0 | 0 | 0 | 108.8 | A733 D734 D794 | S731-A733 VanDerWaalsContact C-N 3.33Å; S731-A733 PolarHBondContact OG-N 2.66Å; S731-A733 VanDerWaalsContact OG-N 3.15Å; S731-D734 VanDerWaalsContact CB-O 3.27Å; S731-D734 WeakPolarHBondContact CB-O 3.48Å; S731-D734 PolarHBondContact OG-N 2.64Å; S731-D734 PolarHBondContact OG-O 3.16Å; S731-D794 WeakPolarHBondContact CB-OD2 3.36Å; S731-D794 PolarHBondContact OG-OD2 3.3Å | ||
| 732 | G | 62.9 | Low | 74.5 | Confident | 30 Ų | 30 | 39.7 Ų | 39.7 | 31% | 0.309 | 23% | 0.225 | S | C | . | . | S | Bend | trans | -83.7 | -10 | 173.8 | 0 | 0 | 0 | 0 | 0 | 113.4 | H698 L730 | H698-G732 PolarHBondContact ND1-O 2.8Å; H698-G732 VanDerWaalsContact ND1-O 3.12Å; L730-G732 PolarHBondContact O-N 3.19Å |
| 733 | A | 54.7 | Low | 74.7 | Confident | 51 Ų | 51 | 35.1 Ų | 35.1 | 42% | 0.421 | 21% | 0.208 | S | C | . | . | S | Bend | trans | -80.5 | -48.6 | 176.7 | 0 | 0 | 0 | 0 | 0 | 111.2 | S731 | S731-A733 VanDerWaalsContact C-N 3.33Å; S731-A733 PolarHBondContact OG-N 2.66Å; S731-A733 VanDerWaalsContact OG-N 3.15Å |
| 734 | D | 57.9 | Low | 74.4 | Confident | 66 Ų | 66 | 38 Ų | 38 | 35% | 0.353 | 21% | 0.212 | S | C | . | . | trans | -150.9 | 121.2 | 171.1 | -177.6 | -32 | 0 | 0 | 0 | 107.7 | S731 T736 N737 | S731-D734 VanDerWaalsContact CB-O 3.27Å; S731-D734 WeakPolarHBondContact CB-O 3.48Å; S731-D734 PolarHBondContact OG-N 2.64Å; S731-D734 PolarHBondContact OG-O 3.16Å; D734-T736 PolarHBondContact O-N 3.05Å; D734-T736 WeakPolarHBondContact OD1-CB 3.2Å; D734-T736 PolarHBondContact OD1-N 3.49Å; D734-T736 PolarHBondContact OD1-OG1 2.79Å; D734-T736 PolarHBondContact OD2-OG1 2.88Å; D734-N737 WeakPolarHBondContact O-CB 3.27Å; D734-N737 PolarHBondContact O-N 3.04Å | ||
| 735 | P | 61.1 | Low | 74 | Confident | 89 Ų | 89 | 40.7 Ų | 40.7 | 58% | 0.578 | 23% | 0.227 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -67.1 | 0.9 | -178.1 | 29.9 | -36.7 | 0 | 0 | 0 | 114.5 | ||
| 736 | T | 62.3 | Low | 72.9 | Confident | 104 Ų | 104 | 42 Ų | 42 | 64% | 0.638 | 24% | 0.242 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -94.8 | -6.4 | 167.8 | 69.3 | 0 | 0 | 0 | 0 | 114 | D734 | D734-T736 PolarHBondContact O-N 3.05Å; D734-T736 WeakPolarHBondContact OD1-CB 3.2Å; D734-T736 PolarHBondContact OD1-N 3.49Å; D734-T736 PolarHBondContact OD1-OG1 2.79Å; D734-T736 PolarHBondContact OD2-OG1 2.88Å |
| 737 | N | 70.8 | Confident | 72.1 | Confident | 18 Ų | 18 | 44.9 Ų | 44.9 | 10% | 0.096 | 27% | 0.274 | C | S | . | . | S | Bend | trans | -67.1 | 132.3 | 170.8 | -73.3 | -2.7 | 0 | 0 | 0 | 110.1 | D734 D794 R796 | D734-N737 WeakPolarHBondContact O-CB 3.27Å; D734-N737 PolarHBondContact O-N 3.04Å; N737-D794 PolarHBondContact ND2-OD1 3.07Å; N737-D794 PolarHBondContact ND2-OD2 2.97Å; N737-R796 VanDerWaalsContact CG-CD 3.48Å; N737-R796 WeakPolarHBondContact OD1-CD 3.47Å; N737-R796 PolarHBondContact OD1-NH1 3.27Å |
| 738 | P | 75.3 | Confident | 71.2 | Confident | 41 Ų | 41 | 51.4 Ų | 51.4 | 27% | 0.266 | 30% | 0.302 | S | S | . | . | trans | -72 | 139.3 | 179.3 | 29 | -32.7 | 0 | 0 | 0 | 111.5 | D768 L795 | P738-D768 VanDerWaalsContact CA-OD2 3.29Å; P738-D768 WeakPolarHBondContact CA-OD2 3.3Å; P738-D768 WeakPolarHBondContact CB-OD2 3.5Å; P738-L795 HydrophobicContact CB-CD1 4.26Å; P738-L795 HydrophobicContact CG-CB 4.28Å; P738-L795 HydrophobicContact CG-CD1 4.25Å; P738-L795 PolarHBondContact O-N 3.48Å; P738-L795 VanDerWaalsContact O-N 3.15Å | ||
| 739 | I | 81.4 | Confident | 70.6 | Confident | 4 Ų | 4 | 53.8 Ų | 53.8 | 2% | 0.021 | 32% | 0.319 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.9 | 124.4 | 178.3 | -59 | -54.2 | 0 | 0 | 0 | 109.5 | P700 A729 Y741 Q761 D768 A792 T793 D794 | P700-I739 HydrophobicContact CB-CD1 4.29Å; P700-I739 HydrophobicContact CG-CD1 4.05Å; A729-I739 HydrophobicContact CB-CG2 4.39Å; I739-Y741 HydrophobicContact CB-CE2 4.34Å; I739-Y741 HydrophobicContact CG2-CD1 4.08Å; I739-Y741 HydrophobicContact CG2-CE1 3.5Å; I739-Y741 HydrophobicContact CG2-CE2 4.01Å; I739-Y741 VanDerWaalsContact CG2-CZ 3.45Å; I739-Q761 PolarHBondContact O-NE2 2.99Å; I739-D768 PolarHBondContact N-OD2 2.78Å; I739-D768 WeakPolarHBondContact O-CB 3.48Å; I739-A792 HydrophobicContact CG2-CB 3.98Å; I739-T793 CarbonylContact C-O 3.33Å; I739-T793 WeakPolarHBondContact CA-O 3.49Å; I739-D794 HydrophobicContact CD1-CB 3.67Å |
| 740 | Y | 82.3 | Confident | 70.4 | Confident | 106 Ų | 106 | 57 Ų | 57 | 42% | 0.416 | 34% | 0.335 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.8 | 153.7 | 166.2 | -176.3 | -108 | 0 | 0 | 0 | 110.6 | A792 T793 L795 | Y740-A792 CarbonylContact O-C 3.28Å; Y740-A792 WeakPolarHBondContact O-CA 3.43Å; Y740-T793 PolarHBondContact N-O 2.86Å; Y740-T793 PolarHBondContact O-N 2.79Å; Y740-L795 HydrophobicContact CG-CD2 4.49Å |
| 741 | Y | 87.2 | Confident | 70.7 | Confident | 4 Ų | 4 | 57.3 Ų | 57.3 | 2% | 0.016 | 34% | 0.338 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.8 | 143.9 | 175.9 | -52.1 | -86.8 | 0 | 0 | 0 | 110.1 | W702 H728 A729 I739 Q761 D768 V770 S791 A792 | W702-Y741 HydrophobicContact CE3-CE1 4.44Å; W702-Y741 AromaticContact CH2-CD1 3.56Å; W702-Y741 HydrophobicContact CH2-CD1 3.56Å; W702-Y741 AromaticContact CH2-CE1 3.91Å; W702-Y741 HydrophobicContact CH2-CE1 3.91Å; W702-Y741 HydrophobicContact CZ2-CD1 4.4Å; W702-Y741 AromaticContact CZ3-CD1 3.82Å; W702-Y741 HydrophobicContact CZ3-CD1 3.82Å; W702-Y741 AromaticContact CZ3-CE1 3.7Å; W702-Y741 HydrophobicContact CZ3-CE1 3.7Å; H728-Y741 WeakPolarHBondContact CA-OH 3.39Å; A729-Y741 HydrophobicContact CB-CE1 4.06Å; A729-Y741 PolarHBondContact N-OH 2.84Å; A729-Y741 PolarHBondContact O-OH 2.87Å; I739-Y741 HydrophobicContact CB-CE2 4.34Å; I739-Y741 HydrophobicContact CG2-CD1 4.08Å; I739-Y741 HydrophobicContact CG2-CE1 3.5Å; I739-Y741 HydrophobicContact CG2-CE2 4.01Å; I739-Y741 VanDerWaalsContact CG2-CZ 3.45Å; Y741-Q761 HydrophobicContact CD2-CG 4.25Å; Y741-D768 HydrophobicContact CE2-CB 3.93Å; Y741-D768 PolarHBondContact OH-O 3.26Å; Y741-V770 HydrophobicContact CD1-CB 4.14Å; Y741-V770 HydrophobicContact CD1-CG1 3.79Å; Y741-V770 HydrophobicContact CD2-CB 3.71Å; Y741-V770 HydrophobicContact CD2-CG1 4.22Å; Y741-V770 HydrophobicContact CE1-CG1 4.22Å; Y741-V770 HydrophobicContact CE2-CB 4.35Å; Y741-V770 HydrophobicContact CG-CB 3.59Å; Y741-V770 HydrophobicContact CG-CG1 3.79Å; Y741-V770 HydrophobicContact CG-CG2 4.33Å; Y741-S791 CarbonylContact C-O 3.48Å; Y741-S791 VanDerWaalsContact CA-O 3.24Å; Y741-S791 WeakPolarHBondContact CA-O 3.16Å; Y741-A792 HydrophobicContact CD1-CB 3.59Å; Y741-A792 HydrophobicContact CE1-CB 3.64Å |
| 742 | S | 79.4 | Confident | 71.4 | Confident | 34 Ų | 34 | 57.1 Ų | 57.1 | 24% | 0.238 | 34% | 0.337 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -143.9 | 142.2 | 172.4 | 60.2 | 0 | 0 | 0 | 0 | 111.6 | E759 I790 S791 | S742-E759 WeakPolarHBondContact CA-OE1 3.43Å; S742-I790 CarbonylContact O-C 3.52Å; S742-I790 WeakPolarHBondContact O-CA 3.49Å; S742-I790 WeakPolarHBondContact O-CG2 3.32Å; S742-S791 PolarHBondContact N-O 2.94Å; S742-S791 PolarHBondContact O-N 3.08Å |
| 743 | M | 81.7 | Confident | 72 | Confident | 17 Ų | 17 | 57.7 Ų | 57.7 | 8% | 0.084 | 34% | 0.336 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.3 | 147.1 | 170.9 | -163.6 | 171.5 | -63.7 | 0 | 0 | 109.9 | F757 E759 V772 L788 T789 I790 | M743-F757 HydrophobicContact SD-CB 4.35Å; M743-E759 HydrophobicContact CB-CB 4.31Å; M743-E759 HydrophobicContact CB-CG 4.27Å; M743-E759 WeakPolarHBondContact CB-OE2 3.48Å; M743-E759 HydrophobicContact CE-CB 4.29Å; M743-E759 PolarHBondContact N-OE1 2.8Å; M743-V772 HydrophobicContact CE-CB 4.36Å; M743-V772 HydrophobicContact CE-CG1 3.8Å; M743-V772 HydrophobicContact CE-CG2 3.58Å; M743-L788 HydrophobicContact CE-CB 4.36Å; M743-L788 HydrophobicContact CE-CD1 4.32Å; M743-L788 HydrophobicContact SD-CB 4.18Å; M743-L788 HydrophobicContact SD-CD2 4.26Å; M743-T789 CarbonylContact C-O 3.55Å; M743-T789 WeakPolarHBondContact CA-O 3.46Å; M743-T789 WeakPolarHBondContact CG-O 3.4Å; M743-I790 HydrophobicContact CE-CD1 4.15Å; M743-I790 HydrophobicContact CE-CG1 4.14Å; M743-I790 HydrophobicContact CG-CG1 4.38Å |
| 744 | R | 74.1 | Confident | 73.1 | Confident | 121 Ų | 121 | 58.5 Ų | 58.5 | 46% | 0.457 | 33% | 0.334 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.4 | 128.5 | 165.7 | -67 | -167.3 | -166.6 | 128 | 19.9 | 109.2 | T789 S791 D802 | R744-T789 PolarHBondContact N-O 2.92Å; R744-S791 PolarHBondContact NH2-OG 2.96Å; R744-D802 IonicContact CZ-OD1 3.89Å; R744-D802 IonicContact CZ-OD2 3.69Å; R744-D802 IonicContact NH1-OD1 2.96Å; R744-D802 IonicContact NH1-OD2 3.6Å; R744-D802 PolarHBondContact NH1-OD2 2.78Å; R744-D802 IonicContact NH2-OD1 3.21Å; R744-D802 PolarHBondContact NH2-OD1 2.82Å; R744-D802 IonicContact NH2-OD2 2.83Å; R744-D802 PolarHBondContact NH2-OD2 2.88Å |
| 745 | N | 69.7 | Low | 74.2 | Confident | 71 Ų | 71 | 60.5 Ų | 60.5 | 38% | 0.38 | 34% | 0.341 | S | S | . | . | P | Polyproline II helix | trans | -86.2 | 122.9 | 165.1 | -54.6 | -23.6 | 0 | 0 | 0 | 106.8 | N752 | N745-N752 WeakPolarHBondContact CB-O 3.12Å; N745-N752 PolarHBondContact OD1-ND2 3.41Å; N745-N752 PolarHBondContact OD1-O 2.7Å |
| 746 | G | 60.8 | Low | 75.1 | Confident | 33 Ų | 33 | 56.8 Ų | 56.8 | 34% | 0.34 | 32% | 0.316 | S | S | . | . | trans | -85.6 | -176.8 | 173 | 0 | 0 | 0 | 0 | 0 | 112.2 | K748 T751 S753 | G746-K748 VanDerWaalsContact C-N 3.3Å; G746-K748 PolarHBondContact O-N 2.91Å; G746-T751 VanDerWaalsContact CA-OG1 3.22Å; G746-T751 WeakPolarHBondContact CA-OG1 3.16Å; G746-T751 PolarHBondContact N-O 2.88Å; G746-S753 WeakPolarHBondContact O-CA 3.38Å; G746-S753 VanDerWaalsContact O-CB 3.26Å; G746-S753 WeakPolarHBondContact O-CB 3.41Å | ||
| 747 | A | 65.9 | Low | 76.3 | Confident | 106 Ų | 106 | 51.9 Ų | 51.9 | 88% | 0.876 | 29% | 0.286 | S | S | * | . | S | Bend | trans | -80.9 | -0.8 | -174.1 | 0 | 0 | 0 | 0 | 0 | 115 | T751 | A747-T751 PolarHBondContact N-OG1 3.47Š|
| 748 | K | 63.3 | Low | 76.9 | Confident | 136 Ų | 136 | 57.4 Ų | 57.4 | 59% | 0.591 | 31% | 0.305 | S | S | * | . | S | Bend | trans | -129.6 | 155 | -176 | -63.1 | -175.6 | 177.6 | -176 | 0 | 112.3 | G746 D750 T751 S753 | G746-K748 VanDerWaalsContact C-N 3.3Å; G746-K748 PolarHBondContact O-N 2.91Å; K748-D750 VanDerWaalsContact C-N 3.33Å; K748-D750 WeakPolarHBondContact CB-OD1 3.25Å; K748-D750 PolarHBondContact O-N 2.68Å; K748-T751 PolarHBondContact N-OG1 2.84Å; K748-T751 CarbonylContact O-C 3.19Å; K748-T751 WeakPolarHBondContact O-CA 3.42Å; K748-T751 PolarHBondContact O-N 3.17Å; K748-T751 PolarHBondContact O-OG1 2.78Å; K748-S753 WeakPolarHBondContact O-CB 3.24Å; K748-S753 PolarHBondContact O-N 2.67Å; K748-S753 PolarHBondContact O-OG 2.87Å |
| 749 | P | 70.4 | Confident | 77.1 | Confident | 59 Ų | 59 | 57.6 Ų | 57.6 | 38% | 0.383 | 30% | 0.303 | S | S | . | . | G | 310 helix | trans | -54.1 | -45.2 | -179.8 | -29.1 | 36.8 | 0 | 0 | 0 | 113.7 | T751 N752 S753 Y786 | P749-T751 PolarHBondContact O-N 2.89Å; P749-T751 VanDerWaalsContact O-N 3.08Å; P749-N752 PolarHBondContact O-N 3.45Å; P749-S753 VanDerWaalsContact CA-OG 3.3Å; P749-S753 WeakPolarHBondContact CA-OG 3.47Å; P749-Y786 VanDerWaalsContact O-CD1 3.28Å; P749-Y786 WeakPolarHBondContact O-CD1 3.44Å; P749-Y786 WeakPolarHBondContact O-CE1 3.02Å |
| 750 | D | 76.6 | Confident | 77.1 | Confident | 70 Ų | 70 | 60.6 Ų | 60.6 | 37% | 0.374 | 32% | 0.316 | S | S | . | . | G | 310 helix | trans | -64.5 | -8.7 | 174.9 | 66.8 | -34.2 | 0 | 0 | 0 | 113.8 | K748 S785 Y786 D787 | K748-D750 VanDerWaalsContact C-N 3.33Å; K748-D750 WeakPolarHBondContact CB-OD1 3.25Å; K748-D750 PolarHBondContact O-N 2.68Å; D750-S785 WeakPolarHBondContact CB-O 3.41Å; D750-Y786 CarbonylContact O-C 3.59Å; D750-Y786 WeakPolarHBondContact O-CA 3.25Å; D750-D787 PolarHBondContact O-N 3.46Å |
| 751 | T | 79.4 | Confident | 76.9 | Confident | 39 Ų | 39 | 59.8 Ų | 59.8 | 24% | 0.239 | 32% | 0.316 | C | S | . | . | G | 310 helix | trans | -110.3 | 20.4 | 174.3 | 62.9 | 0 | 0 | 0 | 0 | 113.1 | G746 A747 K748 P749 | G746-T751 VanDerWaalsContact CA-OG1 3.22Å; G746-T751 WeakPolarHBondContact CA-OG1 3.16Å; G746-T751 PolarHBondContact N-O 2.88Å; A747-T751 PolarHBondContact N-OG1 3.47Å; K748-T751 PolarHBondContact N-OG1 2.84Å; K748-T751 CarbonylContact O-C 3.19Å; K748-T751 WeakPolarHBondContact O-CA 3.42Å; K748-T751 PolarHBondContact O-N 3.17Å; K748-T751 PolarHBondContact O-OG1 2.78Å; P749-T751 PolarHBondContact O-N 2.89Å; P749-T751 VanDerWaalsContact O-N 3.08Å |
| 752 | N | 83 | Confident | 76.4 | Confident | 1 Ų | 1 | 62 Ų | 62 | 1% | 0.005 | 33% | 0.326 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 68.6 | 26 | -179.9 | -156.7 | 54.2 | 0 | 0 | 0 | 115.3 | N745 P749 N754 Q755 D756 F757 L788 | N745-N752 WeakPolarHBondContact CB-O 3.12Å; N745-N752 PolarHBondContact OD1-ND2 3.41Å; N745-N752 PolarHBondContact OD1-O 2.7Å; P749-N752 PolarHBondContact O-N 3.45Å; N752-N754 PolarHBondContact O-N 3.38Å; N752-Q755 PolarHBondContact O-N 2.73Å; N752-D756 PolarHBondContact OD1-N 3.27Å; N752-F757 PolarHBondContact ND2-O 2.92Å; N752-F757 PolarHBondContact OD1-N 3.07Å; N752-L788 HydrophobicContact CB-CD2 3.77Å |
| 753 | S | 75.3 | Confident | 76 | Confident | 41 Ų | 41 | 66.6 Ų | 66.6 | 29% | 0.287 | 34% | 0.342 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -52.7 | -39.9 | 174.8 | 61 | 0 | 0 | 0 | 0 | 112.5 | G746 K748 P749 Q755 | G746-S753 WeakPolarHBondContact O-CA 3.38Å; G746-S753 VanDerWaalsContact O-CB 3.26Å; G746-S753 WeakPolarHBondContact O-CB 3.41Å; K748-S753 WeakPolarHBondContact O-CB 3.24Å; K748-S753 PolarHBondContact O-N 2.67Å; K748-S753 PolarHBondContact O-OG 2.87Å; P749-S753 VanDerWaalsContact CA-OG 3.3Å; P749-S753 WeakPolarHBondContact CA-OG 3.47Å; S753-Q755 PolarHBondContact O-N 3.23Å |
| 754 | N | 78 | Confident | 75.5 | Confident | 69 Ų | 69 | 70.1 Ų | 70.1 | 37% | 0.369 | 35% | 0.354 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -74.8 | -6.8 | -177.5 | -59.2 | -12.9 | 0 | 0 | 0 | 114.1 | N752 D756 K776 | N752-N754 PolarHBondContact O-N 3.38Å; N754-D756 VanDerWaalsContact C-N 3.28Å; N754-D756 VanDerWaalsContact CB-OD1 3.24Å; N754-D756 WeakPolarHBondContact CB-OD1 3.45Å; N754-D756 VanDerWaalsContact CB-OD2 3.3Å; N754-D756 WeakPolarHBondContact CB-OD2 3.49Å; N754-D756 PolarHBondContact ND2-OD2 3.41Å; N754-D756 PolarHBondContact O-N 3.44Å; N754-K776 PolarHBondContact O-NZ 2.7Å |
| 755 | Q | 79.7 | Confident | 74.9 | Confident | 107 Ų | 107 | 72 Ų | 72 | 50% | 0.5 | 37% | 0.374 | S | S | . | . | trans | 59.3 | 33.8 | -173.1 | -39.8 | -166.6 | 21.6 | 0 | 0 | 113.9 | N752 S753 F757 | N752-Q755 PolarHBondContact O-N 2.73Å; S753-Q755 PolarHBondContact O-N 3.23Å; Q755-F757 PolarHBondContact O-N 2.95Å | ||
| 756 | D | 80.6 | Confident | 74.3 | Confident | 11 Ų | 11 | 77.8 Ų | 77.8 | 6% | 0.059 | 40% | 0.398 | C | S | . | . | trans | -65.7 | -25.7 | -179.5 | -57.4 | -30.7 | 0 | 0 | 0 | 111.5 | N752 N754 N774 L775 K776 L778 Y786 | N752-D756 PolarHBondContact OD1-N 3.27Å; N754-D756 VanDerWaalsContact C-N 3.28Å; N754-D756 VanDerWaalsContact CB-OD1 3.24Å; N754-D756 WeakPolarHBondContact CB-OD1 3.45Å; N754-D756 VanDerWaalsContact CB-OD2 3.3Å; N754-D756 WeakPolarHBondContact CB-OD2 3.49Å; N754-D756 PolarHBondContact ND2-OD2 3.41Å; N754-D756 PolarHBondContact O-N 3.44Å; D756-N774 CarbonylContact O-C 3.48Å; D756-N774 VanDerWaalsContact O-CA 3.29Å; D756-N774 WeakPolarHBondContact O-CA 3.37Å; D756-L775 PolarHBondContact O-N 2.81Å; D756-K776 WeakPolarHBondContact OD1-CD 3.36Å; D756-K776 IonicContact OD1-NZ 3.58Å; D756-K776 PolarHBondContact OD1-NZ 3.19Å; D756-L778 HydrophobicContact CB-CD2 4.49Å; D756-Y786 HydrophobicContact CB-CE1 4.42Å; D756-Y786 PolarHBondContact OD2-OH 3.11Å | ||
| 757 | F | 87.3 | Confident | 74.9 | Confident | 2 Ų | 2 | 81.3 Ų | 81.3 | 1% | 0.009 | 40% | 0.401 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.8 | 146 | 170.9 | -57.7 | -94.2 | 0 | 0 | 0 | 111.5 | F724 M743 N752 Q755 V772 R773 N774 L778 Y786 L788 V807 | F724-F757 AromaticContact CD1-CE1 3.91Å; F724-F757 HydrophobicContact CD1-CE1 3.91Å; F724-F757 HydrophobicContact CD2-CD1 4.27Å; F724-F757 HydrophobicContact CD2-CE1 4.02Å; F724-F757 AromaticContact CE1-CE1 3.68Å; F724-F757 HydrophobicContact CE1-CE1 3.68Å; F724-F757 HydrophobicContact CE1-CZ 4.33Å; F724-F757 HydrophobicContact CE2-CD1 4.37Å; F724-F757 AromaticContact CE2-CE1 3.84Å; F724-F757 HydrophobicContact CE2-CE1 3.84Å; F724-F757 HydrophobicContact CG-CD1 4.46Å; F724-F757 HydrophobicContact CG-CE1 4.1Å; F724-F757 AromaticContact CZ-CE1 3.67Å; F724-F757 HydrophobicContact CZ-CE1 3.67Å; F724-F757 HydrophobicContact CZ-CZ 4.41Å; M743-F757 HydrophobicContact SD-CB 4.35Å; N752-F757 PolarHBondContact ND2-O 2.92Å; N752-F757 PolarHBondContact OD1-N 3.07Å; Q755-F757 PolarHBondContact O-N 2.95Å; F757-V772 HydrophobicContact CB-CG1 4.24Å; F757-V772 HydrophobicContact CD1-CG1 4.29Å; F757-R773 WeakPolarHBondContact CA-O 3.3Å; F757-N774 HydrophobicContact CD1-CB 4.42Å; F757-N774 HydrophobicContact CE1-CB 4.39Å; F757-L778 HydrophobicContact CE1-CD1 4.17Å; F757-L778 HydrophobicContact CE2-CD2 4.14Å; F757-L778 HydrophobicContact CZ-CD1 3.78Å; F757-L778 HydrophobicContact CZ-CD2 3.92Å; F757-Y786 HydrophobicContact CD2-CD1 4.28Å; F757-Y786 HydrophobicContact CD2-CG 4.35Å; F757-Y786 AromaticContact CE2-CD1 3.77Å; F757-Y786 HydrophobicContact CE2-CD1 3.77Å; F757-Y786 AromaticContact CE2-CD2 3.59Å; F757-Y786 HydrophobicContact CE2-CD2 3.59Å; F757-Y786 AromaticContact CE2-CE1 3.95Å; F757-Y786 HydrophobicContact CE2-CE1 3.95Å; F757-Y786 AromaticContact CE2-CE2 3.81Å; F757-Y786 HydrophobicContact CE2-CE2 3.81Å; F757-Y786 AromaticContact CE2-CG 3.57Å; F757-Y786 HydrophobicContact CE2-CG 3.57Å; F757-Y786 AromaticContact CE2-CZ 3.97Å; F757-Y786 AromaticContact CZ-CD2 3.99Å; F757-Y786 HydrophobicContact CZ-CD2 3.99Å; F757-Y786 HydrophobicContact CZ-CE2 4.21Å; F757-Y786 HydrophobicContact CZ-CG 4.34Å; F757-L788 HydrophobicContact CB-CD1 3.81Å; F757-L788 HydrophobicContact CB-CD2 4.11Å; F757-L788 HydrophobicContact CD1-CD1 3.81Å; F757-L788 HydrophobicContact CD2-CD1 4.07Å; F757-L788 HydrophobicContact CD2-CD2 3.73Å; F757-L788 HydrophobicContact CE1-CD1 4.42Å; F757-L788 HydrophobicContact CE2-CD2 4.44Å; F757-L788 HydrophobicContact CG-CD1 3.61Å; F757-L788 HydrophobicContact CG-CD2 4.01Å; F757-L788 HydrophobicContact CG-CG 4.47Å; F757-V807 HydrophobicContact CE1-CG1 4.26Å; F757-V807 HydrophobicContact CE1-CG2 4.26Å; F757-V807 HydrophobicContact CZ-CB 4.36Å; F757-V807 HydrophobicContact CZ-CG1 4.02Å; F757-V807 HydrophobicContact CZ-CG2 4.42Å |
| 758 | R | 83.4 | Confident | 75.6 | Confident | 134 Ų | 134 | 77.1 Ų | 77.1 | 51% | 0.506 | 36% | 0.364 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -139.8 | 149.2 | 174.1 | -170.7 | 169.9 | -177.7 | 176.7 | 5.7 | 112.2 | F760 R773 L775 | R758-F760 HydrophobicContact CB-CE2 4.16Å; R758-F760 HydrophobicContact CG-CE2 4.39Å; R758-R773 PolarHBondContact N-O 3.04Å; R758-R773 PolarHBondContact O-N 3.39Å; R758-L775 HydrophobicContact CB-CD1 3.64Å; R758-L775 HydrophobicContact CB-CD2 4.27Å; R758-L775 HydrophobicContact CB-CG 3.87Å; R758-L775 HydrophobicContact CG-CD1 4.35Å |
| 759 | E | 79 | Confident | 76.6 | Confident | 45 Ų | 45 | 72.4 Ų | 72.4 | 21% | 0.21 | 34% | 0.343 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.6 | 140.5 | 178 | 84 | -73.2 | -160.5 | 0 | 0 | 112.6 | S742 M743 V770 | S742-E759 WeakPolarHBondContact CA-OE1 3.43Å; M743-E759 HydrophobicContact CB-CB 4.31Å; M743-E759 HydrophobicContact CB-CG 4.27Å; M743-E759 WeakPolarHBondContact CB-OE2 3.48Å; M743-E759 HydrophobicContact CE-CB 4.29Å; M743-E759 PolarHBondContact N-OE1 2.8Å; E759-V770 HydrophobicContact CB-CG2 3.62Å; E759-V770 HydrophobicContact CG-CG2 4.18Å |
| 760 | F | 81.4 | Confident | 77.4 | Confident | 67 Ų | 67 | 69.7 Ų | 69.7 | 29% | 0.294 | 33% | 0.325 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.8 | 124.9 | 179.6 | -65.7 | -98.2 | 0 | 0 | 0 | 109.4 | R758 V770 V771 R773 L775 | R758-F760 HydrophobicContact CB-CE2 4.16Å; R758-F760 HydrophobicContact CG-CE2 4.39Å; F760-V770 CarbonylContact O-C 3.44Å; F760-V770 WeakPolarHBondContact O-CA 3.46Å; F760-V771 PolarHBondContact N-O 2.85Å; F760-V771 PolarHBondContact O-N 3.08Å; F760-R773 VanDerWaalsContact CB-NH1 3.28Å; F760-R773 HydrophobicContact CD2-CB 4.35Å; F760-R773 HydrophobicContact CD2-CG 4.26Å; F760-R773 HydrophobicContact CE2-CB 3.97Å; F760-R773 HydrophobicContact CE2-CG 4.28Å; F760-R773 VanDerWaalsContact CG-NH1 3.33Å; F760-L775 HydrophobicContact CZ-CD2 4.22Å |
| 761 | Q | 78 | Confident | 77.9 | Confident | 89 Ų | 89 | 66.3 Ų | 66.3 | 42% | 0.416 | 31% | 0.307 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.3 | 121.9 | 179.8 | -167.9 | -180 | 19.6 | 0 | 0 | 110.9 | I739 Y741 W769 | I739-Q761 PolarHBondContact O-NE2 2.99Å; Y741-Q761 HydrophobicContact CD2-CG 4.25Å; Q761-W769 CarbonylContact C-O 3.52Å; Q761-W769 WeakPolarHBondContact CA-O 3.48Å |
| 762 | E | 77.5 | Confident | 78.4 | Confident | 51 Ų | 51 | 64.5 Ų | 64.5 | 24% | 0.238 | 30% | 0.295 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.7 | 130.2 | 179.7 | -70.1 | -174.4 | -151.1 | 0 | 0 | 111 | R764 W769 V771 R773 | E762-R764 IonicContact OE1-NH2 3.02Å; E762-R764 IonicContact OE2-CZ 2.71Å; E762-R764 IonicContact OE2-NE 3Å; E762-R764 PolarHBondContact OE2-NE 2.63Å; E762-R764 IonicContact OE2-NH2 3.71Å; E762-R764 PolarHBondContact OE2-NH2 2.88Å; E762-W769 PolarHBondContact N-O 3.07Å; E762-W769 WeakPolarHBondContact O-CA 3.18Å; E762-W769 WeakPolarHBondContact O-CB 3.38Å; E762-W769 PolarHBondContact O-N 2.82Å; E762-V771 HydrophobicContact CB-CG2 4.41Å; E762-V771 HydrophobicContact CG-CG2 4.1Å; E762-V771 WeakPolarHBondContact OE1-CG2 3.41Å; E762-R773 IonicContact OE1-CZ 2.7Å; E762-R773 IonicContact OE1-NH1 3.73Å; E762-R773 IonicContact OE1-NH2 3.47Å; E762-R773 PolarHBondContact OE1-NH2 2.95Å |
| 763 | K | 71.7 | Confident | 78.4 | Confident | 130 Ų | 130 | 66.5 Ų | 66.5 | 57% | 0.565 | 30% | 0.303 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -99.4 | 107.5 | -179.9 | -153 | 177.7 | -167.5 | 92.6 | 0 | 111 | R767 D768 | K763-R767 CarbonylContact C-O 3.55Å; K763-R767 WeakPolarHBondContact CA-O 3.45Å; K763-R767 WeakPolarHBondContact CG-O 3.25Å; K763-D768 WeakPolarHBondContact CG-OD1 3.5Å; K763-D768 IonicContact NZ-OD1 2.88Å; K763-D768 PolarHBondContact NZ-OD1 3.19Å; K763-D768 IonicContact NZ-OD2 2.76Å; K763-D768 PolarHBondContact NZ-OD2 3.48Å |
| 764 | R | 70 | Confident | 78.8 | Confident | 91 Ų | 91 | 64.6 Ų | 64.6 | 34% | 0.343 | 29% | 0.289 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.4 | 128.6 | -174.9 | -58 | -176.3 | -173.3 | 169.3 | 5.5 | 110.9 | E726 E762 E766 R767 | E726-R764 VanDerWaalsContact CD-NH1 3.35Å; E726-R764 IonicContact OE1-NH1 3.55Å; E726-R764 PolarHBondContact OE1-NH1 2.81Å; E726-R764 IonicContact OE2-CZ 3.55Å; E726-R764 VanDerWaalsContact OE2-CZ 3.31Å; E726-R764 IonicContact OE2-NH1 2.71Å; E726-R764 PolarHBondContact OE2-NH1 2.68Å; E726-R764 IonicContact OE2-NH2 2.59Å; E726-R764 PolarHBondContact OE2-NH2 3.16Å; E726-R764 VanDerWaalsContact OE2-NH2 3.17Å; E762-R764 IonicContact OE1-NH2 3.02Å; E762-R764 IonicContact OE2-CZ 2.71Å; E762-R764 IonicContact OE2-NE 3Å; E762-R764 PolarHBondContact OE2-NE 2.63Å; E762-R764 IonicContact OE2-NH2 3.71Å; E762-R764 PolarHBondContact OE2-NH2 2.88Å; R764-E766 PolarHBondContact O-N 3.2Å; R764-R767 PolarHBondContact N-O 2.85Å; R764-R767 PolarHBondContact O-N 3.04Å; R764-R767 VanDerWaalsContact O-N 3.14Å |
| 765 | N | 62.2 | Low | 78.7 | Confident | 161 Ų | 161 | 64.1 Ų | 64.1 | 86% | 0.861 | 29% | 0.287 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 49.8 | 52.8 | -177 | -63.1 | -35.2 | 0 | 0 | 0 | 113.1 | R767 | N765-R767 PolarHBondContact O-N 3.11Š|
| 766 | E | 57 | Low | 78.3 | Confident | 191 Ų | 191 | 63.4 Ų | 63.4 | 89% | 0.893 | 28% | 0.282 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 61.6 | 5.1 | -178.3 | -56.5 | -176.5 | 154.4 | 0 | 0 | 115.7 | R764 | R764-E766 PolarHBondContact O-N 3.2Š|
| 767 | R | 73.2 | Confident | 77.9 | Confident | 108 Ų | 108 | 65.2 Ų | 65.2 | 41% | 0.408 | 30% | 0.303 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.9 | 146.2 | 176.2 | -64.4 | -177.7 | 177.2 | -161.6 | -3.8 | 112.5 | H728 K763 R764 N765 | H728-R767 PolarHBondContact NE2-NH1 2.75Å; K763-R767 CarbonylContact C-O 3.55Å; K763-R767 WeakPolarHBondContact CA-O 3.45Å; K763-R767 WeakPolarHBondContact CG-O 3.25Å; R764-R767 PolarHBondContact N-O 2.85Å; R764-R767 PolarHBondContact O-N 3.04Å; R764-R767 VanDerWaalsContact O-N 3.14Å; N765-R767 PolarHBondContact O-N 3.11Å |
| 768 | D | 79.7 | Confident | 77.7 | Confident | 17 Ų | 17 | 65.9 Ų | 65.9 | 9% | 0.091 | 31% | 0.307 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.4 | 129.6 | 172.3 | -59.2 | -65.8 | 0 | 0 | 0 | 111 | H728 P738 I739 Y741 K763 | H728-D768 WeakPolarHBondContact CB-O 3.02Å; P738-D768 VanDerWaalsContact CA-OD2 3.29Å; P738-D768 WeakPolarHBondContact CA-OD2 3.3Å; P738-D768 WeakPolarHBondContact CB-OD2 3.5Å; I739-D768 PolarHBondContact N-OD2 2.78Å; I739-D768 WeakPolarHBondContact O-CB 3.48Å; Y741-D768 HydrophobicContact CE2-CB 3.93Å; Y741-D768 PolarHBondContact OH-O 3.26Å; K763-D768 WeakPolarHBondContact CG-OD1 3.5Å; K763-D768 IonicContact NZ-OD1 2.88Å; K763-D768 PolarHBondContact NZ-OD1 3.19Å; K763-D768 IonicContact NZ-OD2 2.76Å; K763-D768 PolarHBondContact NZ-OD2 3.48Å |
| 769 | W | 85 | Confident | 77.6 | Confident | 38 Ų | 38 | 62.6 Ų | 62.6 | 14% | 0.144 | 30% | 0.299 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.5 | 163.9 | 173.4 | -65.4 | 69.6 | 0 | 0 | 0 | 110.4 | T705 E726 C727 H728 Q761 E762 | T705-W769 HydrophobicContact CG2-CH2 4.44Å; E726-W769 HydrophobicContact CB-CE3 4.43Å; E726-W769 HydrophobicContact CG-CE3 4.49Å; E726-W769 HydrophobicContact CG-CZ3 4.4Å; C727-W769 CarbonylContact O-C 3.57Å; C727-W769 WeakPolarHBondContact O-CA 3.32Å; H728-W769 HydrophobicContact CB-CB 4.35Å; H728-W769 HydrophobicContact CB-CD2 3.76Å; H728-W769 HydrophobicContact CB-CE3 3.97Å; H728-W769 HydrophobicContact CB-CG 3.92Å; H728-W769 AromaticContact CE1-CE2 3.95Å; H728-W769 AromaticContact CE1-CH2 3.43Å; H728-W769 VanDerWaalsContact CE1-CH2 3.43Å; H728-W769 WeakPolarHBondContact CE1-CH2 3.17Å; H728-W769 AromaticContact CE1-CZ2 3.42Å; H728-W769 VanDerWaalsContact CE1-CZ2 3.42Å; H728-W769 WeakPolarHBondContact CE1-CZ2 3.24Å; H728-W769 AromaticContact CE1-CZ3 3.96Å; H728-W769 AromaticContact CG-CD2 3.9Å; H728-W769 AromaticContact CG-CE2 3.92Å; H728-W769 AromaticContact ND1-CD2 3.64Å; H728-W769 AromaticContact ND1-CE2 3.54Å; H728-W769 AromaticContact ND1-CE3 3.47Å; H728-W769 AromaticContact ND1-CH2 3.22Å; H728-W769 WeakPolarHBondContact ND1-CH2 3.29Å; H728-W769 AromaticContact ND1-CZ2 3.35Å; H728-W769 WeakPolarHBondContact ND1-CZ2 3.47Å; H728-W769 AromaticContact ND1-CZ3 3.27Å; H728-W769 VanDerWaalsContact ND1-CZ3 3.27Å; H728-W769 WeakPolarHBondContact ND1-CZ3 3.34Å; Q761-W769 CarbonylContact C-O 3.52Å; Q761-W769 WeakPolarHBondContact CA-O 3.48Å; E762-W769 PolarHBondContact N-O 3.07Å; E762-W769 WeakPolarHBondContact O-CA 3.18Å; E762-W769 WeakPolarHBondContact O-CB 3.38Å; E762-W769 PolarHBondContact O-N 2.82Å |
| 770 | V | 87.6 | Confident | 77.8 | Confident | 1 Ų | 1 | 62.4 Ų | 62.4 | 1% | 0.006 | 30% | 0.297 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.2 | 131.3 | 169.3 | 59.9 | 0 | 0 | 0 | 0 | 109.8 | W702 E726 C727 Y741 E759 F760 | W702-V770 HydrophobicContact CH2-CG1 4.14Å; W702-V770 HydrophobicContact CZ3-CG1 3.96Å; E726-V770 CarbonylContact C-O 3.19Å; E726-V770 WeakPolarHBondContact CA-O 3.24Å; C727-V770 HydrophobicContact CB-CG1 3.83Å; C727-V770 PolarHBondContact N-O 2.92Å; C727-V770 PolarHBondContact O-N 2.79Å; Y741-V770 HydrophobicContact CD1-CB 4.14Å; Y741-V770 HydrophobicContact CD1-CG1 3.79Å; Y741-V770 HydrophobicContact CD2-CB 3.71Å; Y741-V770 HydrophobicContact CD2-CG1 4.22Å; Y741-V770 HydrophobicContact CE1-CG1 4.22Å; Y741-V770 HydrophobicContact CE2-CB 4.35Å; Y741-V770 HydrophobicContact CG-CB 3.59Å; Y741-V770 HydrophobicContact CG-CG1 3.79Å; Y741-V770 HydrophobicContact CG-CG2 4.33Å; E759-V770 HydrophobicContact CB-CG2 3.62Å; E759-V770 HydrophobicContact CG-CG2 4.18Å; F760-V770 CarbonylContact O-C 3.44Å; F760-V770 WeakPolarHBondContact O-CA 3.46Å |
| 771 | V | 86.6 | Confident | 77.8 | Confident | 0 Ų | 0 | 62.6 Ų | 62.6 | 0% | 0 | 30% | 0.299 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.6 | 128 | -180 | -173 | 0 | 0 | 0 | 0 | 108.2 | V723 E726 F760 E762 | V723-V771 HydrophobicContact CB-CG1 4.29Å; V723-V771 HydrophobicContact CG1-CG1 3.5Å; V723-V771 VanDerWaalsContact CG1-CG1 3.5Å; V723-V771 HydrophobicContact CG2-CG1 3.84Å; E726-V771 HydrophobicContact CB-CG1 4.46Å; E726-V771 HydrophobicContact CB-CG2 3.95Å; F760-V771 PolarHBondContact N-O 2.85Å; F760-V771 PolarHBondContact O-N 3.08Å; E762-V771 HydrophobicContact CB-CG2 4.41Å; E762-V771 HydrophobicContact CG-CG2 4.1Å; E762-V771 WeakPolarHBondContact OE1-CG2 3.41Å |
| 772 | V | 89 | Confident | 77.9 | Confident | 0 Ų | 0 | 65.9 Ų | 65.9 | 0% | 0 | 31% | 0.312 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.3 | 130.1 | 179.5 | 174.7 | 0 | 0 | 0 | 0 | 110.2 | F724 F725 M743 F757 L788 I790 | F724-V772 PolarHBondContact N-O 2.92Å; F725-V772 HydrophobicContact CD1-CB 4.33Å; F725-V772 HydrophobicContact CD2-CB 4.35Å; F725-V772 HydrophobicContact CD2-CG2 4.19Å; F725-V772 HydrophobicContact CE1-CB 3.98Å; F725-V772 HydrophobicContact CE1-CG1 4.03Å; F725-V772 HydrophobicContact CE1-CG2 4.25Å; F725-V772 HydrophobicContact CE2-CB 4.01Å; F725-V772 HydrophobicContact CE2-CG2 3.53Å; F725-V772 HydrophobicContact CZ-CB 3.81Å; F725-V772 HydrophobicContact CZ-CG1 4.08Å; F725-V772 HydrophobicContact CZ-CG2 3.56Å; F725-V772 PolarHBondContact O-N 2.7Å; M743-V772 HydrophobicContact CE-CB 4.36Å; M743-V772 HydrophobicContact CE-CG1 3.8Å; M743-V772 HydrophobicContact CE-CG2 3.58Å; F757-V772 HydrophobicContact CB-CG1 4.24Å; F757-V772 HydrophobicContact CD1-CG1 4.29Å; V772-L788 HydrophobicContact CG1-CD1 3.99Å; V772-I790 HydrophobicContact CG2-CD1 3.64Å |
| 773 | R | 84.8 | Confident | 78.1 | Confident | 44 Ų | 44 | 64.5 Ų | 64.5 | 17% | 0.166 | 31% | 0.306 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.2 | 152.9 | 177.6 | -60.9 | 175.6 | 177.4 | 90.1 | 2.5 | 110.8 | N721 Y722 V723 F757 R758 F760 E762 | N721-R773 WeakPolarHBondContact O-CD 3.34Å; Y722-R773 VanDerWaalsContact O-CA 3.22Å; Y722-R773 WeakPolarHBondContact O-CA 3.39Å; V723-R773 HydrophobicContact CG2-CG 3.94Å; F757-R773 WeakPolarHBondContact CA-O 3.3Å; R758-R773 PolarHBondContact N-O 3.04Å; R758-R773 PolarHBondContact O-N 3.39Å; F760-R773 VanDerWaalsContact CB-NH1 3.28Å; F760-R773 HydrophobicContact CD2-CB 4.35Å; F760-R773 HydrophobicContact CD2-CG 4.26Å; F760-R773 HydrophobicContact CE2-CB 3.97Å; F760-R773 HydrophobicContact CE2-CG 4.28Å; F760-R773 VanDerWaalsContact CG-NH1 3.33Å; E762-R773 IonicContact OE1-CZ 2.7Å; E762-R773 IonicContact OE1-NH1 3.73Å; E762-R773 IonicContact OE1-NH2 3.47Å; E762-R773 PolarHBondContact OE1-NH2 2.95Å |
| 774 | N | 82 | Confident | 78.6 | Confident | 0 Ų | 0 | 61.9 Ų | 61.9 | 0% | 0 | 30% | 0.295 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -77.7 | 139.5 | 164.8 | 61.6 | -36 | 0 | 0 | 0 | 110.5 | Q719 N721 Y722 F724 D756 F757 K776 L778 | Q719-N774 PolarHBondContact O-ND2 2.85Å; Q719-N774 PolarHBondContact O-OD1 2.95Å; Q719-N774 VanDerWaalsContact O-OD1 3.13Å; N721-N774 WeakPolarHBondContact CA-O 3.44Å; N721-N774 PolarHBondContact N-O 3Å; N721-N774 PolarHBondContact N-OD1 2.72Å; Y722-N774 PolarHBondContact N-OD1 3.17Å; Y722-N774 PolarHBondContact O-OD1 3.47Å; F724-N774 HydrophobicContact CE2-CB 3.72Å; F724-N774 HydrophobicContact CZ-CB 4.34Å; D756-N774 CarbonylContact O-C 3.48Å; D756-N774 VanDerWaalsContact O-CA 3.29Å; D756-N774 WeakPolarHBondContact O-CA 3.37Å; F757-N774 HydrophobicContact CD1-CB 4.42Å; F757-N774 HydrophobicContact CE1-CB 4.39Å; N774-K776 PolarHBondContact ND2-O 3.42Å; N774-L778 HydrophobicContact CB-CD1 4.46Å |
| 775 | L | 75.9 | Confident | 79.2 | Confident | 59 Ų | 59 | 59.6 Ų | 59.6 | 31% | 0.309 | 29% | 0.293 | S | S | . | . | S | Bend | trans | -96.3 | -13.9 | 171.8 | -64.7 | -179 | 0 | 0 | 0 | 112.8 | I720 D756 R758 F760 | I720-L775 WeakPolarHBondContact CG2-O 3.27Å; D756-L775 PolarHBondContact O-N 2.81Å; R758-L775 HydrophobicContact CB-CD1 3.64Å; R758-L775 HydrophobicContact CB-CD2 4.27Å; R758-L775 HydrophobicContact CB-CG 3.87Å; R758-L775 HydrophobicContact CG-CD1 4.35Å; F760-L775 HydrophobicContact CZ-CD2 4.22Å |
| 776 | K | 71.6 | Confident | 80.5 | Confident | 93 Ų | 93 | 52.4 Ų | 52.4 | 40% | 0.404 | 25% | 0.254 | S | S | . | . | S | Bend | trans | -132.9 | 166.6 | -179.2 | -56.8 | -178.1 | -157.1 | 147.7 | 0 | 110.5 | N754 D756 N774 | N754-K776 PolarHBondContact O-NZ 2.7Å; D756-K776 WeakPolarHBondContact OD1-CD 3.36Å; D756-K776 IonicContact OD1-NZ 3.58Å; D756-K776 PolarHBondContact OD1-NZ 3.19Å; N774-K776 PolarHBondContact ND2-O 3.42Å |
| 777 | G | 73.9 | Confident | 81.6 | Confident | 49 Ų | 49 | 45.5 Ų | 45.5 | 51% | 0.505 | 22% | 0.223 | S | C | . | . | trans | -61.8 | 159 | 163.8 | 0 | 0 | 0 | 0 | 0 | 111 | ||||
| 778 | L | 82.8 | Confident | 82.3 | Confident | 16 Ų | 16 | 40.4 Ų | 40.4 | 8% | 0.084 | 20% | 0.204 | C | C | . | . | trans | -118.8 | 155.2 | -179.8 | -59.1 | 173.6 | 0 | 0 | 0 | 108.9 | V718 F724 D756 F757 N774 Y786 L809 | V718-L778 HydrophobicContact CG1-CD1 3.82Å; V718-L778 HydrophobicContact CG1-CG 4.46Å; F724-L778 HydrophobicContact CE1-CD1 4.2Å; F724-L778 HydrophobicContact CZ-CD1 3.59Å; D756-L778 HydrophobicContact CB-CD2 4.49Å; F757-L778 HydrophobicContact CE1-CD1 4.17Å; F757-L778 HydrophobicContact CE2-CD2 4.14Å; F757-L778 HydrophobicContact CZ-CD1 3.78Å; F757-L778 HydrophobicContact CZ-CD2 3.92Å; N774-L778 HydrophobicContact CB-CD1 4.46Å; L778-Y786 HydrophobicContact CD2-CE2 4.25Å; L778-L809 HydrophobicContact CB-CD1 3.9Å; L778-L809 HydrophobicContact CB-CD2 3.86Å; L778-L809 HydrophobicContact CD1-CD2 3.75Å; L778-L809 HydrophobicContact CG-CD2 4.34Å | ||
| 779 | D | 80.4 | Confident | 82.4 | Confident | 65 Ų | 65 | 41.2 Ų | 41.2 | 35% | 0.348 | 21% | 0.21 | S | C | . | . | trans | -149.1 | 115.5 | -161.3 | 166.2 | -16.9 | 0 | 0 | 0 | 107.6 | E781 K782 T783 L809 | D779-E781 PolarHBondContact OD1-N 2.65Å; D779-K782 HydrophobicContact CB-CB 4.08Å; D779-K782 WeakPolarHBondContact OD1-CB 3.2Å; D779-K782 PolarHBondContact OD1-N 3Å; D779-K782 WeakPolarHBondContact OD2-CB 3.46Å; D779-K782 VanDerWaalsContact OD2-CD 3.27Å; D779-K782 WeakPolarHBondContact OD2-CD 3.31Å; D779-T783 PolarHBondContact O-N 2.77Å; D779-L809 WeakPolarHBondContact O-CD1 3.44Å | ||
| 780 | Y | 83 | Confident | 82.4 | Confident | 40 Ų | 40 | 39.5 Ų | 39.5 | 16% | 0.157 | 20% | 0.203 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -71 | -47.5 | -172.6 | -170.3 | -97.3 | 0 | 0 | 0 | 111.9 | E716 K782 T783 K784 L809 D811 E852 | E716-Y780 WeakPolarHBondContact OE2-CB 3.17Å; E716-Y780 PolarHBondContact OE2-N 2.89Å; Y780-K782 PolarHBondContact O-N 2.99Å; Y780-T783 PolarHBondContact O-N 2.86Å; Y780-K784 HydrophobicContact CD1-CD 4.15Å; Y780-K784 HydrophobicContact CD1-CG 4.09Å; Y780-K784 HydrophobicContact CD2-CB 4.47Å; Y780-K784 HydrophobicContact CD2-CG 4.18Å; Y780-K784 HydrophobicContact CE1-CD 3.63Å; Y780-K784 HydrophobicContact CE1-CG 3.94Å; Y780-K784 HydrophobicContact CE2-CB 4.18Å; Y780-K784 HydrophobicContact CE2-CD 4.39Å; Y780-K784 HydrophobicContact CE2-CG 4.04Å; Y780-K784 HydrophobicContact CG-CG 4.18Å; Y780-K784 WeakPolarHBondContact O-CE 3.42Å; Y780-K784 WeakPolarHBondContact O-CG 3.4Å; Y780-K784 PolarHBondContact O-N 3.04Å; Y780-L809 HydrophobicContact CD2-CB 3.69Å; Y780-L809 HydrophobicContact CE2-CB 4.39Å; Y780-D811 HydrophobicContact CD1-CB 3.72Å; Y780-D811 HydrophobicContact CD2-CB 4.1Å; Y780-D811 HydrophobicContact CE1-CB 3.7Å; Y780-D811 HydrophobicContact CE2-CB 4.1Å; Y780-D811 HydrophobicContact CG-CB 3.94Å; Y780-E852 HydrophobicContact CE1-CB 3.95Å; Y780-E852 WeakPolarHBondContact CE1-OE2 3.17Å; Y780-E852 PolarHBondContact OH-OE2 2.96Å |
| 781 | E | 82.4 | Confident | 82.1 | Confident | 71 Ų | 71 | 39.7 Ų | 39.7 | 33% | 0.332 | 21% | 0.205 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -55.9 | -35.7 | 178 | -83.7 | 32.8 | -100 | 0 | 0 | 111.6 | D779 | D779-E781 PolarHBondContact OD1-N 2.65Š|
| 782 | K | 80.4 | Confident | 81.8 | Confident | 159 Ų | 159 | 39.7 Ų | 39.7 | 69% | 0.691 | 21% | 0.205 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -87.4 | -43.1 | -178.8 | -167.1 | 173 | -173.3 | 170.9 | 0 | 114.6 | D779 Y780 | D779-K782 HydrophobicContact CB-CB 4.08Å; D779-K782 WeakPolarHBondContact OD1-CB 3.2Å; D779-K782 PolarHBondContact OD1-N 3Å; D779-K782 WeakPolarHBondContact OD2-CB 3.46Å; D779-K782 VanDerWaalsContact OD2-CD 3.27Å; D779-K782 WeakPolarHBondContact OD2-CD 3.31Å; Y780-K782 PolarHBondContact O-N 2.99Å |
| 783 | T | 80.5 | Confident | 81.3 | Confident | 21 Ų | 21 | 41 Ų | 41 | 13% | 0.129 | 21% | 0.213 | C | C | . | . | trans | -153.1 | 86.4 | -179.8 | -57.7 | 0 | 0 | 0 | 0 | 113.4 | D779 Y780 S785 Y786 L809 | D779-T783 PolarHBondContact O-N 2.77Å; Y780-T783 PolarHBondContact O-N 2.86Å; T783-S785 VanDerWaalsContact C-N 3.25Å; T783-S785 PolarHBondContact O-N 3.06Å; T783-S785 VanDerWaalsContact O-N 3.07Å; T783-Y786 HydrophobicContact CG2-CD1 4.15Å; T783-Y786 HydrophobicContact CG2-CD2 4.28Å; T783-Y786 HydrophobicContact CG2-CE1 3.69Å; T783-Y786 HydrophobicContact CG2-CE2 3.8Å; T783-Y786 HydrophobicContact CG2-CG 4.44Å; T783-L809 WeakPolarHBondContact O-CD1 3.11Å | ||
| 784 | K | 82.8 | Confident | 80.5 | Confident | 76 Ų | 76 | 38.9 Ų | 38.9 | 33% | 0.33 | 21% | 0.205 | S | C | . | . | S | Bend | trans | -57 | -23.6 | -176.1 | -60.3 | -175.8 | 178.5 | -163.1 | 0 | 116.4 | Y780 L809 E852 | Y780-K784 HydrophobicContact CD1-CD 4.15Å; Y780-K784 HydrophobicContact CD1-CG 4.09Å; Y780-K784 HydrophobicContact CD2-CB 4.47Å; Y780-K784 HydrophobicContact CD2-CG 4.18Å; Y780-K784 HydrophobicContact CE1-CD 3.63Å; Y780-K784 HydrophobicContact CE1-CG 3.94Å; Y780-K784 HydrophobicContact CE2-CB 4.18Å; Y780-K784 HydrophobicContact CE2-CD 4.39Å; Y780-K784 HydrophobicContact CE2-CG 4.04Å; Y780-K784 HydrophobicContact CG-CG 4.18Å; Y780-K784 WeakPolarHBondContact O-CE 3.42Å; Y780-K784 WeakPolarHBondContact O-CG 3.4Å; Y780-K784 PolarHBondContact O-N 3.04Å; K784-L809 PolarHBondContact O-N 2.9Å; K784-E852 IonicContact NZ-OE1 2.9Å; K784-E852 IonicContact NZ-OE2 2.66Å; K784-E852 PolarHBondContact NZ-OE2 2.68Å |
| 785 | S | 83.4 | Confident | 80 | Confident | 43 Ų | 43 | 43.9 Ų | 43.9 | 30% | 0.301 | 23% | 0.231 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -162.5 | 153.8 | 178.4 | 62.6 | 0 | 0 | 0 | 0 | 114.2 | D750 T783 V807 | D750-S785 WeakPolarHBondContact CB-O 3.41Å; T783-S785 VanDerWaalsContact C-N 3.25Å; T783-S785 PolarHBondContact O-N 3.06Å; T783-S785 VanDerWaalsContact O-N 3.07Å; S785-V807 CarbonylContact C-O 3.59Å; S785-V807 WeakPolarHBondContact CA-O 3.45Å; S785-V807 WeakPolarHBondContact CB-O 3.42Å |
| 786 | Y | 87.6 | Confident | 79.4 | Confident | 10 Ų | 10 | 49.2 Ų | 49.2 | 4% | 0.039 | 25% | 0.247 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.6 | 143.7 | -179.9 | -57.1 | -103.5 | 0 | 0 | 0 | 111.9 | P749 D750 D756 F757 L778 T783 R806 V807 L809 | P749-Y786 VanDerWaalsContact O-CD1 3.28Å; P749-Y786 WeakPolarHBondContact O-CD1 3.44Å; P749-Y786 WeakPolarHBondContact O-CE1 3.02Å; D750-Y786 CarbonylContact O-C 3.59Å; D750-Y786 WeakPolarHBondContact O-CA 3.25Å; D756-Y786 HydrophobicContact CB-CE1 4.42Å; D756-Y786 PolarHBondContact OD2-OH 3.11Å; F757-Y786 HydrophobicContact CD2-CD1 4.28Å; F757-Y786 HydrophobicContact CD2-CG 4.35Å; F757-Y786 AromaticContact CE2-CD1 3.77Å; F757-Y786 HydrophobicContact CE2-CD1 3.77Å; F757-Y786 AromaticContact CE2-CD2 3.59Å; F757-Y786 HydrophobicContact CE2-CD2 3.59Å; F757-Y786 AromaticContact CE2-CE1 3.95Å; F757-Y786 HydrophobicContact CE2-CE1 3.95Å; F757-Y786 AromaticContact CE2-CE2 3.81Å; F757-Y786 HydrophobicContact CE2-CE2 3.81Å; F757-Y786 AromaticContact CE2-CG 3.57Å; F757-Y786 HydrophobicContact CE2-CG 3.57Å; F757-Y786 AromaticContact CE2-CZ 3.97Å; F757-Y786 AromaticContact CZ-CD2 3.99Å; F757-Y786 HydrophobicContact CZ-CD2 3.99Å; F757-Y786 HydrophobicContact CZ-CE2 4.21Å; F757-Y786 HydrophobicContact CZ-CG 4.34Å; L778-Y786 HydrophobicContact CD2-CE2 4.25Å; T783-Y786 HydrophobicContact CG2-CD1 4.15Å; T783-Y786 HydrophobicContact CG2-CD2 4.28Å; T783-Y786 HydrophobicContact CG2-CE1 3.69Å; T783-Y786 HydrophobicContact CG2-CE2 3.8Å; T783-Y786 HydrophobicContact CG2-CG 4.44Å; Y786-R806 CarbonylContact O-C 3.2Å; Y786-R806 VanDerWaalsContact O-CA 3.29Å; Y786-R806 WeakPolarHBondContact O-CA 3.41Å; Y786-V807 PolarHBondContact N-O 3.43Å; Y786-V807 PolarHBondContact O-N 2.87Å; Y786-L809 HydrophobicContact CE2-CD1 4.42Å |
| 787 | D | 81.6 | Confident | 78.9 | Confident | 46 Ų | 46 | 46.8 Ų | 46.8 | 25% | 0.246 | 24% | 0.238 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.2 | 91.5 | 171.9 | -90.8 | -17.5 | 0 | 0 | 0 | 110.9 | D750 V804 R806 | D750-D787 PolarHBondContact O-N 3.46Å; D787-V804 HydrophobicContact CB-CG1 4Å; D787-R806 VanDerWaalsContact OD1-CB 3.28Å; D787-R806 WeakPolarHBondContact OD1-CB 3.44Å; D787-R806 WeakPolarHBondContact OD1-CG 3.46Å; D787-R806 IonicContact OD1-CZ 2.68Å; D787-R806 IonicContact OD1-NE 3.31Å; D787-R806 PolarHBondContact OD1-NE 3.25Å; D787-R806 IonicContact OD1-NH2 3.17Å; D787-R806 PolarHBondContact OD1-NH2 2.94Å; D787-R806 IonicContact OD2-CZ 2.8Å; D787-R806 IonicContact OD2-NE 3.6Å; D787-R806 IonicContact OD2-NH2 3.62Å; D787-R806 PolarHBondContact OD2-NH2 3.43Å |
| 788 | L | 86.3 | Confident | 78.5 | Confident | 0 Ų | 0 | 46.9 Ų | 46.9 | 0% | 0 | 24% | 0.24 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -83 | 118.6 | -174 | -52.5 | -178 | 0 | 0 | 0 | 111.1 | F725 M743 N752 F757 V772 V804 V805 V807 | F725-L788 HydrophobicContact CE1-CD1 4.3Å; F725-L788 HydrophobicContact CZ-CD1 4.46Å; M743-L788 HydrophobicContact CE-CB 4.36Å; M743-L788 HydrophobicContact CE-CD1 4.32Å; M743-L788 HydrophobicContact SD-CB 4.18Å; M743-L788 HydrophobicContact SD-CD2 4.26Å; N752-L788 HydrophobicContact CB-CD2 3.77Å; F757-L788 HydrophobicContact CB-CD1 3.81Å; F757-L788 HydrophobicContact CB-CD2 4.11Å; F757-L788 HydrophobicContact CD1-CD1 3.81Å; F757-L788 HydrophobicContact CD2-CD1 4.07Å; F757-L788 HydrophobicContact CD2-CD2 3.73Å; F757-L788 HydrophobicContact CE1-CD1 4.42Å; F757-L788 HydrophobicContact CE2-CD2 4.44Å; F757-L788 HydrophobicContact CG-CD1 3.61Å; F757-L788 HydrophobicContact CG-CD2 4.01Å; F757-L788 HydrophobicContact CG-CG 4.47Å; V772-L788 HydrophobicContact CG1-CD1 3.99Å; L788-V804 CarbonylContact O-C 2.97Å; L788-V804 VanDerWaalsContact O-CA 3.32Å; L788-V804 WeakPolarHBondContact O-CA 3.44Å; L788-V805 PolarHBondContact N-O 2.97Å; L788-V805 PolarHBondContact O-N 3Å; L788-V807 HydrophobicContact CD1-CG2 3.8Å; L788-V807 HydrophobicContact CG-CG2 4.32Å |
| 789 | T | 82.8 | Confident | 77.8 | Confident | 34 Ų | 34 | 47.4 Ų | 47.4 | 21% | 0.209 | 24% | 0.242 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -100.2 | 123.1 | 180 | -62.1 | 0 | 0 | 0 | 0 | 111.3 | M743 R744 D802 V804 | M743-T789 CarbonylContact C-O 3.55Å; M743-T789 WeakPolarHBondContact CA-O 3.46Å; M743-T789 WeakPolarHBondContact CG-O 3.4Å; R744-T789 PolarHBondContact N-O 2.92Å; T789-D802 HydrophobicContact CG2-CB 4.37Å; T789-V804 HydrophobicContact CG2-CG2 4.47Å |
| 790 | I | 85.7 | Confident | 77.6 | Confident | 2 Ų | 2 | 46.9 Ų | 46.9 | 1% | 0.01 | 24% | 0.244 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.3 | 128.1 | -178.7 | -45.6 | 178.3 | 0 | 0 | 0 | 110.1 | W702 F725 S742 M743 V772 D802 K803 | W702-I790 HydrophobicContact CH2-CB 4.17Å; W702-I790 HydrophobicContact CH2-CG2 3.8Å; W702-I790 HydrophobicContact CZ2-CB 4.32Å; W702-I790 HydrophobicContact CZ2-CG2 4.25Å; W702-I790 WeakPolarHBondContact CZ2-O 3.25Å; F725-I790 HydrophobicContact CE2-CD1 3.61Å; F725-I790 HydrophobicContact CZ-CD1 3.94Å; S742-I790 CarbonylContact O-C 3.52Å; S742-I790 WeakPolarHBondContact O-CA 3.49Å; S742-I790 WeakPolarHBondContact O-CG2 3.32Å; M743-I790 HydrophobicContact CE-CD1 4.15Å; M743-I790 HydrophobicContact CE-CG1 4.14Å; M743-I790 HydrophobicContact CG-CG1 4.38Å; V772-I790 HydrophobicContact CG2-CD1 3.64Å; I790-D802 CarbonylContact O-C 3.56Å; I790-D802 VanDerWaalsContact O-CA 3.28Å; I790-D802 WeakPolarHBondContact O-CA 3.14Å; I790-K803 PolarHBondContact N-O 2.93Å; I790-K803 PolarHBondContact O-N 3.19Å |
| 791 | S | 81.6 | Confident | 77.3 | Confident | 5 Ų | 5 | 50.9 Ų | 50.9 | 4% | 0.035 | 26% | 0.259 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.9 | 135.8 | 171.6 | -61.3 | 0 | 0 | 0 | 0 | 110.7 | Y741 S742 R744 D802 | Y741-S791 CarbonylContact C-O 3.48Å; Y741-S791 VanDerWaalsContact CA-O 3.24Å; Y741-S791 WeakPolarHBondContact CA-O 3.16Å; S742-S791 PolarHBondContact N-O 2.94Å; S742-S791 PolarHBondContact O-N 3.08Å; R744-S791 PolarHBondContact NH2-OG 2.96Å; S791-D802 WeakPolarHBondContact CA-OD1 3.24Å; S791-D802 WeakPolarHBondContact CB-OD1 3.3Å; S791-D802 PolarHBondContact OG-OD1 2.83Å |
| 792 | A | 79.8 | Confident | 77.3 | Confident | 0 Ų | 0 | 50.7 Ų | 50.7 | 0% | 0 | 26% | 0.26 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.8 | 126.4 | 167.4 | 0 | 0 | 0 | 0 | 0 | 110.1 | P700 W702 A729 I739 Y740 Y741 S800 R801 | P700-A792 HydrophobicContact CB-CB 4.15Å; P700-A792 WeakPolarHBondContact CG-O 3.34Å; W702-A792 HydrophobicContact CD2-CB 4.29Å; W702-A792 HydrophobicContact CH2-CB 3.83Å; W702-A792 HydrophobicContact CZ2-CB 3.42Å; W702-A792 VanDerWaalsContact CZ2-CB 3.42Å; W702-A792 HydrophobicContact CZ3-CB 4.38Å; A729-A792 HydrophobicContact CB-CB 3.88Å; I739-A792 HydrophobicContact CG2-CB 3.98Å; Y740-A792 CarbonylContact O-C 3.28Å; Y740-A792 WeakPolarHBondContact O-CA 3.43Å; Y741-A792 HydrophobicContact CD1-CB 3.59Å; Y741-A792 HydrophobicContact CE1-CB 3.64Å; A792-S800 CarbonylContact O-C 3.51Å; A792-S800 VanDerWaalsContact O-CA 3.23Å; A792-S800 WeakPolarHBondContact O-CA 3.48Å; A792-R801 PolarHBondContact N-O 2.94Å; A792-R801 PolarHBondContact O-N 3.42Å |
| 793 | T | 77.3 | Confident | 77.3 | Confident | 28 Ų | 28 | 44.4 Ų | 44.4 | 17% | 0.172 | 23% | 0.233 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.4 | 126.4 | -173 | -53.9 | 0 | 0 | 0 | 0 | 111.6 | I739 Y740 L795 L799 S800 | I739-T793 CarbonylContact C-O 3.33Å; I739-T793 WeakPolarHBondContact CA-O 3.49Å; Y740-T793 PolarHBondContact N-O 2.86Å; Y740-T793 PolarHBondContact O-N 2.79Å; T793-L795 PolarHBondContact O-N 2.97Å; T793-L799 WeakPolarHBondContact CA-O 3.49Å; T793-S800 VanDerWaalsContact OG1-CB 3.25Å; T793-S800 WeakPolarHBondContact OG1-CB 3.34Å |
| 794 | D | 69.2 | Low | 77.6 | Confident | 0 Ų | 0 | 46.9 Ų | 46.9 | 0% | 0 | 25% | 0.247 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -76.3 | 110.3 | 171.1 | 173.7 | -11.6 | 0 | 0 | 0 | 109.7 | P700 S731 N737 I739 R796 N797 G798 L799 | P700-D794 HydrophobicContact CG-CB 3.96Å; S731-D794 WeakPolarHBondContact CB-OD2 3.36Å; S731-D794 PolarHBondContact OG-OD2 3.3Å; N737-D794 PolarHBondContact ND2-OD1 3.07Å; N737-D794 PolarHBondContact ND2-OD2 2.97Å; I739-D794 HydrophobicContact CD1-CB 3.67Å; D794-R796 PolarHBondContact O-N 2.86Å; D794-R796 WeakPolarHBondContact OD1-CB 3.25Å; D794-R796 PolarHBondContact OD1-N 2.81Å; D794-N797 WeakPolarHBondContact CB-OD1 3.47Å; D794-N797 VanDerWaalsContact CG-ND2 3.34Å; D794-N797 PolarHBondContact O-N 3.36Å; D794-N797 PolarHBondContact O-OD1 2.94Å; D794-N797 PolarHBondContact OD2-ND2 2.88Å; D794-G798 WeakPolarHBondContact O-CA 3.38Å; D794-G798 PolarHBondContact O-N 2.83Å; D794-L799 PolarHBondContact N-O 2.92Å |
| 795 | L | 70.9 | Confident | 77.6 | Confident | 105 Ų | 105 | 43.2 Ų | 43.2 | 55% | 0.55 | 23% | 0.231 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -63.1 | -11.9 | -175.5 | -74.3 | 167.8 | 0 | 0 | 0 | 114.2 | P738 Y740 T793 | P738-L795 HydrophobicContact CB-CD1 4.26Å; P738-L795 HydrophobicContact CG-CB 4.28Å; P738-L795 HydrophobicContact CG-CD1 4.25Å; P738-L795 PolarHBondContact O-N 3.48Å; P738-L795 VanDerWaalsContact O-N 3.15Å; Y740-L795 HydrophobicContact CG-CD2 4.49Å; T793-L795 PolarHBondContact O-N 2.97Å |
| 796 | R | 63 | Low | 77.8 | Confident | 171 Ų | 171 | 46 Ų | 46 | 65% | 0.645 | 24% | 0.235 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -96.9 | -13.6 | 178.9 | -97.5 | 174.4 | 170.1 | 178.4 | 1.1 | 114.6 | N737 D794 | N737-R796 VanDerWaalsContact CG-CD 3.48Å; N737-R796 WeakPolarHBondContact OD1-CD 3.47Å; N737-R796 PolarHBondContact OD1-NH1 3.27Å; D794-R796 PolarHBondContact O-N 2.86Å; D794-R796 WeakPolarHBondContact OD1-CB 3.25Å; D794-R796 PolarHBondContact OD1-N 2.81Å |
| 797 | N | 61.6 | Low | 77.8 | Confident | 41 Ų | 41 | 45.5 Ų | 45.5 | 22% | 0.219 | 23% | 0.233 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -133.8 | -3.7 | 176.5 | 61.3 | 37.5 | 0 | 0 | 0 | 114.3 | D794 L799 | D794-N797 WeakPolarHBondContact CB-OD1 3.47Å; D794-N797 VanDerWaalsContact CG-ND2 3.34Å; D794-N797 PolarHBondContact O-N 3.36Å; D794-N797 PolarHBondContact O-OD1 2.94Å; D794-N797 PolarHBondContact OD2-ND2 2.88Å; N797-L799 HydrophobicContact CB-CG 4.43Å; N797-L799 PolarHBondContact O-N 2.81Å; N797-L799 VanDerWaalsContact OD1-CB 3.23Å; N797-L799 WeakPolarHBondContact OD1-CB 3.31Å; N797-L799 WeakPolarHBondContact OD1-CG 3.46Å; N797-L799 PolarHBondContact OD1-N 2.96Å |
| 798 | G | 65.9 | Low | 77.8 | Confident | 52 Ų | 52 | 48.7 Ų | 48.7 | 54% | 0.536 | 24% | 0.242 | S | C | . | . | trans | 74.4 | -0.7 | 178.2 | 0 | 0 | 0 | 0 | 0 | 114.8 | D794 S800 | D794-G798 WeakPolarHBondContact O-CA 3.38Å; D794-G798 PolarHBondContact O-N 2.83Å; G798-S800 PolarHBondContact O-N 2.87Å | ||
| 799 | L | 68.5 | Low | 77.8 | Confident | 27 Ų | 27 | 49.1 Ų | 49.1 | 14% | 0.141 | 24% | 0.244 | C | C | . | . | trans | -74.8 | 121.1 | -176.8 | -61.3 | 178.1 | 0 | 0 | 0 | 110.4 | Q697 Y699 P700 T793 D794 N797 | Q697-L799 HydrophobicContact CB-CD1 4.15Å; Y699-L799 HydrophobicContact CD1-CB 3.79Å; Y699-L799 HydrophobicContact CD1-CD1 4.5Å; Y699-L799 HydrophobicContact CD1-CD2 4.35Å; Y699-L799 HydrophobicContact CD1-CG 4.44Å; Y699-L799 HydrophobicContact CE1-CB 4.16Å; Y699-L799 HydrophobicContact CE1-CD2 3.88Å; Y699-L799 HydrophobicContact CE1-CG 4.45Å; Y699-L799 HydrophobicContact CG-CB 4.39Å; P700-L799 WeakPolarHBondContact CD-O 3.22Å; P700-L799 VanDerWaalsContact CG-O 3.31Å; P700-L799 WeakPolarHBondContact CG-O 3.13Å; T793-L799 WeakPolarHBondContact CA-O 3.49Å; D794-L799 PolarHBondContact N-O 2.92Å; N797-L799 HydrophobicContact CB-CG 4.43Å; N797-L799 PolarHBondContact O-N 2.81Å; N797-L799 VanDerWaalsContact OD1-CB 3.23Å; N797-L799 WeakPolarHBondContact OD1-CB 3.31Å; N797-L799 WeakPolarHBondContact OD1-CG 3.46Å; N797-L799 PolarHBondContact OD1-N 2.96Å | ||
| 800 | S | 74.5 | Confident | 77.6 | Confident | 54 Ų | 54 | 52.2 Ų | 52.2 | 38% | 0.378 | 25% | 0.252 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.4 | 157.6 | 179.7 | 63.1 | 0 | 0 | 0 | 0 | 112.9 | Y699 A792 T793 G798 | Y699-S800 WeakPolarHBondContact CD1-O 3.23Å; A792-S800 CarbonylContact O-C 3.51Å; A792-S800 VanDerWaalsContact O-CA 3.23Å; A792-S800 WeakPolarHBondContact O-CA 3.48Å; T793-S800 VanDerWaalsContact OG1-CB 3.25Å; T793-S800 WeakPolarHBondContact OG1-CB 3.34Å; G798-S800 PolarHBondContact O-N 2.87Å |
| 801 | R | 78.2 | Confident | 77.4 | Confident | 124 Ų | 124 | 52.3 Ų | 52.3 | 47% | 0.468 | 25% | 0.253 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -152.6 | 130.7 | 175.5 | -171.1 | 179.8 | -171.6 | 156.6 | 5.2 | 113.1 | P700 W702 A792 | P700-R801 WeakPolarHBondContact O-CD 3.47Å; W702-R801 PolarHBondContact NE1-O 3.11Å; A792-R801 PolarHBondContact N-O 2.94Å; A792-R801 PolarHBondContact O-N 3.42Å |
| 802 | D | 81.3 | Confident | 77.4 | Confident | 66 Ų | 66 | 53.3 Ų | 53.3 | 35% | 0.353 | 26% | 0.256 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -89 | 155.1 | -174.7 | -55.2 | -23.3 | 0 | 0 | 0 | 113.8 | R744 T789 I790 S791 | R744-D802 IonicContact CZ-OD1 3.89Å; R744-D802 IonicContact CZ-OD2 3.69Å; R744-D802 IonicContact NH1-OD1 2.96Å; R744-D802 IonicContact NH1-OD2 3.6Å; R744-D802 PolarHBondContact NH1-OD2 2.78Å; R744-D802 IonicContact NH2-OD1 3.21Å; R744-D802 PolarHBondContact NH2-OD1 2.82Å; R744-D802 IonicContact NH2-OD2 2.83Å; R744-D802 PolarHBondContact NH2-OD2 2.88Å; T789-D802 HydrophobicContact CG2-CB 4.37Å; I790-D802 CarbonylContact O-C 3.56Å; I790-D802 VanDerWaalsContact O-CA 3.28Å; I790-D802 WeakPolarHBondContact O-CA 3.14Å; S791-D802 WeakPolarHBondContact CA-OD1 3.24Å; S791-D802 WeakPolarHBondContact CB-OD1 3.3Å; S791-D802 PolarHBondContact OG-OD1 2.83Å |
| 803 | K | 81.6 | Confident | 77.3 | Confident | 28 Ų | 28 | 53.3 Ų | 53.3 | 12% | 0.122 | 26% | 0.256 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -142.2 | 133.6 | 166.1 | -178.4 | -169.4 | 173.7 | -159.1 | 0 | 108.8 | W702 C708 P709 N710 I790 V805 | W702-K803 HydrophobicContact CD2-CB 4.1Å; W702-K803 HydrophobicContact CD2-CD 4.43Å; W702-K803 HydrophobicContact CG-CB 4.24Å; W702-K803 HydrophobicContact CZ2-CB 4.07Å; C708-K803 PolarHBondContact O-NZ 3.14Å; C708-K803 PolarHBondContact SG-NZ 3.39Å; P709-K803 PolarHBondContact O-NZ 2.92Å; N710-K803 WeakPolarHBondContact OD1-CE 3.3Å; I790-K803 PolarHBondContact N-O 2.93Å; I790-K803 PolarHBondContact O-N 3.19Å; K803-V805 HydrophobicContact CD-CG2 4.17Å; K803-V805 HydrophobicContact CG-CG2 4.45Å |
| 804 | V | 85.1 | Confident | 77.1 | Confident | 72 Ų | 72 | 55.3 Ų | 55.3 | 44% | 0.436 | 27% | 0.266 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.1 | 142.4 | 170.4 | -168.8 | 0 | 0 | 0 | 0 | 110 | D787 L788 T789 | D787-V804 HydrophobicContact CB-CG1 4Å; L788-V804 CarbonylContact O-C 2.97Å; L788-V804 VanDerWaalsContact O-CA 3.32Å; L788-V804 WeakPolarHBondContact O-CA 3.44Å; T789-V804 HydrophobicContact CG2-CG2 4.47Å |
| 805 | V | 84.4 | Confident | 77.7 | Confident | 0 Ų | 0 | 57.6 Ų | 57.6 | 0% | 0 | 28% | 0.278 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.1 | 124.6 | 172.1 | -177.3 | 0 | 0 | 0 | 0 | 109.4 | P709 N710 V712 F725 L788 K803 | P709-V805 WeakPolarHBondContact O-CG2 3.43Å; N710-V805 WeakPolarHBondContact O-CA 2.88Å; V712-V805 HydrophobicContact CG2-CG1 4.43Å; F725-V805 HydrophobicContact CD1-CG1 3.89Å; F725-V805 HydrophobicContact CD2-CG2 4.47Å; F725-V805 HydrophobicContact CE1-CB 3.91Å; F725-V805 HydrophobicContact CE1-CG1 3.5Å; F725-V805 HydrophobicContact CE1-CG2 4.46Å; F725-V805 HydrophobicContact CE2-CB 4.12Å; F725-V805 HydrophobicContact CE2-CG1 4.25Å; F725-V805 HydrophobicContact CE2-CG2 3.8Å; F725-V805 HydrophobicContact CG-CG1 4.44Å; F725-V805 HydrophobicContact CZ-CB 3.58Å; F725-V805 HydrophobicContact CZ-CG1 3.7Å; F725-V805 HydrophobicContact CZ-CG2 3.81Å; L788-V805 PolarHBondContact N-O 2.97Å; L788-V805 PolarHBondContact O-N 3Å; K803-V805 HydrophobicContact CD-CG2 4.17Å; K803-V805 HydrophobicContact CG-CG2 4.45Å |
| 806 | R | 86.2 | Confident | 78.1 | Confident | 100 Ų | 100 | 55.7 Ų | 55.7 | 38% | 0.377 | 27% | 0.271 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.9 | 128.4 | -179.9 | -174.2 | 165.2 | -71.3 | -167.5 | -7.4 | 111.5 | N710 E711 V712 Y786 D787 R808 | N710-R806 PolarHBondContact O-N 2.69Å; E711-R806 CarbonylContact C-O 3.58Å; E711-R806 WeakPolarHBondContact CA-O 3.34Å; E711-R806 HydrophobicContact CG-CB 4.39Å; V712-R806 PolarHBondContact N-O 3.19Å; Y786-R806 CarbonylContact O-C 3.2Å; Y786-R806 VanDerWaalsContact O-CA 3.29Å; Y786-R806 WeakPolarHBondContact O-CA 3.41Å; D787-R806 VanDerWaalsContact OD1-CB 3.28Å; D787-R806 WeakPolarHBondContact OD1-CB 3.44Å; D787-R806 WeakPolarHBondContact OD1-CG 3.46Å; D787-R806 IonicContact OD1-CZ 2.68Å; D787-R806 IonicContact OD1-NE 3.31Å; D787-R806 PolarHBondContact OD1-NE 3.25Å; D787-R806 IonicContact OD1-NH2 3.17Å; D787-R806 PolarHBondContact OD1-NH2 2.94Å; D787-R806 IonicContact OD2-CZ 2.8Å; D787-R806 IonicContact OD2-NE 3.6Å; D787-R806 IonicContact OD2-NH2 3.62Å; D787-R806 PolarHBondContact OD2-NH2 3.43Å; R806-R808 HydrophobicContact CG-CG 4.5Å |
| 807 | V | 87.5 | Confident | 78.9 | Confident | 0 Ų | 0 | 47.5 Ų | 47.5 | 0% | 0 | 24% | 0.24 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.3 | 133.1 | 169.1 | -178.3 | 0 | 0 | 0 | 0 | 108.4 | V712 V714 F724 F757 S785 Y786 L788 | V712-V807 CarbonylContact O-C 3.3Å; V712-V807 WeakPolarHBondContact O-CA 3.4Å; V714-V807 HydrophobicContact CG2-CG1 4.4Å; F724-V807 HydrophobicContact CD1-CG1 3.79Å; F724-V807 HydrophobicContact CD1-CG2 4.08Å; F724-V807 HydrophobicContact CE1-CG1 3.59Å; F757-V807 HydrophobicContact CE1-CG1 4.26Å; F757-V807 HydrophobicContact CE1-CG2 4.26Å; F757-V807 HydrophobicContact CZ-CB 4.36Å; F757-V807 HydrophobicContact CZ-CG1 4.02Å; F757-V807 HydrophobicContact CZ-CG2 4.42Å; S785-V807 CarbonylContact C-O 3.59Å; S785-V807 WeakPolarHBondContact CA-O 3.45Å; S785-V807 WeakPolarHBondContact CB-O 3.42Å; Y786-V807 PolarHBondContact N-O 3.43Å; Y786-V807 PolarHBondContact O-N 2.87Å; L788-V807 HydrophobicContact CD1-CG2 3.8Å; L788-V807 HydrophobicContact CG-CG2 4.32Å |
| 808 | R | 82.7 | Confident | 79.8 | Confident | 113 Ų | 113 | 51.8 Ų | 51.8 | 43% | 0.426 | 26% | 0.257 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.4 | 137 | 171.1 | -75.5 | 178 | 160.3 | 155 | -11.5 | 110 | E711 V712 V713 V714 R806 | E711-R808 WeakPolarHBondContact OE1-CD 3.03Å; E711-R808 IonicContact OE1-CZ 2.75Å; E711-R808 IonicContact OE1-NE 2.67Å; E711-R808 IonicContact OE1-NH1 3.26Å; E711-R808 PolarHBondContact OE1-NH1 2.62Å; V712-R808 PolarHBondContact O-N 3.08Å; V713-R808 WeakPolarHBondContact CA-O 3.49Å; V713-R808 HydrophobicContact CG1-CB 4.44Å; V713-R808 HydrophobicContact CG2-CB 4.32Å; V714-R808 PolarHBondContact N-O 2.89Å; R806-R808 HydrophobicContact CG-CG 4.5Å |
| 809 | L | 85.9 | Confident | 80.6 | Confident | 9 Ų | 9 | 49.7 Ų | 49.7 | 5% | 0.047 | 23% | 0.232 | C | C | . | . | trans | -86.8 | 173.8 | 173.5 | -56 | -169.5 | 0 | 0 | 0 | 111 | V714 L778 D779 Y780 T783 K784 Y786 | V714-L809 HydrophobicContact CG2-CD2 3.74Å; V714-L809 CarbonylContact O-C 3.28Å; L778-L809 HydrophobicContact CB-CD1 3.9Å; L778-L809 HydrophobicContact CB-CD2 3.86Å; L778-L809 HydrophobicContact CD1-CD2 3.75Å; L778-L809 HydrophobicContact CG-CD2 4.34Å; D779-L809 WeakPolarHBondContact O-CD1 3.44Å; Y780-L809 HydrophobicContact CD2-CB 3.69Å; Y780-L809 HydrophobicContact CE2-CB 4.39Å; T783-L809 WeakPolarHBondContact O-CD1 3.11Å; K784-L809 PolarHBondContact O-N 2.9Å; Y786-L809 HydrophobicContact CE2-CD1 4.42Å | ||
| 810 | R | 78.4 | Confident | 80.9 | Confident | 100 Ų | 100 | 52.4 Ų | 52.4 | 38% | 0.377 | 25% | 0.25 | S | S | . | . | trans | -147.9 | 91.5 | 175.8 | -170.5 | -157.2 | -49.3 | 131.4 | 28.3 | 111.9 | V714 D715 | V714-R810 VanDerWaalsContact O-CB 3.3Å; V714-R810 WeakPolarHBondContact O-CB 3.5Å; V714-R810 PolarHBondContact O-N 2.91Å; V714-R810 VanDerWaalsContact O-N 3.11Å; D715-R810 VanDerWaalsContact CG-NH1 3.26Å; D715-R810 IonicContact OD1-CZ 3.75Å; D715-R810 IonicContact OD1-NE 3.49Å; D715-R810 IonicContact OD1-NH1 3.27Å; D715-R810 PolarHBondContact OD1-NH1 2.86Å; D715-R810 IonicContact OD1-NH2 2.82Å; D715-R810 PolarHBondContact OD1-NH2 2.75Å; D715-R810 IonicContact OD2-NH1 2.79Å; D715-R810 PolarHBondContact OD2-NH1 3.37Å | ||
| 811 | D | 81.6 | Confident | 80.7 | Confident | 4 Ų | 4 | 54.2 Ų | 54.2 | 2% | 0.021 | 26% | 0.255 | C | S | . | . | trans | 9.6 | 117.3 | 143.6 | -179.2 | 86.6 | 0 | 0 | 0 | 116.2 | E716 Y780 E852 R853 | E716-D811 VanDerWaalsContact OE1-C 3.24Å; E716-D811 WeakPolarHBondContact OE1-CA 3.44Å; E716-D811 PolarHBondContact OE1-N 3.14Å; E716-D811 VanDerWaalsContact OE1-N 3.11Å; Y780-D811 HydrophobicContact CD1-CB 3.72Å; Y780-D811 HydrophobicContact CD2-CB 4.1Å; Y780-D811 HydrophobicContact CE1-CB 3.7Å; Y780-D811 HydrophobicContact CE2-CB 4.1Å; Y780-D811 HydrophobicContact CG-CB 3.94Å; D811-E852 PolarHBondContact OD1-N 2.85Å; D811-R853 PolarHBondContact O-NH2 3.27Å; D811-R853 WeakPolarHBondContact OD2-CB 3.5Å; D811-R853 WeakPolarHBondContact OD2-CD 3.25Å; D811-R853 WeakPolarHBondContact OD2-CG 3.4Å; D811-R853 IonicContact OD2-CZ 2.8Å; D811-R853 IonicContact OD2-NE 2.77Å; D811-R853 PolarHBondContact OD2-NE 2.81Å | ||
| 812 | K | 81.6 | Confident | 79.8 | Confident | 25 Ų | 25 | 54.9 Ų | 54.9 | 11% | 0.109 | 27% | 0.268 | C | S | . | . | trans | -113.5 | 172.6 | 173.7 | -70.5 | -72.5 | 163.7 | 78.4 | 0 | 111.6 | D715 E716 D717 D814 D851 F856 D908 | D715-K812 WeakPolarHBondContact OD2-CE 3.4Å; D715-K812 IonicContact OD2-NZ 3.81Å; D715-K812 PolarHBondContact OD2-NZ 3.06Å; E716-K812 HydrophobicContact CG-CG 4.3Å; E716-K812 PolarHBondContact OE1-N 2.85Å; D717-K812 IonicContact OD1-NZ 3.44Å; D717-K812 PolarHBondContact OD1-NZ 2.83Å; D717-K812 IonicContact OD2-NZ 2.66Å; D717-K812 PolarHBondContact OD2-NZ 2.72Å; K812-D814 PolarHBondContact O-N 3.05Å; K812-D851 VanDerWaalsContact O-CG 3.23Å; K812-F856 VanDerWaalsContact C-CE2 3.48Å; K812-F856 WeakPolarHBondContact O-CD2 3.4Å; K812-D908 HydrophobicContact CB-CB 4.29Å; K812-D908 WeakPolarHBondContact CD-OD2 3.3Å | ||
| 813 | N | 78.7 | Confident | 79 | Confident | 0 Ų | 0 | 57 Ų | 57 | 0% | 0 | 27% | 0.274 | C | S | . | . | S | Bend | trans | -95.7 | 59 | 177.2 | -166.2 | 67.4 | 0 | 0 | 0 | 111.1 | D851 F856 D903 A905 P906 S907 D908 N916 | N813-D851 VanDerWaalsContact CA-OD2 3.26Å; N813-D851 WeakPolarHBondContact CA-OD2 3.37Å; N813-F856 HydrophobicContact CB-CD1 3.65Å; N813-F856 HydrophobicContact CB-CD2 3.93Å; N813-F856 HydrophobicContact CB-CE1 3.71Å; N813-F856 HydrophobicContact CB-CE2 3.98Å; N813-F856 HydrophobicContact CB-CG 3.79Å; N813-F856 HydrophobicContact CB-CZ 3.87Å; N813-F856 WeakPolarHBondContact OD1-CA 3.27Å; N813-F856 WeakPolarHBondContact OD1-CB 3.4Å; N813-F856 WeakPolarHBondContact OD1-CD1 3.41Å; N813-F856 WeakPolarHBondContact OD1-CG 3.48Å; N813-D903 PolarHBondContact ND2-OD2 2.86Å; N813-A905 WeakPolarHBondContact ND2-CB 3.43Å; N813-A905 WeakPolarHBondContact OD1-CB 3.39Å; N813-P906 VanDerWaalsContact ND2-C 3.31Å; N813-P906 PolarHBondContact ND2-O 2.67Å; N813-S907 WeakPolarHBondContact ND2-CA 3.18Å; N813-S907 PolarHBondContact ND2-N 2.77Å; N813-D908 HydrophobicContact CB-CB 4.48Å; N813-D908 PolarHBondContact N-OD2 3.35Å; N813-D908 PolarHBondContact O-N 2.96Å; N813-N916 PolarHBondContact ND2-ND2 3.29Å; N813-N916 VanDerWaalsContact ND2-ND2 3.15Å; N813-N916 PolarHBondContact O-ND2 2.89Å |
| 814 | D | 73.4 | Confident | 78.8 | Confident | 70 Ų | 70 | 56.4 Ų | 56.4 | 37% | 0.374 | 27% | 0.272 | S | S | . | . | trans | -110.5 | -10.1 | -172.7 | 81.5 | -13.8 | 0 | 0 | 0 | 115.4 | K812 D851 L909 | K812-D814 PolarHBondContact O-N 3.05Å; D814-D851 PolarHBondContact N-OD2 2.84Å; D814-L909 HydrophobicContact CB-CD2 4.11Å; D814-L909 HydrophobicContact CB-CG 4.36Å; D814-L909 WeakPolarHBondContact O-CD2 3.46Å | ||
| 815 | N | 80 | Confident | 78.4 | Confident | 48 Ų | 48 | 56.6 Ų | 56.6 | 26% | 0.257 | 27% | 0.273 | S | S | . | . | S | Bend | trans | -79.6 | 172.3 | 162.5 | -69.5 | -97.5 | 0 | 0 | 0 | 111.2 | D849 N850 D851 N916 | N815-D849 WeakPolarHBondContact CB-OD1 3.38Å; N815-N850 HydrophobicContact CB-CB 4.12Å; N815-D851 WeakPolarHBondContact CB-OD1 3.48Å; N815-D851 PolarHBondContact N-OD1 2.87Å; N815-D851 PolarHBondContact N-OD2 2.74Å; N815-D851 PolarHBondContact ND2-OD1 2.79Å; N815-N916 PolarHBondContact O-ND2 2.96Å |
| 816 | V | 79.4 | Confident | 78.2 | Confident | 65 Ų | 65 | 56.9 Ų | 56.9 | 39% | 0.394 | 28% | 0.276 | S | S | . | . | trans | -132.2 | 148.4 | -178.2 | -54.4 | 0 | 0 | 0 | 0 | 111.3 | K818 D849 L909 N916 | V816-K818 VanDerWaalsContact C-N 3.33Å; V816-K818 PolarHBondContact O-N 2.74Å; V816-D849 VanDerWaalsContact C-OD2 3.25Å; V816-L909 HydrophobicContact CG1-CD1 3.85Å; V816-N916 HydrophobicContact CB-CB 4.09Å; V816-N916 HydrophobicContact CG1-CB 3.93Å | ||
| 817 | P | 81.2 | Confident | 77.9 | Confident | 0 Ų | 0 | 54.5 Ų | 54.5 | 0% | 0 | 28% | 0.275 | C | S | . | . | trans | -78.8 | 81.9 | -173.2 | 30.8 | -36.4 | 0 | 0 | 0 | 110.6 | A847 D849 I859 D903 D918 | P817-A847 WeakPolarHBondContact O-CB 3.34Å; P817-D849 VanDerWaalsContact CA-OD2 3.24Å; P817-D849 WeakPolarHBondContact CA-OD2 3.22Å; P817-D849 HydrophobicContact CB-CB 4.43Å; P817-D849 WeakPolarHBondContact CB-OD2 3.4Å; P817-D849 VanDerWaalsContact CD-OD2 3.24Å; P817-D849 WeakPolarHBondContact CD-OD2 3.26Å; P817-I859 HydrophobicContact CB-CD1 3.71Å; P817-I859 HydrophobicContact CB-CG1 3.78Å; P817-D903 HydrophobicContact CG-CB 4.13Å; P817-D918 WeakPolarHBondContact O-CB 3.48Å | ||
| 818 | K | 79.2 | Confident | 77.6 | Confident | 131 Ų | 131 | 54.7 Ų | 54.7 | 57% | 0.57 | 28% | 0.276 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -75.8 | 132.6 | -173.8 | -169 | -175.6 | 175.6 | -178.7 | 0 | 111.8 | V816 A847 K848 D918 | V816-K818 VanDerWaalsContact C-N 3.33Å; V816-K818 PolarHBondContact O-N 2.74Å; K818-A847 CarbonylContact O-C 3.52Å; K818-A847 WeakPolarHBondContact O-CA 3.26Å; K818-A847 WeakPolarHBondContact O-CB 3.02Å; K818-K848 PolarHBondContact N-O 3.22Å; K818-K848 VanDerWaalsContact N-O 3.12Å; K818-K848 PolarHBondContact O-N 2.65Å; K818-D918 WeakPolarHBondContact CA-OD2 3.05Å |
| 819 | F | 83.7 | Confident | 77.2 | Confident | 7 Ų | 7 | 53.5 Ų | 53.5 | 3% | 0.031 | 28% | 0.275 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -61.4 | 145.3 | 170.7 | -79.8 | -70.9 | 0 | 0 | 0 | 112 | L821 F824 V845 V846 A847 Y861 V899 A901 D918 T920 | F819-L821 PolarHBondContact O-N 3.08Å; F819-F824 HydrophobicContact CB-CE2 4.31Å; F819-F824 AromaticContact CD1-CE2 3.96Å; F819-F824 HydrophobicContact CD1-CE2 3.96Å; F819-F824 HydrophobicContact CD1-CZ 4.32Å; F819-F824 HydrophobicContact CG-CE2 4.41Å; F819-V845 HydrophobicContact CD1-CB 4.24Å; F819-V845 HydrophobicContact CE1-CB 3.79Å; F819-V845 HydrophobicContact CE1-CG2 3.69Å; F819-V845 HydrophobicContact CZ-CG2 4.42Å; F819-V846 WeakPolarHBondContact CA-O 3.4Å; F819-V846 WeakPolarHBondContact CD1-O 3.36Å; F819-A847 HydrophobicContact CD1-CB 3.98Å; F819-A847 HydrophobicContact CE1-CB 4.29Å; F819-A847 HydrophobicContact CG-CB 4.28Å; F819-Y861 AromaticContact CE1-CD1 3.8Å; F819-Y861 HydrophobicContact CE1-CD1 3.8Å; F819-Y861 AromaticContact CE1-CE1 3.71Å; F819-Y861 HydrophobicContact CE1-CE1 3.71Å; F819-Y861 HydrophobicContact CZ-CD1 4.04Å; F819-Y861 HydrophobicContact CZ-CE1 4.28Å; F819-V899 WeakPolarHBondContact CE2-O 3.46Å; F819-V899 HydrophobicContact CZ-CG1 4.28Å; F819-A901 HydrophobicContact CD2-CB 4.45Å; F819-A901 HydrophobicContact CE1-CB 4.2Å; F819-A901 HydrophobicContact CE2-CB 3.7Å; F819-A901 HydrophobicContact CZ-CB 3.56Å; F819-D918 HydrophobicContact CD2-CB 3.99Å; F819-D918 WeakPolarHBondContact CD2-OD2 3.21Å; F819-D918 HydrophobicContact CE2-CB 4.33Å; F819-D918 PolarHBondContact N-OD2 2.86Å; F819-T920 HydrophobicContact CD1-CG2 3.68Å; F819-T920 HydrophobicContact CD2-CG2 3.69Å; F819-T920 HydrophobicContact CE1-CG2 3.66Å; F819-T920 HydrophobicContact CE2-CG2 3.66Å; F819-T920 HydrophobicContact CG-CG2 3.7Å; F819-T920 HydrophobicContact CZ-CG2 3.64Å |
| 820 | T | 74.3 | Confident | 76.6 | Confident | 84 Ų | 84 | 53.9 Ų | 53.9 | 52% | 0.515 | 28% | 0.277 | S | S | . | . | S | Bend | trans | -72.7 | -15.4 | 177.7 | 57.4 | 0 | 0 | 0 | 0 | 113.7 | F824 V846 | T820-F824 WeakPolarHBondContact OG1-CZ 3.3Å; T820-V846 HydrophobicContact CG2-CB 4.47Å; T820-V846 HydrophobicContact CG2-CG1 4.42Å; T820-V846 PolarHBondContact N-O 3.31Å; T820-V846 PolarHBondContact OG1-O 3.16Å |
| 821 | L | 70.5 | Confident | 76.3 | Confident | 93 Ų | 93 | 57.2 Ų | 57.2 | 49% | 0.487 | 30% | 0.297 | S | S | . | . | trans | -146.1 | 138.2 | 177.9 | -63.3 | 172.8 | 0 | 0 | 0 | 110.3 | F819 K823 F824 T920 | F819-L821 PolarHBondContact O-N 3.08Å; L821-K823 WeakPolarHBondContact CB-O 3.07Å; L821-K823 PolarHBondContact O-N 2.77Å; L821-F824 HydrophobicContact CB-CD2 4.16Å; L821-F824 HydrophobicContact CB-CE1 4.28Å; L821-F824 HydrophobicContact CB-CE2 3.9Å; L821-F824 HydrophobicContact CB-CG 4.46Å; L821-F824 HydrophobicContact CB-CZ 3.96Å; L821-F824 HydrophobicContact CD1-CD1 3.98Å; L821-F824 HydrophobicContact CD1-CE1 4.01Å; L821-F824 HydrophobicContact CD1-CG 4.45Å; L821-F824 HydrophobicContact CG-CE1 4.37Å; L821-F824 HydrophobicContact CG-CZ 4.42Å; L821-F824 VanDerWaalsContact O-CE2 3.25Å; L821-F824 WeakPolarHBondContact O-CE2 3.32Å; L821-T920 PolarHBondContact O-OG1 3.25Å | ||
| 822 | D | 59.7 | Low | 75.8 | Confident | 137 Ų | 137 | 58.7 Ų | 58.7 | 73% | 0.733 | 30% | 0.303 | S | S | * | . | S | Bend | trans | -67.4 | -22 | 175 | -69.6 | 10.7 | 0 | 0 | 0 | 112.4 | T920 K921 | D822-T920 VanDerWaalsContact C-OG1 3.27Å; D822-T920 PolarHBondContact O-OG1 3.46Å; D822-T920 VanDerWaalsContact O-OG1 3.08Å; D822-K921 PolarHBondContact O-N 2.86Å |
| 823 | K | 63.5 | Low | 75.1 | Confident | 111 Ų | 111 | 61.7 Ų | 61.7 | 48% | 0.483 | 32% | 0.321 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -144.6 | 130 | 174.9 | -179.8 | -172.6 | 173.9 | -171.3 | 0 | 109.9 | L821 K921 | L821-K823 WeakPolarHBondContact CB-O 3.07Å; L821-K823 PolarHBondContact O-N 2.77Å; K823-K921 CarbonylContact C-O 3.47Å; K823-K921 WeakPolarHBondContact CA-O 3.2Å |
| 824 | F | 78.6 | Confident | 74.5 | Confident | 15 Ų | 15 | 63.4 Ų | 63.4 | 7% | 0.066 | 33% | 0.331 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.9 | 148.1 | 169.6 | -67.3 | -102.4 | 0 | 0 | 0 | 110.2 | F819 T820 L821 V843 V845 T920 K921 V922 Q923 | F819-F824 HydrophobicContact CB-CE2 4.31Å; F819-F824 AromaticContact CD1-CE2 3.96Å; F819-F824 HydrophobicContact CD1-CE2 3.96Å; F819-F824 HydrophobicContact CD1-CZ 4.32Å; F819-F824 HydrophobicContact CG-CE2 4.41Å; T820-F824 WeakPolarHBondContact OG1-CZ 3.3Å; L821-F824 HydrophobicContact CB-CD2 4.16Å; L821-F824 HydrophobicContact CB-CE1 4.28Å; L821-F824 HydrophobicContact CB-CE2 3.9Å; L821-F824 HydrophobicContact CB-CG 4.46Å; L821-F824 HydrophobicContact CB-CZ 3.96Å; L821-F824 HydrophobicContact CD1-CD1 3.98Å; L821-F824 HydrophobicContact CD1-CE1 4.01Å; L821-F824 HydrophobicContact CD1-CG 4.45Å; L821-F824 HydrophobicContact CG-CE1 4.37Å; L821-F824 HydrophobicContact CG-CZ 4.42Å; L821-F824 VanDerWaalsContact O-CE2 3.25Å; L821-F824 WeakPolarHBondContact O-CE2 3.32Å; F824-V843 HydrophobicContact CB-CG2 3.94Å; F824-V843 HydrophobicContact CD1-CG2 4.39Å; F824-V845 HydrophobicContact CB-CG1 4.27Å; F824-V845 HydrophobicContact CD1-CG1 4.24Å; F824-V845 HydrophobicContact CD2-CB 4.2Å; F824-V845 HydrophobicContact CD2-CG1 3.72Å; F824-V845 HydrophobicContact CE1-CB 4.34Å; F824-V845 HydrophobicContact CE2-CB 4.01Å; F824-V845 HydrophobicContact CE2-CG1 4.06Å; F824-V845 HydrophobicContact CG-CB 4.46Å; F824-V845 HydrophobicContact CG-CG1 3.83Å; F824-V845 HydrophobicContact CZ-CB 4.09Å; F824-V845 HydrophobicContact CZ-CG1 4.46Å; F824-T920 HydrophobicContact CD2-CG2 3.8Å; F824-T920 WeakPolarHBondContact CD2-OG1 3.32Å; F824-T920 HydrophobicContact CE2-CG2 3.82Å; F824-K921 PolarHBondContact N-O 2.79Å; F824-V922 HydrophobicContact CB-CG2 4.34Å; F824-V922 CarbonylContact O-C 3.54Å; F824-V922 VanDerWaalsContact O-CA 3.3Å; F824-V922 WeakPolarHBondContact O-CA 3.45Å; F824-Q923 PolarHBondContact O-N 2.94Å |
| 825 | T | 76.2 | Confident | 74 | Confident | 76 Ų | 76 | 63.5 Ų | 63.5 | 47% | 0.466 | 34% | 0.338 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.1 | 139.6 | 175.3 | -53.9 | 0 | 0 | 0 | 0 | 110.2 | V843 Q923 L925 | T825-V843 WeakPolarHBondContact O-CG2 3.12Å; T825-Q923 CarbonylContact C-O 3.55Å; T825-Q923 WeakPolarHBondContact CA-O 3.27Å; T825-L925 HydrophobicContact CG2-CD1 3.92Å; T825-L925 HydrophobicContact CG2-CG 4.18Å |
| 826 | G | 80.7 | Confident | 73.5 | Confident | 7 Ų | 7 | 65 Ų | 65 | 7% | 0.072 | 35% | 0.348 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -132 | 167.1 | 169.9 | 0 | 0 | 0 | 0 | 0 | 111.3 | L842 Q923 I924 L925 | G826-L842 WeakPolarHBondContact CA-O 3.25Å; G826-Q923 PolarHBondContact N-O 2.86Å; G826-I924 CarbonylContact O-C 3.51Å; G826-I924 VanDerWaalsContact O-CA 3.3Å; G826-I924 WeakPolarHBondContact O-CA 3.28Å; G826-L925 PolarHBondContact O-N 2.81Å |
| 827 | S | 78.9 | Confident | 72.8 | Confident | 50 Ų | 50 | 62 Ų | 62 | 35% | 0.35 | 33% | 0.33 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.2 | 160.5 | 179.5 | 64.1 | 0 | 0 | 0 | 0 | 112.6 | L925 Q927 | S827-L925 CarbonylContact C-O 3.57Å; S827-L925 VanDerWaalsContact CA-O 3.3Å; S827-L925 WeakPolarHBondContact CA-O 3.35Å; S827-Q927 PolarHBondContact OG-OE1 3.12Å |
| 828 | V | 80.7 | Confident | 72 | Confident | 4 Ų | 4 | 68.8 Ų | 68.8 | 2% | 0.024 | 36% | 0.356 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -147.5 | 135.2 | 174.8 | 63.9 | 0 | 0 | 0 | 0 | 109.7 | M837 L842 F887 I924 L925 I926 Q927 | V828-M837 HydrophobicContact CG2-CG 4.26Å; V828-M837 HydrophobicContact CG2-SD 3.42Å; V828-M837 WeakPolarHBondContact CG2-SD 3.33Å; V828-L842 HydrophobicContact CB-CD2 4.05Å; V828-L842 HydrophobicContact CG2-CD2 4.27Å; V828-F887 HydrophobicContact CG1-CD2 3.73Å; V828-F887 HydrophobicContact CG1-CE2 4.13Å; V828-I924 HydrophobicContact CG1-CG2 4.21Å; V828-L925 PolarHBondContact N-O 2.9Å; V828-I926 HydrophobicContact CG1-CD1 3.37Å; V828-I926 WeakPolarHBondContact O-CA 3.44Å; V828-Q927 PolarHBondContact O-N 3.09Å |
| 829 | E | 75.7 | Confident | 71.5 | Confident | 87 Ų | 87 | 70.9 Ų | 70.9 | 41% | 0.407 | 37% | 0.365 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -66.8 | 143.8 | 172 | -63.4 | 149.9 | -153 | 0 | 0 | 109.5 | Q832 | E829-Q832 HydrophobicContact CB-CB 4.3Å; E829-Q832 WeakPolarHBondContact O-CB 3.49Å; E829-Q832 PolarHBondContact OE2-NE2 3.28Å |
| 830 | E | 72.4 | Confident | 71.1 | Confident | 17 Ų | 17 | 78 Ų | 78 | 8% | 0.079 | 39% | 0.391 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -68.3 | 164.4 | 171.4 | 72 | -170.8 | 140.5 | 0 | 0 | 113.1 | Q832 R889 I926 Q927 I929 | E830-Q832 PolarHBondContact O-N 2.95Å; E830-R889 WeakPolarHBondContact OE2-CB 3.35Å; E830-R889 PolarHBondContact OE2-N 3.3Å; E830-I926 HydrophobicContact CB-CG2 3.88Å; E830-Q927 PolarHBondContact N-O 3.24Å; E830-I929 HydrophobicContact CG-CD1 3.86Å; E830-I929 HydrophobicContact CG-CG1 3.99Å; E830-I929 PolarHBondContact OE1-N 3.12Å |
| 831 | E | 71.6 | Confident | 71.2 | Confident | 171 Ų | 171 | 76.3 Ų | 76.3 | 80% | 0.799 | 38% | 0.382 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 53 | -5.3 | -171.6 | -66.5 | -127.2 | 122.1 | 0 | 0 | 116.5 | F887 | E831-F887 PolarHBondContact N-O 3.17Š|
| 832 | Q | 71.4 | Confident | 71.7 | Confident | 34 Ų | 34 | 73.2 Ų | 73.2 | 16% | 0.159 | 37% | 0.366 | C | S | . | . | trans | -56.6 | 137.4 | -168.9 | -164.1 | -176.9 | 93.5 | 0 | 0 | 112.5 | E829 E830 V834 M837 S886 | E829-Q832 HydrophobicContact CB-CB 4.3Å; E829-Q832 WeakPolarHBondContact O-CB 3.49Å; E829-Q832 PolarHBondContact OE2-NE2 3.28Å; E830-Q832 PolarHBondContact O-N 2.95Å; Q832-V834 PolarHBondContact O-N 3.21Å; Q832-M837 HydrophobicContact CB-SD 4.37Å; Q832-M837 HydrophobicContact CG-CG 4.29Å; Q832-M837 WeakPolarHBondContact O-CE 3.23Å; Q832-S886 WeakPolarHBondContact O-CB 3.47Å | ||
| 833 | D | 66.3 | Low | 73 | Confident | 89 Ų | 89 | 67.6 Ų | 67.6 | 48% | 0.476 | 34% | 0.337 | S | S | . | . | trans | -66.3 | 121.7 | -175.2 | 172.7 | 24.2 | 0 | 0 | 0 | 112.5 | S835 T836 M837 | D833-S835 PolarHBondContact O-N 2.83Å; D833-S835 VanDerWaalsContact O-N 3.1Å; D833-S835 WeakPolarHBondContact OD1-CB 3.4Å; D833-S835 PolarHBondContact OD1-N 2.88Å; D833-S835 WeakPolarHBondContact OD2-CB 3.37Å; D833-S835 PolarHBondContact OD2-OG 2.95Å; D833-T836 WeakPolarHBondContact O-CA 3.21Å; D833-T836 WeakPolarHBondContact O-CB 3.23Å; D833-T836 PolarHBondContact O-N 3.08Å; D833-T836 PolarHBondContact O-OG1 3.23Å; D833-M837 PolarHBondContact O-N 2.69Å; D833-M837 VanDerWaalsContact O-N 3.14Å | ||
| 834 | V | 66.5 | Low | 74.1 | Confident | 35 Ų | 35 | 65.1 Ų | 65.1 | 21% | 0.212 | 33% | 0.331 | C | S | . | . | H | α-helix | trans | -52.9 | -27.5 | 174.8 | -172.3 | 0 | 0 | 0 | 0 | 113 | Q832 T836 M837 R838 T884 | Q832-V834 PolarHBondContact O-N 3.21Å; V834-T836 VanDerWaalsContact C-N 3.28Å; V834-T836 PolarHBondContact O-N 3.01Å; V834-M837 HydrophobicContact CB-CE 4.19Å; V834-M837 HydrophobicContact CG2-CE 3.81Å; V834-R838 WeakPolarHBondContact O-CD 3.49Å; V834-R838 VanDerWaalsContact O-CG 3.27Å; V834-R838 WeakPolarHBondContact O-CG 3.44Å; V834-R838 PolarHBondContact O-N 2.89Å; V834-T884 VanDerWaalsContact CG1-O 3.23Å; V834-T884 WeakPolarHBondContact CG1-O 3.07Å |
| 835 | S | 64.2 | Low | 74.4 | Confident | 73 Ų | 73 | 64.4 Ų | 64.4 | 51% | 0.51 | 33% | 0.328 | S | S | . | . | H | α-helix | trans | -67.3 | -29.1 | 174.9 | 100.7 | 0 | 0 | 0 | 0 | 113 | D833 | D833-S835 PolarHBondContact O-N 2.83Å; D833-S835 VanDerWaalsContact O-N 3.1Å; D833-S835 WeakPolarHBondContact OD1-CB 3.4Å; D833-S835 PolarHBondContact OD1-N 2.88Å; D833-S835 WeakPolarHBondContact OD2-CB 3.37Å; D833-S835 PolarHBondContact OD2-OG 2.95Å |
| 836 | T | 68.1 | Low | 74.8 | Confident | 79 Ų | 79 | 64 Ų | 64 | 49% | 0.485 | 33% | 0.325 | S | S | . | . | H | α-helix | trans | -84.7 | -51.6 | 177.4 | -18.1 | 0 | 0 | 0 | 0 | 111.1 | D833 V834 R838 K839 | D833-T836 WeakPolarHBondContact O-CA 3.21Å; D833-T836 WeakPolarHBondContact O-CB 3.23Å; D833-T836 PolarHBondContact O-N 3.08Å; D833-T836 PolarHBondContact O-OG1 3.23Å; V834-T836 VanDerWaalsContact C-N 3.28Å; V834-T836 PolarHBondContact O-N 3.01Å; T836-R838 PolarHBondContact O-N 2.87Å; T836-R838 VanDerWaalsContact O-N 3.11Å; T836-K839 PolarHBondContact O-N 2.85Å |
| 837 | M | 64.7 | Low | 74.9 | Confident | 2 Ų | 2 | 64 Ų | 64 | 1% | 0.01 | 33% | 0.325 | C | S | . | . | H | α-helix | trans | -53.8 | -34.8 | -179.4 | -76.7 | -174.5 | -71.2 | 0 | 0 | 113.2 | V828 Q832 D833 V834 K839 R840 A883 Q885 | V828-M837 HydrophobicContact CG2-CG 4.26Å; V828-M837 HydrophobicContact CG2-SD 3.42Å; V828-M837 WeakPolarHBondContact CG2-SD 3.33Å; Q832-M837 HydrophobicContact CB-SD 4.37Å; Q832-M837 HydrophobicContact CG-CG 4.29Å; Q832-M837 WeakPolarHBondContact O-CE 3.23Å; D833-M837 PolarHBondContact O-N 2.69Å; D833-M837 VanDerWaalsContact O-N 3.14Å; V834-M837 HydrophobicContact CB-CE 4.19Å; V834-M837 HydrophobicContact CG2-CE 3.81Å; M837-K839 PolarHBondContact O-N 2.84Å; M837-R840 PolarHBondContact O-N 2.79Å; M837-A883 HydrophobicContact CB-CB 4.37Å; M837-A883 HydrophobicContact SD-CB 3.86Å; M837-Q885 WeakPolarHBondContact CE-O 3.49Å |
| 838 | R | 65.6 | Low | 74.9 | Confident | 142 Ų | 142 | 68.6 Ų | 68.6 | 54% | 0.536 | 34% | 0.338 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -61.4 | -14 | 178.5 | -77 | 174.5 | -178.8 | -153.3 | -1.1 | 114.8 | V834 T836 R873 T884 | V834-R838 WeakPolarHBondContact O-CD 3.49Å; V834-R838 VanDerWaalsContact O-CG 3.27Å; V834-R838 WeakPolarHBondContact O-CG 3.44Å; V834-R838 PolarHBondContact O-N 2.89Å; T836-R838 PolarHBondContact O-N 2.87Å; T836-R838 VanDerWaalsContact O-N 3.11Å; R838-R873 PolarHBondContact O-NH2 3.38Å; R838-T884 PolarHBondContact NH2-O 2.88Å |
| 839 | K | 68.7 | Low | 74.9 | Confident | 176 Ų | 176 | 68.7 Ų | 68.7 | 77% | 0.765 | 34% | 0.338 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -110.4 | -20 | 179.7 | -63.6 | 176.6 | -176 | 166.6 | 0 | 114.8 | T836 M837 | T836-K839 PolarHBondContact O-N 2.85Å; M837-K839 PolarHBondContact O-N 2.84Å |
| 840 | R | 74.7 | Confident | 75 | Confident | 155 Ų | 155 | 68.4 Ų | 68.4 | 59% | 0.585 | 34% | 0.34 | S | S | * | . | S | Bend | trans | -102.4 | 121.4 | 178.8 | -179 | -179.3 | 178.3 | -171.5 | -1.5 | 108.3 | M837 Y882 | M837-R840 PolarHBondContact O-N 2.79Å; R840-Y882 WeakPolarHBondContact O-CD1 3.36Å |
| 841 | P | 77.2 | Confident | 75.4 | Confident | 50 Ų | 50 | 67.6 Ų | 67.6 | 33% | 0.325 | 34% | 0.336 | S | S | . | . | trans | -68.9 | 144.1 | 171.8 | 30.5 | -33.7 | 0 | 0 | 0 | 110.1 | A880 V881 Y882 | P841-A880 HydrophobicContact CB-CB 3.98Å; P841-V881 CarbonylContact C-O 3.55Å; P841-V881 WeakPolarHBondContact CA-O 3.24Å; P841-Y882 HydrophobicContact CB-CD1 4.39Å; P841-Y882 HydrophobicContact CB-CE1 4.05Å; P841-Y882 HydrophobicContact CB-CE2 4.46Å | ||
| 842 | L | 81 | Confident | 75.6 | Confident | 27 Ų | 27 | 64.3 Ų | 64.3 | 14% | 0.141 | 32% | 0.321 | C | S | . | . | S | Bend | trans | -75.7 | -36.8 | 173.5 | -51 | -179.7 | 0 | 0 | 0 | 110.8 | G826 V828 F872 V881 A883 I924 | G826-L842 WeakPolarHBondContact CA-O 3.25Å; V828-L842 HydrophobicContact CB-CD2 4.05Å; V828-L842 HydrophobicContact CG2-CD2 4.27Å; L842-F872 HydrophobicContact CD1-CD1 3.65Å; L842-F872 HydrophobicContact CD1-CE1 3.54Å; L842-V881 PolarHBondContact N-O 2.82Å; L842-A883 HydrophobicContact CD1-CB 4.05Å; L842-A883 HydrophobicContact CD2-CB 4.32Å; L842-I924 HydrophobicContact CB-CD1 4.01Å; L842-I924 HydrophobicContact CD1-CD1 3.79Å; L842-I924 HydrophobicContact CD1-CG1 4.2Å; L842-I924 HydrophobicContact CD1-CG2 3.96Å |
| 843 | V | 85.6 | Confident | 75.7 | Confident | 20 Ų | 20 | 66.3 Ų | 66.3 | 12% | 0.121 | 33% | 0.327 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -164.8 | 154.6 | -177.3 | 58.2 | 0 | 0 | 0 | 0 | 108.4 | F824 T825 V881 V922 I924 | F824-V843 HydrophobicContact CB-CG2 3.94Å; F824-V843 HydrophobicContact CD1-CG2 4.39Å; T825-V843 WeakPolarHBondContact O-CG2 3.12Å; V843-V881 HydrophobicContact CG1-CB 4.02Å; V843-V881 HydrophobicContact CG1-CG2 4.32Å; V843-V881 PolarHBondContact O-N 3.38Å; V843-V922 HydrophobicContact CG1-CG1 3.48Å; V843-V922 VanDerWaalsContact CG1-CG1 3.48Å; V843-I924 HydrophobicContact CG1-CD1 3.97Å |
| 844 | T | 86.5 | Confident | 76.1 | Confident | 59 Ų | 59 | 67.4 Ų | 67.4 | 36% | 0.362 | 34% | 0.339 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -128 | 115.9 | 179.8 | -58.6 | 0 | 0 | 0 | 0 | 108.5 | V846 S878 A880 | T844-V846 HydrophobicContact CG2-CG2 4.48Å; T844-S878 WeakPolarHBondContact CG2-O 3.35Å; T844-A880 HydrophobicContact CG2-CB 4.38Å |
| 845 | V | 86.1 | Confident | 76.3 | Confident | 0 Ų | 0 | 71.2 Ų | 71.2 | 0% | 0 | 35% | 0.354 | C | S | . | . | trans | -80.5 | 143.7 | 175 | -55.3 | 0 | 0 | 0 | 0 | 110.2 | F819 F824 Y861 I874 G879 V899 T920 V922 | F819-V845 HydrophobicContact CD1-CB 4.24Å; F819-V845 HydrophobicContact CE1-CB 3.79Å; F819-V845 HydrophobicContact CE1-CG2 3.69Å; F819-V845 HydrophobicContact CZ-CG2 4.42Å; F824-V845 HydrophobicContact CB-CG1 4.27Å; F824-V845 HydrophobicContact CD1-CG1 4.24Å; F824-V845 HydrophobicContact CD2-CB 4.2Å; F824-V845 HydrophobicContact CD2-CG1 3.72Å; F824-V845 HydrophobicContact CE1-CB 4.34Å; F824-V845 HydrophobicContact CE2-CB 4.01Å; F824-V845 HydrophobicContact CE2-CG1 4.06Å; F824-V845 HydrophobicContact CG-CB 4.46Å; F824-V845 HydrophobicContact CG-CG1 3.83Å; F824-V845 HydrophobicContact CZ-CB 4.09Å; F824-V845 HydrophobicContact CZ-CG1 4.46Å; V845-Y861 HydrophobicContact CG2-CD1 3.76Å; V845-Y861 HydrophobicContact CG2-CE1 4.19Å; V845-Y861 HydrophobicContact CG2-CG 4.23Å; V845-I874 HydrophobicContact CG2-CD1 3.98Å; V845-G879 PolarHBondContact N-O 2.96Å; V845-V899 HydrophobicContact CG2-CG1 3.87Å; V845-T920 HydrophobicContact CG1-CG2 4.23Å; V845-V922 HydrophobicContact CG1-CG2 3.7Å | ||
| 846 | V | 84.2 | Confident | 77.1 | Confident | 67 Ų | 67 | 68.5 Ų | 68.5 | 41% | 0.406 | 33% | 0.333 | S | S | . | . | trans | -135 | 134.3 | 177.6 | -177.9 | 0 | 0 | 0 | 0 | 109.4 | F819 T820 T844 | F819-V846 WeakPolarHBondContact CA-O 3.4Å; F819-V846 WeakPolarHBondContact CD1-O 3.36Å; T820-V846 HydrophobicContact CG2-CB 4.47Å; T820-V846 HydrophobicContact CG2-CG1 4.42Å; T820-V846 PolarHBondContact N-O 3.31Å; T820-V846 PolarHBondContact OG1-O 3.16Å; T844-V846 HydrophobicContact CG2-CG2 4.48Å | ||
| 847 | A | 82.9 | Confident | 77.4 | Confident | 8 Ų | 8 | 68.8 Ų | 68.8 | 7% | 0.066 | 33% | 0.328 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.8 | 157.6 | 167.5 | 0 | 0 | 0 | 0 | 0 | 110.2 | P817 K818 F819 I859 Y861 A901 | P817-A847 WeakPolarHBondContact O-CB 3.34Å; K818-A847 CarbonylContact O-C 3.52Å; K818-A847 WeakPolarHBondContact O-CA 3.26Å; K818-A847 WeakPolarHBondContact O-CB 3.02Å; F819-A847 HydrophobicContact CD1-CB 3.98Å; F819-A847 HydrophobicContact CE1-CB 4.29Å; F819-A847 HydrophobicContact CG-CB 4.28Å; A847-I859 HydrophobicContact CB-CD1 4.11Å; A847-I859 HydrophobicContact CB-CG2 4.35Å; A847-I859 WeakPolarHBondContact O-CD1 3.47Å; A847-Y861 HydrophobicContact CB-CE1 4Å; A847-Y861 PolarHBondContact N-OH 2.99Å; A847-A901 HydrophobicContact CB-CB 4.02Å |
| 848 | K | 79.4 | Confident | 78.1 | Confident | 145 Ų | 145 | 72.7 Ų | 72.7 | 63% | 0.63 | 35% | 0.349 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -133.9 | 139.3 | -175.9 | -175.6 | -175.4 | 175.3 | -165.6 | 0 | 109.6 | K818 | K818-K848 PolarHBondContact N-O 3.22Å; K818-K848 VanDerWaalsContact N-O 3.12Å; K818-K848 PolarHBondContact O-N 2.65Å |
| 849 | D | 79.3 | Confident | 79 | Confident | 6 Ų | 6 | 66.9 Ų | 66.9 | 3% | 0.032 | 33% | 0.328 | C | S | . | . | trans | -122.1 | 154.6 | 176.4 | -140.7 | -43.4 | 0 | 0 | 0 | 111.6 | N815 V816 P817 K857 I859 | N815-D849 WeakPolarHBondContact CB-OD1 3.38Å; V816-D849 VanDerWaalsContact C-OD2 3.25Å; P817-D849 VanDerWaalsContact CA-OD2 3.24Å; P817-D849 WeakPolarHBondContact CA-OD2 3.22Å; P817-D849 HydrophobicContact CB-CB 4.43Å; P817-D849 WeakPolarHBondContact CB-OD2 3.4Å; P817-D849 VanDerWaalsContact CD-OD2 3.24Å; P817-D849 WeakPolarHBondContact CD-OD2 3.26Å; D849-K857 HydrophobicContact CB-CD 4.48Å; D849-K857 HydrophobicContact CB-CG 4.26Å; D849-K857 WeakPolarHBondContact O-CE 3.5Å; D849-K857 PolarHBondContact O-NZ 2.85Å; D849-I859 HydrophobicContact CB-CD1 4.43Å | ||
| 850 | N | 79 | Confident | 79.7 | Confident | 81 Ų | 81 | 59.7 Ų | 59.7 | 43% | 0.433 | 30% | 0.299 | S | S | . | . | trans | -103.9 | -41.2 | -169.6 | -76.3 | -19.8 | 0 | 0 | 0 | 113.6 | N815 E852 K857 | N815-N850 HydrophobicContact CB-CB 4.12Å; N850-E852 PolarHBondContact O-N 3.42Å; N850-K857 VanDerWaalsContact C-CE 3.48Å; N850-K857 VanDerWaalsContact O-CE 3.22Å; N850-K857 WeakPolarHBondContact O-CE 3.33Å; N850-K857 PolarHBondContact O-NZ 2.78Å | ||
| 851 | D | 79.8 | Confident | 80.4 | Confident | 0 Ų | 0 | 53.1 Ų | 53.1 | 0% | 0 | 27% | 0.274 | C | S | . | . | trans | -48.4 | 115.3 | -176.5 | -59.1 | -17.8 | 0 | 0 | 0 | 112.7 | K812 N813 D814 N815 R853 F856 K857 | K812-D851 VanDerWaalsContact O-CG 3.23Å; N813-D851 VanDerWaalsContact CA-OD2 3.26Å; N813-D851 WeakPolarHBondContact CA-OD2 3.37Å; D814-D851 PolarHBondContact N-OD2 2.84Å; N815-D851 WeakPolarHBondContact CB-OD1 3.48Å; N815-D851 PolarHBondContact N-OD1 2.87Å; N815-D851 PolarHBondContact N-OD2 2.74Å; N815-D851 PolarHBondContact ND2-OD1 2.79Å; D851-R853 PolarHBondContact O-N 2.87Å; D851-F856 HydrophobicContact CB-CB 3.71Å; D851-F856 HydrophobicContact CB-CD2 3.91Å; D851-F856 HydrophobicContact CB-CG 4.3Å; D851-K857 VanDerWaalsContact C-CE 3.47Å; D851-K857 WeakPolarHBondContact O-CE 3.29Å; D851-K857 WeakPolarHBondContact O-CG 3.47Å | ||
| 852 | E | 75.4 | Confident | 80.7 | Confident | 103 Ų | 103 | 54 Ų | 54 | 48% | 0.481 | 27% | 0.273 | S | S | . | . | S | Bend | trans | -59.7 | -27.1 | -163.2 | -176.6 | 162.2 | -136.8 | 0 | 0 | 113.9 | Y780 K784 D811 N850 | Y780-E852 HydrophobicContact CE1-CB 3.95Å; Y780-E852 WeakPolarHBondContact CE1-OE2 3.17Å; Y780-E852 PolarHBondContact OH-OE2 2.96Å; K784-E852 IonicContact NZ-OE1 2.9Å; K784-E852 IonicContact NZ-OE2 2.66Å; K784-E852 PolarHBondContact NZ-OE2 2.68Å; D811-E852 PolarHBondContact OD1-N 2.85Å; N850-E852 PolarHBondContact O-N 3.42Å |
| 853 | R | 74.7 | Confident | 81 | Confident | 75 Ų | 75 | 54.2 Ų | 54.2 | 28% | 0.283 | 27% | 0.274 | S | S | . | . | S | Bend | trans | -64.2 | 128.8 | 179.3 | -96.4 | -170.3 | -101.5 | 179.5 | 0.2 | 113.8 | D811 D851 E855 F856 | D811-R853 PolarHBondContact O-NH2 3.27Å; D811-R853 WeakPolarHBondContact OD2-CB 3.5Å; D811-R853 WeakPolarHBondContact OD2-CD 3.25Å; D811-R853 WeakPolarHBondContact OD2-CG 3.4Å; D811-R853 IonicContact OD2-CZ 2.8Å; D811-R853 IonicContact OD2-NE 2.77Å; D811-R853 PolarHBondContact OD2-NE 2.81Å; D851-R853 PolarHBondContact O-N 2.87Å; R853-E855 HydrophobicContact CB-CG 3.93Å; R853-E855 WeakPolarHBondContact CD-OE1 3.33Å; R853-E855 HydrophobicContact CG-CG 4.33Å; R853-E855 IonicContact CZ-OE1 2.84Å; R853-E855 IonicContact NE-OE1 2.95Å; R853-E855 IonicContact NH1-OE1 3.21Å; R853-E855 PolarHBondContact NH1-OE1 3.12Å; R853-E855 PolarHBondContact O-N 3.15Å; R853-F856 HydrophobicContact CB-CB 4.43Å; R853-F856 HydrophobicContact CB-CD2 3.6Å; R853-F856 HydrophobicContact CB-CE2 4Å; R853-F856 HydrophobicContact CB-CG 4.01Å; R853-F856 HydrophobicContact CG-CE2 4.49Å; R853-F856 WeakPolarHBondContact O-CB 3.48Å; R853-F856 PolarHBondContact O-N 2.79Å |
| 854 | P | 73.7 | Confident | 80.7 | Confident | 112 Ų | 112 | 55.6 Ų | 55.6 | 73% | 0.727 | 28% | 0.281 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -61.5 | -17.6 | 175.4 | -25.4 | 34.9 | 0 | 0 | 0 | 115.6 | F856 | P854-F856 VanDerWaalsContact C-N 3.31Š|
| 855 | E | 71.5 | Confident | 79.8 | Confident | 116 Ų | 116 | 58.9 Ų | 58.9 | 54% | 0.542 | 30% | 0.303 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -74 | -22.8 | 173.3 | 47.9 | -174.2 | -166.8 | 0 | 0 | 112.8 | R853 | R853-E855 HydrophobicContact CB-CG 3.93Å; R853-E855 WeakPolarHBondContact CD-OE1 3.33Å; R853-E855 HydrophobicContact CG-CG 4.33Å; R853-E855 IonicContact CZ-OE1 2.84Å; R853-E855 IonicContact NE-OE1 2.95Å; R853-E855 IonicContact NH1-OE1 3.21Å; R853-E855 PolarHBondContact NH1-OE1 3.12Å; R853-E855 PolarHBondContact O-N 3.15Å |
| 856 | F | 80.2 | Confident | 79.1 | Confident | 15 Ų | 15 | 60.6 Ų | 60.6 | 7% | 0.066 | 32% | 0.321 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -92.8 | -9.3 | 179.3 | -59.5 | -17.6 | 0 | 0 | 0 | 112.3 | K812 N813 D851 R853 P854 A905 | K812-F856 VanDerWaalsContact C-CE2 3.48Å; K812-F856 WeakPolarHBondContact O-CD2 3.4Å; N813-F856 HydrophobicContact CB-CD1 3.65Å; N813-F856 HydrophobicContact CB-CD2 3.93Å; N813-F856 HydrophobicContact CB-CE1 3.71Å; N813-F856 HydrophobicContact CB-CE2 3.98Å; N813-F856 HydrophobicContact CB-CG 3.79Å; N813-F856 HydrophobicContact CB-CZ 3.87Å; N813-F856 WeakPolarHBondContact OD1-CA 3.27Å; N813-F856 WeakPolarHBondContact OD1-CB 3.4Å; N813-F856 WeakPolarHBondContact OD1-CD1 3.41Å; N813-F856 WeakPolarHBondContact OD1-CG 3.48Å; D851-F856 HydrophobicContact CB-CB 3.71Å; D851-F856 HydrophobicContact CB-CD2 3.91Å; D851-F856 HydrophobicContact CB-CG 4.3Å; R853-F856 HydrophobicContact CB-CB 4.43Å; R853-F856 HydrophobicContact CB-CD2 3.6Å; R853-F856 HydrophobicContact CB-CE2 4Å; R853-F856 HydrophobicContact CB-CG 4.01Å; R853-F856 HydrophobicContact CG-CE2 4.49Å; R853-F856 WeakPolarHBondContact O-CB 3.48Å; R853-F856 PolarHBondContact O-N 2.79Å; P854-F856 VanDerWaalsContact C-N 3.31Å; F856-A905 HydrophobicContact CD1-CB 3.8Å; F856-A905 HydrophobicContact CE1-CB 4.44Å |
| 857 | K | 74.9 | Confident | 78.4 | Confident | 85 Ų | 85 | 63.4 Ų | 63.4 | 37% | 0.37 | 34% | 0.34 | S | S | . | . | trans | -108.7 | 13.7 | -179.2 | -53.4 | -151.8 | -178.1 | -161.3 | 0 | 116.5 | D849 N850 D851 I859 | D849-K857 HydrophobicContact CB-CD 4.48Å; D849-K857 HydrophobicContact CB-CG 4.26Å; D849-K857 WeakPolarHBondContact O-CE 3.5Å; D849-K857 PolarHBondContact O-NZ 2.85Å; N850-K857 VanDerWaalsContact C-CE 3.48Å; N850-K857 VanDerWaalsContact O-CE 3.22Å; N850-K857 WeakPolarHBondContact O-CE 3.33Å; N850-K857 PolarHBondContact O-NZ 2.78Å; D851-K857 VanDerWaalsContact C-CE 3.47Å; D851-K857 WeakPolarHBondContact O-CE 3.29Å; D851-K857 WeakPolarHBondContact O-CG 3.47Å; K857-I859 VanDerWaalsContact C-N 3.26Å; K857-I859 PolarHBondContact O-N 3.01Å | ||
| 858 | D | 80 | Confident | 78 | Confident | 84 Ų | 84 | 63.6 Ų | 63.6 | 45% | 0.449 | 34% | 0.341 | S | S | . | . | trans | -82.4 | 57.1 | -173.7 | -167.9 | 47.2 | 0 | 0 | 0 | 114.6 | K877 D903 N904 | D858-K877 PolarHBondContact O-NZ 3.39Å; D858-K877 IonicContact OD1-NZ 3.13Å; D858-K877 PolarHBondContact OD1-NZ 3.37Å; D858-K877 IonicContact OD2-NZ 3.41Å; D858-K877 PolarHBondContact OD2-NZ 3.32Å; D858-D903 CarbonylContact C-O 3.52Å; D858-D903 VanDerWaalsContact C-O 3.3Å; D858-D903 PolarHBondContact N-O 2.93Å; D858-N904 PolarHBondContact O-ND2 3.2Å | ||
| 859 | I | 83.8 | Confident | 77.8 | Confident | 20 Ų | 20 | 58.3 Ų | 58.3 | 10% | 0.103 | 32% | 0.323 | C | S | . | . | trans | -53.5 | 139 | -174.2 | -54.8 | 177.1 | 0 | 0 | 0 | 112.8 | P817 A847 D849 K857 Y861 K877 A901 E902 | P817-I859 HydrophobicContact CB-CD1 3.71Å; P817-I859 HydrophobicContact CB-CG1 3.78Å; A847-I859 HydrophobicContact CB-CD1 4.11Å; A847-I859 HydrophobicContact CB-CG2 4.35Å; A847-I859 WeakPolarHBondContact O-CD1 3.47Å; D849-I859 HydrophobicContact CB-CD1 4.43Å; K857-I859 VanDerWaalsContact C-N 3.26Å; K857-I859 PolarHBondContact O-N 3.01Å; I859-Y861 HydrophobicContact CG2-CD1 4.45Å; I859-Y861 HydrophobicContact CG2-CE1 3.84Å; I859-Y861 HydrophobicContact CG2-CE2 4.12Å; I859-K877 WeakPolarHBondContact O-CD 3.48Å; I859-K877 PolarHBondContact O-NZ 3.26Å; I859-A901 HydrophobicContact CG2-CB 4.11Å; I859-E902 CarbonylContact C-O 3.58Å; I859-E902 VanDerWaalsContact CA-O 3.28Å; I859-E902 WeakPolarHBondContact CA-O 3.28Å | ||
| 860 | T | 83.5 | Confident | 77.5 | Confident | 25 Ų | 25 | 64.5 Ų | 64.5 | 15% | 0.153 | 35% | 0.351 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.4 | 147.5 | 167.5 | 51.8 | 0 | 0 | 0 | 0 | 112.6 | S876 K877 A901 E902 N904 | T860-S876 VanDerWaalsContact CA-O 3.3Å; T860-S876 WeakPolarHBondContact CA-O 3.14Å; T860-S876 WeakPolarHBondContact CB-O 3.41Å; T860-K877 HydrophobicContact CG2-CD 3.95Å; T860-K877 VanDerWaalsContact CG2-NZ 3.32Å; T860-A901 CarbonylContact O-C 3.6Å; T860-A901 VanDerWaalsContact O-CA 3.27Å; T860-A901 WeakPolarHBondContact O-CA 3.37Å; T860-E902 PolarHBondContact N-O 2.84Å; T860-E902 PolarHBondContact O-N 3.13Å; T860-E902 VanDerWaalsContact OG1-CG 3.26Å; T860-E902 WeakPolarHBondContact OG1-CG 3.28Å; T860-E902 PolarHBondContact OG1-O 3.2Å; T860-N904 PolarHBondContact OG1-ND2 3.11Å |
| 861 | Y | 89.9 | Confident | 77.8 | Confident | 18 Ų | 18 | 61.3 Ų | 61.3 | 7% | 0.071 | 33% | 0.334 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.1 | 147.8 | -174.8 | -53.9 | -80.9 | 0 | 0 | 0 | 113.2 | F819 V845 A847 I859 S876 Q900 A901 | F819-Y861 AromaticContact CE1-CD1 3.8Å; F819-Y861 HydrophobicContact CE1-CD1 3.8Å; F819-Y861 AromaticContact CE1-CE1 3.71Å; F819-Y861 HydrophobicContact CE1-CE1 3.71Å; F819-Y861 HydrophobicContact CZ-CD1 4.04Å; F819-Y861 HydrophobicContact CZ-CE1 4.28Å; V845-Y861 HydrophobicContact CG2-CD1 3.76Å; V845-Y861 HydrophobicContact CG2-CE1 4.19Å; V845-Y861 HydrophobicContact CG2-CG 4.23Å; A847-Y861 HydrophobicContact CB-CE1 4Å; A847-Y861 PolarHBondContact N-OH 2.99Å; I859-Y861 HydrophobicContact CG2-CD1 4.45Å; I859-Y861 HydrophobicContact CG2-CE1 3.84Å; I859-Y861 HydrophobicContact CG2-CE2 4.12Å; Y861-S876 PolarHBondContact N-O 3Å; Y861-S876 VanDerWaalsContact O-CA 3.23Å; Y861-S876 WeakPolarHBondContact O-CA 3.32Å; Y861-S876 WeakPolarHBondContact O-CB 3.46Å; Y861-Q900 CarbonylContact C-O 3.59Å; Y861-Q900 WeakPolarHBondContact CA-O 3.18Å; Y861-A901 HydrophobicContact CD1-CB 4.14Å; Y861-A901 HydrophobicContact CE1-CB 4.16Å |
| 862 | K | 84.2 | Confident | 78.2 | Confident | 67 Ų | 67 | 61.8 Ų | 61.8 | 29% | 0.291 | 34% | 0.336 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -156.6 | 140.7 | 174.7 | 61.1 | -160.2 | 167.2 | -167.4 | 0 | 113.6 | V899 Q900 E902 | K862-V899 CarbonylContact O-C 3.43Å; K862-V899 WeakPolarHBondContact O-CA 3.35Å; K862-Q900 HydrophobicContact CG-CB 4.09Å; K862-Q900 PolarHBondContact N-O 2.72Å; K862-Q900 PolarHBondContact O-N 3.17Å; K862-E902 IonicContact NZ-OE1 3.67Å; K862-E902 PolarHBondContact NZ-OE1 3.15Å; K862-E902 IonicContact NZ-OE2 3.59Å; K862-E902 PolarHBondContact NZ-OE2 3.25Å |
| 863 | I | 86.5 | Confident | 78.6 | Confident | 32 Ų | 32 | 61.6 Ų | 61.6 | 16% | 0.164 | 33% | 0.331 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -74.3 | 133.8 | 168.6 | -70.8 | 161.5 | 0 | 0 | 0 | 108.5 | F872 I874 V881 L897 D898 V899 | I863-F872 HydrophobicContact CD1-CB 4.4Å; I863-I874 HydrophobicContact CB-CG2 4.24Å; I863-I874 HydrophobicContact CD1-CB 3.76Å; I863-I874 HydrophobicContact CD1-CG2 4Å; I863-I874 HydrophobicContact CG1-CB 3.89Å; I863-I874 HydrophobicContact CG1-CG2 3.78Å; I863-V881 HydrophobicContact CD1-CG1 4.45Å; I863-L897 HydrophobicContact CD1-CD1 4.28Å; I863-D898 CarbonylContact C-O 3.48Å; I863-D898 WeakPolarHBondContact CA-O 3.46Å; I863-V899 HydrophobicContact CG1-CG2 3.84Å |
| 864 | L | 78.5 | Confident | 79.4 | Confident | 50 Ų | 50 | 59.6 Ų | 59.6 | 26% | 0.262 | 33% | 0.326 | S | S | . | . | P | Polyproline II helix | trans | -83.9 | 153.5 | 173.9 | -58.8 | 179.3 | 0 | 0 | 0 | 111 | G866 D898 Q900 I919 | L864-G866 PolarHBondContact O-N 3.45Å; L864-D898 HydrophobicContact CB-CB 4.16Å; L864-D898 HydrophobicContact CD1-CB 4.26Å; L864-D898 PolarHBondContact N-O 3.08Å; L864-Q900 HydrophobicContact CD1-CB 4.49Å; L864-Q900 HydrophobicContact CD2-CB 4.14Å; L864-Q900 HydrophobicContact CG-CB 4.39Å; L864-I919 HydrophobicContact CD1-CD1 4.09Å; L864-I919 HydrophobicContact CD1-CG2 4.39Å |
| 865 | P | 68.3 | Low | 79.8 | Confident | 128 Ų | 128 | 57.2 Ų | 57.2 | 83% | 0.831 | 31% | 0.307 | S | S | * | . | P | Polyproline II helix | trans | -67 | 126.7 | -175.8 | -19.4 | 33 | 0 | 0 | 0 | 112.6 | ||
| 866 | G | 71.8 | Confident | 80.5 | Confident | 36 Ų | 36 | 54.9 Ų | 54.9 | 37% | 0.371 | 30% | 0.304 | S | S | . | . | trans | -156.3 | 174.5 | 179.6 | 0 | 0 | 0 | 0 | 0 | 112.2 | L864 A868 S869 | L864-G866 PolarHBondContact O-N 3.45Å; G866-A868 PolarHBondContact O-N 3.23Å; G866-S869 PolarHBondContact N-OG 3.33Å; G866-S869 WeakPolarHBondContact O-CB 3.47Å; G866-S869 PolarHBondContact O-N 2.82Å; G866-S869 PolarHBondContact O-OG 3.21Å; G866-S869 VanDerWaalsContact O-OG 3.05Å | ||
| 867 | P | 69 | Low | 80.5 | Confident | 125 Ų | 125 | 59 Ų | 59 | 81% | 0.812 | 32% | 0.321 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -58.3 | -45.7 | -173.5 | 21.7 | -32.2 | 0 | 0 | 0 | 112.5 | H870 | P867-H870 PolarHBondContact O-CE1 3.45Å; P867-H870 PolarHBondContact O-ND1 2.74Å |
| 868 | A | 74.8 | Confident | 81 | Confident | 12 Ų | 12 | 57.5 Ų | 57.5 | 10% | 0.099 | 32% | 0.322 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -81.7 | -7.6 | 176.7 | 0 | 0 | 0 | 0 | 0 | 114.2 | G866 H870 L871 F872 F895 L897 | G866-A868 PolarHBondContact O-N 3.23Å; A868-H870 PolarHBondContact O-N 3.22Å; A868-L871 HydrophobicContact CB-CD1 4.19Å; A868-L871 WeakPolarHBondContact O-CB 3.34Å; A868-L871 PolarHBondContact O-N 3.34Å; A868-F872 HydrophobicContact CB-CE2 4.5Å; A868-F895 HydrophobicContact CB-CB 4.38Å; A868-F895 HydrophobicContact CB-CD1 4.06Å; A868-L897 HydrophobicContact CB-CD2 3.96Å |
| 869 | S | 73.9 | Confident | 81.2 | Confident | 34 Ų | 34 | 53.5 Ų | 53.5 | 24% | 0.238 | 30% | 0.3 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -70 | -2.8 | -168.8 | 84.6 | 0 | 0 | 0 | 0 | 115 | G866 | G866-S869 PolarHBondContact N-OG 3.33Å; G866-S869 WeakPolarHBondContact O-CB 3.47Å; G866-S869 PolarHBondContact O-N 2.82Å; G866-S869 PolarHBondContact O-OG 3.21Å; G866-S869 VanDerWaalsContact O-OG 3.05Å |
| 870 | H | 74.8 | Confident | 81.3 | Confident | 136 Ų | 136 | 52.8 Ų | 52.8 | 63% | 0.63 | 30% | 0.297 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -93 | -17.1 | 172.6 | 70.9 | -80.5 | 0 | 0 | 0 | 113.1 | P867 A868 F872 T884 | P867-H870 PolarHBondContact O-CE1 3.45Å; P867-H870 PolarHBondContact O-ND1 2.74Å; A868-H870 PolarHBondContact O-N 3.22Å; H870-F872 VanDerWaalsContact C-N 3.33Å; H870-T884 PolarHBondContact O-OG1 3.48Å |
| 871 | L | 83.9 | Confident | 81.5 | Confident | 15 Ų | 15 | 51.6 Ų | 51.6 | 8% | 0.079 | 29% | 0.29 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -81.5 | -14.6 | 178.9 | -52.2 | 175.7 | 0 | 0 | 0 | 112.3 | A868 T884 Q885 F895 | A868-L871 HydrophobicContact CB-CD1 4.19Å; A868-L871 WeakPolarHBondContact O-CB 3.34Å; A868-L871 PolarHBondContact O-N 3.34Å; L871-T884 PolarHBondContact O-N 3.26Å; L871-T884 PolarHBondContact O-OG1 2.92Å; L871-Q885 HydrophobicContact CD2-CG 4.32Å; L871-F895 HydrophobicContact CD1-CD1 3.78Å; L871-F895 HydrophobicContact CD1-CE1 3.51Å; L871-F895 HydrophobicContact CD1-CZ 4.16Å |
| 872 | F | 89.3 | Confident | 81.1 | Confident | 9 Ų | 9 | 52.4 Ų | 52.4 | 4% | 0.039 | 29% | 0.293 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.3 | 159.1 | -174.4 | -56 | -81.8 | 0 | 0 | 0 | 111.7 | L842 I863 A868 H870 V881 Y882 A883 F887 F895 L897 I924 | L842-F872 HydrophobicContact CD1-CD1 3.65Å; L842-F872 HydrophobicContact CD1-CE1 3.54Å; I863-F872 HydrophobicContact CD1-CB 4.4Å; A868-F872 HydrophobicContact CB-CE2 4.5Å; H870-F872 VanDerWaalsContact C-N 3.33Å; F872-V881 HydrophobicContact CB-CG1 4.26Å; F872-Y882 CarbonylContact C-O 3.56Å; F872-Y882 VanDerWaalsContact CA-O 3.28Å; F872-Y882 WeakPolarHBondContact CA-O 3.45Å; F872-A883 HydrophobicContact CD1-CB 4.38Å; F872-A883 HydrophobicContact CE1-CB 4.3Å; F872-F887 HydrophobicContact CE1-CE2 4.43Å; F872-F887 HydrophobicContact CE1-CZ 4.16Å; F872-F887 HydrophobicContact CZ-CE2 4.49Å; F872-F887 AromaticContact CZ-CZ 3.89Å; F872-F887 HydrophobicContact CZ-CZ 3.89Å; F872-F895 HydrophobicContact CE2-CB 3.86Å; F872-F895 HydrophobicContact CE2-CD2 4.37Å; F872-F895 HydrophobicContact CE2-CG 4.01Å; F872-F895 HydrophobicContact CZ-CB 4.09Å; F872-F895 HydrophobicContact CZ-CD2 4.02Å; F872-F895 HydrophobicContact CZ-CG 4.11Å; F872-L897 HydrophobicContact CB-CD1 3.77Å; F872-L897 HydrophobicContact CD2-CD1 3.79Å; F872-L897 HydrophobicContact CD2-CD2 3.7Å; F872-L897 HydrophobicContact CD2-CG 4.21Å; F872-L897 HydrophobicContact CE2-CD2 4.35Å; F872-L897 HydrophobicContact CG-CD1 3.79Å; F872-L897 HydrophobicContact CG-CD2 4.45Å; F872-I924 HydrophobicContact CD1-CG1 4.34Å; F872-I924 HydrophobicContact CE1-CB 4.21Å; F872-I924 HydrophobicContact CE1-CG1 3.86Å; F872-I924 HydrophobicContact CE1-CG2 3.93Å; F872-I924 HydrophobicContact CZ-CB 4.05Å; F872-I924 HydrophobicContact CZ-CG1 3.97Å; F872-I924 HydrophobicContact CZ-CG2 4.04Å |
| 873 | R | 83.7 | Confident | 81.1 | Confident | 100 Ų | 100 | 49.2 Ų | 49.2 | 38% | 0.377 | 28% | 0.279 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.9 | 148.8 | 172.4 | 65.1 | 175.9 | -167.9 | 81.8 | 2.1 | 109.9 | R838 V881 Y882 T884 | R838-R873 PolarHBondContact O-NH2 3.38Å; R873-V881 CarbonylContact O-C 3.57Å; R873-V881 VanDerWaalsContact O-CA 3.31Å; R873-V881 WeakPolarHBondContact O-CA 3.07Å; R873-Y882 HydrophobicContact CG-CD2 4.33Å; R873-Y882 HydrophobicContact CG-CG 4.49Å; R873-Y882 PolarHBondContact N-O 2.62Å; R873-Y882 VanDerWaalsContact NH2-CD1 3.33Å; R873-Y882 VanDerWaalsContact NH2-CG 3.26Å; R873-Y882 PolarHBondContact O-N 3.33Å; R873-T884 HydrophobicContact CB-CG2 4.5Å; R873-T884 HydrophobicContact CG-CG2 4.46Å |
| 874 | I | 90.7 | Very high | 80.6 | Confident | 32 Ų | 32 | 49.7 Ų | 49.7 | 16% | 0.164 | 28% | 0.284 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.3 | 148.1 | 171.7 | -167.9 | 167.8 | 0 | 0 | 0 | 110.8 | V845 I863 A880 V881 V899 | V845-I874 HydrophobicContact CG2-CD1 3.98Å; I863-I874 HydrophobicContact CB-CG2 4.24Å; I863-I874 HydrophobicContact CD1-CB 3.76Å; I863-I874 HydrophobicContact CD1-CG2 4Å; I863-I874 HydrophobicContact CG1-CB 3.89Å; I863-I874 HydrophobicContact CG1-CG2 3.78Å; I874-A880 CarbonylContact C-O 3.55Å; I874-A880 WeakPolarHBondContact CA-O 3.38Å; I874-V881 HydrophobicContact CB-CG2 4.26Å; I874-V881 HydrophobicContact CD1-CG2 3.97Å; I874-V881 HydrophobicContact CG1-CG2 3.98Å; I874-V899 HydrophobicContact CD1-CG1 3.55Å; I874-V899 HydrophobicContact CD1-CG2 4.42Å |
| 875 | D | 82.4 | Confident | 80.5 | Confident | 62 Ų | 62 | 51.2 Ų | 51.2 | 33% | 0.332 | 29% | 0.29 | S | S | . | . | trans | -87.6 | 124.4 | 166.3 | 179.4 | 87.4 | 0 | 0 | 0 | 110.9 | K877 S878 G879 A880 Y882 | D875-K877 VanDerWaalsContact C-N 3.28Å; D875-K877 PolarHBondContact O-N 3.06Å; D875-K877 PolarHBondContact OD2-N 2.83Å; D875-S878 WeakPolarHBondContact CB-OG 3.03Å; D875-S878 WeakPolarHBondContact OD2-CB 3Å; D875-S878 PolarHBondContact OD2-N 3.22Å; D875-S878 PolarHBondContact OD2-OG 2.91Å; D875-G879 WeakPolarHBondContact O-CA 3.14Å; D875-G879 PolarHBondContact O-N 3.48Å; D875-A880 HydrophobicContact CB-CB 4.31Å; D875-A880 PolarHBondContact N-O 2.84Å; D875-Y882 HydrophobicContact CB-CE2 4.43Å | ||
| 876 | S | 86.3 | Confident | 80.9 | Confident | 68 Ų | 68 | 47.7 Ų | 47.7 | 48% | 0.476 | 27% | 0.268 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -79.6 | 0.7 | -164.9 | 66.5 | 0 | 0 | 0 | 0 | 115.9 | T860 Y861 | T860-S876 VanDerWaalsContact CA-O 3.3Å; T860-S876 WeakPolarHBondContact CA-O 3.14Å; T860-S876 WeakPolarHBondContact CB-O 3.41Å; Y861-S876 PolarHBondContact N-O 3Å; Y861-S876 VanDerWaalsContact O-CA 3.23Å; Y861-S876 WeakPolarHBondContact O-CA 3.32Å; Y861-S876 WeakPolarHBondContact O-CB 3.46Å |
| 877 | K | 81.3 | Confident | 81.4 | Confident | 101 Ų | 101 | 46.8 Ų | 46.8 | 44% | 0.439 | 25% | 0.254 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -123.4 | -23.9 | 174.4 | -83.3 | -67.2 | -176.2 | -170.7 | 0 | 113.7 | D858 I859 T860 D875 | D858-K877 PolarHBondContact O-NZ 3.39Å; D858-K877 IonicContact OD1-NZ 3.13Å; D858-K877 PolarHBondContact OD1-NZ 3.37Å; D858-K877 IonicContact OD2-NZ 3.41Å; D858-K877 PolarHBondContact OD2-NZ 3.32Å; I859-K877 WeakPolarHBondContact O-CD 3.48Å; I859-K877 PolarHBondContact O-NZ 3.26Å; T860-K877 HydrophobicContact CG2-CD 3.95Å; T860-K877 VanDerWaalsContact CG2-NZ 3.32Å; D875-K877 VanDerWaalsContact C-N 3.28Å; D875-K877 PolarHBondContact O-N 3.06Å; D875-K877 PolarHBondContact OD2-N 2.83Å |
| 878 | S | 83.8 | Confident | 81.6 | Confident | 54 Ų | 54 | 44 Ų | 44 | 38% | 0.378 | 23% | 0.232 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -97.3 | -16.5 | 172.7 | 59.4 | 0 | 0 | 0 | 0 | 114.4 | T844 D875 A880 | T844-S878 WeakPolarHBondContact CG2-O 3.35Å; D875-S878 WeakPolarHBondContact CB-OG 3.03Å; D875-S878 WeakPolarHBondContact OD2-CB 3Å; D875-S878 PolarHBondContact OD2-N 3.22Å; D875-S878 PolarHBondContact OD2-OG 2.91Å; S878-A880 PolarHBondContact O-N 3.11Å; S878-A880 WeakPolarHBondContact OG-CB 3.36Å |
| 879 | G | 85.5 | Confident | 81.5 | Confident | 0 Ų | 0 | 45.8 Ų | 45.8 | 0% | 0 | 24% | 0.236 | C | C | . | . | trans | 75.8 | 5.3 | -175.7 | 0 | 0 | 0 | 0 | 0 | 114.1 | V845 D875 V881 | V845-G879 PolarHBondContact N-O 2.96Å; D875-G879 WeakPolarHBondContact O-CA 3.14Å; D875-G879 PolarHBondContact O-N 3.48Å; G879-V881 PolarHBondContact O-N 2.7Å | ||
| 880 | A | 85.1 | Confident | 81.6 | Confident | 4 Ų | 4 | 51 Ų | 51 | 3% | 0.033 | 26% | 0.256 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -74.1 | 120.1 | -174.6 | 0 | 0 | 0 | 0 | 0 | 112.6 | P841 T844 I874 D875 S878 Y882 | P841-A880 HydrophobicContact CB-CB 3.98Å; T844-A880 HydrophobicContact CG2-CB 4.38Å; I874-A880 CarbonylContact C-O 3.55Å; I874-A880 WeakPolarHBondContact CA-O 3.38Å; D875-A880 HydrophobicContact CB-CB 4.31Å; D875-A880 PolarHBondContact N-O 2.84Å; S878-A880 PolarHBondContact O-N 3.11Å; S878-A880 WeakPolarHBondContact OG-CB 3.36Å; A880-Y882 HydrophobicContact CB-CE2 3.68Å; A880-Y882 VanDerWaalsContact O-CD2 3.29Å; A880-Y882 WeakPolarHBondContact O-CD2 3.44Å; A880-Y882 WeakPolarHBondContact O-CE2 3.47Å |
| 881 | V | 87.4 | Confident | 81 | Confident | 0 Ų | 0 | 51.3 Ų | 51.3 | 0% | 0 | 26% | 0.256 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.8 | 138.6 | 179.4 | -178.2 | 0 | 0 | 0 | 0 | 110.8 | P841 L842 V843 I863 F872 R873 I874 G879 L897 | P841-V881 CarbonylContact C-O 3.55Å; P841-V881 WeakPolarHBondContact CA-O 3.24Å; L842-V881 PolarHBondContact N-O 2.82Å; V843-V881 HydrophobicContact CG1-CB 4.02Å; V843-V881 HydrophobicContact CG1-CG2 4.32Å; V843-V881 PolarHBondContact O-N 3.38Å; I863-V881 HydrophobicContact CD1-CG1 4.45Å; F872-V881 HydrophobicContact CB-CG1 4.26Å; R873-V881 CarbonylContact O-C 3.57Å; R873-V881 VanDerWaalsContact O-CA 3.31Å; R873-V881 WeakPolarHBondContact O-CA 3.07Å; I874-V881 HydrophobicContact CB-CG2 4.26Å; I874-V881 HydrophobicContact CD1-CG2 3.97Å; I874-V881 HydrophobicContact CG1-CG2 3.98Å; G879-V881 PolarHBondContact O-N 2.7Å; V881-L897 HydrophobicContact CG1-CD1 4.19Å |
| 882 | Y | 82.9 | Confident | 80.2 | Confident | 35 Ų | 35 | 55.1 Ų | 55.1 | 14% | 0.137 | 28% | 0.277 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.6 | 141.7 | -177.4 | -54.9 | -106.3 | 0 | 0 | 0 | 111.5 | R840 P841 F872 R873 D875 A880 | R840-Y882 WeakPolarHBondContact O-CD1 3.36Å; P841-Y882 HydrophobicContact CB-CD1 4.39Å; P841-Y882 HydrophobicContact CB-CE1 4.05Å; P841-Y882 HydrophobicContact CB-CE2 4.46Å; F872-Y882 CarbonylContact C-O 3.56Å; F872-Y882 VanDerWaalsContact CA-O 3.28Å; F872-Y882 WeakPolarHBondContact CA-O 3.45Å; R873-Y882 HydrophobicContact CG-CD2 4.33Å; R873-Y882 HydrophobicContact CG-CG 4.49Å; R873-Y882 PolarHBondContact N-O 2.62Å; R873-Y882 VanDerWaalsContact NH2-CD1 3.33Å; R873-Y882 VanDerWaalsContact NH2-CG 3.26Å; R873-Y882 PolarHBondContact O-N 3.33Å; D875-Y882 HydrophobicContact CB-CE2 4.43Å; A880-Y882 HydrophobicContact CB-CE2 3.68Å; A880-Y882 VanDerWaalsContact O-CD2 3.29Å; A880-Y882 WeakPolarHBondContact O-CD2 3.44Å; A880-Y882 WeakPolarHBondContact O-CE2 3.47Å |
| 883 | A | 82.9 | Confident | 79.4 | Confident | 0 Ų | 0 | 59.5 Ų | 59.5 | 0% | 0 | 30% | 0.301 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -67.4 | 152.2 | 168.2 | 0 | 0 | 0 | 0 | 0 | 112.3 | M837 L842 F872 F887 | M837-A883 HydrophobicContact CB-CB 4.37Å; M837-A883 HydrophobicContact SD-CB 3.86Å; L842-A883 HydrophobicContact CD1-CB 4.05Å; L842-A883 HydrophobicContact CD2-CB 4.32Å; F872-A883 HydrophobicContact CD1-CB 4.38Å; F872-A883 HydrophobicContact CE1-CB 4.3Å; A883-F887 HydrophobicContact CB-CE2 4.09Å |
| 884 | T | 75.5 | Confident | 79.2 | Confident | 42 Ų | 42 | 56.7 Ų | 56.7 | 26% | 0.258 | 30% | 0.296 | S | S | . | . | S | Bend | trans | -110.6 | -13.5 | 176.2 | 72.1 | 0 | 0 | 0 | 0 | 114.3 | V834 R838 H870 L871 R873 | V834-T884 VanDerWaalsContact CG1-O 3.23Å; V834-T884 WeakPolarHBondContact CG1-O 3.07Å; R838-T884 PolarHBondContact NH2-O 2.88Å; H870-T884 PolarHBondContact O-OG1 3.48Å; L871-T884 PolarHBondContact O-N 3.26Å; L871-T884 PolarHBondContact O-OG1 2.92Å; R873-T884 HydrophobicContact CB-CG2 4.5Å; R873-T884 HydrophobicContact CG-CG2 4.46Å |
| 885 | Q | 77.1 | Confident | 78.8 | Confident | 83 Ų | 83 | 57 Ų | 57 | 39% | 0.388 | 30% | 0.296 | S | S | . | . | S | Bend | trans | -143.4 | 178.5 | -179.9 | 64.6 | 167.4 | 60.8 | 0 | 0 | 111.4 | M837 L871 F887 | M837-Q885 WeakPolarHBondContact CE-O 3.49Å; L871-Q885 HydrophobicContact CD2-CG 4.32Å; Q885-F887 HydrophobicContact CG-CE1 4.12Å; Q885-F887 HydrophobicContact CG-CZ 4Å; Q885-F887 WeakPolarHBondContact O-CE2 3.49Å |
| 886 | S | 75.9 | Confident | 78.6 | Confident | 54 Ų | 54 | 57.7 Ų | 57.7 | 38% | 0.378 | 30% | 0.303 | S | S | . | . | trans | -98.2 | 170.5 | 174.2 | 54.9 | 0 | 0 | 0 | 0 | 113.1 | Q832 | Q832-S886 WeakPolarHBondContact O-CB 3.47Š| ||
| 887 | F | 82.4 | Confident | 78.3 | Confident | 17 Ų | 17 | 54.8 Ų | 54.8 | 8% | 0.075 | 28% | 0.282 | C | S | . | . | trans | -139 | 176.3 | -172.4 | -53.8 | -76.9 | 0 | 0 | 0 | 111.5 | V828 E831 F872 A883 Q885 F895 I926 | V828-F887 HydrophobicContact CG1-CD2 3.73Å; V828-F887 HydrophobicContact CG1-CE2 4.13Å; E831-F887 PolarHBondContact N-O 3.17Å; F872-F887 HydrophobicContact CE1-CE2 4.43Å; F872-F887 HydrophobicContact CE1-CZ 4.16Å; F872-F887 HydrophobicContact CZ-CE2 4.49Å; F872-F887 AromaticContact CZ-CZ 3.89Å; F872-F887 HydrophobicContact CZ-CZ 3.89Å; A883-F887 HydrophobicContact CB-CE2 4.09Å; Q885-F887 HydrophobicContact CG-CE1 4.12Å; Q885-F887 HydrophobicContact CG-CZ 4Å; Q885-F887 WeakPolarHBondContact O-CE2 3.49Å; F887-F895 AromaticContact CD1-CE2 3.46Å; F887-F895 HydrophobicContact CD1-CE2 3.46Å; F887-F895 VanDerWaalsContact CD1-CE2 3.46Å; F887-F895 AromaticContact CD1-CZ 3.76Å; F887-F895 HydrophobicContact CD1-CZ 3.76Å; F887-F895 HydrophobicContact CE1-CD2 4.2Å; F887-F895 AromaticContact CE1-CE2 3.41Å; F887-F895 HydrophobicContact CE1-CE2 3.41Å; F887-F895 VanDerWaalsContact CE1-CE2 3.41Å; F887-F895 AromaticContact CE1-CZ 3.63Å; F887-F895 HydrophobicContact CE1-CZ 3.63Å; F887-F895 HydrophobicContact CG-CE2 4.31Å; F887-F895 HydrophobicContact CZ-CE2 4.23Å; F887-I926 HydrophobicContact CB-CD1 3.59Å; F887-I926 HydrophobicContact CB-CG1 4.05Å; F887-I926 HydrophobicContact CB-CG2 4.15Å; F887-I926 HydrophobicContact CD1-CD1 4.24Å; F887-I926 HydrophobicContact CD2-CD1 3.81Å; F887-I926 HydrophobicContact CG-CD1 3.61Å; F887-I926 HydrophobicContact CG-CG1 4.48Å | ||
| 888 | D | 73 | Confident | 78.2 | Confident | 65 Ų | 65 | 53 Ų | 53 | 35% | 0.348 | 28% | 0.277 | S | S | . | . | trans | -163.4 | 107.1 | -154.5 | 155.2 | -1.5 | 0 | 0 | 0 | 105.5 | K891 N892 | D888-K891 HydrophobicContact CB-CD 4.43Å; D888-K891 VanDerWaalsContact CG-CD 3.44Å; D888-K891 WeakPolarHBondContact OD1-CB 3.24Å; D888-K891 WeakPolarHBondContact OD2-CD 3.48Å; D888-K891 IonicContact OD2-NZ 3.35Å; D888-K891 PolarHBondContact OD2-NZ 3.07Å; D888-N892 PolarHBondContact O-N 3.35Å | ||
| 889 | R | 74.6 | Confident | 78.3 | Confident | 50 Ų | 50 | 50.4 Ų | 50.4 | 19% | 0.189 | 26% | 0.259 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -76.2 | -38.8 | -159.3 | 175.9 | 158.7 | 135.2 | 146.8 | -17.9 | 113.5 | E830 K891 N892 I926 D928 D966 | E830-R889 WeakPolarHBondContact OE2-CB 3.35Å; E830-R889 PolarHBondContact OE2-N 3.3Å; R889-K891 PolarHBondContact O-N 3.05Å; R889-N892 PolarHBondContact O-N 2.95Å; R889-I926 HydrophobicContact CB-CG2 4.08Å; R889-D928 VanDerWaalsContact CD-OD1 3.3Å; R889-D928 WeakPolarHBondContact CD-OD1 3.39Å; R889-D928 VanDerWaalsContact CZ-CB 3.41Å; R889-D928 IonicContact CZ-OD1 3.9Å; R889-D928 VanDerWaalsContact CZ-OD1 3.27Å; R889-D928 IonicContact CZ-OD2 3.89Å; R889-D928 IonicContact NE-OD1 3.36Å; R889-D928 PolarHBondContact NE-OD1 3.27Å; R889-D928 IonicContact NE-OD2 3.07Å; R889-D928 IonicContact NH2-OD1 3.29Å; R889-D928 PolarHBondContact NH2-OD1 2.83Å; R889-D928 IonicContact NH2-OD2 3.71Å; R889-D928 PolarHBondContact NH2-OD2 3.12Å; R889-D966 IonicContact NH2-OD2 2.72Å; R889-D966 PolarHBondContact NH2-OD2 3.06Å |
| 890 | E | 74.4 | Confident | 78.3 | Confident | 143 Ų | 143 | 51.1 Ų | 51.1 | 67% | 0.668 | 26% | 0.262 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -64.8 | 1.3 | -178.6 | -74.8 | 51.8 | -101.7 | 0 | 0 | 113.1 | ||
| 891 | K | 63.1 | Low | 78.3 | Confident | 143 Ų | 143 | 51 Ų | 51 | 62% | 0.622 | 26% | 0.261 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -129.8 | -39.3 | -170.9 | -178.7 | -175.6 | -176.6 | 173.9 | 0 | 113.1 | D888 R889 | D888-K891 HydrophobicContact CB-CD 4.43Å; D888-K891 VanDerWaalsContact CG-CD 3.44Å; D888-K891 WeakPolarHBondContact OD1-CB 3.24Å; D888-K891 WeakPolarHBondContact OD2-CD 3.48Å; D888-K891 IonicContact OD2-NZ 3.35Å; D888-K891 PolarHBondContact OD2-NZ 3.07Å; R889-K891 PolarHBondContact O-N 3.05Å |
| 892 | N | 66.7 | Low | 78.1 | Confident | 96 Ų | 96 | 52 Ų | 52 | 51% | 0.513 | 27% | 0.266 | S | S | . | . | trans | -155.7 | 115.1 | 174.9 | -85.4 | 119.9 | 0 | 0 | 0 | 111.6 | D888 R889 I926 | D888-N892 PolarHBondContact O-N 3.35Å; R889-N892 PolarHBondContact O-N 2.95Å; N892-I926 WeakPolarHBondContact O-CG1 3.19Å | ||
| 893 | D | 73.2 | Confident | 78.1 | Confident | 101 Ų | 101 | 50.4 Ų | 50.4 | 54% | 0.54 | 26% | 0.259 | S | S | . | . | trans | -86.1 | -20.7 | -174.1 | 66.8 | -1.8 | 0 | 0 | 0 | 115.5 | I926 | D893-I926 WeakPolarHBondContact O-CG1 3.39Å; D893-I926 PolarHBondContact O-N 3.2Å | ||
| 894 | S | 79.2 | Confident | 77.8 | Confident | 40 Ų | 40 | 54 Ų | 54 | 28% | 0.28 | 28% | 0.279 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -161.1 | 160.1 | -166.9 | 63.7 | 0 | 0 | 0 | 0 | 115.9 | I924 | S894-I924 CarbonylContact C-O 3.52Å; S894-I924 VanDerWaalsContact CA-O 3.23Å; S894-I924 WeakPolarHBondContact CA-O 3.43Å |
| 895 | F | 81.3 | Confident | 77.7 | Confident | 38 Ų | 38 | 52.5 Ų | 52.5 | 17% | 0.167 | 27% | 0.27 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -142.8 | 156.1 | 177.3 | -60.6 | -85 | 0 | 0 | 0 | 111.6 | A868 L871 F872 F887 Q923 I924 I926 | A868-F895 HydrophobicContact CB-CB 4.38Å; A868-F895 HydrophobicContact CB-CD1 4.06Å; L871-F895 HydrophobicContact CD1-CD1 3.78Å; L871-F895 HydrophobicContact CD1-CE1 3.51Å; L871-F895 HydrophobicContact CD1-CZ 4.16Å; F872-F895 HydrophobicContact CE2-CB 3.86Å; F872-F895 HydrophobicContact CE2-CD2 4.37Å; F872-F895 HydrophobicContact CE2-CG 4.01Å; F872-F895 HydrophobicContact CZ-CB 4.09Å; F872-F895 HydrophobicContact CZ-CD2 4.02Å; F872-F895 HydrophobicContact CZ-CG 4.11Å; F887-F895 AromaticContact CD1-CE2 3.46Å; F887-F895 HydrophobicContact CD1-CE2 3.46Å; F887-F895 VanDerWaalsContact CD1-CE2 3.46Å; F887-F895 AromaticContact CD1-CZ 3.76Å; F887-F895 HydrophobicContact CD1-CZ 3.76Å; F887-F895 HydrophobicContact CE1-CD2 4.2Å; F887-F895 AromaticContact CE1-CE2 3.41Å; F887-F895 HydrophobicContact CE1-CE2 3.41Å; F887-F895 VanDerWaalsContact CE1-CE2 3.41Å; F887-F895 AromaticContact CE1-CZ 3.63Å; F887-F895 HydrophobicContact CE1-CZ 3.63Å; F887-F895 HydrophobicContact CG-CE2 4.31Å; F887-F895 HydrophobicContact CZ-CE2 4.23Å; F895-Q923 CarbonylContact O-C 3.58Å; F895-Q923 WeakPolarHBondContact O-CA 3.29Å; F895-I924 HydrophobicContact CB-CB 4.46Å; F895-I924 PolarHBondContact N-O 3.2Å; F895-I924 PolarHBondContact O-N 3.03Å; F895-I926 HydrophobicContact CD2-CD1 4.41Å; F895-I926 HydrophobicContact CE2-CD1 4.15Å; F895-I926 HydrophobicContact CE2-CG1 4.48Å |
| 896 | V | 79.1 | Confident | 77.6 | Confident | 77 Ų | 77 | 53 Ų | 53 | 47% | 0.467 | 28% | 0.281 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.9 | 143.1 | 176.2 | -176.5 | 0 | 0 | 0 | 0 | 111.6 | K921 V922 Q923 | V896-K921 HydrophobicContact CG1-CD 4.48Å; V896-V922 CarbonylContact C-O 3.44Å; V896-V922 WeakPolarHBondContact CA-O 3.33Å; V896-Q923 HydrophobicContact CG2-CB 4.37Å; V896-Q923 HydrophobicContact CG2-CG 4.17Å |
| 897 | L | 81 | Confident | 77.6 | Confident | 7 Ų | 7 | 51.1 Ų | 51.1 | 4% | 0.037 | 27% | 0.268 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.2 | 154.3 | -178.1 | -48.5 | 170.5 | 0 | 0 | 0 | 111 | I863 A868 F872 V881 K921 V922 | I863-L897 HydrophobicContact CD1-CD1 4.28Å; A868-L897 HydrophobicContact CB-CD2 3.96Å; F872-L897 HydrophobicContact CB-CD1 3.77Å; F872-L897 HydrophobicContact CD2-CD1 3.79Å; F872-L897 HydrophobicContact CD2-CD2 3.7Å; F872-L897 HydrophobicContact CD2-CG 4.21Å; F872-L897 HydrophobicContact CE2-CD2 4.35Å; F872-L897 HydrophobicContact CG-CD1 3.79Å; F872-L897 HydrophobicContact CG-CD2 4.45Å; V881-L897 HydrophobicContact CG1-CD1 4.19Å; L897-K921 WeakPolarHBondContact O-CA 3.41Å; L897-V922 HydrophobicContact CB-CB 4.3Å; L897-V922 PolarHBondContact N-O 3.43Å; L897-V922 PolarHBondContact O-N 3.14Å |
| 898 | D | 78.1 | Confident | 77.1 | Confident | 63 Ų | 63 | 54.4 Ų | 54.4 | 34% | 0.337 | 29% | 0.286 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.6 | 135.7 | 170.4 | -67.5 | -42.7 | 0 | 0 | 0 | 110.3 | I863 L864 K921 | I863-D898 CarbonylContact C-O 3.48Å; I863-D898 WeakPolarHBondContact CA-O 3.46Å; L864-D898 HydrophobicContact CB-CB 4.16Å; L864-D898 HydrophobicContact CD1-CB 4.26Å; L864-D898 PolarHBondContact N-O 3.08Å; D898-K921 WeakPolarHBondContact OD1-CG 3.5Å; D898-K921 IonicContact OD1-NZ 2.73Å; D898-K921 PolarHBondContact OD1-NZ 3.03Å; D898-K921 IonicContact OD2-NZ 2.65Å |
| 899 | V | 85.6 | Confident | 76.9 | Confident | 0 Ų | 0 | 54.3 Ų | 54.3 | 0% | 0 | 29% | 0.285 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.6 | 127.2 | -175.6 | -178.2 | 0 | 0 | 0 | 0 | 111.6 | F819 V845 K862 I863 I874 I919 T920 V922 | F819-V899 WeakPolarHBondContact CE2-O 3.46Å; F819-V899 HydrophobicContact CZ-CG1 4.28Å; V845-V899 HydrophobicContact CG2-CG1 3.87Å; K862-V899 CarbonylContact O-C 3.43Å; K862-V899 WeakPolarHBondContact O-CA 3.35Å; I863-V899 HydrophobicContact CG1-CG2 3.84Å; I874-V899 HydrophobicContact CD1-CG1 3.55Å; I874-V899 HydrophobicContact CD1-CG2 4.42Å; V899-I919 CarbonylContact O-C 3.53Å; V899-I919 WeakPolarHBondContact O-CA 3.33Å; V899-T920 HydrophobicContact CB-CG2 4.22Å; V899-T920 PolarHBondContact N-O 2.78Å; V899-T920 PolarHBondContact O-N 3.5Å; V899-V922 HydrophobicContact CB-CG2 4.32Å; V899-V922 HydrophobicContact CG2-CG2 3.59Å |
| 900 | Q | 85.1 | Confident | 75.9 | Confident | 16 Ų | 16 | 57.5 Ų | 57.5 | 8% | 0.075 | 31% | 0.312 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.6 | 140.9 | -179.6 | -161.5 | -137.5 | -70.8 | 0 | 0 | 111.5 | Y861 K862 L864 E902 D918 I919 | Y861-Q900 CarbonylContact C-O 3.59Å; Y861-Q900 WeakPolarHBondContact CA-O 3.18Å; K862-Q900 HydrophobicContact CG-CB 4.09Å; K862-Q900 PolarHBondContact N-O 2.72Å; K862-Q900 PolarHBondContact O-N 3.17Å; L864-Q900 HydrophobicContact CD1-CB 4.49Å; L864-Q900 HydrophobicContact CD2-CB 4.14Å; L864-Q900 HydrophobicContact CG-CB 4.39Å; Q900-E902 PolarHBondContact NE2-OE2 2.68Å; Q900-D918 CarbonylContact C-O 3.36Å; Q900-D918 VanDerWaalsContact CA-O 3.27Å; Q900-D918 WeakPolarHBondContact CA-O 3.33Å; Q900-D918 WeakPolarHBondContact CG-O 3.26Å; Q900-I919 HydrophobicContact CB-CG1 4.03Å; Q900-I919 HydrophobicContact CG-CD1 4.31Å; Q900-I919 HydrophobicContact CG-CG1 3.66Å |
| 901 | A | 85.5 | Confident | 75 | Confident | 0 Ų | 0 | 53.7 Ų | 53.7 | 0% | 0 | 31% | 0.311 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.3 | 154.1 | 164.4 | 0 | 0 | 0 | 0 | 0 | 111.3 | F819 A847 I859 T860 Y861 R917 D918 | F819-A901 HydrophobicContact CD2-CB 4.45Å; F819-A901 HydrophobicContact CE1-CB 4.2Å; F819-A901 HydrophobicContact CE2-CB 3.7Å; F819-A901 HydrophobicContact CZ-CB 3.56Å; A847-A901 HydrophobicContact CB-CB 4.02Å; I859-A901 HydrophobicContact CG2-CB 4.11Å; T860-A901 CarbonylContact O-C 3.6Å; T860-A901 VanDerWaalsContact O-CA 3.27Å; T860-A901 WeakPolarHBondContact O-CA 3.37Å; Y861-A901 HydrophobicContact CD1-CB 4.14Å; Y861-A901 HydrophobicContact CE1-CB 4.16Å; A901-R917 WeakPolarHBondContact O-CA 3.34Å; A901-D918 PolarHBondContact N-O 2.65Å; A901-D918 PolarHBondContact O-N 3.21Å |
| 902 | E | 84.4 | Confident | 74.6 | Confident | 23 Ų | 23 | 49 Ų | 49 | 11% | 0.107 | 30% | 0.299 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -152.9 | 138.9 | 167.7 | 58.3 | -159.2 | 178.5 | 0 | 0 | 113.4 | I859 T860 K862 Q900 N904 P915 N916 R917 | I859-E902 CarbonylContact C-O 3.58Å; I859-E902 VanDerWaalsContact CA-O 3.28Å; I859-E902 WeakPolarHBondContact CA-O 3.28Å; T860-E902 PolarHBondContact N-O 2.84Å; T860-E902 PolarHBondContact O-N 3.13Å; T860-E902 VanDerWaalsContact OG1-CG 3.26Å; T860-E902 WeakPolarHBondContact OG1-CG 3.28Å; T860-E902 PolarHBondContact OG1-O 3.2Å; K862-E902 IonicContact NZ-OE1 3.67Å; K862-E902 PolarHBondContact NZ-OE1 3.15Å; K862-E902 IonicContact NZ-OE2 3.59Å; K862-E902 PolarHBondContact NZ-OE2 3.25Å; Q900-E902 PolarHBondContact NE2-OE2 2.68Å; E902-N904 PolarHBondContact O-ND2 2.96Å; E902-P915 HydrophobicContact CB-CB 4.37Å; E902-N916 VanDerWaalsContact CA-O 3.23Å; E902-N916 WeakPolarHBondContact CA-O 3.36Å; E902-R917 HydrophobicContact CB-CG 3.95Å; E902-R917 IonicContact OE2-CZ 2.73Å; E902-R917 IonicContact OE2-NE 3.64Å; E902-R917 IonicContact OE2-NH1 3.48Å; E902-R917 PolarHBondContact OE2-NH1 2.72Å; E902-R917 IonicContact OE2-NH2 3.6Å; E902-R917 PolarHBondContact OE2-NH2 2.69Å |
| 903 | D | 81.2 | Confident | 73.9 | Confident | 0 Ų | 0 | 56.2 Ų | 56.2 | 0% | 0 | 32% | 0.319 | C | S | . | . | trans | -70.5 | -27.5 | -175.3 | 65.9 | -16.3 | 0 | 0 | 0 | 114.3 | N813 P817 D858 A905 P915 N916 | N813-D903 PolarHBondContact ND2-OD2 2.86Å; P817-D903 HydrophobicContact CG-CB 4.13Å; D858-D903 CarbonylContact C-O 3.52Å; D858-D903 VanDerWaalsContact C-O 3.3Å; D858-D903 PolarHBondContact N-O 2.93Å; D903-A905 VanDerWaalsContact C-N 3.28Å; D903-A905 PolarHBondContact O-N 2.96Å; D903-A905 PolarHBondContact OD1-N 3.15Å; D903-P915 VanDerWaalsContact OD1-C 3.3Å; D903-P915 WeakPolarHBondContact OD1-CA 3.22Å; D903-P915 WeakPolarHBondContact OD1-CB 3.3Å; D903-N916 HydrophobicContact CB-CB 4.39Å; D903-N916 VanDerWaalsContact CG-N 3.33Å; D903-N916 PolarHBondContact N-O 3.16Å; D903-N916 VanDerWaalsContact N-O 3.14Å; D903-N916 PolarHBondContact OD1-N 2.74Å; D903-N916 WeakPolarHBondContact OD2-CB 3.46Å; D903-N916 PolarHBondContact OD2-N 2.84Å; D903-N916 PolarHBondContact OD2-ND2 3.31Å | ||
| 904 | N | 78 | Confident | 73.8 | Confident | 77 Ų | 77 | 52.9 Ų | 52.9 | 41% | 0.412 | 31% | 0.309 | S | S | . | . | trans | 71.9 | 1.7 | -175.1 | -55.8 | -84.9 | 0 | 0 | 0 | 116.3 | D858 T860 E902 | D858-N904 PolarHBondContact O-ND2 3.2Å; T860-N904 PolarHBondContact OG1-ND2 3.11Å; E902-N904 PolarHBondContact O-ND2 2.96Å | ||
| 905 | A | 73.8 | Confident | 73.8 | Confident | 9 Ų | 9 | 52.7 Ų | 52.7 | 7% | 0.074 | 31% | 0.307 | C | S | . | . | S | Bend | trans | -85.3 | 171.6 | 170.8 | 0 | 0 | 0 | 0 | 0 | 112.2 | N813 F856 D903 G914 P915 | N813-A905 WeakPolarHBondContact ND2-CB 3.43Å; N813-A905 WeakPolarHBondContact OD1-CB 3.39Å; F856-A905 HydrophobicContact CD1-CB 3.8Å; F856-A905 HydrophobicContact CE1-CB 4.44Å; D903-A905 VanDerWaalsContact C-N 3.28Å; D903-A905 PolarHBondContact O-N 2.96Å; D903-A905 PolarHBondContact OD1-N 3.15Å; A905-G914 CarbonylContact O-C 3.52Å; A905-P915 WeakPolarHBondContact O-CA 3.49Å; A905-P915 WeakPolarHBondContact O-CB 3.36Å |
| 906 | P | 73.2 | Confident | 73.7 | Confident | 94 Ų | 94 | 51.3 Ų | 51.3 | 61% | 0.61 | 30% | 0.301 | S | S | * | . | P | Polyproline II helix | trans | -82.3 | 120.6 | 163.1 | -7.2 | 26.1 | 0 | 0 | 0 | 109.4 | N813 D908 | N813-P906 VanDerWaalsContact ND2-C 3.31Å; N813-P906 PolarHBondContact ND2-O 2.67Å; P906-D908 PolarHBondContact O-N 2.77Å |
| 907 | S | 76.2 | Confident | 73.7 | Confident | 15 Ų | 15 | 53.7 Ų | 53.7 | 11% | 0.105 | 30% | 0.302 | C | S | . | . | P | Polyproline II helix | trans | -55.2 | 129.2 | 171.4 | -171.4 | 0 | 0 | 0 | 0 | 112 | N813 L909 A912 G914 N916 | N813-S907 WeakPolarHBondContact ND2-CA 3.18Å; N813-S907 PolarHBondContact ND2-N 2.77Å; S907-L909 VanDerWaalsContact C-N 3.33Å; S907-L909 WeakPolarHBondContact OG-CB 3.38Å; S907-L909 PolarHBondContact OG-N 3.35Å; S907-A912 WeakPolarHBondContact OG-CB 3.49Å; S907-G914 VanDerWaalsContact CB-O 3.28Å; S907-G914 WeakPolarHBondContact CB-O 3.37Å; S907-G914 PolarHBondContact N-O 2.68Å; S907-N916 WeakPolarHBondContact CB-OD1 3.39Å; S907-N916 PolarHBondContact OG-OD1 3.16Å |
| 908 | D | 72.8 | Confident | 73.8 | Confident | 86 Ų | 86 | 55.6 Ų | 55.6 | 46% | 0.46 | 31% | 0.312 | S | S | . | . | trans | -86.4 | -5.2 | 169.1 | -78.7 | -42.2 | 0 | 0 | 0 | 111.7 | K812 N813 P906 | K812-D908 HydrophobicContact CB-CB 4.29Å; K812-D908 WeakPolarHBondContact CD-OD2 3.3Å; N813-D908 HydrophobicContact CB-CB 4.48Å; N813-D908 PolarHBondContact N-OD2 3.35Å; N813-D908 PolarHBondContact O-N 2.96Å; P906-D908 PolarHBondContact O-N 2.77Å | ||
| 909 | L | 68.9 | Low | 73.9 | Confident | 62 Ų | 62 | 57.2 Ų | 57.2 | 33% | 0.325 | 32% | 0.32 | S | S | . | . | S | Bend | trans | -59 | 136.9 | 177.5 | -74 | 169.1 | 0 | 0 | 0 | 112.4 | D814 V816 S907 G911 A912 | D814-L909 HydrophobicContact CB-CD2 4.11Å; D814-L909 HydrophobicContact CB-CG 4.36Å; D814-L909 WeakPolarHBondContact O-CD2 3.46Å; V816-L909 HydrophobicContact CG1-CD1 3.85Å; S907-L909 VanDerWaalsContact C-N 3.33Å; S907-L909 WeakPolarHBondContact OG-CB 3.38Å; S907-L909 PolarHBondContact OG-N 3.35Å; L909-G911 PolarHBondContact O-N 2.93Å; L909-G911 VanDerWaalsContact O-N 3.09Å; L909-A912 HydrophobicContact CB-CB 4.06Å; L909-A912 WeakPolarHBondContact O-CB 3.43Å; L909-A912 PolarHBondContact O-N 3.28Å |
| 910 | P | 52.2 | Low | 73.7 | Confident | 117 Ų | 117 | 57.3 Ų | 57.3 | 76% | 0.76 | 32% | 0.32 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -52.8 | 116.2 | -179.3 | -29.7 | 36.1 | 0 | 0 | 0 | 114.1 | A912 | P910-A912 VanDerWaalsContact C-N 3.32Å; P910-A912 PolarHBondContact O-N 2.76Å |
| 911 | G | 56.3 | Low | 73.4 | Confident | 63 Ų | 63 | 60.3 Ų | 60.3 | 65% | 0.649 | 33% | 0.333 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 86.1 | -10.9 | 176.6 | 0 | 0 | 0 | 0 | 0 | 115.6 | L909 | L909-G911 PolarHBondContact O-N 2.93Å; L909-G911 VanDerWaalsContact O-N 3.09Å |
| 912 | A | 54.1 | Low | 73.2 | Confident | 44 Ų | 44 | 60.3 Ų | 60.3 | 36% | 0.364 | 33% | 0.333 | S | S | . | . | trans | -64.9 | 156.2 | 173.9 | 0 | 0 | 0 | 0 | 0 | 111.9 | S907 L909 P910 | S907-A912 WeakPolarHBondContact OG-CB 3.49Å; L909-A912 HydrophobicContact CB-CB 4.06Å; L909-A912 WeakPolarHBondContact O-CB 3.43Å; L909-A912 PolarHBondContact O-N 3.28Å; P910-A912 VanDerWaalsContact C-N 3.32Å; P910-A912 PolarHBondContact O-N 2.76Å | ||
| 913 | R | 53.2 | Low | 73.1 | Confident | 248 Ų | 248 | 61.2 Ų | 61.2 | 94% | 0.936 | 34% | 0.337 | S | S | * | . | trans | -146.8 | 106.4 | 177.6 | -73.1 | -168.9 | 176.4 | -177.9 | 0.4 | 112 | ||||
| 914 | G | 70.7 | Confident | 73.2 | Confident | 32 Ų | 32 | 61.2 Ų | 61.2 | 33% | 0.33 | 34% | 0.337 | S | S | . | . | S | Bend | trans | 98.8 | -161.5 | -175.3 | 0 | 0 | 0 | 0 | 0 | 111.3 | A905 S907 | A905-G914 CarbonylContact O-C 3.52Å; S907-G914 VanDerWaalsContact CB-O 3.28Å; S907-G914 WeakPolarHBondContact CB-O 3.37Å; S907-G914 PolarHBondContact N-O 2.68Å |
| 915 | P | 79 | Confident | 73.1 | Confident | 35 Ų | 35 | 60.8 Ų | 60.8 | 23% | 0.227 | 34% | 0.335 | C | S | . | . | trans | -71.8 | 145.2 | -172.6 | 26.8 | -35 | 0 | 0 | 0 | 114.6 | E902 D903 A905 R917 | E902-P915 HydrophobicContact CB-CB 4.37Å; D903-P915 VanDerWaalsContact OD1-C 3.3Å; D903-P915 WeakPolarHBondContact OD1-CA 3.22Å; D903-P915 WeakPolarHBondContact OD1-CB 3.3Å; A905-P915 WeakPolarHBondContact O-CA 3.49Å; A905-P915 WeakPolarHBondContact O-CB 3.36Å; P915-R917 WeakPolarHBondContact O-CD 3.35Å; P915-R917 WeakPolarHBondContact O-CG 3.2Å; P915-R917 PolarHBondContact O-NE 2.78Å | ||
| 916 | N | 79.5 | Confident | 73.4 | Confident | 10 Ų | 10 | 60.7 Ų | 60.7 | 5% | 0.053 | 33% | 0.333 | C | S | . | . | trans | -63.9 | 143.1 | 168.6 | -66.8 | -41 | 0 | 0 | 0 | 109.9 | N813 N815 V816 E902 D903 S907 | N813-N916 PolarHBondContact ND2-ND2 3.29Å; N813-N916 VanDerWaalsContact ND2-ND2 3.15Å; N813-N916 PolarHBondContact O-ND2 2.89Å; N815-N916 PolarHBondContact O-ND2 2.96Å; V816-N916 HydrophobicContact CB-CB 4.09Å; V816-N916 HydrophobicContact CG1-CB 3.93Å; E902-N916 VanDerWaalsContact CA-O 3.23Å; E902-N916 WeakPolarHBondContact CA-O 3.36Å; D903-N916 HydrophobicContact CB-CB 4.39Å; D903-N916 VanDerWaalsContact CG-N 3.33Å; D903-N916 PolarHBondContact N-O 3.16Å; D903-N916 VanDerWaalsContact N-O 3.14Å; D903-N916 PolarHBondContact OD1-N 2.74Å; D903-N916 WeakPolarHBondContact OD2-CB 3.46Å; D903-N916 PolarHBondContact OD2-N 2.84Å; D903-N916 PolarHBondContact OD2-ND2 3.31Å; S907-N916 WeakPolarHBondContact CB-OD1 3.39Å; S907-N916 PolarHBondContact OG-OD1 3.16Å | ||
| 917 | R | 79.8 | Confident | 72.9 | Confident | 126 Ų | 126 | 60.3 Ų | 60.3 | 48% | 0.475 | 32% | 0.323 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -148.4 | 145 | -161.8 | -71.8 | 156.5 | -178.3 | -82.9 | -20.1 | 112.1 | A901 E902 P915 | A901-R917 WeakPolarHBondContact O-CA 3.34Å; E902-R917 HydrophobicContact CB-CG 3.95Å; E902-R917 IonicContact OE2-CZ 2.73Å; E902-R917 IonicContact OE2-NE 3.64Å; E902-R917 IonicContact OE2-NH1 3.48Å; E902-R917 PolarHBondContact OE2-NH1 2.72Å; E902-R917 IonicContact OE2-NH2 3.6Å; E902-R917 PolarHBondContact OE2-NH2 2.69Å; P915-R917 WeakPolarHBondContact O-CD 3.35Å; P915-R917 WeakPolarHBondContact O-CG 3.2Å; P915-R917 PolarHBondContact O-NE 2.78Å |
| 918 | D | 82.7 | Confident | 72.4 | Confident | 47 Ų | 47 | 61.7 Ų | 61.7 | 25% | 0.251 | 33% | 0.329 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -140.6 | 160.5 | 172.8 | -167.7 | 14.8 | 0 | 0 | 0 | 111.3 | P817 K818 F819 Q900 A901 | P817-D918 WeakPolarHBondContact O-CB 3.48Å; K818-D918 WeakPolarHBondContact CA-OD2 3.05Å; F819-D918 HydrophobicContact CD2-CB 3.99Å; F819-D918 WeakPolarHBondContact CD2-OD2 3.21Å; F819-D918 HydrophobicContact CE2-CB 4.33Å; F819-D918 PolarHBondContact N-OD2 2.86Å; Q900-D918 CarbonylContact C-O 3.36Å; Q900-D918 VanDerWaalsContact CA-O 3.27Å; Q900-D918 WeakPolarHBondContact CA-O 3.33Å; Q900-D918 WeakPolarHBondContact CG-O 3.26Å; A901-D918 PolarHBondContact N-O 2.65Å; A901-D918 PolarHBondContact O-N 3.21Å |
| 919 | I | 80 | Confident | 72 | Confident | 97 Ų | 97 | 62 Ų | 62 | 50% | 0.497 | 33% | 0.33 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -139 | 126.2 | -178.7 | -60.7 | 171.5 | 0 | 0 | 0 | 111.3 | L864 V899 Q900 | L864-I919 HydrophobicContact CD1-CD1 4.09Å; L864-I919 HydrophobicContact CD1-CG2 4.39Å; V899-I919 CarbonylContact O-C 3.53Å; V899-I919 WeakPolarHBondContact O-CA 3.33Å; Q900-I919 HydrophobicContact CB-CG1 4.03Å; Q900-I919 HydrophobicContact CG-CD1 4.31Å; Q900-I919 HydrophobicContact CG-CG1 3.66Å |
| 920 | T | 81.7 | Confident | 71.7 | Confident | 2 Ų | 2 | 62.2 Ų | 62.2 | 1% | 0.012 | 33% | 0.331 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.3 | 160.5 | 176 | -172 | 0 | 0 | 0 | 0 | 111.7 | F819 L821 D822 F824 V845 V899 | F819-T920 HydrophobicContact CD1-CG2 3.68Å; F819-T920 HydrophobicContact CD2-CG2 3.69Å; F819-T920 HydrophobicContact CE1-CG2 3.66Å; F819-T920 HydrophobicContact CE2-CG2 3.66Å; F819-T920 HydrophobicContact CG-CG2 3.7Å; F819-T920 HydrophobicContact CZ-CG2 3.64Å; L821-T920 PolarHBondContact O-OG1 3.25Å; D822-T920 VanDerWaalsContact C-OG1 3.27Å; D822-T920 PolarHBondContact O-OG1 3.46Å; D822-T920 VanDerWaalsContact O-OG1 3.08Å; F824-T920 HydrophobicContact CD2-CG2 3.8Å; F824-T920 WeakPolarHBondContact CD2-OG1 3.32Å; F824-T920 HydrophobicContact CE2-CG2 3.82Å; V845-T920 HydrophobicContact CG1-CG2 4.23Å; V899-T920 HydrophobicContact CB-CG2 4.22Å; V899-T920 PolarHBondContact N-O 2.78Å; V899-T920 PolarHBondContact O-N 3.5Å |
| 921 | K | 77.2 | Confident | 72.4 | Confident | 79 Ų | 79 | 62.4 Ų | 62.4 | 34% | 0.343 | 33% | 0.326 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.5 | 147.3 | 172.3 | -75.9 | -170.4 | -180 | -63.7 | 0 | 112 | D822 K823 F824 V896 L897 D898 | D822-K921 PolarHBondContact O-N 2.86Å; K823-K921 CarbonylContact C-O 3.47Å; K823-K921 WeakPolarHBondContact CA-O 3.2Å; F824-K921 PolarHBondContact N-O 2.79Å; V896-K921 HydrophobicContact CG1-CD 4.48Å; L897-K921 WeakPolarHBondContact O-CA 3.41Å; D898-K921 WeakPolarHBondContact OD1-CG 3.5Å; D898-K921 IonicContact OD1-NZ 2.73Å; D898-K921 PolarHBondContact OD1-NZ 3.03Å; D898-K921 IonicContact OD2-NZ 2.65Å |
| 922 | V | 81.7 | Confident | 72.9 | Confident | 0 Ų | 0 | 62 Ų | 62 | 0% | 0 | 31% | 0.309 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.9 | 115.6 | 174.8 | -174.4 | 0 | 0 | 0 | 0 | 110.1 | F824 V843 V845 V896 L897 V899 I924 | F824-V922 HydrophobicContact CB-CG2 4.34Å; F824-V922 CarbonylContact O-C 3.54Å; F824-V922 VanDerWaalsContact O-CA 3.3Å; F824-V922 WeakPolarHBondContact O-CA 3.45Å; V843-V922 HydrophobicContact CG1-CG1 3.48Å; V843-V922 VanDerWaalsContact CG1-CG1 3.48Å; V845-V922 HydrophobicContact CG1-CG2 3.7Å; V896-V922 CarbonylContact C-O 3.44Å; V896-V922 WeakPolarHBondContact CA-O 3.33Å; L897-V922 HydrophobicContact CB-CB 4.3Å; L897-V922 PolarHBondContact N-O 3.43Å; L897-V922 PolarHBondContact O-N 3.14Å; V899-V922 HydrophobicContact CB-CG2 4.32Å; V899-V922 HydrophobicContact CG2-CG2 3.59Å; V922-I924 HydrophobicContact CG1-CD1 4.05Å |
| 923 | Q | 83.1 | Confident | 73.6 | Confident | 43 Ų | 43 | 62.2 Ų | 62.2 | 20% | 0.201 | 31% | 0.311 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.7 | 138.7 | 172 | -174.2 | 169.3 | 5.5 | 0 | 0 | 110.3 | F824 T825 G826 F895 V896 L925 | F824-Q923 PolarHBondContact O-N 2.94Å; T825-Q923 CarbonylContact C-O 3.55Å; T825-Q923 WeakPolarHBondContact CA-O 3.27Å; G826-Q923 PolarHBondContact N-O 2.86Å; F895-Q923 CarbonylContact O-C 3.58Å; F895-Q923 WeakPolarHBondContact O-CA 3.29Å; V896-Q923 HydrophobicContact CG2-CB 4.37Å; V896-Q923 HydrophobicContact CG2-CG 4.17Å; Q923-L925 HydrophobicContact CG-CD2 4.06Å |
| 924 | I | 83.1 | Confident | 75 | Confident | 0 Ų | 0 | 51 Ų | 51 | 0% | 0 | 27% | 0.27 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.4 | 130.5 | 174.1 | -54.5 | -61.2 | 0 | 0 | 0 | 108.5 | G826 V828 L842 V843 F872 S894 F895 V922 | G826-I924 CarbonylContact O-C 3.51Å; G826-I924 VanDerWaalsContact O-CA 3.3Å; G826-I924 WeakPolarHBondContact O-CA 3.28Å; V828-I924 HydrophobicContact CG1-CG2 4.21Å; L842-I924 HydrophobicContact CB-CD1 4.01Å; L842-I924 HydrophobicContact CD1-CD1 3.79Å; L842-I924 HydrophobicContact CD1-CG1 4.2Å; L842-I924 HydrophobicContact CD1-CG2 3.96Å; V843-I924 HydrophobicContact CG1-CD1 3.97Å; F872-I924 HydrophobicContact CD1-CG1 4.34Å; F872-I924 HydrophobicContact CE1-CB 4.21Å; F872-I924 HydrophobicContact CE1-CG1 3.86Å; F872-I924 HydrophobicContact CE1-CG2 3.93Å; F872-I924 HydrophobicContact CZ-CB 4.05Å; F872-I924 HydrophobicContact CZ-CG1 3.97Å; F872-I924 HydrophobicContact CZ-CG2 4.04Å; S894-I924 CarbonylContact C-O 3.52Å; S894-I924 VanDerWaalsContact CA-O 3.23Å; S894-I924 WeakPolarHBondContact CA-O 3.43Å; F895-I924 HydrophobicContact CB-CB 4.46Å; F895-I924 PolarHBondContact N-O 3.2Å; F895-I924 PolarHBondContact O-N 3.03Å; V922-I924 HydrophobicContact CG1-CD1 4.05Å |
| 925 | L | 75.2 | Confident | 75.3 | Confident | 68 Ų | 68 | 55.3 Ų | 55.3 | 36% | 0.356 | 28% | 0.277 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.6 | 145.9 | -179.6 | -56.8 | 176.6 | 0 | 0 | 0 | 111.6 | T825 G826 S827 V828 Q923 | T825-L925 HydrophobicContact CG2-CD1 3.92Å; T825-L925 HydrophobicContact CG2-CG 4.18Å; G826-L925 PolarHBondContact O-N 2.81Å; S827-L925 CarbonylContact C-O 3.57Å; S827-L925 VanDerWaalsContact CA-O 3.3Å; S827-L925 WeakPolarHBondContact CA-O 3.35Å; V828-L925 PolarHBondContact N-O 2.9Å; Q923-L925 HydrophobicContact CG-CD2 4.06Å |
| 926 | I | 80.7 | Confident | 75.3 | Confident | 6 Ų | 6 | 55 Ų | 55 | 3% | 0.031 | 27% | 0.273 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.5 | 132.3 | 175.2 | -47.8 | -50.1 | 0 | 0 | 0 | 109.8 | V828 E830 F887 R889 N892 D893 F895 | V828-I926 HydrophobicContact CG1-CD1 3.37Å; V828-I926 WeakPolarHBondContact O-CA 3.44Å; E830-I926 HydrophobicContact CB-CG2 3.88Å; F887-I926 HydrophobicContact CB-CD1 3.59Å; F887-I926 HydrophobicContact CB-CG1 4.05Å; F887-I926 HydrophobicContact CB-CG2 4.15Å; F887-I926 HydrophobicContact CD1-CD1 4.24Å; F887-I926 HydrophobicContact CD2-CD1 3.81Å; F887-I926 HydrophobicContact CG-CD1 3.61Å; F887-I926 HydrophobicContact CG-CG1 4.48Å; R889-I926 HydrophobicContact CB-CG2 4.08Å; N892-I926 WeakPolarHBondContact O-CG1 3.19Å; D893-I926 WeakPolarHBondContact O-CG1 3.39Å; D893-I926 PolarHBondContact O-N 3.2Å; F895-I926 HydrophobicContact CD2-CD1 4.41Å; F895-I926 HydrophobicContact CE2-CD1 4.15Å; F895-I926 HydrophobicContact CE2-CG1 4.48Å |
| 927 | Q | 62.7 | Low | 74.7 | Confident | 87 Ų | 87 | 59.9 Ų | 59.9 | 41% | 0.407 | 30% | 0.298 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.8 | 141.7 | -175.1 | -54 | -173.3 | -93.7 | 0 | 0 | 112.2 | S827 V828 E830 | S827-Q927 PolarHBondContact OG-OE1 3.12Å; V828-Q927 PolarHBondContact O-N 3.09Å; E830-Q927 PolarHBondContact N-O 3.24Å |
| 928 | D | 66.3 | Low | 74.2 | Confident | 43 Ų | 43 | 59.7 Ų | 59.7 | 23% | 0.23 | 30% | 0.303 | C | S | . | . | trans | -68.7 | 154.6 | -174.1 | -133.1 | 22 | 0 | 0 | 0 | 114.5 | R889 | R889-D928 VanDerWaalsContact CD-OD1 3.3Å; R889-D928 WeakPolarHBondContact CD-OD1 3.39Å; R889-D928 VanDerWaalsContact CZ-CB 3.41Å; R889-D928 IonicContact CZ-OD1 3.9Å; R889-D928 VanDerWaalsContact CZ-OD1 3.27Å; R889-D928 IonicContact CZ-OD2 3.89Å; R889-D928 IonicContact NE-OD1 3.36Å; R889-D928 PolarHBondContact NE-OD1 3.27Å; R889-D928 IonicContact NE-OD2 3.07Å; R889-D928 IonicContact NH2-OD1 3.29Å; R889-D928 PolarHBondContact NH2-OD1 2.83Å; R889-D928 IonicContact NH2-OD2 3.71Å; R889-D928 PolarHBondContact NH2-OD2 3.12Å | ||
| 929 | I | 64.7 | Low | 73.5 | Confident | 92 Ų | 92 | 61.3 Ų | 61.3 | 47% | 0.472 | 32% | 0.318 | S | S | . | . | trans | -131.1 | 109.3 | 163.8 | -59.1 | 177 | 0 | 0 | 0 | 109.3 | E830 D931 | E830-I929 HydrophobicContact CG-CD1 3.86Å; E830-I929 HydrophobicContact CG-CG1 3.99Å; E830-I929 PolarHBondContact OE1-N 3.12Å; I929-D931 PolarHBondContact O-N 3.08Å | ||
| 930 | N | 62.6 | Low | 73 | Confident | 67 Ų | 67 | 60 Ų | 60 | 36% | 0.358 | 32% | 0.315 | S | S | . | . | trans | -63.3 | 99.8 | 178.6 | -178 | 119.9 | 0 | 0 | 0 | 111.5 | D964 S967 | N930-D964 WeakPolarHBondContact CA-OD2 3.41Å; N930-D964 HydrophobicContact CB-CB 4.29Å; N930-D964 PolarHBondContact ND2-OD2 3.24Å; N930-D964 VanDerWaalsContact ND2-OD2 3.09Å; N930-D964 PolarHBondContact OD1-OD2 3.42Å; N930-S967 PolarHBondContact OD1-OG 3.17Å | ||
| 931 | D | 65.9 | Low | 72.9 | Confident | 121 Ų | 121 | 62.3 Ų | 62.3 | 65% | 0.647 | 32% | 0.323 | S | S | * | . | trans | -113.2 | -1.4 | -175.9 | 106.9 | -35.3 | 0 | 0 | 0 | 115.3 | I929 D964 | I929-D931 PolarHBondContact O-N 3.08Å; D931-D964 PolarHBondContact N-OD1 3.45Å; D931-D964 PolarHBondContact N-OD2 2.85Å | ||
| 932 | N | 67.6 | Low | 72.5 | Confident | 55 Ų | 55 | 67.6 Ų | 67.6 | 29% | 0.294 | 34% | 0.341 | S | S | . | . | trans | -103.9 | 179.3 | 179.6 | -67.8 | -82 | 0 | 0 | 0 | 113.5 | D962 L963 D964 H1019 | N932-D962 VanDerWaalsContact C-OD1 3.27Å; N932-D962 WeakPolarHBondContact CB-OD1 3.28Å; N932-L963 HydrophobicContact CB-CB 3.82Å; N932-D964 WeakPolarHBondContact CB-OD1 3.35Å; N932-D964 PolarHBondContact N-OD1 2.68Å; N932-D964 PolarHBondContact N-OD2 3.3Å; N932-D964 PolarHBondContact ND2-OD1 2.93Å; N932-H1019 PolarHBondContact O-CE1 3Å; N932-H1019 PolarHBondContact O-ND1 2.75Å | ||
| 933 | A | 69.2 | Low | 72.4 | Confident | 49 Ų | 49 | 68.5 Ų | 68.5 | 41% | 0.405 | 35% | 0.351 | S | S | . | . | trans | -153.7 | 152.8 | -166 | 0 | 0 | 0 | 0 | 0 | 115.6 | D962 H1019 | A933-D962 WeakPolarHBondContact CA-OD1 3.46Å; A933-D962 VanDerWaalsContact CA-OD2 3.25Å; A933-D962 WeakPolarHBondContact CA-OD2 3.27Å; A933-D962 PolarHBondContact N-OD1 3.48Å; A933-H1019 HydrophobicContact CB-CB 4Å; A933-H1019 VanDerWaalsContact CB-CG 3.45Å; A933-H1019 WeakPolarHBondContact CB-ND1 3.27Å | ||
| 934 | P | 82.5 | Confident | 71.7 | Confident | 13 Ų | 13 | 75.4 Ų | 75.4 | 8% | 0.084 | 38% | 0.375 | C | S | . | . | trans | -103 | 160.3 | -165.4 | 37.3 | -32.6 | 0 | 0 | 0 | 117.1 | H961 D962 L969 D1014 | P934-H961 WeakPolarHBondContact CA-O 3.46Å; P934-H961 WeakPolarHBondContact CB-O 2.99Å; P934-D962 HydrophobicContact CB-CB 4.48Å; P934-D962 WeakPolarHBondContact CB-OD2 3.28Å; P934-D962 WeakPolarHBondContact CD-OD2 3.37Å; P934-L969 HydrophobicContact CB-CD1 4.2Å; P934-L969 HydrophobicContact CB-CD2 3.62Å; P934-L969 HydrophobicContact CG-CD2 3.9Å; P934-D1014 HydrophobicContact CG-CB 4.13Å | ||
| 935 | Y | 76.5 | Confident | 71.7 | Confident | 122 Ų | 122 | 75.9 Ų | 75.9 | 48% | 0.478 | 38% | 0.378 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -147.1 | 150.6 | -174.7 | 68.6 | -81.1 | 0 | 0 | 0 | 115.3 | A960 H961 | Y935-A960 WeakPolarHBondContact O-CA 3.05Å; Y935-A960 WeakPolarHBondContact O-CB 3.45Å; Y935-H961 WeakPolarHBondContact CD1-O 3.02Å; Y935-H961 HydrophobicContact CE1-CB 3.91Å; Y935-H961 PolarHBondContact N-O 2.94Å |
| 936 | F | 79 | Confident | 71.8 | Confident | 29 Ų | 29 | 77.9 Ų | 77.9 | 13% | 0.127 | 38% | 0.381 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.7 | 154.2 | 171.2 | -73.7 | -62.5 | 0 | 0 | 0 | 112.6 | V958 K959 A960 Y971 L1010 V1012 A1021 A1023 | F936-V958 HydrophobicContact CD1-CG1 3.61Å; F936-V958 HydrophobicContact CE1-CB 4.28Å; F936-V958 HydrophobicContact CE1-CG1 3.52Å; F936-V958 HydrophobicContact CZ-CG1 4.38Å; F936-K959 WeakPolarHBondContact CD1-O 3.49Å; F936-A960 HydrophobicContact CD1-CB 4.11Å; F936-A960 HydrophobicContact CE1-CB 4.37Å; F936-Y971 AromaticContact CE1-CD1 3.91Å; F936-Y971 HydrophobicContact CE1-CD1 3.91Å; F936-Y971 AromaticContact CE1-CE1 3.75Å; F936-Y971 HydrophobicContact CE1-CE1 3.75Å; F936-Y971 HydrophobicContact CZ-CD1 4.01Å; F936-Y971 HydrophobicContact CZ-CE1 4.26Å; F936-L1010 HydrophobicContact CE1-CD2 4.15Å; F936-L1010 HydrophobicContact CZ-CD2 3.87Å; F936-L1010 HydrophobicContact CZ-CG 4.17Å; F936-V1012 HydrophobicContact CD1-CG1 4.3Å; F936-V1012 HydrophobicContact CD2-CG1 3.83Å; F936-V1012 HydrophobicContact CE1-CB 4.13Å; F936-V1012 HydrophobicContact CE1-CG1 3.92Å; F936-V1012 HydrophobicContact CE2-CB 3.9Å; F936-V1012 HydrophobicContact CE2-CG1 3.39Å; F936-V1012 HydrophobicContact CG-CG1 4.27Å; F936-V1012 HydrophobicContact CZ-CB 3.54Å; F936-V1012 HydrophobicContact CZ-CG1 3.46Å; F936-V1012 VanDerWaalsContact CZ-CG1 3.46Å; F936-A1021 HydrophobicContact CD2-CB 3.74Å; F936-A1021 HydrophobicContact CE2-CB 4.29Å; F936-A1023 HydrophobicContact CD2-CB 4.42Å |
| 937 | N | 66.7 | Low | 71.4 | Confident | 111 Ų | 111 | 78.3 Ų | 78.3 | 59% | 0.594 | 38% | 0.382 | S | S | * | . | S | Bend | trans | -86.2 | -36.4 | -179.8 | -75.2 | -45.7 | 0 | 0 | 0 | 115.8 | ||
| 938 | E | 68.7 | Low | 71.7 | Confident | 122 Ų | 122 | 77.7 Ų | 77.7 | 57% | 0.57 | 38% | 0.382 | S | S | * | . | trans | -132.5 | 158.2 | -174.1 | -88.1 | -72.1 | -171.7 | 0 | 0 | 112.8 | Y941 | E938-Y941 HydrophobicContact CB-CE1 4.21Å; E938-Y941 HydrophobicContact CB-CE2 4.09Å; E938-Y941 WeakPolarHBondContact CB-OH 3.39Å | ||
| 939 | S | 69.2 | Low | 72.2 | Confident | 81 Ų | 81 | 76 Ų | 76 | 57% | 0.566 | 38% | 0.375 | S | S | * | . | S | Bend | trans | -103.6 | -26.1 | -167.2 | 63.4 | 0 | 0 | 0 | 0 | 116 | R1024 | S939-R1024 PolarHBondContact O-N 2.86Å; S939-R1024 VanDerWaalsContact O-N 3.13Å |
| 940 | V | 69 | Low | 72.2 | Confident | 71 Ų | 71 | 74.8 Ų | 74.8 | 43% | 0.43 | 37% | 0.367 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -147.3 | 126.1 | 179.9 | -174.7 | 0 | 0 | 0 | 0 | 111.1 | R1024 | V940-R1024 CarbonylContact C-O 3.51Å; V940-R1024 VanDerWaalsContact CA-O 3.31Å; V940-R1024 WeakPolarHBondContact CA-O 3.42Å; V940-R1024 HydrophobicContact CB-CB 4.49Å; V940-R1024 HydrophobicContact CG1-CB 4.41Å; V940-R1024 HydrophobicContact CG2-CB 4.06Å |
| 941 | Y | 79.5 | Confident | 72.5 | Confident | 50 Ų | 50 | 75.2 Ų | 75.2 | 20% | 0.196 | 37% | 0.372 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116 | 160.9 | -178.4 | -60.2 | -100.4 | 0 | 0 | 0 | 111.6 | E938 M956 V958 A1023 R1024 I1025 Q1026 | E938-Y941 HydrophobicContact CB-CE1 4.21Å; E938-Y941 HydrophobicContact CB-CE2 4.09Å; E938-Y941 WeakPolarHBondContact CB-OH 3.39Å; Y941-M956 VanDerWaalsContact CB-SD 3.56Å; Y941-M956 HydrophobicContact CD1-CE 3.56Å; Y941-M956 HydrophobicContact CD2-CE 4.14Å; Y941-M956 HydrophobicContact CE1-CE 4.35Å; Y941-M956 HydrophobicContact CG-CE 3.43Å; Y941-M956 VanDerWaalsContact CG-CE 3.43Å; Y941-M956 HydrophobicContact CG-SD 4.34Å; Y941-V958 HydrophobicContact CD2-CG2 4.25Å; Y941-V958 HydrophobicContact CE1-CG2 4.41Å; Y941-V958 HydrophobicContact CE2-CG1 3.78Å; Y941-V958 HydrophobicContact CE2-CG2 4.08Å; Y941-A1023 HydrophobicContact CE2-CB 4.08Å; Y941-R1024 PolarHBondContact N-O 3.42Å; Y941-I1025 HydrophobicContact CD2-CD1 4.17Å; Y941-I1025 HydrophobicContact CG-CD1 4.48Å; Y941-I1025 CarbonylContact O-C 3.51Å; Y941-I1025 WeakPolarHBondContact O-CA 3.44Å; Y941-Q1026 PolarHBondContact O-N 3.28Å; Y941-Q1026 VanDerWaalsContact O-N 3.11Å |
| 942 | R | 69.5 | Low | 72.9 | Confident | 189 Ų | 189 | 70.5 Ų | 70.5 | 71% | 0.713 | 35% | 0.351 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -148 | 128.8 | 179.7 | -63.3 | -172 | 172.4 | 108.1 | 7.2 | 112.7 | Q1026 | R942-Q1026 CarbonylContact C-O 3.53Å; R942-Q1026 VanDerWaalsContact CA-O 3.28Å; R942-Q1026 WeakPolarHBondContact CA-O 3.26Å; R942-Q1026 HydrophobicContact CG-CB 4.22Å; R942-Q1026 HydrophobicContact CG-CG 4.42Å; R942-Q1026 VanDerWaalsContact NH2-OE1 3.15Å |
| 943 | G | 78.3 | Confident | 73.2 | Confident | 20 Ų | 20 | 69 Ų | 69 | 21% | 0.206 | 34% | 0.343 | C | S | . | . | trans | -118 | 177.2 | 173.4 | 0 | 0 | 0 | 0 | 0 | 113.8 | Q1026 I1027 A1028 | G943-Q1026 PolarHBondContact N-O 2.8Å; G943-I1027 WeakPolarHBondContact O-CA 3.39Å; G943-A1028 PolarHBondContact O-N 2.79Å | ||
| 944 | R | 70 | Confident | 73.5 | Confident | 187 Ų | 187 | 68 Ų | 68 | 71% | 0.706 | 33% | 0.33 | S | S | * | . | trans | -147.2 | 164.9 | 165.8 | -56.9 | -167.6 | -147.7 | 160.9 | 9.5 | 109.2 | A1028 E1030 | R944-A1028 CarbonylContact C-O 3.42Å; R944-A1028 VanDerWaalsContact CA-O 3.25Å; R944-A1028 WeakPolarHBondContact CA-O 3.48Å; R944-A1028 HydrophobicContact CG-CB 4.23Å; R944-E1030 IonicContact NH1-OE1 3.76Å | ||
| 945 | V | 82.4 | Confident | 73 | Confident | 11 Ų | 11 | 68.5 Ų | 68.5 | 7% | 0.067 | 33% | 0.333 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -159.5 | 162.6 | -169.7 | 65.2 | 0 | 0 | 0 | 0 | 109.9 | A949 I994 L998 I1027 A1028 V1029 E1030 | V945-A949 HydrophobicContact CG2-CB 3.25Å; V945-I994 HydrophobicContact CG2-CD1 3.87Å; V945-L998 HydrophobicContact CB-CD1 4.3Å; V945-L998 HydrophobicContact CG1-CD1 3.33Å; V945-L998 HydrophobicContact CG2-CD1 4.01Å; V945-I1027 HydrophobicContact CG1-CG2 3.94Å; V945-A1028 WeakPolarHBondContact CG1-O 3.14Å; V945-A1028 PolarHBondContact N-O 2.81Å; V945-V1029 HydrophobicContact CG1-CG2 4.18Å; V945-V1029 CarbonylContact O-C 3.58Å; V945-V1029 VanDerWaalsContact O-CA 3.25Å; V945-V1029 WeakPolarHBondContact O-CA 3.26Å; V945-E1030 PolarHBondContact O-N 2.86Å |
| 946 | R | 76.4 | Confident | 73.1 | Confident | 110 Ų | 110 | 63.5 Ų | 63.5 | 42% | 0.415 | 31% | 0.314 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.1 | 171 | 170.5 | -61.1 | -164 | 178.5 | 101.5 | 12.6 | 109.9 | N948 A949 E1030 | R946-N948 VanDerWaalsContact CB-OD1 3.28Å; R946-N948 WeakPolarHBondContact CB-OD1 3.33Å; R946-A949 WeakPolarHBondContact O-CB 3.27Å; R946-E1030 HydrophobicContact CG-CB 4.37Å |
| 947 | E | 73.5 | Confident | 73.2 | Confident | 14 Ų | 14 | 62.7 Ų | 62.7 | 7% | 0.065 | 31% | 0.312 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -71.8 | -41.1 | 172.9 | 66.4 | -166.4 | 121.1 | 0 | 0 | 113 | A949 L998 Y1000 V1029 E1030 D1031 V1032 | E947-A949 PolarHBondContact O-N 2.95Å; E947-L998 CarbonylContact O-C 3.5Å; E947-L998 VanDerWaalsContact O-O 3.1Å; E947-Y1000 VanDerWaalsContact OE1-CB 3.31Å; E947-Y1000 WeakPolarHBondContact OE1-CB 3.25Å; E947-Y1000 WeakPolarHBondContact OE2-CA 3.4Å; E947-Y1000 WeakPolarHBondContact OE2-CB 3.32Å; E947-Y1000 PolarHBondContact OE2-N 2.78Å; E947-V1029 HydrophobicContact CB-CG1 3.96Å; E947-E1030 PolarHBondContact N-O 2.94Å; E947-D1031 WeakPolarHBondContact OE1-CA 3.12Å; E947-V1032 PolarHBondContact OE1-N 2.65Å |
| 948 | N | 67.6 | Low | 73.8 | Confident | 74 Ų | 74 | 57.5 Ų | 57.5 | 40% | 0.396 | 28% | 0.284 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -72 | 26.9 | 176 | 80.1 | -55.1 | 0 | 0 | 0 | 113.3 | R946 | R946-N948 VanDerWaalsContact CB-OD1 3.28Å; R946-N948 WeakPolarHBondContact CB-OD1 3.33Å |
| 949 | A | 78 | Confident | 74.2 | Confident | 9 Ų | 9 | 57.2 Ų | 57.2 | 7% | 0.074 | 28% | 0.281 | C | S | . | . | P | Polyproline II helix | trans | -86.8 | 127.6 | 177.6 | 0 | 0 | 0 | 0 | 0 | 109.9 | V945 R946 E947 Q953 I994 | V945-A949 HydrophobicContact CG2-CB 3.25Å; R946-A949 WeakPolarHBondContact O-CB 3.27Å; E947-A949 PolarHBondContact O-N 2.95Å; A949-Q953 VanDerWaalsContact CA-OE1 3.32Å; A949-I994 HydrophobicContact CB-CD1 3.5Å; A949-I994 VanDerWaalsContact CB-CD1 3.5Å |
| 950 | E | 65.2 | Low | 74.7 | Confident | 66 Ų | 66 | 53.7 Ų | 53.7 | 31% | 0.308 | 26% | 0.257 | S | S | . | . | P | Polyproline II helix | trans | -77.6 | 153.5 | -163.2 | -69.5 | 161.6 | -153.4 | 0 | 0 | 112.6 | D361 Q421 G952 Q953 I994 | D361-E950 WeakPolarHBondContact CA-OE2 3.44Å; Q421-E950 PolarHBondContact NE2-OE1 2.87Å; E950-G952 PolarHBondContact O-N 3.13Å; E950-Q953 WeakPolarHBondContact O-CB 3.31Å; E950-Q953 PolarHBondContact O-N 2.82Å; E950-I994 WeakPolarHBondContact O-CB 3.41Å |
| 951 | V | 69 | Low | 74.9 | Confident | 76 Ų | 76 | 54.5 Ų | 54.5 | 46% | 0.461 | 26% | 0.256 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -69.2 | 130.4 | 172.6 | -176.7 | 0 | 0 | 0 | 0 | 108.2 | P997 | V951-P997 HydrophobicContact CG2-CB 4.26Å; V951-P997 HydrophobicContact CG2-CG 3.59Å |
| 952 | G | 73.3 | Confident | 74.6 | Confident | 21 Ų | 21 | 53.7 Ų | 53.7 | 22% | 0.216 | 26% | 0.255 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 105.7 | -20 | -164.9 | 0 | 0 | 0 | 0 | 0 | 113.1 | Q363 E950 N954 F993 I994 | Q363-G952 PolarHBondContact NE2-O 2.95Å; E950-G952 PolarHBondContact O-N 3.13Å; G952-N954 PolarHBondContact O-N 3.06Å; G952-N954 VanDerWaalsContact O-N 3.15Å; G952-F993 WeakPolarHBondContact O-CB 3.34Å; G952-I994 WeakPolarHBondContact CA-O 3.47Å; G952-I994 PolarHBondContact N-O 3.27Å |
| 953 | Q | 74.5 | Confident | 74.5 | Confident | 25 Ų | 25 | 51.3 Ų | 51.3 | 12% | 0.117 | 26% | 0.256 | C | S | . | . | trans | -67.2 | 111.9 | -165.9 | 168.2 | 168.5 | -10.1 | 0 | 0 | 114.9 | Q363 P417 A949 E950 V955 F993 I994 | Q363-Q953 HydrophobicContact CG-CB 4.15Å; Q363-Q953 HydrophobicContact CG-CG 4.06Å; P417-Q953 HydrophobicContact CG-CB 4.31Å; P417-Q953 HydrophobicContact CG-CG 4.18Å; A949-Q953 VanDerWaalsContact CA-OE1 3.32Å; E950-Q953 WeakPolarHBondContact O-CB 3.31Å; E950-Q953 PolarHBondContact O-N 2.82Å; Q953-V955 PolarHBondContact O-N 2.66Å; Q953-F993 CarbonylContact O-C 3.32Å; Q953-F993 VanDerWaalsContact O-CA 3.25Å; Q953-F993 WeakPolarHBondContact O-CA 3.28Å; Q953-I994 HydrophobicContact CB-CB 4.28Å; Q953-I994 HydrophobicContact CB-CD1 3.91Å; Q953-I994 HydrophobicContact CB-CG1 4.14Å; Q953-I994 HydrophobicContact CG-CD1 4.21Å; Q953-I994 WeakPolarHBondContact O-CG1 3.24Å; Q953-I994 PolarHBondContact O-N 3.02Å | ||
| 954 | N | 75.1 | Confident | 74.1 | Confident | 26 Ų | 26 | 51.5 Ų | 51.5 | 14% | 0.139 | 25% | 0.252 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -51.7 | 127.3 | 168.2 | -53.4 | -28 | 0 | 0 | 0 | 111.5 | Q363 G364 G952 T991 I992 F993 | Q363-N954 HydrophobicContact CB-CB 3.72Å; Q363-N954 VanDerWaalsContact CD-N 3.25Å; Q363-N954 HydrophobicContact CG-CB 4.25Å; Q363-N954 VanDerWaalsContact CG-N 3.3Å; Q363-N954 PolarHBondContact OE1-ND2 3.48Å; Q363-N954 PolarHBondContact OE1-OD1 2.97Å; G364-N954 PolarHBondContact O-ND2 2.84Å; G952-N954 PolarHBondContact O-N 3.06Å; G952-N954 VanDerWaalsContact O-N 3.15Å; N954-T991 HydrophobicContact CB-CG2 3.68Å; N954-T991 WeakPolarHBondContact ND2-CG2 3.37Å; N954-T991 WeakPolarHBondContact OD1-CG2 3.38Å; N954-I992 CarbonylContact C-O 3.55Å; N954-I992 WeakPolarHBondContact CA-O 3.32Å; N954-F993 WeakPolarHBondContact OD1-CB 3.37Å |
| 955 | V | 72.8 | Confident | 73.5 | Confident | 25 Ų | 25 | 50.5 Ų | 50.5 | 15% | 0.152 | 25% | 0.253 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.2 | -34.3 | 172.6 | -171.8 | 0 | 0 | 0 | 0 | 110.6 | Q953 F983 I992 I994 I1027 | Q953-V955 PolarHBondContact O-N 2.66Å; V955-F983 HydrophobicContact CG2-CD1 3.69Å; V955-F983 HydrophobicContact CG2-CE1 3.63Å; V955-I992 PolarHBondContact N-O 2.94Å; V955-I994 HydrophobicContact CG2-CG1 4.07Å; V955-I1027 HydrophobicContact CB-CD1 4.44Å; V955-I1027 HydrophobicContact CG1-CD1 3.98Å; V955-I1027 HydrophobicContact CG1-CG1 4.04Å; V955-I1027 HydrophobicContact CG1-CG2 3.95Å; V955-I1027 HydrophobicContact CG2-CD1 4.35Å |
| 956 | M | 77.3 | Confident | 72.2 | Confident | 16 Ų | 16 | 55.6 Ų | 55.6 | 8% | 0.079 | 28% | 0.279 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -177.5 | 166.4 | 179.8 | 48.9 | 163.8 | -65.1 | 0 | 0 | 111.5 | Y941 V958 I992 I1025 | Y941-M956 VanDerWaalsContact CB-SD 3.56Å; Y941-M956 HydrophobicContact CD1-CE 3.56Å; Y941-M956 HydrophobicContact CD2-CE 4.14Å; Y941-M956 HydrophobicContact CE1-CE 4.35Å; Y941-M956 HydrophobicContact CG-CE 3.43Å; Y941-M956 VanDerWaalsContact CG-CE 3.43Å; Y941-M956 HydrophobicContact CG-SD 4.34Å; M956-V958 HydrophobicContact CE-CG2 3.25Å; M956-I992 HydrophobicContact CE-CD1 4.48Å; M956-I992 HydrophobicContact CG-CB 4.46Å; M956-I992 PolarHBondContact N-O 3.11Å; M956-I992 PolarHBondContact O-N 2.94Å; M956-I1025 HydrophobicContact CE-CD1 3.82Å; M956-I1025 HydrophobicContact SD-CD1 4.01Å; M956-I1025 HydrophobicContact SD-CG2 3.7Å |
| 957 | T | 82.4 | Confident | 71.4 | Confident | 13 Ų | 13 | 51.6 Ų | 51.6 | 8% | 0.08 | 27% | 0.268 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.5 | 145 | 178.8 | -55.6 | 0 | 0 | 0 | 0 | 112.4 | N365 E413 K959 S989 T991 | N365-T957 VanDerWaalsContact ND2-CB 3.26Å; N365-T957 WeakPolarHBondContact ND2-CB 3.35Å; N365-T957 PolarHBondContact ND2-OG1 2.82Å; E413-T957 PolarHBondContact OE1-N 2.88Å; T957-K959 HydrophobicContact CG2-CG 4.18Å; T957-S989 WeakPolarHBondContact CG2-O 3.34Å; T957-T991 VanDerWaalsContact CG2-OG1 3.22Å; T957-T991 WeakPolarHBondContact CG2-OG1 3.28Å; T957-T991 WeakPolarHBondContact OG1-CG2 3.37Å; T957-T991 PolarHBondContact OG1-OG1 2.87Å |
| 958 | V | 77.6 | Confident | 71.1 | Confident | 1 Ų | 1 | 55.3 Ų | 55.3 | 1% | 0.006 | 29% | 0.286 | C | S | . | . | trans | -134 | 104.2 | -179.6 | -169.2 | 0 | 0 | 0 | 0 | 110.3 | F936 Y941 M956 Y971 G990 I992 L1010 A1023 I1025 | F936-V958 HydrophobicContact CD1-CG1 3.61Å; F936-V958 HydrophobicContact CE1-CB 4.28Å; F936-V958 HydrophobicContact CE1-CG1 3.52Å; F936-V958 HydrophobicContact CZ-CG1 4.38Å; Y941-V958 HydrophobicContact CD2-CG2 4.25Å; Y941-V958 HydrophobicContact CE1-CG2 4.41Å; Y941-V958 HydrophobicContact CE2-CG1 3.78Å; Y941-V958 HydrophobicContact CE2-CG2 4.08Å; M956-V958 HydrophobicContact CE-CG2 3.25Å; V958-Y971 WeakPolarHBondContact O-CD1 3.31Å; V958-Y971 WeakPolarHBondContact O-CE1 3.17Å; V958-G990 PolarHBondContact N-O 2.04Å; V958-G990 WeakPolarHBondContact O-CA 3.24Å; V958-I992 HydrophobicContact CG2-CD1 4.4Å; V958-L1010 HydrophobicContact CB-CD2 3.47Å; V958-L1010 VanDerWaalsContact CB-CD2 3.47Å; V958-L1010 HydrophobicContact CG1-CD2 3.86Å; V958-L1010 HydrophobicContact CG2-CD2 3.84Å; V958-A1023 HydrophobicContact CG1-CB 4.48Å; V958-I1025 HydrophobicContact CG2-CD1 4.28Å | ||
| 959 | K | 76.9 | Confident | 71.6 | Confident | 116 Ų | 116 | 53.1 Ų | 53.1 | 50% | 0.504 | 27% | 0.274 | S | S | . | . | trans | -100.5 | 159.6 | -179.1 | -72.4 | -163.9 | 174.4 | -165.9 | 0 | 114.3 | F936 T957 | F936-K959 WeakPolarHBondContact CD1-O 3.49Å; T957-K959 HydrophobicContact CG2-CG 4.18Å | ||
| 960 | A | 80.4 | Confident | 71.6 | Confident | 7 Ų | 7 | 58.1 Ų | 58.1 | 6% | 0.058 | 29% | 0.291 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.5 | 173.8 | 175.4 | 0 | 0 | 0 | 0 | 0 | 111.1 | Y935 F936 L969 Y971 V1012 | Y935-A960 WeakPolarHBondContact O-CA 3.05Å; Y935-A960 WeakPolarHBondContact O-CB 3.45Å; F936-A960 HydrophobicContact CD1-CB 4.11Å; F936-A960 HydrophobicContact CE1-CB 4.37Å; A960-L969 HydrophobicContact CB-CD1 4.24Å; A960-L969 WeakPolarHBondContact O-CD1 3.49Å; A960-Y971 HydrophobicContact CB-CE1 4.15Å; A960-Y971 PolarHBondContact N-OH 2.79Å; A960-V1012 HydrophobicContact CB-CB 4.44Å; A960-V1012 HydrophobicContact CB-CG1 3.79Å; A960-V1012 HydrophobicContact CB-CG2 4.05Å |
| 961 | H | 72.7 | Confident | 72.5 | Confident | 88 Ų | 88 | 55.7 Ų | 55.7 | 41% | 0.407 | 28% | 0.279 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -142.6 | 152.1 | -174.8 | -51.4 | -79.9 | 0 | 0 | 0 | 112.3 | P934 Y935 | P934-H961 WeakPolarHBondContact CA-O 3.46Å; P934-H961 WeakPolarHBondContact CB-O 2.99Å; Y935-H961 WeakPolarHBondContact CD1-O 3.02Å; Y935-H961 HydrophobicContact CE1-CB 3.91Å; Y935-H961 PolarHBondContact N-O 2.94Å |
| 962 | D | 74.7 | Confident | 72.9 | Confident | 34 Ų | 34 | 55 Ų | 55 | 18% | 0.182 | 28% | 0.278 | C | S | . | . | trans | -133.4 | -173.4 | 173.9 | -137 | -51.1 | 0 | 0 | 0 | 112 | N932 A933 P934 L969 | N932-D962 VanDerWaalsContact C-OD1 3.27Å; N932-D962 WeakPolarHBondContact CB-OD1 3.28Å; A933-D962 WeakPolarHBondContact CA-OD1 3.46Å; A933-D962 VanDerWaalsContact CA-OD2 3.25Å; A933-D962 WeakPolarHBondContact CA-OD2 3.27Å; A933-D962 PolarHBondContact N-OD1 3.48Å; P934-D962 HydrophobicContact CB-CB 4.48Å; P934-D962 WeakPolarHBondContact CB-OD2 3.28Å; P934-D962 WeakPolarHBondContact CD-OD2 3.37Å; D962-L969 HydrophobicContact CB-CD2 4.16Å | ||
| 963 | L | 66.7 | Low | 73.3 | Confident | 139 Ų | 139 | 55.8 Ų | 55.8 | 73% | 0.728 | 28% | 0.277 | S | S | * | . | trans | -124.9 | -22.7 | -176.8 | -66.8 | 177.5 | 0 | 0 | 0 | 116.9 | N932 | N932-L963 HydrophobicContact CB-CB 3.82Š| ||
| 964 | D | 69.8 | Low | 73.3 | Confident | 24 Ų | 24 | 55.6 Ų | 55.6 | 13% | 0.128 | 28% | 0.276 | C | S | . | . | S | Bend | trans | -75.8 | 152.8 | 179 | -43.9 | -50 | 0 | 0 | 0 | 110.2 | N930 D931 N932 D966 S967 | N930-D964 WeakPolarHBondContact CA-OD2 3.41Å; N930-D964 HydrophobicContact CB-CB 4.29Å; N930-D964 PolarHBondContact ND2-OD2 3.24Å; N930-D964 VanDerWaalsContact ND2-OD2 3.09Å; N930-D964 PolarHBondContact OD1-OD2 3.42Å; D931-D964 PolarHBondContact N-OD1 3.45Å; D931-D964 PolarHBondContact N-OD2 2.85Å; N932-D964 WeakPolarHBondContact CB-OD1 3.35Å; N932-D964 PolarHBondContact N-OD1 2.68Å; N932-D964 PolarHBondContact N-OD2 3.3Å; N932-D964 PolarHBondContact ND2-OD1 2.93Å; D964-D966 PolarHBondContact O-N 2.94Å; D964-D966 VanDerWaalsContact O-N 3.16Å; D964-S967 WeakPolarHBondContact CB-OG 3.3Å; D964-S967 PolarHBondContact O-OG 3.06Å |
| 965 | K | 57.4 | Low | 72.7 | Confident | 166 Ų | 166 | 58.6 Ų | 58.6 | 72% | 0.722 | 30% | 0.299 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -64.7 | -27.8 | -167 | -178.9 | 168.7 | 169 | -177.3 | 0 | 113.5 | ||
| 966 | D | 54.7 | Low | 72.1 | Confident | 117 Ų | 117 | 66.1 Ų | 66.1 | 63% | 0.626 | 33% | 0.325 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -123.9 | 21.9 | -168.7 | -58.1 | -57.7 | 0 | 0 | 0 | 113.1 | R889 D964 | R889-D966 IonicContact NH2-OD2 2.72Å; R889-D966 PolarHBondContact NH2-OD2 3.06Å; D964-D966 PolarHBondContact O-N 2.94Å; D964-D966 VanDerWaalsContact O-N 3.16Å |
| 967 | S | 61.1 | Low | 71.4 | Confident | 27 Ų | 27 | 67.2 Ų | 67.2 | 19% | 0.189 | 34% | 0.341 | C | S | . | . | trans | -72.5 | 122.4 | -177.5 | -54.2 | 0 | 0 | 0 | 0 | 114.8 | N930 D964 | N930-S967 PolarHBondContact OD1-OG 3.17Å; D964-S967 WeakPolarHBondContact CB-OG 3.3Å; D964-S967 PolarHBondContact O-OG 3.06Å | ||
| 968 | E | 65.2 | Low | 71.1 | Confident | 92 Ų | 92 | 67.4 Ų | 67.4 | 43% | 0.43 | 34% | 0.341 | S | S | . | . | trans | -96.2 | 102.2 | -177.2 | -164.2 | -157.9 | -177.1 | 0 | 0 | 114 | R970 D1014 | E968-R970 PolarHBondContact O-N 2.77Å; E968-R970 IonicContact OE1-CZ 2.69Å; E968-R970 IonicContact OE1-NE 3.48Å; E968-R970 PolarHBondContact OE1-NE 3.43Å; E968-R970 IonicContact OE1-NH1 3.5Å; E968-R970 IonicContact OE1-NH2 3.4Å; E968-R970 PolarHBondContact OE1-NH2 2.69Å; E968-R970 IonicContact OE2-CZ 3.21Å; E968-R970 IonicContact OE2-NE 3.73Å; E968-R970 PolarHBondContact OE2-NE 3.32Å; E968-R970 IonicContact OE2-NH2 3.59Å; E968-R970 PolarHBondContact OE2-NH2 2.8Å; E968-D1014 CarbonylContact O-C 3.6Å; E968-D1014 WeakPolarHBondContact O-CA 3.43Å | ||
| 969 | L | 79.3 | Confident | 70.5 | Confident | 27 Ų | 27 | 72.4 Ų | 72.4 | 14% | 0.141 | 37% | 0.368 | C | S | . | . | trans | -80.7 | 116.8 | -177.8 | -58.3 | -167.8 | 0 | 0 | 0 | 114.2 | P934 A960 D962 Y971 T988 V1012 T1013 D1014 | P934-L969 HydrophobicContact CB-CD1 4.2Å; P934-L969 HydrophobicContact CB-CD2 3.62Å; P934-L969 HydrophobicContact CG-CD2 3.9Å; A960-L969 HydrophobicContact CB-CD1 4.24Å; A960-L969 WeakPolarHBondContact O-CD1 3.49Å; D962-L969 HydrophobicContact CB-CD2 4.16Å; L969-Y971 HydrophobicContact CB-CE2 4.11Å; L969-Y971 WeakPolarHBondContact O-CE2 3.4Å; L969-T988 WeakPolarHBondContact O-CA 3.3Å; L969-V1012 HydrophobicContact CB-CG2 4.37Å; L969-T1013 CarbonylContact C-O 3.57Å; L969-T1013 WeakPolarHBondContact CA-O 3.41Å; L969-D1014 HydrophobicContact CD2-CB 3.83Å | ||
| 970 | R | 77.7 | Confident | 69.9 | Low | 115 Ų | 115 | 69.7 Ų | 69.7 | 43% | 0.434 | 37% | 0.373 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.6 | 128.8 | -176.8 | -65.5 | -178.8 | 175 | -89.3 | 4.4 | 113.9 | E968 A987 V1012 T1013 | E968-R970 PolarHBondContact O-N 2.77Å; E968-R970 IonicContact OE1-CZ 2.69Å; E968-R970 IonicContact OE1-NE 3.48Å; E968-R970 PolarHBondContact OE1-NE 3.43Å; E968-R970 IonicContact OE1-NH1 3.5Å; E968-R970 IonicContact OE1-NH2 3.4Å; E968-R970 PolarHBondContact OE1-NH2 2.69Å; E968-R970 IonicContact OE2-CZ 3.21Å; E968-R970 IonicContact OE2-NE 3.73Å; E968-R970 PolarHBondContact OE2-NE 3.32Å; E968-R970 IonicContact OE2-NH2 3.59Å; E968-R970 PolarHBondContact OE2-NH2 2.8Å; R970-A987 CarbonylContact C-O 3.59Å; R970-A987 WeakPolarHBondContact CA-O 3.35Å; R970-V1012 CarbonylContact O-C 3.52Å; R970-V1012 VanDerWaalsContact O-CA 3.23Å; R970-V1012 WeakPolarHBondContact O-CA 3.46Å; R970-T1013 PolarHBondContact N-O 2.86Å; R970-T1013 PolarHBondContact O-N 2.88Å |
| 971 | Y | 84 | Confident | 69.7 | Low | 15 Ų | 15 | 72.3 Ų | 72.3 | 6% | 0.059 | 39% | 0.391 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.4 | 150.8 | -171.7 | -55.7 | -106.2 | 0 | 0 | 0 | 112.3 | F936 V958 A960 L969 A987 T988 Y1011 V1012 | F936-Y971 AromaticContact CE1-CD1 3.91Å; F936-Y971 HydrophobicContact CE1-CD1 3.91Å; F936-Y971 AromaticContact CE1-CE1 3.75Å; F936-Y971 HydrophobicContact CE1-CE1 3.75Å; F936-Y971 HydrophobicContact CZ-CD1 4.01Å; F936-Y971 HydrophobicContact CZ-CE1 4.26Å; V958-Y971 WeakPolarHBondContact O-CD1 3.31Å; V958-Y971 WeakPolarHBondContact O-CE1 3.17Å; A960-Y971 HydrophobicContact CB-CE1 4.15Å; A960-Y971 PolarHBondContact N-OH 2.79Å; L969-Y971 HydrophobicContact CB-CE2 4.11Å; L969-Y971 WeakPolarHBondContact O-CE2 3.4Å; Y971-A987 PolarHBondContact N-O 3.1Å; Y971-T988 VanDerWaalsContact CE2-O 3.23Å; Y971-T988 WeakPolarHBondContact CE2-O 3.27Å; Y971-Y1011 CarbonylContact C-O 3.31Å; Y971-Y1011 VanDerWaalsContact CA-O 3.23Å; Y971-Y1011 WeakPolarHBondContact CA-O 3.38Å; Y971-V1012 HydrophobicContact CD1-CB 3.7Å; Y971-V1012 HydrophobicContact CD1-CG2 3.57Å; Y971-V1012 HydrophobicContact CD2-CG2 4.05Å; Y971-V1012 HydrophobicContact CE1-CB 3.88Å; Y971-V1012 HydrophobicContact CE1-CG2 3.46Å; Y971-V1012 VanDerWaalsContact CE1-CG2 3.46Å; Y971-V1012 HydrophobicContact CE2-CG2 3.94Å; Y971-V1012 HydrophobicContact CG-CB 4.24Å; Y971-V1012 HydrophobicContact CG-CG2 3.87Å |
| 972 | S | 78.6 | Confident | 69.9 | Low | 62 Ų | 62 | 68.1 Ų | 68.1 | 43% | 0.434 | 37% | 0.372 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -156 | 145.7 | 176.6 | 55.2 | 0 | 0 | 0 | 0 | 114.9 | L1010 Y1011 | S972-L1010 CarbonylContact O-C 3.56Å; S972-L1010 WeakPolarHBondContact O-CA 3.43Å; S972-L1010 WeakPolarHBondContact O-CD1 3.36Å; S972-Y1011 PolarHBondContact N-O 3.48Å; S972-Y1011 PolarHBondContact O-N 3.34Å |
| 973 | L | 81.5 | Confident | 70.4 | Confident | 37 Ų | 37 | 66.5 Ų | 66.5 | 19% | 0.194 | 36% | 0.363 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.4 | 148.6 | 177.8 | -84.7 | 174 | 0 | 0 | 0 | 112.7 | V985 I992 L1008 V1009 L1010 | L973-V985 HydrophobicContact CB-CG1 3.96Å; L973-V985 HydrophobicContact CD1-CB 3.92Å; L973-V985 HydrophobicContact CD1-CG1 4.18Å; L973-V985 HydrophobicContact CG-CB 3.79Å; L973-V985 HydrophobicContact CG-CG1 3.66Å; L973-V985 VanDerWaalsContact N-CG1 3.34Å; L973-I992 HydrophobicContact CD1-CG1 4.29Å; L973-I992 HydrophobicContact CD1-CG2 4.22Å; L973-I992 HydrophobicContact CD2-CD1 4.07Å; L973-I992 HydrophobicContact CD2-CG1 4.25Å; L973-I992 HydrophobicContact CG-CG1 4.46Å; L973-L1008 HydrophobicContact CD1-CD1 4.47Å; L973-L1008 HydrophobicContact CD2-CB 4.27Å; L973-L1008 HydrophobicContact CD2-CD1 4.47Å; L973-V1009 WeakPolarHBondContact CA-O 3.38Å; L973-V1009 WeakPolarHBondContact CD2-O 3.44Å; L973-L1010 HydrophobicContact CD2-CB 4.15Å; L973-L1010 HydrophobicContact CD2-CD1 3.88Å; L973-L1010 HydrophobicContact CG-CD1 4Å |
| 974 | D | 72.8 | Confident | 71.2 | Confident | 20 Ų | 20 | 61.5 Ų | 61.5 | 11% | 0.107 | 34% | 0.34 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -80 | 127.2 | 164.9 | -169.4 | -13 | 0 | 0 | 0 | 110.6 | R976 V1009 Y1011 | D974-R976 VanDerWaalsContact CG-NE 3.31Å; D974-R976 PolarHBondContact O-N 2.87Å; D974-R976 VanDerWaalsContact OD1-CB 3.27Å; D974-R976 WeakPolarHBondContact OD1-CB 3.04Å; D974-R976 VanDerWaalsContact OD1-CG 3.26Å; D974-R976 WeakPolarHBondContact OD1-CG 3.45Å; D974-R976 IonicContact OD1-CZ 3.83Å; D974-R976 PolarHBondContact OD1-N 3.21Å; D974-R976 IonicContact OD1-NE 2.7Å; D974-R976 PolarHBondContact OD1-NE 3.35Å; D974-R976 IonicContact OD1-NH2 3.94Å; D974-R976 IonicContact OD2-CZ 2.67Å; D974-R976 IonicContact OD2-NE 3.27Å; D974-R976 PolarHBondContact OD2-NE 3.46Å; D974-R976 IonicContact OD2-NH2 3.51Å; D974-R976 PolarHBondContact OD2-NH2 2.92Å; D974-V1009 HydrophobicContact CB-CB 3.83Å; D974-V1009 PolarHBondContact N-O 3.28Å; D974-Y1011 HydrophobicContact CB-CE2 4.47Å |
| 975 | S | 63.2 | Low | 71.8 | Confident | 90 Ų | 90 | 61.5 Ų | 61.5 | 63% | 0.629 | 34% | 0.34 | S | S | * | . | S | Bend | trans | -69.7 | -11.8 | 176 | 55 | 0 | 0 | 0 | 0 | 113.8 | G977 N978 | S975-G977 PolarHBondContact O-N 2.93Å; S975-N978 WeakPolarHBondContact O-CB 3.04Å; S975-N978 PolarHBondContact O-N 3.1Å |
| 976 | R | 60.9 | Low | 72.9 | Confident | 182 Ų | 182 | 54.4 Ų | 54.4 | 69% | 0.687 | 31% | 0.314 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -79.2 | 91.5 | -176.7 | -63.3 | 174.4 | -64.3 | -170.2 | 2.5 | 112.3 | D974 | D974-R976 VanDerWaalsContact CG-NE 3.31Å; D974-R976 PolarHBondContact O-N 2.87Å; D974-R976 VanDerWaalsContact OD1-CB 3.27Å; D974-R976 WeakPolarHBondContact OD1-CB 3.04Å; D974-R976 VanDerWaalsContact OD1-CG 3.26Å; D974-R976 WeakPolarHBondContact OD1-CG 3.45Å; D974-R976 IonicContact OD1-CZ 3.83Å; D974-R976 PolarHBondContact OD1-N 3.21Å; D974-R976 IonicContact OD1-NE 2.7Å; D974-R976 PolarHBondContact OD1-NE 3.35Å; D974-R976 IonicContact OD1-NH2 3.94Å; D974-R976 IonicContact OD2-CZ 2.67Å; D974-R976 IonicContact OD2-NE 3.27Å; D974-R976 PolarHBondContact OD2-NE 3.46Å; D974-R976 IonicContact OD2-NH2 3.51Å; D974-R976 PolarHBondContact OD2-NH2 2.92Å |
| 977 | G | 63.2 | Low | 73.8 | Confident | 40 Ų | 40 | 51.6 Ų | 51.6 | 41% | 0.412 | 31% | 0.307 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 125.3 | -18.9 | -177 | 0 | 0 | 0 | 0 | 0 | 112.3 | S975 D979 D1007 | S975-G977 PolarHBondContact O-N 2.93Å; G977-D979 PolarHBondContact O-N 3.45Å; G977-D1007 CarbonylContact C-O 3.49Å; G977-D1007 WeakPolarHBondContact CA-O 3.47Å |
| 978 | N | 75.8 | Confident | 74.1 | Confident | 17 Ų | 17 | 54.3 Ų | 54.3 | 9% | 0.091 | 32% | 0.323 | C | S | . | . | trans | -76.4 | 67.2 | 172.8 | -165.6 | 15.7 | 0 | 0 | 0 | 111.7 | S975 G980 S981 A982 F983 L1008 | S975-N978 WeakPolarHBondContact O-CB 3.04Å; S975-N978 PolarHBondContact O-N 3.1Å; N978-G980 PolarHBondContact O-N 3.08Å; N978-S981 PolarHBondContact O-N 3.22Å; N978-A982 PolarHBondContact OD1-N 3.32Å; N978-F983 PolarHBondContact ND2-O 2.84Å; N978-F983 PolarHBondContact OD1-N 2.83Å; N978-F983 PolarHBondContact OD1-O 3.25Å; N978-L1008 HydrophobicContact CB-CD2 3.8Å | ||
| 979 | D | 63.6 | Low | 74.7 | Confident | 105 Ų | 105 | 51.8 Ų | 51.8 | 56% | 0.561 | 32% | 0.315 | S | S | * | . | G | 310 helix | trans | -63 | 114.2 | -170.6 | -151.6 | 15 | 0 | 0 | 0 | 111.4 | G977 K1003 Y1006 | G977-D979 PolarHBondContact O-N 3.45Å; D979-K1003 VanDerWaalsContact CG-NZ 3.35Å; D979-K1003 IonicContact OD2-NZ 3.39Å; D979-K1003 PolarHBondContact OD2-NZ 3.07Å; D979-Y1006 HydrophobicContact CB-CD1 4.28Å; D979-Y1006 HydrophobicContact CB-CE1 3.96Å |
| 980 | G | 64.7 | Low | 74.7 | Confident | 59 Ų | 59 | 50.5 Ų | 50.5 | 61% | 0.608 | 31% | 0.308 | S | S | * | . | G | 310 helix | trans | 79.5 | 7.2 | -173.3 | 0 | 0 | 0 | 0 | 0 | 115.5 | N978 E996 | N978-G980 PolarHBondContact O-N 3.08Å; G980-E996 WeakPolarHBondContact O-CG 3.33Å |
| 981 | S | 75.9 | Confident | 74.8 | Confident | 62 Ų | 62 | 45.7 Ų | 45.7 | 43% | 0.434 | 29% | 0.292 | S | S | . | . | G | 310 helix | trans | 62.8 | 37.6 | -167.9 | -55.8 | 0 | 0 | 0 | 0 | 113.4 | N978 F983 N995 | N978-S981 PolarHBondContact O-N 3.22Å; S981-F983 PolarHBondContact O-N 2.76Å; S981-F983 VanDerWaalsContact O-N 3.13Å; S981-N995 VanDerWaalsContact O-CB 3.3Å; S981-N995 WeakPolarHBondContact O-CB 3.43Å; S981-N995 PolarHBondContact O-ND2 2.95Å |
| 982 | A | 76.9 | Confident | 74.7 | Confident | 1 Ų | 1 | 45 Ų | 45 | 1% | 0.008 | 29% | 0.289 | C | S | . | . | trans | -63.8 | -14.4 | -178.6 | 0 | 0 | 0 | 0 | 0 | 115.5 | N978 I994 N995 Y1006 | N978-A982 PolarHBondContact OD1-N 3.32Å; A982-I994 CarbonylContact O-C 3.44Å; A982-I994 WeakPolarHBondContact O-CA 3.37Å; A982-N995 PolarHBondContact O-N 3.11Å; A982-Y1006 HydrophobicContact CB-CD1 4.31Å; A982-Y1006 HydrophobicContact CB-CE1 3.46Å; A982-Y1006 VanDerWaalsContact CB-CE1 3.46Å | ||
| 983 | F | 85 | Confident | 74.8 | Confident | 0 Ų | 0 | 44.5 Ų | 44.5 | 0% | 0 | 28% | 0.279 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -139.9 | 138.1 | 176.2 | -52 | -85.3 | 0 | 0 | 0 | 113.2 | V955 N978 S981 I992 F993 I994 L998 Y1006 L1008 I1027 | V955-F983 HydrophobicContact CG2-CD1 3.69Å; V955-F983 HydrophobicContact CG2-CE1 3.63Å; N978-F983 PolarHBondContact ND2-O 2.84Å; N978-F983 PolarHBondContact OD1-N 2.83Å; N978-F983 PolarHBondContact OD1-O 3.25Å; S981-F983 PolarHBondContact O-N 2.76Å; S981-F983 VanDerWaalsContact O-N 3.13Å; F983-I992 HydrophobicContact CB-CG2 4.19Å; F983-F993 CarbonylContact C-O 3.46Å; F983-F993 WeakPolarHBondContact CA-O 3.4Å; F983-F993 WeakPolarHBondContact CB-O 3.35Å; F983-I994 HydrophobicContact CD1-CG1 4.16Å; F983-I994 HydrophobicContact CE1-CG1 3.8Å; F983-L998 HydrophobicContact CZ-CD1 4.39Å; F983-L998 HydrophobicContact CZ-CD2 4.27Å; F983-Y1006 HydrophobicContact CD2-CD1 4.35Å; F983-Y1006 AromaticContact CE2-CD1 3.72Å; F983-Y1006 HydrophobicContact CE2-CD1 3.72Å; F983-Y1006 AromaticContact CE2-CD2 3.85Å; F983-Y1006 HydrophobicContact CE2-CD2 3.85Å; F983-Y1006 HydrophobicContact CE2-CE1 4.05Å; F983-Y1006 HydrophobicContact CE2-CE2 4.2Å; F983-Y1006 AromaticContact CE2-CG 3.6Å; F983-Y1006 HydrophobicContact CE2-CG 3.6Å; F983-Y1006 HydrophobicContact CZ-CD2 4.23Å; F983-Y1006 HydrophobicContact CZ-CE2 4.49Å; F983-Y1006 HydrophobicContact CZ-CG 4.4Å; F983-L1008 HydrophobicContact CB-CD1 3.87Å; F983-L1008 HydrophobicContact CD2-CD1 4.07Å; F983-L1008 HydrophobicContact CD2-CD2 4.28Å; F983-L1008 HydrophobicContact CG-CD1 4.1Å; F983-I1027 HydrophobicContact CD1-CD1 3.69Å; F983-I1027 HydrophobicContact CD2-CD1 3.89Å; F983-I1027 HydrophobicContact CE1-CD1 3.57Å; F983-I1027 HydrophobicContact CE1-CG2 4.22Å; F983-I1027 HydrophobicContact CE2-CD1 3.8Å; F983-I1027 HydrophobicContact CG-CD1 3.85Å; F983-I1027 HydrophobicContact CZ-CB 4.3Å; F983-I1027 HydrophobicContact CZ-CD1 3.64Å; F983-I1027 HydrophobicContact CZ-CG2 3.96Å |
| 984 | S | 84.5 | Confident | 74.7 | Confident | 34 Ų | 34 | 42.8 Ų | 42.8 | 24% | 0.238 | 27% | 0.27 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.3 | 175.4 | 173.4 | -85.6 | 0 | 0 | 0 | 0 | 111.1 | I992 F993 N995 | S984-I992 CarbonylContact O-C 3.49Å; S984-I992 VanDerWaalsContact O-CA 3.27Å; S984-I992 WeakPolarHBondContact O-CA 3.48Å; S984-F993 PolarHBondContact N-O 3.5Å; S984-F993 PolarHBondContact O-N 3.18Å; S984-N995 VanDerWaalsContact CB-OD1 3.32Å; S984-N995 WeakPolarHBondContact CB-OD1 3.32Å; S984-N995 PolarHBondContact OG-OD1 2.93Å |
| 985 | V | 82.1 | Confident | 74.9 | Confident | 24 Ų | 24 | 44.4 Ų | 44.4 | 15% | 0.145 | 28% | 0.279 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.5 | 137.1 | 173.2 | 64.8 | 0 | 0 | 0 | 0 | 112.2 | L973 A987 G990 T991 I992 L1010 | L973-V985 HydrophobicContact CB-CG1 3.96Å; L973-V985 HydrophobicContact CD1-CB 3.92Å; L973-V985 HydrophobicContact CD1-CG1 4.18Å; L973-V985 HydrophobicContact CG-CB 3.79Å; L973-V985 HydrophobicContact CG-CG1 3.66Å; L973-V985 VanDerWaalsContact N-CG1 3.34Å; V985-A987 PolarHBondContact O-N 3.4Å; V985-G990 VanDerWaalsContact CG2-C 3.5Å; V985-T991 CarbonylContact C-O 3.57Å; V985-T991 WeakPolarHBondContact CA-O 3.17Å; V985-T991 WeakPolarHBondContact CG2-O 3.2Å; V985-I992 HydrophobicContact CB-CG1 4.18Å; V985-I992 HydrophobicContact CG2-CG1 4.03Å; V985-L1010 HydrophobicContact CB-CD1 4.14Å; V985-L1010 HydrophobicContact CG1-CD1 3.95Å; V985-L1010 HydrophobicContact CG2-CD1 3.75Å |
| 986 | G | 80.2 | Confident | 75.4 | Confident | 17 Ų | 17 | 44.6 Ų | 44.6 | 18% | 0.175 | 27% | 0.27 | C | S | . | . | trans | -66.1 | 122.8 | 174.9 | 0 | 0 | 0 | 0 | 0 | 111.3 | T988 S989 G990 T991 | G986-T988 PolarHBondContact O-N 2.92Å; G986-T988 VanDerWaalsContact O-N 3.12Å; G986-S989 WeakPolarHBondContact CA-OG 3.26Å; G986-S989 PolarHBondContact O-N 3.09Å; G986-S989 PolarHBondContact O-OG 2.89Å; G986-G990 PolarHBondContact O-N 3.47Å; G986-T991 PolarHBondContact N-O 3.24Å | ||
| 987 | A | 74.2 | Confident | 76.1 | Confident | 57 Ų | 57 | 40 Ų | 40 | 47% | 0.471 | 26% | 0.264 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -65.1 | -19.5 | -164.8 | 0 | 0 | 0 | 0 | 0 | 115.1 | R970 Y971 V985 | R970-A987 CarbonylContact C-O 3.59Å; R970-A987 WeakPolarHBondContact CA-O 3.35Å; Y971-A987 PolarHBondContact N-O 3.1Å; V985-A987 PolarHBondContact O-N 3.4Å |
| 988 | T | 66.7 | Low | 77 | Confident | 84 Ų | 84 | 38.8 Ų | 38.8 | 52% | 0.515 | 25% | 0.248 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -121.1 | -10.9 | 174.6 | 51.2 | 0 | 0 | 0 | 0 | 113.4 | L969 Y971 G986 | L969-T988 WeakPolarHBondContact O-CA 3.3Å; Y971-T988 VanDerWaalsContact CE2-O 3.23Å; Y971-T988 WeakPolarHBondContact CE2-O 3.27Å; G986-T988 PolarHBondContact O-N 2.92Å; G986-T988 VanDerWaalsContact O-N 3.12Å |
| 989 | S | 77.8 | Confident | 76.8 | Confident | 39 Ų | 39 | 40.8 Ų | 40.8 | 27% | 0.273 | 26% | 0.258 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -96 | -24.6 | -177.4 | 62.5 | 0 | 0 | 0 | 0 | 113.9 | T957 G986 T991 | T957-S989 WeakPolarHBondContact CG2-O 3.34Å; G986-S989 WeakPolarHBondContact CA-OG 3.26Å; G986-S989 PolarHBondContact O-N 3.09Å; G986-S989 PolarHBondContact O-OG 2.89Å; S989-T991 PolarHBondContact O-N 3.32Å; S989-T991 PolarHBondContact OG-N 2.72Å; S989-T991 PolarHBondContact OG-OG1 3.29Å |
| 990 | G | 78.9 | Confident | 77.5 | Confident | 0 Ų | 0 | 38.4 Ų | 38.4 | 0% | 0 | 24% | 0.242 | C | C | . | . | trans | 69.3 | 12 | -171.6 | 0 | 0 | 0 | 0 | 0 | 113.7 | V958 V985 G986 | V958-G990 PolarHBondContact N-O 2.04Å; V958-G990 WeakPolarHBondContact O-CA 3.24Å; V985-G990 VanDerWaalsContact CG2-C 3.5Å; G986-G990 PolarHBondContact O-N 3.47Å | ||
| 991 | T | 79.6 | Confident | 77.8 | Confident | 14 Ų | 14 | 41.6 Ų | 41.6 | 9% | 0.086 | 24% | 0.241 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -81.9 | 120.9 | -178.4 | -61.7 | 0 | 0 | 0 | 0 | 111.6 | N954 T957 V985 G986 S989 | N954-T991 HydrophobicContact CB-CG2 3.68Å; N954-T991 WeakPolarHBondContact ND2-CG2 3.37Å; N954-T991 WeakPolarHBondContact OD1-CG2 3.38Å; T957-T991 VanDerWaalsContact CG2-OG1 3.22Å; T957-T991 WeakPolarHBondContact CG2-OG1 3.28Å; T957-T991 WeakPolarHBondContact OG1-CG2 3.37Å; T957-T991 PolarHBondContact OG1-OG1 2.87Å; V985-T991 CarbonylContact C-O 3.57Å; V985-T991 WeakPolarHBondContact CA-O 3.17Å; V985-T991 WeakPolarHBondContact CG2-O 3.2Å; G986-T991 PolarHBondContact N-O 3.24Å; S989-T991 PolarHBondContact O-N 3.32Å; S989-T991 PolarHBondContact OG-N 2.72Å; S989-T991 PolarHBondContact OG-OG1 3.29Å |
| 992 | I | 81.9 | Confident | 77.6 | Confident | 0 Ų | 0 | 48.1 Ų | 48.1 | 0% | 0 | 26% | 0.256 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.7 | 126.2 | 178.8 | -64.1 | 164.7 | 0 | 0 | 0 | 109.4 | N954 V955 M956 V958 L973 F983 S984 V985 L1008 L1010 I1025 | N954-I992 CarbonylContact C-O 3.55Å; N954-I992 WeakPolarHBondContact CA-O 3.32Å; V955-I992 PolarHBondContact N-O 2.94Å; M956-I992 HydrophobicContact CE-CD1 4.48Å; M956-I992 HydrophobicContact CG-CB 4.46Å; M956-I992 PolarHBondContact N-O 3.11Å; M956-I992 PolarHBondContact O-N 2.94Å; V958-I992 HydrophobicContact CG2-CD1 4.4Å; L973-I992 HydrophobicContact CD1-CG1 4.29Å; L973-I992 HydrophobicContact CD1-CG2 4.22Å; L973-I992 HydrophobicContact CD2-CD1 4.07Å; L973-I992 HydrophobicContact CD2-CG1 4.25Å; L973-I992 HydrophobicContact CG-CG1 4.46Å; F983-I992 HydrophobicContact CB-CG2 4.19Å; S984-I992 CarbonylContact O-C 3.49Å; S984-I992 VanDerWaalsContact O-CA 3.27Å; S984-I992 WeakPolarHBondContact O-CA 3.48Å; V985-I992 HydrophobicContact CB-CG1 4.18Å; V985-I992 HydrophobicContact CG2-CG1 4.03Å; I992-L1008 HydrophobicContact CG2-CD1 4.24Å; I992-L1010 HydrophobicContact CD1-CD2 4.43Å; I992-I1025 HydrophobicContact CD1-CD1 3.41Å; I992-I1025 VanDerWaalsContact CD1-CD1 3.41Å; I992-I1025 HydrophobicContact CD1-CG1 3.63Å; I992-I1025 HydrophobicContact CD1-CG2 4.39Å |
| 993 | F | 81.3 | Confident | 77.5 | Confident | 53 Ų | 53 | 50.5 Ų | 50.5 | 23% | 0.232 | 27% | 0.266 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.8 | 155.1 | -171.3 | 64 | -90.6 | 0 | 0 | 0 | 113.4 | G952 Q953 N954 F983 S984 N995 | G952-F993 WeakPolarHBondContact O-CB 3.34Å; Q953-F993 CarbonylContact O-C 3.32Å; Q953-F993 VanDerWaalsContact O-CA 3.25Å; Q953-F993 WeakPolarHBondContact O-CA 3.28Å; N954-F993 WeakPolarHBondContact OD1-CB 3.37Å; F983-F993 CarbonylContact C-O 3.46Å; F983-F993 WeakPolarHBondContact CA-O 3.4Å; F983-F993 WeakPolarHBondContact CB-O 3.35Å; S984-F993 PolarHBondContact N-O 3.5Å; S984-F993 PolarHBondContact O-N 3.18Å; F993-N995 PolarHBondContact O-N 3.1Å |
| 994 | I | 80.3 | Confident | 77.2 | Confident | 0 Ų | 0 | 54.9 Ų | 54.9 | 0% | 0 | 29% | 0.285 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -61.6 | 129.5 | 174.9 | -64.2 | -176.9 | 0 | 0 | 0 | 109.6 | V945 A949 E950 G952 Q953 V955 A982 F983 E996 L998 | V945-I994 HydrophobicContact CG2-CD1 3.87Å; A949-I994 HydrophobicContact CB-CD1 3.5Å; A949-I994 VanDerWaalsContact CB-CD1 3.5Å; E950-I994 WeakPolarHBondContact O-CB 3.41Å; G952-I994 WeakPolarHBondContact CA-O 3.47Å; G952-I994 PolarHBondContact N-O 3.27Å; Q953-I994 HydrophobicContact CB-CB 4.28Å; Q953-I994 HydrophobicContact CB-CD1 3.91Å; Q953-I994 HydrophobicContact CB-CG1 4.14Å; Q953-I994 HydrophobicContact CG-CD1 4.21Å; Q953-I994 WeakPolarHBondContact O-CG1 3.24Å; Q953-I994 PolarHBondContact O-N 3.02Å; V955-I994 HydrophobicContact CG2-CG1 4.07Å; A982-I994 CarbonylContact O-C 3.44Å; A982-I994 WeakPolarHBondContact O-CA 3.37Å; F983-I994 HydrophobicContact CD1-CG1 4.16Å; F983-I994 HydrophobicContact CE1-CG1 3.8Å; I994-E996 WeakPolarHBondContact CG2-O 3.44Å; I994-L998 HydrophobicContact CD1-CD1 3.63Å; I994-L998 HydrophobicContact CD1-CG 4.03Å; I994-L998 HydrophobicContact CG1-CD1 4.31Å; I994-L998 HydrophobicContact CG2-CG 4.47Å |
| 995 | N | 77.1 | Confident | 76.9 | Confident | 54 Ų | 54 | 58.9 Ų | 58.9 | 29% | 0.289 | 30% | 0.303 | S | S | . | . | trans | -120.8 | -9.5 | -178.4 | -176.5 | 107.7 | 0 | 0 | 0 | 112.7 | S981 A982 S984 F993 | S981-N995 VanDerWaalsContact O-CB 3.3Å; S981-N995 WeakPolarHBondContact O-CB 3.43Å; S981-N995 PolarHBondContact O-ND2 2.95Å; A982-N995 PolarHBondContact O-N 3.11Å; S984-N995 VanDerWaalsContact CB-OD1 3.32Å; S984-N995 WeakPolarHBondContact CB-OD1 3.32Å; S984-N995 PolarHBondContact OG-OD1 2.93Å; F993-N995 PolarHBondContact O-N 3.1Å | ||
| 996 | E | 73.7 | Confident | 77 | Confident | 95 Ų | 95 | 59 Ų | 59 | 44% | 0.444 | 30% | 0.301 | S | S | . | . | S | Bend | trans | -139.5 | 149.8 | 166.5 | -72.5 | -84.3 | 153.2 | 0 | 0 | 108.9 | G980 I994 | G980-E996 WeakPolarHBondContact O-CG 3.33Å; I994-E996 WeakPolarHBondContact CG2-O 3.44Å |
| 997 | P | 74.6 | Confident | 76.9 | Confident | 85 Ų | 85 | 61.2 Ų | 61.2 | 55% | 0.552 | 31% | 0.309 | S | S | * | . | trans | -57.1 | 145.3 | -177.9 | -21.5 | 30.8 | 0 | 0 | 0 | 113 | V951 | V951-P997 HydrophobicContact CG2-CB 4.26Å; V951-P997 HydrophobicContact CG2-CG 3.59Å | ||
| 998 | L | 81.4 | Confident | 77.3 | Confident | 15 Ų | 15 | 58.6 Ų | 58.6 | 8% | 0.079 | 29% | 0.287 | C | S | . | . | trans | -93.8 | 160.8 | 172.6 | -56.8 | -174.9 | 0 | 0 | 0 | 111 | V945 E947 F983 I994 Y1006 V1029 | V945-L998 HydrophobicContact CB-CD1 4.3Å; V945-L998 HydrophobicContact CG1-CD1 3.33Å; V945-L998 HydrophobicContact CG2-CD1 4.01Å; E947-L998 CarbonylContact O-C 3.5Å; E947-L998 VanDerWaalsContact O-O 3.1Å; F983-L998 HydrophobicContact CZ-CD1 4.39Å; F983-L998 HydrophobicContact CZ-CD2 4.27Å; I994-L998 HydrophobicContact CD1-CD1 3.63Å; I994-L998 HydrophobicContact CD1-CG 4.03Å; I994-L998 HydrophobicContact CG1-CD1 4.31Å; I994-L998 HydrophobicContact CG2-CG 4.47Å; L998-Y1006 HydrophobicContact CD2-CE2 4.22Å; L998-V1029 HydrophobicContact CD1-CG2 4.32Å | ||
| 999 | D | 73.4 | Confident | 78 | Confident | 59 Ų | 59 | 55.7 Ų | 55.7 | 32% | 0.316 | 27% | 0.269 | S | S | . | . | trans | -163.3 | 112.3 | -164.4 | 167.9 | -19.8 | 0 | 0 | 0 | 106.2 | E1001 R1002 K1003 | D999-E1001 PolarHBondContact OD1-N 2.86Å; D999-R1002 HydrophobicContact CB-CB 3.81Å; D999-R1002 PolarHBondContact O-N 3.39Å; D999-R1002 WeakPolarHBondContact OD1-CB 3.2Å; D999-R1002 PolarHBondContact OD1-N 2.8Å; D999-R1002 WeakPolarHBondContact OD2-CB 3.49Å; D999-R1002 VanDerWaalsContact OD2-CD 3.32Å; D999-R1002 WeakPolarHBondContact OD2-CD 3.33Å; D999-K1003 PolarHBondContact O-N 2.88Å | ||
| 1000 | Y | 76.9 | Confident | 78.5 | Confident | 54 Ų | 54 | 53.8 Ų | 53.8 | 21% | 0.212 | 26% | 0.256 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -68.1 | -43.4 | -174.4 | -172 | -118.1 | 0 | 0 | 0 | 110 | E947 R1002 K1004 V1029 D1031 | E947-Y1000 VanDerWaalsContact OE1-CB 3.31Å; E947-Y1000 WeakPolarHBondContact OE1-CB 3.25Å; E947-Y1000 WeakPolarHBondContact OE2-CA 3.4Å; E947-Y1000 WeakPolarHBondContact OE2-CB 3.32Å; E947-Y1000 PolarHBondContact OE2-N 2.78Å; Y1000-R1002 PolarHBondContact O-N 2.83Å; Y1000-K1004 HydrophobicContact CD2-CD 3.8Å; Y1000-K1004 HydrophobicContact CD2-CG 3.88Å; Y1000-K1004 HydrophobicContact CE1-CD 4.35Å; Y1000-K1004 HydrophobicContact CE2-CD 3.48Å; Y1000-K1004 VanDerWaalsContact CE2-CD 3.48Å; Y1000-K1004 HydrophobicContact CE2-CG 3.96Å; Y1000-K1004 HydrophobicContact CG-CD 4.33Å; Y1000-K1004 WeakPolarHBondContact O-CE 3.33Å; Y1000-K1004 WeakPolarHBondContact O-CG 3.37Å; Y1000-V1029 HydrophobicContact CD2-CB 4.49Å; Y1000-V1029 HydrophobicContact CD2-CG1 4.37Å; Y1000-V1029 WeakPolarHBondContact CE2-O 3.41Å; Y1000-D1031 HydrophobicContact CD1-CB 3.74Å; Y1000-D1031 HydrophobicContact CD2-CB 4.49Å; Y1000-D1031 HydrophobicContact CE1-CB 3.46Å; Y1000-D1031 VanDerWaalsContact CE1-CB 3.46Å; Y1000-D1031 VanDerWaalsContact CE1-CG 3.47Å; Y1000-D1031 WeakPolarHBondContact CE1-OD2 2.95Å; Y1000-D1031 HydrophobicContact CE2-CB 4.27Å; Y1000-D1031 HydrophobicContact CG-CB 4.27Å |
| 1001 | E | 72.6 | Confident | 78.7 | Confident | 127 Ų | 127 | 56.6 Ų | 56.6 | 59% | 0.593 | 27% | 0.267 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -55.8 | -35.5 | 176.5 | -90.5 | 52.6 | -91.7 | 0 | 0 | 112.7 | D999 | D999-E1001 PolarHBondContact OD1-N 2.86Š|
| 1002 | R | 71.6 | Confident | 78.9 | Confident | 199 Ų | 199 | 56 Ų | 56 | 75% | 0.751 | 26% | 0.263 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -85.4 | -50 | -178 | -178.8 | 174.7 | 175.7 | 171.2 | -7.9 | 113.8 | D999 Y1000 | D999-R1002 HydrophobicContact CB-CB 3.81Å; D999-R1002 PolarHBondContact O-N 3.39Å; D999-R1002 WeakPolarHBondContact OD1-CB 3.2Å; D999-R1002 PolarHBondContact OD1-N 2.8Å; D999-R1002 WeakPolarHBondContact OD2-CB 3.49Å; D999-R1002 VanDerWaalsContact OD2-CD 3.32Å; D999-R1002 WeakPolarHBondContact OD2-CD 3.33Å; Y1000-R1002 PolarHBondContact O-N 2.83Å |
| 1003 | K | 74.5 | Confident | 78.7 | Confident | 50 Ų | 50 | 57.4 Ų | 57.4 | 22% | 0.217 | 27% | 0.272 | C | S | . | . | trans | -158.1 | 127.5 | -172.6 | -169.9 | 164.3 | 172.4 | -176 | 0 | 116.2 | D979 D999 L1005 Y1006 V1029 | D979-K1003 VanDerWaalsContact CG-NZ 3.35Å; D979-K1003 IonicContact OD2-NZ 3.39Å; D979-K1003 PolarHBondContact OD2-NZ 3.07Å; D999-K1003 PolarHBondContact O-N 2.88Å; K1003-L1005 WeakPolarHBondContact CE-O 3.37Å; K1003-Y1006 HydrophobicContact CB-CE2 4.47Å; K1003-Y1006 HydrophobicContact CD-CD2 4.47Å; K1003-Y1006 HydrophobicContact CD-CE1 4.01Å; K1003-Y1006 HydrophobicContact CD-CE2 3.82Å; K1003-Y1006 HydrophobicContact CG-CE2 3.9Å; K1003-V1029 VanDerWaalsContact O-CG2 3.27Å; K1003-V1029 WeakPolarHBondContact O-CG2 3.42Å | ||
| 1004 | K | 77.4 | Confident | 78.4 | Confident | 93 Ų | 93 | 55.5 Ų | 55.5 | 40% | 0.404 | 26% | 0.264 | S | S | . | . | trans | -107.8 | -0.9 | -171.1 | -53.4 | -174.7 | 177.8 | -170.1 | 0 | 116.5 | Y1000 A1028 V1029 | Y1000-K1004 HydrophobicContact CD2-CD 3.8Å; Y1000-K1004 HydrophobicContact CD2-CG 3.88Å; Y1000-K1004 HydrophobicContact CE1-CD 4.35Å; Y1000-K1004 HydrophobicContact CE2-CD 3.48Å; Y1000-K1004 VanDerWaalsContact CE2-CD 3.48Å; Y1000-K1004 HydrophobicContact CE2-CG 3.96Å; Y1000-K1004 HydrophobicContact CG-CD 4.33Å; Y1000-K1004 WeakPolarHBondContact O-CE 3.33Å; Y1000-K1004 WeakPolarHBondContact O-CG 3.37Å; K1004-A1028 WeakPolarHBondContact O-CA 3.13Å; K1004-V1029 PolarHBondContact O-N 2.78Å; K1004-V1029 VanDerWaalsContact O-N 3.11Å | ||
| 1005 | L | 78.8 | Confident | 77.7 | Confident | 117 Ų | 117 | 58.2 Ų | 58.2 | 61% | 0.613 | 29% | 0.292 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -162 | 143.9 | -176.9 | -164.6 | 76.9 | 0 | 0 | 0 | 115.4 | K1003 I1027 A1028 | K1003-L1005 WeakPolarHBondContact CE-O 3.37Å; L1005-I1027 CarbonylContact C-O 3.59Å; L1005-I1027 VanDerWaalsContact CA-O 3.29Å; L1005-I1027 WeakPolarHBondContact CA-O 3.26Å; L1005-I1027 WeakPolarHBondContact CD1-O 3.4Å; L1005-A1028 HydrophobicContact CD1-CB 3.63Å |
| 1006 | Y | 83.8 | Confident | 77.1 | Confident | 26 Ų | 26 | 58.7 Ų | 58.7 | 10% | 0.102 | 30% | 0.295 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -140.2 | 164.3 | 178.2 | -66.3 | -106 | 0 | 0 | 0 | 113.7 | D979 A982 F983 L998 K1003 Q1026 I1027 | D979-Y1006 HydrophobicContact CB-CD1 4.28Å; D979-Y1006 HydrophobicContact CB-CE1 3.96Å; A982-Y1006 HydrophobicContact CB-CD1 4.31Å; A982-Y1006 HydrophobicContact CB-CE1 3.46Å; A982-Y1006 VanDerWaalsContact CB-CE1 3.46Å; F983-Y1006 HydrophobicContact CD2-CD1 4.35Å; F983-Y1006 AromaticContact CE2-CD1 3.72Å; F983-Y1006 HydrophobicContact CE2-CD1 3.72Å; F983-Y1006 AromaticContact CE2-CD2 3.85Å; F983-Y1006 HydrophobicContact CE2-CD2 3.85Å; F983-Y1006 HydrophobicContact CE2-CE1 4.05Å; F983-Y1006 HydrophobicContact CE2-CE2 4.2Å; F983-Y1006 AromaticContact CE2-CG 3.6Å; F983-Y1006 HydrophobicContact CE2-CG 3.6Å; F983-Y1006 HydrophobicContact CZ-CD2 4.23Å; F983-Y1006 HydrophobicContact CZ-CE2 4.49Å; F983-Y1006 HydrophobicContact CZ-CG 4.4Å; L998-Y1006 HydrophobicContact CD2-CE2 4.22Å; K1003-Y1006 HydrophobicContact CB-CE2 4.47Å; K1003-Y1006 HydrophobicContact CD-CD2 4.47Å; K1003-Y1006 HydrophobicContact CD-CE1 4.01Å; K1003-Y1006 HydrophobicContact CD-CE2 3.82Å; K1003-Y1006 HydrophobicContact CG-CE2 3.9Å; Y1006-Q1026 WeakPolarHBondContact O-CA 3.45Å; Y1006-I1027 PolarHBondContact N-O 2.83Å; Y1006-I1027 PolarHBondContact O-N 2.87Å |
| 1007 | D | 78 | Confident | 76.7 | Confident | 65 Ų | 65 | 65.5 Ų | 65.5 | 35% | 0.348 | 32% | 0.317 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -151.8 | 126.9 | -176.5 | -159.6 | -56.2 | 0 | 0 | 0 | 110.3 | G977 I1025 Q1026 | G977-D1007 CarbonylContact C-O 3.49Å; G977-D1007 WeakPolarHBondContact CA-O 3.47Å; D1007-I1025 CarbonylContact C-O 3.53Å; D1007-I1025 WeakPolarHBondContact CA-O 3.4Å; D1007-Q1026 PolarHBondContact OD2-NE2 2.83Å |
| 1008 | L | 84.2 | Confident | 76.4 | Confident | 1 Ų | 1 | 70 Ų | 70 | 1% | 0.005 | 33% | 0.331 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.5 | 172.4 | -168.7 | -33.8 | 168.2 | 0 | 0 | 0 | 114 | L973 N978 F983 I992 R1024 I1025 I1027 | L973-L1008 HydrophobicContact CD1-CD1 4.47Å; L973-L1008 HydrophobicContact CD2-CB 4.27Å; L973-L1008 HydrophobicContact CD2-CD1 4.47Å; N978-L1008 HydrophobicContact CB-CD2 3.8Å; F983-L1008 HydrophobicContact CB-CD1 3.87Å; F983-L1008 HydrophobicContact CD2-CD1 4.07Å; F983-L1008 HydrophobicContact CD2-CD2 4.28Å; F983-L1008 HydrophobicContact CG-CD1 4.1Å; I992-L1008 HydrophobicContact CG2-CD1 4.24Å; L1008-R1024 WeakPolarHBondContact O-CG 3.22Å; L1008-I1025 HydrophobicContact CB-CB 3.95Å; L1008-I1025 HydrophobicContact CB-CG1 4.21Å; L1008-I1025 HydrophobicContact CD1-CB 4.43Å; L1008-I1025 HydrophobicContact CD1-CG2 4.29Å; L1008-I1025 HydrophobicContact CG-CB 4.37Å; L1008-I1025 PolarHBondContact N-O 3.25Å; L1008-I1025 PolarHBondContact O-N 3.25Å; L1008-I1027 HydrophobicContact CD1-CD1 3.95Å |
| 1009 | V | 81.3 | Confident | 76 | Confident | 23 Ų | 23 | 71.2 Ų | 71.2 | 14% | 0.139 | 34% | 0.335 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -138.7 | 144.2 | 177.9 | -170.7 | 0 | 0 | 0 | 0 | 110.9 | L973 D974 Y1011 A1023 R1024 | L973-V1009 WeakPolarHBondContact CA-O 3.38Å; L973-V1009 WeakPolarHBondContact CD2-O 3.44Å; D974-V1009 HydrophobicContact CB-CB 3.83Å; D974-V1009 PolarHBondContact N-O 3.28Å; V1009-Y1011 HydrophobicContact CG1-CE2 4.44Å; V1009-A1023 WeakPolarHBondContact CA-O 3.42Å; V1009-A1023 VanDerWaalsContact CG1-O 3.28Å; V1009-A1023 WeakPolarHBondContact CG1-O 3.01Å; V1009-R1024 HydrophobicContact CG2-CG 3.96Å |
| 1010 | L | 87.1 | Confident | 76.1 | Confident | 0 Ų | 0 | 73.4 Ų | 73.4 | 0% | 0 | 35% | 0.347 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.5 | 152.8 | -174.3 | -174.8 | 73.2 | 0 | 0 | 0 | 112.7 | F936 V958 S972 L973 V985 I992 Q1022 A1023 | F936-L1010 HydrophobicContact CE1-CD2 4.15Å; F936-L1010 HydrophobicContact CZ-CD2 3.87Å; F936-L1010 HydrophobicContact CZ-CG 4.17Å; V958-L1010 HydrophobicContact CB-CD2 3.47Å; V958-L1010 VanDerWaalsContact CB-CD2 3.47Å; V958-L1010 HydrophobicContact CG1-CD2 3.86Å; V958-L1010 HydrophobicContact CG2-CD2 3.84Å; S972-L1010 CarbonylContact O-C 3.56Å; S972-L1010 WeakPolarHBondContact O-CA 3.43Å; S972-L1010 WeakPolarHBondContact O-CD1 3.36Å; L973-L1010 HydrophobicContact CD2-CB 4.15Å; L973-L1010 HydrophobicContact CD2-CD1 3.88Å; L973-L1010 HydrophobicContact CG-CD1 4Å; V985-L1010 HydrophobicContact CB-CD1 4.14Å; V985-L1010 HydrophobicContact CG1-CD1 3.95Å; V985-L1010 HydrophobicContact CG2-CD1 3.75Å; I992-L1010 HydrophobicContact CD1-CD2 4.43Å; L1010-Q1022 CarbonylContact O-C 3.6Å; L1010-Q1022 WeakPolarHBondContact O-CA 3.42Å; L1010-Q1022 VanDerWaalsContact O-CB 3.31Å; L1010-Q1022 WeakPolarHBondContact O-CB 3.35Å; L1010-A1023 PolarHBondContact N-O 2.78Å; L1010-A1023 PolarHBondContact O-N 3.17Å |
| 1011 | Y | 83 | Confident | 76.4 | Confident | 58 Ų | 58 | 72 Ų | 72 | 23% | 0.227 | 35% | 0.346 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.7 | 160.7 | 175.9 | -64.7 | -80.4 | 0 | 0 | 0 | 113.3 | Y971 S972 D974 V1009 L1020 A1021 Q1022 | Y971-Y1011 CarbonylContact C-O 3.31Å; Y971-Y1011 VanDerWaalsContact CA-O 3.23Å; Y971-Y1011 WeakPolarHBondContact CA-O 3.38Å; S972-Y1011 PolarHBondContact N-O 3.48Å; S972-Y1011 PolarHBondContact O-N 3.34Å; D974-Y1011 HydrophobicContact CB-CE2 4.47Å; V1009-Y1011 HydrophobicContact CG1-CE2 4.44Å; Y1011-L1020 HydrophobicContact CD1-CD2 4.49Å; Y1011-A1021 CarbonylContact C-O 3.57Å; Y1011-A1021 VanDerWaalsContact CA-O 3.25Å; Y1011-A1021 WeakPolarHBondContact CA-O 3.46Å; Y1011-Q1022 HydrophobicContact CD1-CB 3.57Å; Y1011-Q1022 HydrophobicContact CE1-CB 3.56Å; Y1011-Q1022 HydrophobicContact CE1-CG 4.39Å; Y1011-Q1022 HydrophobicContact CG-CB 4.44Å; Y1011-Q1022 PolarHBondContact OH-OE1 3.49Å |
| 1012 | V | 83.3 | Confident | 76.7 | Confident | 1 Ų | 1 | 71.8 Ų | 71.8 | 1% | 0.006 | 35% | 0.345 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -148.1 | 147.7 | 168.6 | 68.9 | 0 | 0 | 0 | 0 | 113 | F936 A960 L969 R970 Y971 L1020 A1021 | F936-V1012 HydrophobicContact CD1-CG1 4.3Å; F936-V1012 HydrophobicContact CD2-CG1 3.83Å; F936-V1012 HydrophobicContact CE1-CB 4.13Å; F936-V1012 HydrophobicContact CE1-CG1 3.92Å; F936-V1012 HydrophobicContact CE2-CB 3.9Å; F936-V1012 HydrophobicContact CE2-CG1 3.39Å; F936-V1012 HydrophobicContact CG-CG1 4.27Å; F936-V1012 HydrophobicContact CZ-CB 3.54Å; F936-V1012 HydrophobicContact CZ-CG1 3.46Å; F936-V1012 VanDerWaalsContact CZ-CG1 3.46Å; A960-V1012 HydrophobicContact CB-CB 4.44Å; A960-V1012 HydrophobicContact CB-CG1 3.79Å; A960-V1012 HydrophobicContact CB-CG2 4.05Å; L969-V1012 HydrophobicContact CB-CG2 4.37Å; R970-V1012 CarbonylContact O-C 3.52Å; R970-V1012 VanDerWaalsContact O-CA 3.23Å; R970-V1012 WeakPolarHBondContact O-CA 3.46Å; Y971-V1012 HydrophobicContact CD1-CB 3.7Å; Y971-V1012 HydrophobicContact CD1-CG2 3.57Å; Y971-V1012 HydrophobicContact CD2-CG2 4.05Å; Y971-V1012 HydrophobicContact CE1-CB 3.88Å; Y971-V1012 HydrophobicContact CE1-CG2 3.46Å; Y971-V1012 VanDerWaalsContact CE1-CG2 3.46Å; Y971-V1012 HydrophobicContact CE2-CG2 3.94Å; Y971-V1012 HydrophobicContact CG-CB 4.24Å; Y971-V1012 HydrophobicContact CG-CG2 3.87Å; V1012-L1020 CarbonylContact O-C 3.49Å; V1012-L1020 VanDerWaalsContact O-CA 3.29Å; V1012-L1020 WeakPolarHBondContact O-CA 3.25Å; V1012-L1020 WeakPolarHBondContact O-CD1 3.34Å; V1012-A1021 HydrophobicContact CG1-CB 3.93Å; V1012-A1021 PolarHBondContact N-O 3.47Å; V1012-A1021 PolarHBondContact O-N 3.11Å |
| 1013 | T | 78 | Confident | 77.3 | Confident | 31 Ų | 31 | 62.6 Ų | 62.6 | 19% | 0.19 | 31% | 0.312 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -148.6 | 156.4 | 175.4 | 174.6 | 0 | 0 | 0 | 0 | 111.5 | L969 R970 G1015 N1016 H1019 L1020 | L969-T1013 CarbonylContact C-O 3.57Å; L969-T1013 WeakPolarHBondContact CA-O 3.41Å; R970-T1013 PolarHBondContact N-O 2.86Å; R970-T1013 PolarHBondContact O-N 2.88Å; T1013-G1015 PolarHBondContact OG1-N 2.93Å; T1013-N1016 PolarHBondContact OG1-O 3.45Å; T1013-N1016 VanDerWaalsContact OG1-O 3.06Å; T1013-H1019 WeakPolarHBondContact CA-O 3.42Å; T1013-H1019 WeakPolarHBondContact CB-O 3.41Å; T1013-H1019 PolarHBondContact OG1-O 3.33Å; T1013-L1020 HydrophobicContact CG2-CD1 4.35Å |
| 1014 | D | 76.2 | Confident | 77.5 | Confident | 12 Ų | 12 | 67 Ų | 67 | 6% | 0.064 | 33% | 0.327 | C | S | . | . | S | Bend | trans | -84.3 | -2.2 | 172.8 | 64.2 | -16.7 | 0 | 0 | 0 | 114.2 | P934 E968 L969 N1016 H1019 | P934-D1014 HydrophobicContact CG-CB 4.13Å; E968-D1014 CarbonylContact O-C 3.6Å; E968-D1014 WeakPolarHBondContact O-CA 3.43Å; L969-D1014 HydrophobicContact CD2-CB 3.83Å; D1014-N1016 WeakPolarHBondContact OD1-CA 3.32Å; D1014-N1016 VanDerWaalsContact OD1-CB 3.31Å; D1014-N1016 WeakPolarHBondContact OD1-CB 3.41Å; D1014-N1016 PolarHBondContact OD1-N 2.83Å; D1014-H1019 WeakPolarHBondContact OD1-CB 3.28Å; D1014-H1019 IonicContact OD1-CG 3.4Å; D1014-H1019 IonicContact OD1-ND1 3.97Å; D1014-H1019 IonicContact OD2-CE1 2.64Å; D1014-H1019 IonicContact OD2-CG 2.76Å; D1014-H1019 IonicContact OD2-ND1 3.85Å; D1014-H1019 PolarHBondContact OD2-ND1 2.98Å |
| 1015 | G | 65.5 | Low | 77.9 | Confident | 57 Ų | 57 | 62.6 Ų | 62.6 | 59% | 0.588 | 31% | 0.308 | S | S | * | . | S | Bend | trans | 105.1 | -23.7 | -170.5 | 0 | 0 | 0 | 0 | 0 | 113.4 | T1013 | T1013-G1015 PolarHBondContact OG1-N 2.93Š|
| 1016 | N | 65 | Low | 77.9 | Confident | 65 Ų | 65 | 59.8 Ų | 59.8 | 35% | 0.348 | 29% | 0.292 | S | S | . | . | trans | -78.1 | 126 | 168.2 | -178.8 | -4 | 0 | 0 | 0 | 110.2 | T1013 D1014 E1018 H1019 | T1013-N1016 PolarHBondContact OG1-O 3.45Å; T1013-N1016 VanDerWaalsContact OG1-O 3.06Å; D1014-N1016 WeakPolarHBondContact OD1-CA 3.32Å; D1014-N1016 VanDerWaalsContact OD1-CB 3.31Å; D1014-N1016 WeakPolarHBondContact OD1-CB 3.41Å; D1014-N1016 PolarHBondContact OD1-N 2.83Å; N1016-E1018 PolarHBondContact O-N 2.86Å; N1016-E1018 PolarHBondContact OD1-N 2.73Å; N1016-E1018 VanDerWaalsContact OD1-N 3.14Å; N1016-H1019 HydrophobicContact CB-CB 4.05Å; N1016-H1019 PolarHBondContact ND2-CE1 3.13Å; N1016-H1019 PolarHBondContact ND2-ND1 3.33Å; N1016-H1019 PolarHBondContact ND2-NE2 3.22Å; N1016-H1019 WeakPolarHBondContact O-CB 3.31Å; N1016-H1019 PolarHBondContact O-N 3.31Å | ||
| 1017 | R | 63.8 | Low | 78 | Confident | 237 Ų | 237 | 58.6 Ų | 58.6 | 89% | 0.894 | 29% | 0.287 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -71 | -13.4 | -174.7 | -69 | -175.7 | 175.9 | -177.1 | -0.7 | 114.9 | ||
| 1018 | E | 68.1 | Low | 77.7 | Confident | 181 Ų | 181 | 56.6 Ų | 56.6 | 85% | 0.846 | 28% | 0.279 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -87.2 | -11.4 | 172.4 | -55.4 | -151.5 | 160.6 | 0 | 0 | 112.4 | N1016 | N1016-E1018 PolarHBondContact O-N 2.86Å; N1016-E1018 PolarHBondContact OD1-N 2.73Å; N1016-E1018 VanDerWaalsContact OD1-N 3.14Å |
| 1019 | H | 74.1 | Confident | 77.7 | Confident | 39 Ų | 39 | 57.1 Ų | 57.1 | 18% | 0.181 | 28% | 0.283 | C | S | . | . | trans | -106.3 | 82.8 | -172.8 | -67.5 | -174.5 | 0 | 0 | 0 | 109.5 | N932 A933 T1013 D1014 N1016 | N932-H1019 PolarHBondContact O-CE1 3Å; N932-H1019 PolarHBondContact O-ND1 2.75Å; A933-H1019 HydrophobicContact CB-CB 4Å; A933-H1019 VanDerWaalsContact CB-CG 3.45Å; A933-H1019 WeakPolarHBondContact CB-ND1 3.27Å; T1013-H1019 WeakPolarHBondContact CA-O 3.42Å; T1013-H1019 WeakPolarHBondContact CB-O 3.41Å; T1013-H1019 PolarHBondContact OG1-O 3.33Å; D1014-H1019 WeakPolarHBondContact OD1-CB 3.28Å; D1014-H1019 IonicContact OD1-CG 3.4Å; D1014-H1019 IonicContact OD1-ND1 3.97Å; D1014-H1019 IonicContact OD2-CE1 2.64Å; D1014-H1019 IonicContact OD2-CG 2.76Å; D1014-H1019 IonicContact OD2-ND1 3.85Å; D1014-H1019 PolarHBondContact OD2-ND1 2.98Å; N1016-H1019 HydrophobicContact CB-CB 4.05Å; N1016-H1019 PolarHBondContact ND2-CE1 3.13Å; N1016-H1019 PolarHBondContact ND2-ND1 3.33Å; N1016-H1019 PolarHBondContact ND2-NE2 3.22Å; N1016-H1019 WeakPolarHBondContact O-CB 3.31Å; N1016-H1019 PolarHBondContact O-N 3.31Å | ||
| 1020 | L | 75.6 | Confident | 77.1 | Confident | 106 Ų | 106 | 59.8 Ų | 59.8 | 56% | 0.555 | 29% | 0.294 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -142.2 | 128.6 | -170.8 | -175.8 | 83.9 | 0 | 0 | 0 | 113.2 | Y1011 V1012 T1013 | Y1011-L1020 HydrophobicContact CD1-CD2 4.49Å; V1012-L1020 CarbonylContact O-C 3.49Å; V1012-L1020 VanDerWaalsContact O-CA 3.29Å; V1012-L1020 WeakPolarHBondContact O-CA 3.25Å; V1012-L1020 WeakPolarHBondContact O-CD1 3.34Å; T1013-L1020 HydrophobicContact CG2-CD1 4.35Å |
| 1021 | A | 81.7 | Confident | 76.2 | Confident | 23 Ų | 23 | 63.9 Ų | 63.9 | 19% | 0.19 | 32% | 0.315 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.2 | 169.5 | 175.4 | 0 | 0 | 0 | 0 | 0 | 113.3 | F936 Y1011 V1012 | F936-A1021 HydrophobicContact CD2-CB 3.74Å; F936-A1021 HydrophobicContact CE2-CB 4.29Å; Y1011-A1021 CarbonylContact C-O 3.57Å; Y1011-A1021 VanDerWaalsContact CA-O 3.25Å; Y1011-A1021 WeakPolarHBondContact CA-O 3.46Å; V1012-A1021 HydrophobicContact CG1-CB 3.93Å; V1012-A1021 PolarHBondContact N-O 3.47Å; V1012-A1021 PolarHBondContact O-N 3.11Å |
| 1022 | Q | 80.8 | Confident | 75.6 | Confident | 124 Ų | 124 | 63.1 Ų | 63.1 | 58% | 0.579 | 32% | 0.317 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -150.8 | 155 | -175.4 | 71.1 | -173.3 | -34.5 | 0 | 0 | 115.9 | L1010 Y1011 | L1010-Q1022 CarbonylContact O-C 3.6Å; L1010-Q1022 WeakPolarHBondContact O-CA 3.42Å; L1010-Q1022 VanDerWaalsContact O-CB 3.31Å; L1010-Q1022 WeakPolarHBondContact O-CB 3.35Å; Y1011-Q1022 HydrophobicContact CD1-CB 3.57Å; Y1011-Q1022 HydrophobicContact CE1-CB 3.56Å; Y1011-Q1022 HydrophobicContact CE1-CG 4.39Å; Y1011-Q1022 HydrophobicContact CG-CB 4.44Å; Y1011-Q1022 PolarHBondContact OH-OE1 3.49Å |
| 1023 | A | 83 | Confident | 74.7 | Confident | 6 Ų | 6 | 66.1 Ų | 66.1 | 5% | 0.05 | 33% | 0.333 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -147.1 | 176.9 | 179.3 | 0 | 0 | 0 | 0 | 0 | 113.9 | F936 Y941 V958 V1009 L1010 | F936-A1023 HydrophobicContact CD2-CB 4.42Å; Y941-A1023 HydrophobicContact CE2-CB 4.08Å; V958-A1023 HydrophobicContact CG1-CB 4.48Å; V1009-A1023 WeakPolarHBondContact CA-O 3.42Å; V1009-A1023 VanDerWaalsContact CG1-O 3.28Å; V1009-A1023 WeakPolarHBondContact CG1-O 3.01Å; L1010-A1023 PolarHBondContact N-O 2.78Å; L1010-A1023 PolarHBondContact O-N 3.17Å |
| 1024 | R | 79.6 | Confident | 74.2 | Confident | 142 Ų | 142 | 68.6 Ų | 68.6 | 54% | 0.536 | 35% | 0.345 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.6 | 151 | -172.1 | -122.2 | -179.5 | 172.3 | -178.3 | -3.9 | 114.8 | S939 V940 Y941 L1008 V1009 | S939-R1024 PolarHBondContact O-N 2.86Å; S939-R1024 VanDerWaalsContact O-N 3.13Å; V940-R1024 CarbonylContact C-O 3.51Å; V940-R1024 VanDerWaalsContact CA-O 3.31Å; V940-R1024 WeakPolarHBondContact CA-O 3.42Å; V940-R1024 HydrophobicContact CB-CB 4.49Å; V940-R1024 HydrophobicContact CG1-CB 4.41Å; V940-R1024 HydrophobicContact CG2-CB 4.06Å; Y941-R1024 PolarHBondContact N-O 3.42Å; L1008-R1024 WeakPolarHBondContact O-CG 3.22Å; V1009-R1024 HydrophobicContact CG2-CG 3.96Å |
| 1025 | I | 85.6 | Confident | 73.8 | Confident | 0 Ų | 0 | 69.2 Ų | 69.2 | 0% | 0 | 35% | 0.348 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -140.4 | 148.4 | -164.7 | -40.7 | -66.4 | 0 | 0 | 0 | 112.7 | Y941 M956 V958 I992 D1007 L1008 I1027 | Y941-I1025 HydrophobicContact CD2-CD1 4.17Å; Y941-I1025 HydrophobicContact CG-CD1 4.48Å; Y941-I1025 CarbonylContact O-C 3.51Å; Y941-I1025 WeakPolarHBondContact O-CA 3.44Å; M956-I1025 HydrophobicContact CE-CD1 3.82Å; M956-I1025 HydrophobicContact SD-CD1 4.01Å; M956-I1025 HydrophobicContact SD-CG2 3.7Å; V958-I1025 HydrophobicContact CG2-CD1 4.28Å; I992-I1025 HydrophobicContact CD1-CD1 3.41Å; I992-I1025 VanDerWaalsContact CD1-CD1 3.41Å; I992-I1025 HydrophobicContact CD1-CG1 3.63Å; I992-I1025 HydrophobicContact CD1-CG2 4.39Å; D1007-I1025 CarbonylContact C-O 3.53Å; D1007-I1025 WeakPolarHBondContact CA-O 3.4Å; L1008-I1025 HydrophobicContact CB-CB 3.95Å; L1008-I1025 HydrophobicContact CB-CG1 4.21Å; L1008-I1025 HydrophobicContact CD1-CB 4.43Å; L1008-I1025 HydrophobicContact CD1-CG2 4.29Å; L1008-I1025 HydrophobicContact CG-CB 4.37Å; L1008-I1025 PolarHBondContact N-O 3.25Å; L1008-I1025 PolarHBondContact O-N 3.25Å; I1025-I1027 HydrophobicContact CG2-CD1 4.35Å; I1025-I1027 HydrophobicContact CG2-CG1 4.21Å |
| 1026 | Q | 77.1 | Confident | 74.2 | Confident | 59 Ų | 59 | 68.5 Ų | 68.5 | 28% | 0.276 | 34% | 0.337 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -142.8 | 142.5 | 170.5 | -42.9 | -171.9 | -75.6 | 0 | 0 | 112.3 | Y941 R942 G943 Y1006 D1007 | Y941-Q1026 PolarHBondContact O-N 3.28Å; Y941-Q1026 VanDerWaalsContact O-N 3.11Å; R942-Q1026 CarbonylContact C-O 3.53Å; R942-Q1026 VanDerWaalsContact CA-O 3.28Å; R942-Q1026 WeakPolarHBondContact CA-O 3.26Å; R942-Q1026 HydrophobicContact CG-CB 4.22Å; R942-Q1026 HydrophobicContact CG-CG 4.42Å; R942-Q1026 VanDerWaalsContact NH2-OE1 3.15Å; G943-Q1026 PolarHBondContact N-O 2.8Å; Y1006-Q1026 WeakPolarHBondContact O-CA 3.45Å; D1007-Q1026 PolarHBondContact OD2-NE2 2.83Å |
| 1027 | I | 87 | Confident | 74.8 | Confident | 1 Ų | 1 | 65.4 Ų | 65.4 | 1% | 0.005 | 32% | 0.32 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -141.4 | 141.2 | -169.4 | -49.2 | 169.4 | 0 | 0 | 0 | 111.6 | G943 V945 V955 F983 L1005 Y1006 L1008 I1025 | G943-I1027 WeakPolarHBondContact O-CA 3.39Å; V945-I1027 HydrophobicContact CG1-CG2 3.94Å; V955-I1027 HydrophobicContact CB-CD1 4.44Å; V955-I1027 HydrophobicContact CG1-CD1 3.98Å; V955-I1027 HydrophobicContact CG1-CG1 4.04Å; V955-I1027 HydrophobicContact CG1-CG2 3.95Å; V955-I1027 HydrophobicContact CG2-CD1 4.35Å; F983-I1027 HydrophobicContact CD1-CD1 3.69Å; F983-I1027 HydrophobicContact CD2-CD1 3.89Å; F983-I1027 HydrophobicContact CE1-CD1 3.57Å; F983-I1027 HydrophobicContact CE1-CG2 4.22Å; F983-I1027 HydrophobicContact CE2-CD1 3.8Å; F983-I1027 HydrophobicContact CG-CD1 3.85Å; F983-I1027 HydrophobicContact CZ-CB 4.3Å; F983-I1027 HydrophobicContact CZ-CD1 3.64Å; F983-I1027 HydrophobicContact CZ-CG2 3.96Å; L1005-I1027 CarbonylContact C-O 3.59Å; L1005-I1027 VanDerWaalsContact CA-O 3.29Å; L1005-I1027 WeakPolarHBondContact CA-O 3.26Å; L1005-I1027 WeakPolarHBondContact CD1-O 3.4Å; Y1006-I1027 PolarHBondContact N-O 2.83Å; Y1006-I1027 PolarHBondContact O-N 2.87Å; L1008-I1027 HydrophobicContact CD1-CD1 3.95Å; I1025-I1027 HydrophobicContact CG2-CD1 4.35Å; I1025-I1027 HydrophobicContact CG2-CG1 4.21Å |
| 1028 | A | 71.7 | Confident | 75.4 | Confident | 23 Ų | 23 | 58.7 Ų | 58.7 | 19% | 0.19 | 30% | 0.299 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.7 | 151.4 | -177.9 | 0 | 0 | 0 | 0 | 0 | 114.6 | G943 R944 V945 K1004 L1005 | G943-A1028 PolarHBondContact O-N 2.79Å; R944-A1028 CarbonylContact C-O 3.42Å; R944-A1028 VanDerWaalsContact CA-O 3.25Å; R944-A1028 WeakPolarHBondContact CA-O 3.48Å; R944-A1028 HydrophobicContact CG-CB 4.23Å; V945-A1028 WeakPolarHBondContact CG1-O 3.14Å; V945-A1028 PolarHBondContact N-O 2.81Å; K1004-A1028 WeakPolarHBondContact O-CA 3.13Å; L1005-A1028 HydrophobicContact CD1-CB 3.63Å |
| 1029 | V | 83.4 | Confident | 76 | Confident | 12 Ų | 12 | 50.6 Ų | 50.6 | 7% | 0.073 | 26% | 0.261 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.6 | 149.2 | -169.6 | -164.9 | 0 | 0 | 0 | 0 | 113.8 | V945 E947 L998 Y1000 K1003 K1004 | V945-V1029 HydrophobicContact CG1-CG2 4.18Å; V945-V1029 CarbonylContact O-C 3.58Å; V945-V1029 VanDerWaalsContact O-CA 3.25Å; V945-V1029 WeakPolarHBondContact O-CA 3.26Å; E947-V1029 HydrophobicContact CB-CG1 3.96Å; L998-V1029 HydrophobicContact CD1-CG2 4.32Å; Y1000-V1029 HydrophobicContact CD2-CB 4.49Å; Y1000-V1029 HydrophobicContact CD2-CG1 4.37Å; Y1000-V1029 WeakPolarHBondContact CE2-O 3.41Å; K1003-V1029 VanDerWaalsContact O-CG2 3.27Å; K1003-V1029 WeakPolarHBondContact O-CG2 3.42Å; K1004-V1029 PolarHBondContact O-N 2.78Å; K1004-V1029 VanDerWaalsContact O-N 3.11Å |
| 1030 | E | 68.6 | Low | 75.8 | Confident | 79 Ų | 79 | 53.2 Ų | 53.2 | 37% | 0.369 | 28% | 0.276 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.9 | 158 | -178.6 | -59.9 | -175.8 | 169.9 | 0 | 0 | 113.6 | R944 V945 R946 E947 | R944-E1030 IonicContact NH1-OE1 3.76Å; V945-E1030 PolarHBondContact O-N 2.86Å; R946-E1030 HydrophobicContact CG-CB 4.37Å; E947-E1030 PolarHBondContact N-O 2.94Å |
| 1031 | D | 68.3 | Low | 75.5 | Confident | 85 Ų | 85 | 53.3 Ų | 53.3 | 46% | 0.455 | 27% | 0.274 | S | S | . | . | trans | -93.1 | 141.4 | -161.9 | -169 | -15.4 | 0 | 0 | 0 | 114.4 | E947 Y1000 | E947-D1031 WeakPolarHBondContact OE1-CA 3.12Å; Y1000-D1031 HydrophobicContact CD1-CB 3.74Å; Y1000-D1031 HydrophobicContact CD2-CB 4.49Å; Y1000-D1031 HydrophobicContact CE1-CB 3.46Å; Y1000-D1031 VanDerWaalsContact CE1-CB 3.46Å; Y1000-D1031 VanDerWaalsContact CE1-CG 3.47Å; Y1000-D1031 WeakPolarHBondContact CE1-OD2 2.95Å; Y1000-D1031 HydrophobicContact CE2-CB 4.27Å; Y1000-D1031 HydrophobicContact CG-CB 4.27Å | ||
| 1032 | V | 72.3 | Confident | 74.9 | Confident | 42 Ų | 42 | 57.2 Ų | 57.2 | 26% | 0.255 | 30% | 0.297 | S | S | . | . | trans | -140 | 145.2 | -178.5 | -177 | 0 | 0 | 0 | 0 | 113.4 | E947 D1034 | E947-V1032 PolarHBondContact OE1-N 2.65Å; V1032-D1034 PolarHBondContact O-N 2.79Å | ||
| 1033 | N | 62.8 | Low | 74.5 | Confident | 65 Ų | 65 | 54.2 Ų | 54.2 | 35% | 0.348 | 29% | 0.285 | S | S | . | . | trans | -77.8 | 81.3 | 172.1 | -172 | 114.9 | 0 | 0 | 0 | 111.3 | D1068 S1073 | N1033-D1068 VanDerWaalsContact C-OD2 3.24Å; N1033-D1068 VanDerWaalsContact CA-CG 3.5Å; N1033-D1068 VanDerWaalsContact CA-OD2 3.23Å; N1033-D1068 WeakPolarHBondContact CA-OD2 3.36Å; N1033-D1068 HydrophobicContact CB-CB 4.28Å; N1033-D1068 PolarHBondContact ND2-OD2 2.83Å; N1033-D1068 WeakPolarHBondContact OD1-CB 3.4Å; N1033-D1068 PolarHBondContact OD1-OD2 3.43Å; N1033-S1073 WeakPolarHBondContact OD1-CB 3.06Å; N1033-S1073 PolarHBondContact OD1-OG 3.36Å | ||
| 1034 | D | 67.5 | Low | 74.2 | Confident | 82 Ų | 82 | 55 Ų | 55 | 44% | 0.439 | 29% | 0.287 | S | S | . | . | trans | -113.1 | -9.5 | 179.6 | 74.3 | 6.1 | 0 | 0 | 0 | 115.1 | V1032 A1036 D1068 | V1032-D1034 PolarHBondContact O-N 2.79Å; D1034-A1036 PolarHBondContact O-N 2.85Å; D1034-A1036 VanDerWaalsContact O-N 3.08Å; D1034-D1068 PolarHBondContact N-OD2 2.8Å | ||
| 1035 | N | 68.3 | Low | 73.8 | Confident | 26 Ų | 26 | 54.4 Ų | 54.4 | 14% | 0.139 | 29% | 0.288 | C | S | . | . | trans | -89.2 | 78.1 | -174.3 | -65.2 | -90.9 | 0 | 0 | 0 | 113.2 | K1067 D1068 | N1035-K1067 HydrophobicContact CB-CB 3.73Å; N1035-K1067 HydrophobicContact CB-CD 4.22Å; N1035-K1067 HydrophobicContact CB-CG 4.02Å; N1035-K1067 WeakPolarHBondContact OD1-CD 3.44Å; N1035-K1067 WeakPolarHBondContact OD1-CE 3.39Å; N1035-K1067 PolarHBondContact OD1-NZ 3.3Å; N1035-D1068 WeakPolarHBondContact CB-OD1 3.42Å; N1035-D1068 PolarHBondContact N-OD1 3.44Å; N1035-D1068 VanDerWaalsContact N-OD1 3.09Å; N1035-D1068 PolarHBondContact N-OD2 2.89Å; N1035-D1068 PolarHBondContact ND2-OD1 2.77Å | ||
| 1036 | A | 73.6 | Confident | 73.3 | Confident | 42 Ų | 42 | 55.3 Ų | 55.3 | 35% | 0.347 | 30% | 0.295 | S | S | . | . | trans | -44.2 | 143.8 | 171.1 | 0 | 0 | 0 | 0 | 0 | 113.4 | D1034 Q1038 L1129 | D1034-A1036 PolarHBondContact O-N 2.85Å; D1034-A1036 VanDerWaalsContact O-N 3.08Å; A1036-Q1038 PolarHBondContact O-N 2.84Å; A1036-L1129 HydrophobicContact CB-CB 3.69Å; A1036-L1129 HydrophobicContact CB-CD1 3.97Å; A1036-L1129 HydrophobicContact CB-CG 4.45Å | ||
| 1037 | P | 78.8 | Confident | 73.2 | Confident | 0 Ų | 0 | 57.4 Ų | 57.4 | 0% | 0 | 31% | 0.312 | C | S | . | . | trans | -62.5 | 104.9 | -167.3 | 22.6 | -35 | 0 | 0 | 0 | 113.2 | Y1065 I1076 D1123 G1131 | P1037-Y1065 CarbonylContact C-O 3.44Å; P1037-Y1065 VanDerWaalsContact CA-O 3.27Å; P1037-Y1065 WeakPolarHBondContact CA-O 3.47Å; P1037-I1076 HydrophobicContact CB-CD1 3.56Å; P1037-I1076 HydrophobicContact CB-CG1 3.8Å; P1037-D1123 VanDerWaalsContact CD-OD2 3.29Å; P1037-D1123 WeakPolarHBondContact CD-OD2 3.39Å; P1037-D1123 HydrophobicContact CG-CB 4.12Å; P1037-G1131 WeakPolarHBondContact O-CA 3.31Å | ||
| 1038 | Q | 75 | Confident | 72.8 | Confident | 95 Ų | 95 | 58.2 Ų | 58.2 | 44% | 0.444 | 32% | 0.316 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -75.1 | 126.5 | -175.1 | -177.4 | 172.3 | 25.1 | 0 | 0 | 112 | A1036 A1064 Y1065 | A1036-Q1038 PolarHBondContact O-N 2.84Å; Q1038-A1064 CarbonylContact O-C 3.59Å; Q1038-A1064 WeakPolarHBondContact O-CA 3.11Å; Q1038-A1064 WeakPolarHBondContact O-CB 3.32Å; Q1038-Y1065 HydrophobicContact CB-CD2 4.46Å; Q1038-Y1065 HydrophobicContact CB-CE2 3.92Å; Q1038-Y1065 HydrophobicContact CG-CE2 4.33Å; Q1038-Y1065 PolarHBondContact N-O 3.07Å; Q1038-Y1065 PolarHBondContact O-N 3Å; Q1038-Y1065 PolarHBondContact OE1-OH 2.95Å |
| 1039 | F | 81 | Confident | 72.7 | Confident | 11 Ų | 11 | 63 Ų | 63 | 5% | 0.048 | 34% | 0.335 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -70.4 | 146.5 | 168.1 | -79.5 | -82.3 | 0 | 0 | 0 | 112.4 | Q1041 V1062 T1063 A1064 Y1078 V1119 A1121 Y1132 A1133 | F1039-Q1041 WeakPolarHBondContact CB-O 3.3Å; F1039-Q1041 PolarHBondContact O-N 3.16Å; F1039-Q1041 VanDerWaalsContact O-N 3.12Å; F1039-V1062 HydrophobicContact CD1-CB 4.13Å; F1039-V1062 HydrophobicContact CD1-CG2 4.4Å; F1039-V1062 HydrophobicContact CE1-CB 3.92Å; F1039-V1062 HydrophobicContact CE1-CG2 3.7Å; F1039-T1063 CarbonylContact C-O 3.59Å; F1039-T1063 WeakPolarHBondContact CA-O 3.11Å; F1039-T1063 WeakPolarHBondContact CD1-O 3.22Å; F1039-A1064 HydrophobicContact CD1-CB 3.95Å; F1039-A1064 HydrophobicContact CE1-CB 4.29Å; F1039-A1064 HydrophobicContact CG-CB 4.12Å; F1039-Y1078 AromaticContact CE1-CD1 3.82Å; F1039-Y1078 HydrophobicContact CE1-CD1 3.82Å; F1039-Y1078 AromaticContact CE1-CE1 3.68Å; F1039-Y1078 HydrophobicContact CE1-CE1 3.68Å; F1039-Y1078 HydrophobicContact CZ-CD1 4.05Å; F1039-Y1078 HydrophobicContact CZ-CE1 4.23Å; F1039-V1119 HydrophobicContact CE1-CG1 4.13Å; F1039-V1119 HydrophobicContact CZ-CB 4.3Å; F1039-V1119 HydrophobicContact CZ-CG1 3.8Å; F1039-A1121 HydrophobicContact CD2-CB 4.26Å; F1039-A1121 HydrophobicContact CE1-CB 3.98Å; F1039-A1121 HydrophobicContact CE2-CB 3.5Å; F1039-A1121 VanDerWaalsContact CE2-CB 3.5Å; F1039-A1121 HydrophobicContact CZ-CB 3.33Å; F1039-Y1132 VanDerWaalsContact CD2-C 3.46Å; F1039-Y1132 WeakPolarHBondContact CD2-O 3.3Å; F1039-A1133 HydrophobicContact CB-CB 3.95Å; F1039-A1133 HydrophobicContact CD1-CB 4.18Å; F1039-A1133 HydrophobicContact CD2-CB 3.53Å; F1039-A1133 HydrophobicContact CE2-CB 3.97Å; F1039-A1133 HydrophobicContact CG-CB 3.63Å; F1039-A1133 HydrophobicContact CZ-CB 4.47Å |
| 1040 | D | 69.3 | Low | 72.2 | Confident | 95 Ų | 95 | 63.9 Ų | 63.9 | 51% | 0.508 | 34% | 0.338 | S | S | . | . | S | Bend | trans | -57 | -26.8 | 175.6 | -77.6 | -39.7 | 0 | 0 | 0 | 113.3 | T1063 | D1040-T1063 PolarHBondContact N-O 3.03Å; D1040-T1063 VanDerWaalsContact OD2-CB 3.25Å; D1040-T1063 WeakPolarHBondContact OD2-CB 3.12Å; D1040-T1063 PolarHBondContact OD2-OG1 3.44Å |
| 1041 | Q | 70.8 | Confident | 72.6 | Confident | 108 Ų | 108 | 67.7 Ų | 67.7 | 51% | 0.505 | 36% | 0.355 | S | S | . | . | trans | -139.8 | 140.7 | 168.9 | -63.1 | -162 | -9.1 | 0 | 0 | 111 | F1039 Y1044 | F1039-Q1041 WeakPolarHBondContact CB-O 3.3Å; F1039-Q1041 PolarHBondContact O-N 3.16Å; F1039-Q1041 VanDerWaalsContact O-N 3.12Å; Q1041-Y1044 HydrophobicContact CB-CE1 4.21Å; Q1041-Y1044 HydrophobicContact CB-CE2 4.32Å; Q1041-Y1044 VanDerWaalsContact O-CE2 3.22Å; Q1041-Y1044 WeakPolarHBondContact O-CE2 3.28Å | ||
| 1042 | P | 69.3 | Low | 72.7 | Confident | 104 Ų | 104 | 65.7 Ų | 65.7 | 68% | 0.675 | 35% | 0.345 | S | S | * | . | S | Bend | trans | -77.1 | -20 | 178.3 | 31.5 | -36 | 0 | 0 | 0 | 113.4 | A1133 D1134 | P1042-A1133 WeakPolarHBondContact O-CA 3.25Å; P1042-D1134 PolarHBondContact O-N 2.93Å |
| 1043 | L | 72.3 | Confident | 72.7 | Confident | 61 Ų | 61 | 69.4 Ų | 69.4 | 32% | 0.319 | 37% | 0.368 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -146.5 | 115 | -176.2 | 171.8 | 55.9 | 0 | 0 | 0 | 111.1 | K1045 D1134 Q1136 | L1043-K1045 HydrophobicContact CD1-CG 4.34Å; L1043-K1045 HydrophobicContact CG-CG 4.1Å; L1043-D1134 CarbonylContact C-O 3.52Å; L1043-D1134 WeakPolarHBondContact CA-O 3.45Å; L1043-D1134 HydrophobicContact CB-CB 4.4Å; L1043-D1134 HydrophobicContact CD1-CB 3.58Å; L1043-Q1136 HydrophobicContact CD1-CB 4.03Å |
| 1044 | Y | 75.4 | Confident | 72.8 | Confident | 23 Ų | 23 | 72.3 Ų | 72.3 | 9% | 0.09 | 38% | 0.383 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.7 | 116.9 | 177.5 | -64.4 | -93.3 | 0 | 0 | 0 | 110.4 | Q1041 L1060 V1062 A1133 D1134 V1135 Q1136 | Q1041-Y1044 HydrophobicContact CB-CE1 4.21Å; Q1041-Y1044 HydrophobicContact CB-CE2 4.32Å; Q1041-Y1044 VanDerWaalsContact O-CE2 3.22Å; Q1041-Y1044 WeakPolarHBondContact O-CE2 3.28Å; Y1044-L1060 HydrophobicContact CD1-CD1 3.94Å; Y1044-L1060 HydrophobicContact CG-CD1 3.98Å; Y1044-V1062 HydrophobicContact CD1-CG1 4.21Å; Y1044-V1062 HydrophobicContact CD2-CG1 3.9Å; Y1044-V1062 HydrophobicContact CE1-CB 4.39Å; Y1044-V1062 HydrophobicContact CE1-CG1 3.9Å; Y1044-V1062 HydrophobicContact CE2-CB 4.05Å; Y1044-V1062 HydrophobicContact CE2-CG1 3.57Å; Y1044-V1062 HydrophobicContact CG-CG1 4.21Å; Y1044-A1133 HydrophobicContact CD2-CB 4.05Å; Y1044-A1133 HydrophobicContact CE2-CB 3.74Å; Y1044-D1134 PolarHBondContact N-O 3.11Å; Y1044-V1135 VanDerWaalsContact O-CA 3.3Å; Y1044-V1135 WeakPolarHBondContact O-CA 3.3Å; Y1044-Q1136 PolarHBondContact O-N 3.22Å |
| 1045 | K | 71.2 | Confident | 73.3 | Confident | 130 Ų | 130 | 70.4 Ų | 70.4 | 57% | 0.565 | 38% | 0.375 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -103.1 | 140.9 | -177.8 | -59 | -155.3 | 179 | -154.5 | 0 | 113.6 | L1043 Q1136 | L1043-K1045 HydrophobicContact CD1-CG 4.34Å; L1043-K1045 HydrophobicContact CG-CG 4.1Å; K1045-Q1136 HydrophobicContact CG-CB 4.43Å |
| 1046 | A | 76.5 | Confident | 73.3 | Confident | 18 Ų | 18 | 74.4 Ų | 74.4 | 15% | 0.149 | 40% | 0.402 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.1 | 163.7 | 170 | 0 | 0 | 0 | 0 | 0 | 111.1 | L1059 Q1136 V1137 L1138 | A1046-L1059 HydrophobicContact CB-CD2 3.85Å; A1046-Q1136 PolarHBondContact N-O 2.83Å; A1046-V1137 HydrophobicContact CB-CG2 4.46Å; A1046-V1137 WeakPolarHBondContact O-CA 3.11Å; A1046-L1138 PolarHBondContact O-N 3.18Å |
| 1047 | V | 74.7 | Confident | 73.4 | Confident | 103 Ų | 103 | 76 Ų | 76 | 62% | 0.624 | 40% | 0.401 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -136.7 | 134.6 | 175.9 | -174.7 | 0 | 0 | 0 | 0 | 107.7 | L1138 | V1047-L1138 HydrophobicContact CG1-CB 4.36Å; V1047-L1138 HydrophobicContact CG2-CB 4.38Å; V1047-L1138 HydrophobicContact CG2-CD1 4.3Å |
| 1048 | I | 77.8 | Confident | 73.4 | Confident | 18 Ų | 18 | 81 Ų | 81 | 9% | 0.092 | 42% | 0.423 | C | S | . | . | trans | -129.6 | 172 | 170.8 | 73.9 | 173 | 0 | 0 | 0 | 109.5 | L1104 V1137 L1138 L1139 | I1048-L1104 HydrophobicContact CD1-CB 4.37Å; I1048-L1104 HydrophobicContact CD1-CD1 3.67Å; I1048-L1104 HydrophobicContact CD1-CG 4Å; I1048-V1137 HydrophobicContact CD1-CG1 4.37Å; I1048-V1137 HydrophobicContact CG1-CG1 4.03Å; I1048-V1137 HydrophobicContact CG2-CG1 4.06Å; I1048-L1138 PolarHBondContact N-O 2.58Å; I1048-L1139 HydrophobicContact CD1-CD2 4.18Å; I1048-L1139 HydrophobicContact CG1-CD2 3.68Å; I1048-L1139 HydrophobicContact CG1-CG 4.37Å | ||
| 1049 | Q | 70.2 | Confident | 73.5 | Confident | 125 Ų | 125 | 78.3 Ų | 78.3 | 58% | 0.584 | 41% | 0.411 | S | S | * | . | trans | -100.1 | 150.4 | 170.6 | -165.4 | 167.2 | 5.8 | 0 | 0 | 108.4 | D1052 | Q1049-D1052 PolarHBondContact O-N 3.14Š| ||
| 1050 | E | 73.3 | Confident | 73.6 | Confident | 29 Ų | 29 | 79.2 Ų | 79.2 | 14% | 0.136 | 42% | 0.416 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -60.4 | 147.5 | 172.4 | 65.1 | -169.8 | -173.5 | 0 | 0 | 111.1 | D1052 R1106 L1139 T1140 I1142 | E1050-D1052 VanDerWaalsContact C-N 3.25Å; E1050-D1052 PolarHBondContact O-N 3.01Å; E1050-R1106 WeakPolarHBondContact OE2-CB 3.45Å; E1050-L1139 HydrophobicContact CB-CD2 4.05Å; E1050-T1140 WeakPolarHBondContact CG-O 3.44Å; E1050-I1142 VanDerWaalsContact OE1-CD1 3.27Å; E1050-I1142 WeakPolarHBondContact OE1-CD1 3.45Å; E1050-I1142 WeakPolarHBondContact OE1-CG1 3.28Å |
| 1051 | E | 75.4 | Confident | 73.9 | Confident | 159 Ų | 159 | 78.7 Ų | 78.7 | 74% | 0.743 | 41% | 0.411 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 53.3 | 24.7 | -171.8 | -57.1 | -151.6 | 133.9 | 0 | 0 | 116.7 | T1053 L1104 | E1051-T1053 PolarHBondContact O-N 2.92Å; E1051-L1104 PolarHBondContact N-O 3.1Å |
| 1052 | D | 71 | Confident | 74.5 | Confident | 43 Ų | 43 | 73.6 Ų | 73.6 | 23% | 0.23 | 39% | 0.387 | C | S | . | . | trans | -62.7 | 102.6 | 172.1 | -177.6 | 4.9 | 0 | 0 | 0 | 112.1 | Q1049 E1050 N1054 K1057 | Q1049-D1052 PolarHBondContact O-N 3.14Å; E1050-D1052 VanDerWaalsContact C-N 3.25Å; E1050-D1052 PolarHBondContact O-N 3.01Å; D1052-N1054 VanDerWaalsContact C-N 3.29Å; D1052-N1054 PolarHBondContact O-N 2.92Å; D1052-N1054 WeakPolarHBondContact OD1-CB 3.08Å; D1052-N1054 PolarHBondContact OD1-N 2.9Å; D1052-K1057 IonicContact OD2-NZ 2.61Å; D1052-K1057 PolarHBondContact OD2-NZ 3.05Å | ||
| 1053 | T | 73.1 | Confident | 74.7 | Confident | 120 Ų | 120 | 71 Ų | 71 | 74% | 0.736 | 37% | 0.369 | S | S | * | . | trans | -76.5 | -3.1 | -176 | 47.8 | 0 | 0 | 0 | 0 | 115.1 | E1051 V1055 | E1051-T1053 PolarHBondContact O-N 2.92Å; T1053-V1055 PolarHBondContact O-N 3.07Å; T1053-V1055 VanDerWaalsContact O-N 3.17Å | ||
| 1054 | N | 64 | Low | 75.2 | Confident | 127 Ų | 127 | 68.9 Ų | 68.9 | 68% | 0.679 | 36% | 0.361 | S | S | * | . | trans | -93.9 | 65 | -169.6 | -162.9 | 17.3 | 0 | 0 | 0 | 113.6 | D1052 | D1052-N1054 VanDerWaalsContact C-N 3.29Å; D1052-N1054 PolarHBondContact O-N 2.92Å; D1052-N1054 WeakPolarHBondContact OD1-CB 3.08Å; D1052-N1054 PolarHBondContact OD1-N 2.9Å | ||
| 1055 | V | 77.2 | Confident | 74.9 | Confident | 42 Ų | 42 | 72.7 Ų | 72.7 | 26% | 0.255 | 38% | 0.375 | S | S | . | . | trans | -124.5 | 155.4 | -176.6 | -71.7 | 0 | 0 | 0 | 0 | 112.1 | T1053 K1057 V1100 P1103 | T1053-V1055 PolarHBondContact O-N 3.07Å; T1053-V1055 VanDerWaalsContact O-N 3.17Å; V1055-K1057 HydrophobicContact CG1-CB 4.14Å; V1055-V1100 HydrophobicContact CG1-CB 4.15Å; V1055-V1100 HydrophobicContact CG1-CG1 4.01Å; V1055-P1103 HydrophobicContact CG2-CG 4.27Å | ||
| 1056 | P | 69.9 | Low | 75.1 | Confident | 110 Ų | 110 | 67.5 Ų | 67.5 | 71% | 0.714 | 35% | 0.354 | S | S | * | . | S | Bend | cis | -75 | 145.1 | 3.3 | 31 | -36.1 | 0 | 0 | 0 | 114 | V1100 | P1056-V1100 CarbonylContact C-O 3.53Å; P1056-V1100 WeakPolarHBondContact CA-O 3.36Å; P1056-V1100 WeakPolarHBondContact CB-O 3.34Å |
| 1057 | K | 76 | Confident | 74.8 | Confident | 75 Ų | 75 | 72.7 Ų | 72.7 | 33% | 0.326 | 37% | 0.373 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -139.1 | 122.7 | -162.7 | -176.2 | -178.9 | 179 | -172.7 | 0 | 109.3 | D1052 V1055 L1059 F1099 V1100 | D1052-K1057 IonicContact OD2-NZ 2.61Å; D1052-K1057 PolarHBondContact OD2-NZ 3.05Å; V1055-K1057 HydrophobicContact CG1-CB 4.14Å; K1057-L1059 PolarHBondContact O-N 3.31Å; K1057-F1099 CarbonylContact O-C 3.47Å; K1057-F1099 WeakPolarHBondContact O-CA 3.09Å; K1057-V1100 HydrophobicContact CB-CB 4.43Å; K1057-V1100 PolarHBondContact N-O 2.92Å; K1057-V1100 PolarHBondContact O-N 2.65Å |
| 1058 | K | 78.1 | Confident | 74.8 | Confident | 105 Ų | 105 | 68.1 Ų | 68.1 | 46% | 0.457 | 35% | 0.345 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -63.8 | 128.2 | 176.8 | -167.8 | -176.3 | 179.4 | 179 | 0 | 109.5 | L1060 D1097 L1098 F1099 | K1058-L1060 WeakPolarHBondContact CE-O 3.38Å; K1058-D1097 WeakPolarHBondContact CE-OD1 3.46Å; K1058-D1097 IonicContact NZ-OD1 2.79Å; K1058-D1097 PolarHBondContact NZ-OD1 2.97Å; K1058-L1098 VanDerWaalsContact CG-O 3.26Å; K1058-L1098 WeakPolarHBondContact CG-O 3.43Å; K1058-F1099 HydrophobicContact CB-CD1 3.78Å; K1058-F1099 HydrophobicContact CB-CE1 3.78Å; K1058-F1099 HydrophobicContact CD-CE1 4.49Å; K1058-F1099 HydrophobicContact CG-CD1 4.11Å; K1058-F1099 HydrophobicContact CG-CE1 3.94Å; K1058-F1099 HydrophobicContact CG-CZ 4.3Å |
| 1059 | L | 77.9 | Confident | 74.4 | Confident | 38 Ų | 38 | 74.1 Ų | 74.1 | 20% | 0.199 | 38% | 0.378 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -82.2 | -65.9 | 172.3 | -77.3 | 171.2 | 0 | 0 | 0 | 110.3 | A1046 K1057 F1089 L1098 V1100 F1117 | A1046-L1059 HydrophobicContact CB-CD2 3.85Å; K1057-L1059 PolarHBondContact O-N 3.31Å; L1059-F1089 HydrophobicContact CD1-CD1 3.77Å; L1059-F1089 HydrophobicContact CD1-CE1 4.09Å; L1059-L1098 HydrophobicContact CB-CB 4.44Å; L1059-L1098 HydrophobicContact CB-CD2 4.06Å; L1059-L1098 HydrophobicContact CB-CG 4.28Å; L1059-L1098 HydrophobicContact CD1-CD2 3.66Å; L1059-L1098 HydrophobicContact CD1-CG 4.02Å; L1059-L1098 PolarHBondContact N-O 2.77Å; L1059-V1100 HydrophobicContact CD1-CG2 3.85Å; L1059-V1100 HydrophobicContact CD2-CG2 3.45Å; L1059-V1100 VanDerWaalsContact CD2-CG2 3.45Å; L1059-V1100 HydrophobicContact CG-CG2 3.47Å; L1059-V1100 VanDerWaalsContact CG-CG2 3.47Å; L1059-F1117 HydrophobicContact CD1-CZ 4.17Å |
| 1060 | L | 81.4 | Confident | 74.2 | Confident | 30 Ų | 30 | 72 Ų | 72 | 16% | 0.157 | 37% | 0.37 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -163.4 | -170 | -164.4 | 56 | 94.1 | 0 | 0 | 0 | 111.6 | Y1044 K1058 V1062 L1098 V1135 | Y1044-L1060 HydrophobicContact CD1-CD1 3.94Å; Y1044-L1060 HydrophobicContact CG-CD1 3.98Å; K1058-L1060 WeakPolarHBondContact CE-O 3.38Å; L1060-V1062 HydrophobicContact CD1-CG1 3.63Å; L1060-L1098 HydrophobicContact CD1-CB 4.09Å; L1060-L1098 HydrophobicContact CD1-CD2 3.78Å; L1060-L1098 HydrophobicContact CD2-CD2 4.12Å; L1060-L1098 HydrophobicContact CG-CB 4.19Å; L1060-L1098 HydrophobicContact CG-CD2 3.76Å; L1060-L1098 PolarHBondContact N-O 2.86Å; L1060-L1098 PolarHBondContact O-N 2.92Å; L1060-V1135 HydrophobicContact CD2-CG1 4.19Å |
| 1061 | H | 77.4 | Confident | 73.6 | Confident | 85 Ų | 85 | 78 Ų | 78 | 39% | 0.394 | 40% | 0.402 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -144.6 | 139.5 | -176.4 | 174.7 | 88.4 | 0 | 0 | 0 | 108.3 | T1095 G1096 D1097 | H1061-T1095 PolarHBondContact CE1-O 3.03Å; H1061-T1095 PolarHBondContact ND1-O 3.15Å; H1061-T1095 VanDerWaalsContact ND1-O 3.13Å; H1061-G1096 WeakPolarHBondContact CA-O 3.49Å; H1061-D1097 IonicContact CE1-OD1 3.07Å; H1061-D1097 IonicContact CG-OD1 3.03Å; H1061-D1097 IonicContact ND1-OD1 3.57Å; H1061-D1097 PolarHBondContact ND1-OD1 2.81Å |
| 1062 | V | 82.9 | Confident | 73 | Confident | 0 Ų | 0 | 72.2 Ų | 72.2 | 0% | 0 | 38% | 0.381 | C | S | . | . | trans | -126.5 | 149.3 | -177.6 | -51 | 0 | 0 | 0 | 0 | 111.8 | F1039 Y1044 L1060 Y1078 I1091 G1096 V1119 | F1039-V1062 HydrophobicContact CD1-CB 4.13Å; F1039-V1062 HydrophobicContact CD1-CG2 4.4Å; F1039-V1062 HydrophobicContact CE1-CB 3.92Å; F1039-V1062 HydrophobicContact CE1-CG2 3.7Å; Y1044-V1062 HydrophobicContact CD1-CG1 4.21Å; Y1044-V1062 HydrophobicContact CD2-CG1 3.9Å; Y1044-V1062 HydrophobicContact CE1-CB 4.39Å; Y1044-V1062 HydrophobicContact CE1-CG1 3.9Å; Y1044-V1062 HydrophobicContact CE2-CB 4.05Å; Y1044-V1062 HydrophobicContact CE2-CG1 3.57Å; Y1044-V1062 HydrophobicContact CG-CG1 4.21Å; L1060-V1062 HydrophobicContact CD1-CG1 3.63Å; V1062-Y1078 HydrophobicContact CG2-CD1 4.16Å; V1062-Y1078 HydrophobicContact CG2-CE1 4.41Å; V1062-I1091 HydrophobicContact CG2-CD1 4.13Å; V1062-G1096 PolarHBondContact N-O 2.89Å; V1062-V1119 HydrophobicContact CG2-CG1 3.76Å | ||
| 1063 | T | 73.6 | Confident | 72.8 | Confident | 49 Ų | 49 | 70.3 Ų | 70.3 | 30% | 0.301 | 37% | 0.371 | S | S | . | . | trans | -148.4 | 146.3 | -177.6 | 27.2 | 0 | 0 | 0 | 0 | 110.2 | F1039 D1040 Y1078 | F1039-T1063 CarbonylContact C-O 3.59Å; F1039-T1063 WeakPolarHBondContact CA-O 3.11Å; F1039-T1063 WeakPolarHBondContact CD1-O 3.22Å; D1040-T1063 PolarHBondContact N-O 3.03Å; D1040-T1063 VanDerWaalsContact OD2-CB 3.25Å; D1040-T1063 WeakPolarHBondContact OD2-CB 3.12Å; D1040-T1063 PolarHBondContact OD2-OG1 3.44Å; T1063-Y1078 WeakPolarHBondContact CA-OH 3.42Å | ||
| 1064 | A | 82.4 | Confident | 72.7 | Confident | 17 Ų | 17 | 69.5 Ų | 69.5 | 14% | 0.14 | 36% | 0.357 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -140 | 158.7 | -179 | 0 | 0 | 0 | 0 | 0 | 112.6 | Q1038 F1039 I1076 Y1078 A1121 | Q1038-A1064 CarbonylContact O-C 3.59Å; Q1038-A1064 WeakPolarHBondContact O-CA 3.11Å; Q1038-A1064 WeakPolarHBondContact O-CB 3.32Å; F1039-A1064 HydrophobicContact CD1-CB 3.95Å; F1039-A1064 HydrophobicContact CE1-CB 4.29Å; F1039-A1064 HydrophobicContact CG-CB 4.12Å; A1064-I1076 HydrophobicContact CB-CD1 4.2Å; A1064-I1076 HydrophobicContact CB-CG2 4.4Å; A1064-I1076 WeakPolarHBondContact O-CD1 3.17Å; A1064-Y1078 HydrophobicContact CB-CE1 4.13Å; A1064-Y1078 PolarHBondContact N-OH 2.91Å; A1064-A1121 HydrophobicContact CB-CB 3.79Å |
| 1065 | Y | 68.7 | Low | 73.1 | Confident | 103 Ų | 103 | 71.5 Ų | 71.5 | 40% | 0.404 | 36% | 0.355 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -141.6 | 164.1 | -179.7 | 61.1 | -99.6 | 0 | 0 | 0 | 111.6 | P1037 Q1038 | P1037-Y1065 CarbonylContact C-O 3.44Å; P1037-Y1065 VanDerWaalsContact CA-O 3.27Å; P1037-Y1065 WeakPolarHBondContact CA-O 3.47Å; Q1038-Y1065 HydrophobicContact CB-CD2 4.46Å; Q1038-Y1065 HydrophobicContact CB-CE2 3.92Å; Q1038-Y1065 HydrophobicContact CG-CE2 4.33Å; Q1038-Y1065 PolarHBondContact N-O 3.07Å; Q1038-Y1065 PolarHBondContact O-N 3Å; Q1038-Y1065 PolarHBondContact OE1-OH 2.95Å |
| 1066 | D | 75 | Confident | 73.3 | Confident | 21 Ų | 21 | 71.4 Ų | 71.4 | 11% | 0.112 | 35% | 0.353 | C | S | . | . | trans | -122.1 | 149.6 | -177.5 | -170.2 | -56.9 | 0 | 0 | 0 | 109.4 | D1068 S1073 | D1066-D1068 PolarHBondContact OD1-N 3.02Å; D1066-S1073 WeakPolarHBondContact OD1-CB 3.25Å; D1066-S1073 VanDerWaalsContact OD2-C 3.27Å; D1066-S1073 WeakPolarHBondContact OD2-CA 3.28Å; D1066-S1073 WeakPolarHBondContact OD2-CB 3.26Å; D1066-S1073 VanDerWaalsContact OD2-O 3.08Å | ||
| 1067 | K | 71.6 | Confident | 73.8 | Confident | 128 Ų | 128 | 68 Ų | 68 | 56% | 0.557 | 33% | 0.33 | S | S | * | . | trans | -102.7 | -29.2 | -178.3 | -54.3 | -171.3 | -149.2 | 143.5 | 0 | 114.8 | N1035 | N1035-K1067 HydrophobicContact CB-CB 3.73Å; N1035-K1067 HydrophobicContact CB-CD 4.22Å; N1035-K1067 HydrophobicContact CB-CG 4.02Å; N1035-K1067 WeakPolarHBondContact OD1-CD 3.44Å; N1035-K1067 WeakPolarHBondContact OD1-CE 3.39Å; N1035-K1067 PolarHBondContact OD1-NZ 3.3Å | ||
| 1068 | D | 75 | Confident | 74.2 | Confident | 7 Ų | 7 | 65.5 Ų | 65.5 | 4% | 0.037 | 32% | 0.319 | C | S | . | . | S | Bend | trans | -64.1 | 139.7 | -164.7 | -61.3 | -30.1 | 0 | 0 | 0 | 110.4 | N1033 D1034 N1035 D1066 D1070 K1074 | N1033-D1068 VanDerWaalsContact C-OD2 3.24Å; N1033-D1068 VanDerWaalsContact CA-CG 3.5Å; N1033-D1068 VanDerWaalsContact CA-OD2 3.23Å; N1033-D1068 WeakPolarHBondContact CA-OD2 3.36Å; N1033-D1068 HydrophobicContact CB-CB 4.28Å; N1033-D1068 PolarHBondContact ND2-OD2 2.83Å; N1033-D1068 WeakPolarHBondContact OD1-CB 3.4Å; N1033-D1068 PolarHBondContact OD1-OD2 3.43Å; D1034-D1068 PolarHBondContact N-OD2 2.8Å; N1035-D1068 WeakPolarHBondContact CB-OD1 3.42Å; N1035-D1068 PolarHBondContact N-OD1 3.44Å; N1035-D1068 VanDerWaalsContact N-OD1 3.09Å; N1035-D1068 PolarHBondContact N-OD2 2.89Å; N1035-D1068 PolarHBondContact ND2-OD1 2.77Å; D1066-D1068 PolarHBondContact OD1-N 3.02Å; D1068-D1070 PolarHBondContact O-N 2.87Å; D1068-K1074 WeakPolarHBondContact O-CE 3.04Å; D1068-K1074 PolarHBondContact O-NZ 2.79Å |
| 1069 | D | 68.2 | Low | 74.5 | Confident | 144 Ų | 144 | 65.2 Ų | 65.2 | 77% | 0.77 | 32% | 0.317 | S | S | * | . | S | Bend | trans | -78.1 | 19.1 | -170 | -152.6 | 25.2 | 0 | 0 | 0 | 115.7 | K1074 | D1069-K1074 IonicContact OD1-NZ 2.76Š|
| 1070 | D | 65.8 | Low | 74.8 | Confident | 80 Ų | 80 | 64.1 Ų | 64.1 | 43% | 0.428 | 31% | 0.312 | S | S | . | . | S | Bend | trans | -85.7 | 170.4 | 173.6 | 171.9 | -163.4 | 0 | 0 | 0 | 111.7 | D1068 A1072 K1074 | D1068-D1070 PolarHBondContact O-N 2.87Å; D1070-A1072 PolarHBondContact OD2-N 3.18Å; D1070-A1072 VanDerWaalsContact OD2-N 3.1Å; D1070-K1074 PolarHBondContact O-NZ 2.83Å |
| 1071 | I | 60.7 | Low | 74.5 | Confident | 155 Ų | 155 | 64.4 Ų | 64.4 | 80% | 0.795 | 32% | 0.318 | S | S | * | . | S | Bend | trans | -99.1 | -21.4 | -178.5 | -61.5 | 176.5 | 0 | 0 | 0 | 111.8 | ||
| 1072 | A | 63 | Low | 74.4 | Confident | 38 Ų | 38 | 62.8 Ų | 62.8 | 31% | 0.314 | 33% | 0.325 | S | S | . | . | S | Bend | trans | -76.2 | -50.2 | -179 | 0 | 0 | 0 | 0 | 0 | 113 | D1070 K1074 | D1070-A1072 PolarHBondContact OD2-N 3.18Å; D1070-A1072 VanDerWaalsContact OD2-N 3.1Å; A1072-K1074 PolarHBondContact O-N 3.08Å |
| 1073 | S | 67.3 | Low | 73.8 | Confident | 2 Ų | 2 | 67.5 Ų | 67.5 | 1% | 0.014 | 35% | 0.347 | C | S | . | . | S | Bend | trans | -50.8 | -38.5 | 179.2 | -5.4 | 0 | 0 | 0 | 0 | 112.7 | N1033 D1066 R1075 D1123 | N1033-S1073 WeakPolarHBondContact OD1-CB 3.06Å; N1033-S1073 PolarHBondContact OD1-OG 3.36Å; D1066-S1073 WeakPolarHBondContact OD1-CB 3.25Å; D1066-S1073 VanDerWaalsContact OD2-C 3.27Å; D1066-S1073 WeakPolarHBondContact OD2-CA 3.28Å; D1066-S1073 WeakPolarHBondContact OD2-CB 3.26Å; D1066-S1073 VanDerWaalsContact OD2-O 3.08Å; S1073-R1075 PolarHBondContact O-N 2.89Å; S1073-D1123 VanDerWaalsContact O-CB 3.24Å; S1073-D1123 WeakPolarHBondContact O-CB 3.2Å |
| 1074 | K | 70.8 | Confident | 73.8 | Confident | 104 Ų | 104 | 66 Ų | 66 | 45% | 0.452 | 34% | 0.341 | S | S | . | . | S | Bend | trans | -72.4 | 31.8 | -175.4 | -58.3 | -173.6 | 173.2 | 94.3 | 0 | 115.7 | D1068 D1069 D1070 A1072 | D1068-K1074 WeakPolarHBondContact O-CE 3.04Å; D1068-K1074 PolarHBondContact O-NZ 2.79Å; D1069-K1074 IonicContact OD1-NZ 2.76Å; D1070-K1074 PolarHBondContact O-NZ 2.83Å; A1072-K1074 PolarHBondContact O-N 3.08Å |
| 1075 | R | 73.4 | Confident | 73.5 | Confident | 168 Ų | 168 | 66.2 Ų | 66.2 | 63% | 0.634 | 34% | 0.343 | S | S | * | . | trans | -142 | 95.6 | -175.4 | -171.7 | -171.1 | 170 | 168.5 | -3.7 | 114.2 | S1073 D1123 D1124 G1125 | S1073-R1075 PolarHBondContact O-N 2.89Å; R1075-D1123 CarbonylContact O-C 3.57Å; R1075-D1123 WeakPolarHBondContact O-CA 3.36Å; R1075-D1124 PolarHBondContact O-N 2.99Å; R1075-G1125 WeakPolarHBondContact O-CA 3.31Å; R1075-G1125 PolarHBondContact O-N 3.21Å | ||
| 1076 | I | 80.6 | Confident | 73.7 | Confident | 41 Ų | 41 | 66.5 Ų | 66.5 | 21% | 0.21 | 35% | 0.351 | C | S | . | . | trans | -103.5 | 151.4 | -165.8 | -63.8 | 163.2 | 0 | 0 | 0 | 114.7 | P1037 A1064 Y1078 A1121 I1122 | P1037-I1076 HydrophobicContact CB-CD1 3.56Å; P1037-I1076 HydrophobicContact CB-CG1 3.8Å; A1064-I1076 HydrophobicContact CB-CD1 4.2Å; A1064-I1076 HydrophobicContact CB-CG2 4.4Å; A1064-I1076 WeakPolarHBondContact O-CD1 3.17Å; I1076-Y1078 HydrophobicContact CG2-CE1 4.09Å; I1076-A1121 HydrophobicContact CG2-CB 3.74Å; I1076-I1122 CarbonylContact C-O 3.54Å; I1076-I1122 VanDerWaalsContact CA-O 3.27Å; I1076-I1122 WeakPolarHBondContact CA-O 3.35Å | ||
| 1077 | V | 80.3 | Confident | 73.9 | Confident | 39 Ų | 39 | 71.5 Ų | 71.5 | 24% | 0.236 | 37% | 0.374 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -137 | 140 | 176.6 | 179.6 | 0 | 0 | 0 | 0 | 111.9 | A1121 I1122 | V1077-A1121 CarbonylContact O-C 3.47Å; V1077-A1121 WeakPolarHBondContact O-CA 3.49Å; V1077-I1122 PolarHBondContact N-O 2.83Å; V1077-I1122 PolarHBondContact O-N 2.9Å |
| 1078 | Y | 84.8 | Confident | 74.3 | Confident | 21 Ų | 21 | 67.1 Ų | 67.1 | 8% | 0.082 | 36% | 0.356 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.2 | 146.8 | -173 | -56.3 | -77.4 | 0 | 0 | 0 | 116 | F1039 V1062 T1063 A1064 I1076 E1093 Q1120 A1121 | F1039-Y1078 AromaticContact CE1-CD1 3.82Å; F1039-Y1078 HydrophobicContact CE1-CD1 3.82Å; F1039-Y1078 AromaticContact CE1-CE1 3.68Å; F1039-Y1078 HydrophobicContact CE1-CE1 3.68Å; F1039-Y1078 HydrophobicContact CZ-CD1 4.05Å; F1039-Y1078 HydrophobicContact CZ-CE1 4.23Å; V1062-Y1078 HydrophobicContact CG2-CD1 4.16Å; V1062-Y1078 HydrophobicContact CG2-CE1 4.41Å; T1063-Y1078 WeakPolarHBondContact CA-OH 3.42Å; A1064-Y1078 HydrophobicContact CB-CE1 4.13Å; A1064-Y1078 PolarHBondContact N-OH 2.91Å; I1076-Y1078 HydrophobicContact CG2-CE1 4.09Å; Y1078-E1093 PolarHBondContact N-O 3.21Å; Y1078-E1093 WeakPolarHBondContact O-CA 3.39Å; Y1078-Q1120 CarbonylContact C-O 3.57Å; Y1078-Q1120 VanDerWaalsContact CA-O 3.23Å; Y1078-Q1120 WeakPolarHBondContact CA-O 3.09Å; Y1078-A1121 HydrophobicContact CD1-CB 3.99Å; Y1078-A1121 HydrophobicContact CE1-CB 3.91Å |
| 1079 | K | 84 | Confident | 74.8 | Confident | 99 Ų | 99 | 66.8 Ų | 66.8 | 43% | 0.43 | 35% | 0.354 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -148.5 | 174.5 | 175.8 | -57.1 | 177.5 | -172.3 | 158.7 | 0 | 113.4 | V1119 Q1120 I1122 | K1079-V1119 WeakPolarHBondContact O-CA 3.21Å; K1079-V1119 WeakPolarHBondContact O-CG1 2.91Å; K1079-Q1120 HydrophobicContact CB-CB 4.24Å; K1079-Q1120 PolarHBondContact N-O 3.48Å; K1079-Q1120 PolarHBondContact O-N 3.46Å; K1079-I1122 HydrophobicContact CD-CD1 3.9Å |
| 1080 | L | 83.6 | Confident | 75.5 | Confident | 15 Ų | 15 | 62.6 Ų | 62.6 | 8% | 0.079 | 33% | 0.334 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.3 | 144.7 | 177.2 | -92.5 | 173.7 | 0 | 0 | 0 | 112.9 | A1085 I1091 L1098 F1117 V1119 | L1080-A1085 HydrophobicContact CB-CB 4.23Å; L1080-I1091 HydrophobicContact CB-CG2 4.12Å; L1080-I1091 HydrophobicContact CD1-CB 3.74Å; L1080-I1091 HydrophobicContact CD1-CG2 3.85Å; L1080-I1091 HydrophobicContact CG-CB 3.85Å; L1080-I1091 HydrophobicContact CG-CG2 3.66Å; L1080-L1098 HydrophobicContact CD1-CD1 3.73Å; L1080-L1098 HydrophobicContact CD2-CD1 3.88Å; L1080-L1098 HydrophobicContact CG-CD1 4.13Å; L1080-F1117 HydrophobicContact CD2-CD2 3.59Å; L1080-F1117 HydrophobicContact CD2-CE2 3.77Å; L1080-V1119 HydrophobicContact CD2-CG2 3.84Å |
| 1081 | A | 74.7 | Confident | 76.5 | Confident | 36 Ų | 36 | 60.5 Ų | 60.5 | 30% | 0.298 | 32% | 0.322 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -147 | 160.3 | 168.3 | 0 | 0 | 0 | 0 | 0 | 111 | A1085 V1118 | A1081-A1085 VanDerWaalsContact C-CB 3.41Å; A1081-V1118 PolarHBondContact N-O 2.89Å; A1081-V1118 PolarHBondContact O-N 2.9Å; A1081-V1118 VanDerWaalsContact O-O 3.06Å |
| 1082 | G | 77.1 | Confident | 77.2 | Confident | 52 Ų | 52 | 56.2 Ų | 56.2 | 54% | 0.536 | 30% | 0.301 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | 110.1 | -166.1 | 178.4 | 0 | 0 | 0 | 0 | 0 | 114.9 | G1084 A1085 | G1082-G1084 PolarHBondContact O-N 3.41Å; G1082-A1085 VanDerWaalsContact O-CB 3.27Å; G1082-A1085 WeakPolarHBondContact O-CB 3.4Å; G1082-A1085 PolarHBondContact O-N 3.41Å; G1082-A1085 VanDerWaalsContact O-N 3.09Å |
| 1083 | Q | 68.8 | Low | 78.1 | Confident | 99 Ų | 99 | 60.6 Ų | 60.6 | 46% | 0.463 | 32% | 0.315 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -57.3 | 123 | -176.1 | -75.7 | -179.1 | -41.9 | 0 | 0 | 111.6 | A1085 F1089 W1115 N1116 | Q1083-A1085 PolarHBondContact O-N 3.2Å; Q1083-A1085 VanDerWaalsContact O-N 3.15Å; Q1083-F1089 WeakPolarHBondContact O-CD2 3.31Å; Q1083-W1115 HydrophobicContact CB-CE3 4.34Å; Q1083-N1116 WeakPolarHBondContact CB-O 3.34Å; Q1083-N1116 PolarHBondContact N-O 2.73Å; Q1083-N1116 VanDerWaalsContact OE1-N 3.09Å |
| 1084 | G | 73.6 | Confident | 78.2 | Confident | 17 Ų | 17 | 66.8 Ų | 66.8 | 18% | 0.175 | 35% | 0.346 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 64.1 | 11.8 | 179.9 | 0 | 0 | 0 | 0 | 0 | 115.7 | G1082 N1086 E1087 E1088 F1089 | G1082-G1084 PolarHBondContact O-N 3.41Å; G1084-N1086 PolarHBondContact O-N 2.87Å; G1084-E1087 PolarHBondContact O-N 2.89Å; G1084-E1088 WeakPolarHBondContact CA-OE2 3.48Å; G1084-E1088 PolarHBondContact O-N 2.72Å; G1084-F1089 PolarHBondContact O-N 3.36Å |
| 1085 | A | 77.3 | Confident | 78.5 | Confident | 21 Ų | 21 | 64.4 Ų | 64.4 | 17% | 0.174 | 34% | 0.34 | C | S | . | . | B | Isolated β-bridge | trans | -63.1 | 122.1 | 178.1 | 0 | 0 | 0 | 0 | 0 | 111.2 | L1080 A1081 G1082 Q1083 E1087 | L1080-A1085 HydrophobicContact CB-CB 4.23Å; A1081-A1085 VanDerWaalsContact C-CB 3.41Å; G1082-A1085 VanDerWaalsContact O-CB 3.27Å; G1082-A1085 WeakPolarHBondContact O-CB 3.4Å; G1082-A1085 PolarHBondContact O-N 3.41Å; G1082-A1085 VanDerWaalsContact O-N 3.09Å; Q1083-A1085 PolarHBondContact O-N 3.2Å; Q1083-A1085 VanDerWaalsContact O-N 3.15Å; A1085-E1087 VanDerWaalsContact C-N 3.28Å |
| 1086 | N | 72.9 | Confident | 79 | Confident | 109 Ų | 109 | 56.4 Ų | 56.4 | 58% | 0.583 | 31% | 0.31 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 73.6 | 4.2 | -173.2 | -43.8 | -81.7 | 0 | 0 | 0 | 115.6 | G1084 F1089 | G1084-N1086 PolarHBondContact O-N 2.87Å; N1086-F1089 VanDerWaalsContact CA-O 3.22Å; N1086-F1089 WeakPolarHBondContact CA-O 3.4Å; N1086-F1089 PolarHBondContact N-O 3.47Å |
| 1087 | E | 78.9 | Confident | 78.8 | Confident | 126 Ų | 126 | 56 Ų | 56 | 59% | 0.589 | 31% | 0.309 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -121.2 | -66.4 | 176.2 | -79.5 | -139.5 | -143.8 | 0 | 0 | 112.8 | G1084 A1085 A1101 K1102 | G1084-E1087 PolarHBondContact O-N 2.89Å; A1085-E1087 VanDerWaalsContact C-N 3.28Å; E1087-A1101 WeakPolarHBondContact O-CB 3.26Å; E1087-K1102 WeakPolarHBondContact O-CE 3.38Å; E1087-K1102 IonicContact OE2-NZ 2.83Å; E1087-K1102 PolarHBondContact OE2-NZ 3.42Å |
| 1088 | E | 80 | Confident | 79.1 | Confident | 36 Ų | 36 | 54.2 Ų | 54.2 | 17% | 0.168 | 30% | 0.297 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -82.6 | -24.3 | 171.3 | -71.2 | 61 | -138.9 | 0 | 0 | 111.7 | G1084 V1100 A1101 K1102 L1104 W1115 | G1084-E1088 WeakPolarHBondContact CA-OE2 3.48Å; G1084-E1088 PolarHBondContact O-N 2.72Å; E1088-V1100 CarbonylContact O-C 3.6Å; E1088-V1100 WeakPolarHBondContact O-CA 3.34Å; E1088-A1101 PolarHBondContact O-N 2.77Å; E1088-K1102 HydrophobicContact CG-CB 4.34Å; E1088-K1102 HydrophobicContact CG-CD 4.25Å; E1088-K1102 HydrophobicContact CG-CG 4.49Å; E1088-K1102 VanDerWaalsContact OE1-CD 3.23Å; E1088-K1102 WeakPolarHBondContact OE1-CD 3.49Å; E1088-K1102 WeakPolarHBondContact OE1-CE 3.48Å; E1088-K1102 IonicContact OE1-NZ 2.64Å; E1088-K1102 PolarHBondContact OE1-NZ 2.91Å; E1088-L1104 HydrophobicContact CG-CD2 4.19Å; E1088-W1115 HydrophobicContact CG-CZ3 4.42Å |
| 1089 | F | 86.3 | Confident | 78.7 | Confident | 1 Ų | 1 | 56.6 Ų | 56.6 | 0% | 0.004 | 31% | 0.309 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.7 | 139.7 | -175.4 | -53 | -72 | 0 | 0 | 0 | 112.8 | L1059 Q1083 G1084 N1086 F1099 V1100 L1104 W1115 F1117 V1137 | L1059-F1089 HydrophobicContact CD1-CD1 3.77Å; L1059-F1089 HydrophobicContact CD1-CE1 4.09Å; Q1083-F1089 WeakPolarHBondContact O-CD2 3.31Å; G1084-F1089 PolarHBondContact O-N 3.36Å; N1086-F1089 VanDerWaalsContact CA-O 3.22Å; N1086-F1089 WeakPolarHBondContact CA-O 3.4Å; N1086-F1089 PolarHBondContact N-O 3.47Å; F1089-F1099 CarbonylContact C-O 3.56Å; F1089-F1099 VanDerWaalsContact CA-O 3.26Å; F1089-F1099 WeakPolarHBondContact CA-O 3.35Å; F1089-V1100 HydrophobicContact CD1-CG1 4.41Å; F1089-V1100 HydrophobicContact CD1-CG2 4.46Å; F1089-V1100 HydrophobicContact CE1-CB 4.49Å; F1089-V1100 HydrophobicContact CE1-CG1 4.05Å; F1089-V1100 HydrophobicContact CE1-CG2 4.23Å; F1089-L1104 HydrophobicContact CZ-CD1 4.22Å; F1089-W1115 HydrophobicContact CE2-CE3 4.15Å; F1089-F1117 HydrophobicContact CB-CE1 4.23Å; F1089-F1117 HydrophobicContact CB-CE2 4.11Å; F1089-F1117 HydrophobicContact CB-CZ 3.87Å; F1089-F1117 AromaticContact CD1-CE1 3.67Å; F1089-F1117 HydrophobicContact CD1-CE1 3.67Å; F1089-F1117 AromaticContact CD1-CZ 3.66Å; F1089-F1117 HydrophobicContact CD1-CZ 3.66Å; F1089-F1117 AromaticContact CD2-CD1 3.55Å; F1089-F1117 HydrophobicContact CD2-CD1 3.55Å; F1089-F1117 AromaticContact CD2-CE1 3.32Å; F1089-F1117 HydrophobicContact CD2-CE1 3.32Å; F1089-F1117 HydrophobicContact CD2-CG 4.29Å; F1089-F1117 AromaticContact CD2-CZ 3.87Å; F1089-F1117 HydrophobicContact CD2-CZ 3.87Å; F1089-F1117 AromaticContact CE1-CE1 3.77Å; F1089-F1117 HydrophobicContact CE1-CE1 3.77Å; F1089-F1117 HydrophobicContact CE1-CZ 4.14Å; F1089-F1117 AromaticContact CE2-CD1 3.69Å; F1089-F1117 HydrophobicContact CE2-CD1 3.69Å; F1089-F1117 AromaticContact CE2-CE1 3.43Å; F1089-F1117 HydrophobicContact CE2-CE1 3.43Å; F1089-F1117 VanDerWaalsContact CE2-CE1 3.43Å; F1089-F1117 HydrophobicContact CE2-CZ 4.33Å; F1089-F1117 HydrophobicContact CG-CD1 4.09Å; F1089-F1117 AromaticContact CG-CE1 3.45Å; F1089-F1117 HydrophobicContact CG-CE1 3.45Å; F1089-F1117 VanDerWaalsContact CG-CE1 3.45Å; F1089-F1117 HydrophobicContact CG-CE2 4.2Å; F1089-F1117 AromaticContact CG-CZ 3.5Å; F1089-F1117 HydrophobicContact CG-CZ 3.5Å; F1089-F1117 VanDerWaalsContact CG-CZ 3.5Å; F1089-F1117 HydrophobicContact CZ-CD1 4.31Å; F1089-F1117 AromaticContact CZ-CE1 3.65Å; F1089-F1117 HydrophobicContact CZ-CE1 3.65Å; F1089-F1117 HydrophobicContact CZ-CZ 4.45Å; F1089-V1137 HydrophobicContact CE1-CG2 4.3Å; F1089-V1137 HydrophobicContact CZ-CG2 4.33Å |
| 1090 | T | 81.6 | Confident | 78.7 | Confident | 56 Ų | 56 | 52 Ų | 52 | 34% | 0.344 | 29% | 0.289 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -140.7 | 151.7 | -177.3 | 52.1 | 0 | 0 | 0 | 0 | 113.3 | L1098 F1099 | T1090-L1098 CarbonylContact O-C 3.53Å; T1090-L1098 WeakPolarHBondContact O-CA 3.45Å; T1090-F1099 PolarHBondContact N-O 2.8Å; T1090-F1099 PolarHBondContact O-N 2.69Å |
| 1091 | I | 88 | Confident | 78.4 | Confident | 35 Ų | 35 | 53.1 Ų | 53.1 | 18% | 0.179 | 30% | 0.3 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.3 | 157 | -175.8 | -160.4 | 167.3 | 0 | 0 | 0 | 113.7 | V1062 L1080 D1097 L1098 V1119 | V1062-I1091 HydrophobicContact CG2-CD1 4.13Å; L1080-I1091 HydrophobicContact CB-CG2 4.12Å; L1080-I1091 HydrophobicContact CD1-CB 3.74Å; L1080-I1091 HydrophobicContact CD1-CG2 3.85Å; L1080-I1091 HydrophobicContact CG-CB 3.85Å; L1080-I1091 HydrophobicContact CG-CG2 3.66Å; I1091-D1097 CarbonylContact C-O 3.6Å; I1091-D1097 VanDerWaalsContact CA-O 3.29Å; I1091-D1097 WeakPolarHBondContact CA-O 3.23Å; I1091-L1098 HydrophobicContact CB-CD1 4.13Å; I1091-L1098 HydrophobicContact CD1-CD1 4.42Å; I1091-L1098 HydrophobicContact CG1-CD1 4.39Å; I1091-V1119 HydrophobicContact CD1-CG1 3.46Å; I1091-V1119 VanDerWaalsContact CD1-CG1 3.46Å; I1091-V1119 HydrophobicContact CD1-CG2 4.18Å |
| 1092 | N | 74.4 | Confident | 78.6 | Confident | 65 Ų | 65 | 55 Ų | 55 | 35% | 0.348 | 30% | 0.301 | S | S | . | . | trans | -93.3 | 124.2 | 170.3 | -177.1 | -36.3 | 0 | 0 | 0 | 112.4 | I1094 T1095 G1096 D1097 | N1092-I1094 VanDerWaalsContact C-N 3.29Å; N1092-I1094 PolarHBondContact O-N 3.15Å; N1092-I1094 PolarHBondContact OD1-N 2.95Å; N1092-T1095 VanDerWaalsContact CB-OG1 3.3Å; N1092-T1095 WeakPolarHBondContact CB-OG1 3.35Å; N1092-T1095 PolarHBondContact ND2-OG1 2.97Å; N1092-T1095 PolarHBondContact O-N 3.03Å; N1092-T1095 PolarHBondContact OD1-N 3.34Å; N1092-G1096 PolarHBondContact O-N 2.93Å; N1092-D1097 HydrophobicContact CB-CB 4.3Å; N1092-D1097 PolarHBondContact N-O 2.93Å; N1092-D1097 VanDerWaalsContact N-O 3.1Å | ||
| 1093 | E | 81.7 | Confident | 78.5 | Confident | 131 Ų | 131 | 55.5 Ų | 55.5 | 61% | 0.612 | 30% | 0.295 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -62.7 | -24.3 | -174.3 | 75.9 | -170.6 | 167.2 | 0 | 0 | 115.5 | Y1078 | Y1078-E1093 PolarHBondContact N-O 3.21Å; Y1078-E1093 WeakPolarHBondContact O-CA 3.39Å |
| 1094 | I | 70.4 | Confident | 79.2 | Confident | 132 Ų | 132 | 51.3 Ų | 51.3 | 68% | 0.677 | 28% | 0.276 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -105.6 | -32 | -178.4 | -47.1 | -174.2 | 0 | 0 | 0 | 111.6 | N1092 | N1092-I1094 VanDerWaalsContact C-N 3.29Å; N1092-I1094 PolarHBondContact O-N 3.15Å; N1092-I1094 PolarHBondContact OD1-N 2.95Å |
| 1095 | T | 76.3 | Confident | 79.4 | Confident | 53 Ų | 53 | 54.3 Ų | 54.3 | 33% | 0.325 | 29% | 0.288 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -110.4 | -7.4 | -171.7 | 72.3 | 0 | 0 | 0 | 0 | 115.5 | H1061 N1092 D1097 | H1061-T1095 PolarHBondContact CE1-O 3.03Å; H1061-T1095 PolarHBondContact ND1-O 3.15Å; H1061-T1095 VanDerWaalsContact ND1-O 3.13Å; N1092-T1095 VanDerWaalsContact CB-OG1 3.3Å; N1092-T1095 WeakPolarHBondContact CB-OG1 3.35Å; N1092-T1095 PolarHBondContact ND2-OG1 2.97Å; N1092-T1095 PolarHBondContact O-N 3.03Å; N1092-T1095 PolarHBondContact OD1-N 3.34Å; T1095-D1097 WeakPolarHBondContact CB-OD2 3.38Å; T1095-D1097 PolarHBondContact O-N 2.98Å; T1095-D1097 PolarHBondContact OG1-OD2 3.37Å |
| 1096 | G | 83.1 | Confident | 79.5 | Confident | 0 Ų | 0 | 55.6 Ų | 55.6 | 0% | 0 | 29% | 0.289 | C | S | . | . | trans | 66.2 | 16.4 | 178.6 | 0 | 0 | 0 | 0 | 0 | 115.2 | H1061 V1062 N1092 | H1061-G1096 WeakPolarHBondContact CA-O 3.49Å; V1062-G1096 PolarHBondContact N-O 2.89Å; N1092-G1096 PolarHBondContact O-N 2.93Å | ||
| 1097 | D | 76.6 | Confident | 79.4 | Confident | 34 Ų | 34 | 53 Ų | 53 | 18% | 0.182 | 27% | 0.274 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -76.7 | 124.2 | 178.2 | -68.2 | -54 | 0 | 0 | 0 | 112.1 | K1058 H1061 I1091 N1092 T1095 F1099 | K1058-D1097 WeakPolarHBondContact CE-OD1 3.46Å; K1058-D1097 IonicContact NZ-OD1 2.79Å; K1058-D1097 PolarHBondContact NZ-OD1 2.97Å; H1061-D1097 IonicContact CE1-OD1 3.07Å; H1061-D1097 IonicContact CG-OD1 3.03Å; H1061-D1097 IonicContact ND1-OD1 3.57Å; H1061-D1097 PolarHBondContact ND1-OD1 2.81Å; I1091-D1097 CarbonylContact C-O 3.6Å; I1091-D1097 VanDerWaalsContact CA-O 3.29Å; I1091-D1097 WeakPolarHBondContact CA-O 3.23Å; N1092-D1097 HydrophobicContact CB-CB 4.3Å; N1092-D1097 PolarHBondContact N-O 2.93Å; N1092-D1097 VanDerWaalsContact N-O 3.1Å; T1095-D1097 WeakPolarHBondContact CB-OD2 3.38Å; T1095-D1097 PolarHBondContact O-N 2.98Å; T1095-D1097 PolarHBondContact OG1-OD2 3.37Å; D1097-F1099 HydrophobicContact CB-CE2 3.93Å; D1097-F1099 HydrophobicContact CB-CZ 4.32Å; D1097-F1099 WeakPolarHBondContact O-CE2 3.42Å |
| 1098 | L | 86.3 | Confident | 78.8 | Confident | 0 Ų | 0 | 52.4 Ų | 52.4 | 0% | 0 | 28% | 0.282 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110 | 142.4 | -172.8 | -171.2 | 76.5 | 0 | 0 | 0 | 113.3 | K1058 L1059 L1060 L1080 T1090 I1091 F1117 V1135 | K1058-L1098 VanDerWaalsContact CG-O 3.26Å; K1058-L1098 WeakPolarHBondContact CG-O 3.43Å; L1059-L1098 HydrophobicContact CB-CB 4.44Å; L1059-L1098 HydrophobicContact CB-CD2 4.06Å; L1059-L1098 HydrophobicContact CB-CG 4.28Å; L1059-L1098 HydrophobicContact CD1-CD2 3.66Å; L1059-L1098 HydrophobicContact CD1-CG 4.02Å; L1059-L1098 PolarHBondContact N-O 2.77Å; L1060-L1098 HydrophobicContact CD1-CB 4.09Å; L1060-L1098 HydrophobicContact CD1-CD2 3.78Å; L1060-L1098 HydrophobicContact CD2-CD2 4.12Å; L1060-L1098 HydrophobicContact CG-CB 4.19Å; L1060-L1098 HydrophobicContact CG-CD2 3.76Å; L1060-L1098 PolarHBondContact N-O 2.86Å; L1060-L1098 PolarHBondContact O-N 2.92Å; L1080-L1098 HydrophobicContact CD1-CD1 3.73Å; L1080-L1098 HydrophobicContact CD2-CD1 3.88Å; L1080-L1098 HydrophobicContact CG-CD1 4.13Å; T1090-L1098 CarbonylContact O-C 3.53Å; T1090-L1098 WeakPolarHBondContact O-CA 3.45Å; I1091-L1098 HydrophobicContact CB-CD1 4.13Å; I1091-L1098 HydrophobicContact CD1-CD1 4.42Å; I1091-L1098 HydrophobicContact CG1-CD1 4.39Å; L1098-F1117 HydrophobicContact CD1-CE2 4.11Å; L1098-F1117 HydrophobicContact CD2-CE2 3.86Å; L1098-F1117 HydrophobicContact CD2-CZ 4Å; L1098-V1135 HydrophobicContact CD2-CG1 3.92Å; L1098-V1135 HydrophobicContact CD2-CG2 4.18Å |
| 1099 | F | 76.9 | Confident | 77.8 | Confident | 72 Ų | 72 | 56.4 Ų | 56.4 | 32% | 0.316 | 31% | 0.311 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -138.4 | 145 | -176.1 | -55.6 | -101.5 | 0 | 0 | 0 | 113.7 | K1057 K1058 F1089 T1090 D1097 | K1057-F1099 CarbonylContact O-C 3.47Å; K1057-F1099 WeakPolarHBondContact O-CA 3.09Å; K1058-F1099 HydrophobicContact CB-CD1 3.78Å; K1058-F1099 HydrophobicContact CB-CE1 3.78Å; K1058-F1099 HydrophobicContact CD-CE1 4.49Å; K1058-F1099 HydrophobicContact CG-CD1 4.11Å; K1058-F1099 HydrophobicContact CG-CE1 3.94Å; K1058-F1099 HydrophobicContact CG-CZ 4.3Å; F1089-F1099 CarbonylContact C-O 3.56Å; F1089-F1099 VanDerWaalsContact CA-O 3.26Å; F1089-F1099 WeakPolarHBondContact CA-O 3.35Å; T1090-F1099 PolarHBondContact N-O 2.8Å; T1090-F1099 PolarHBondContact O-N 2.69Å; D1097-F1099 HydrophobicContact CB-CE2 3.93Å; D1097-F1099 HydrophobicContact CB-CZ 4.32Å; D1097-F1099 WeakPolarHBondContact O-CE2 3.42Å |
| 1100 | V | 83.8 | Confident | 76.6 | Confident | 3 Ų | 3 | 63.1 Ų | 63.1 | 2% | 0.018 | 35% | 0.347 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -80.7 | 146.7 | 160 | -161.7 | 0 | 0 | 0 | 0 | 110 | V1055 P1056 K1057 L1059 E1088 F1089 K1102 | V1055-V1100 HydrophobicContact CG1-CB 4.15Å; V1055-V1100 HydrophobicContact CG1-CG1 4.01Å; P1056-V1100 CarbonylContact C-O 3.53Å; P1056-V1100 WeakPolarHBondContact CA-O 3.36Å; P1056-V1100 WeakPolarHBondContact CB-O 3.34Å; K1057-V1100 HydrophobicContact CB-CB 4.43Å; K1057-V1100 PolarHBondContact N-O 2.92Å; K1057-V1100 PolarHBondContact O-N 2.65Å; L1059-V1100 HydrophobicContact CD1-CG2 3.85Å; L1059-V1100 HydrophobicContact CD2-CG2 3.45Å; L1059-V1100 VanDerWaalsContact CD2-CG2 3.45Å; L1059-V1100 HydrophobicContact CG-CG2 3.47Å; L1059-V1100 VanDerWaalsContact CG-CG2 3.47Å; E1088-V1100 CarbonylContact O-C 3.6Å; E1088-V1100 WeakPolarHBondContact O-CA 3.34Å; F1089-V1100 HydrophobicContact CD1-CG1 4.41Å; F1089-V1100 HydrophobicContact CD1-CG2 4.46Å; F1089-V1100 HydrophobicContact CE1-CB 4.49Å; F1089-V1100 HydrophobicContact CE1-CG1 4.05Å; F1089-V1100 HydrophobicContact CE1-CG2 4.23Å; V1100-K1102 VanDerWaalsContact CG1-O 3.29Å; V1100-K1102 WeakPolarHBondContact CG1-O 3.26Å |
| 1101 | A | 77.9 | Confident | 75.8 | Confident | 37 Ų | 37 | 61.5 Ų | 61.5 | 31% | 0.306 | 34% | 0.341 | S | S | . | . | trans | -119.8 | -24.5 | 178.1 | 0 | 0 | 0 | 0 | 0 | 115.4 | E1087 E1088 | E1087-A1101 WeakPolarHBondContact O-CB 3.26Å; E1088-A1101 PolarHBondContact O-N 2.77Å | ||
| 1102 | K | 79.1 | Confident | 75.2 | Confident | 75 Ų | 75 | 61.6 Ų | 61.6 | 33% | 0.326 | 35% | 0.347 | S | S | . | . | S | Bend | trans | -136.8 | 158 | -177.1 | -47.8 | -177.8 | -155.7 | 161 | 0 | 111.9 | E1087 E1088 V1100 | E1087-K1102 WeakPolarHBondContact O-CE 3.38Å; E1087-K1102 IonicContact OE2-NZ 2.83Å; E1087-K1102 PolarHBondContact OE2-NZ 3.42Å; E1088-K1102 HydrophobicContact CG-CB 4.34Å; E1088-K1102 HydrophobicContact CG-CD 4.25Å; E1088-K1102 HydrophobicContact CG-CG 4.49Å; E1088-K1102 VanDerWaalsContact OE1-CD 3.23Å; E1088-K1102 WeakPolarHBondContact OE1-CD 3.49Å; E1088-K1102 WeakPolarHBondContact OE1-CE 3.48Å; E1088-K1102 IonicContact OE1-NZ 2.64Å; E1088-K1102 PolarHBondContact OE1-NZ 2.91Å; V1100-K1102 VanDerWaalsContact CG1-O 3.29Å; V1100-K1102 WeakPolarHBondContact CG1-O 3.26Å |
| 1103 | P | 75.5 | Confident | 75.1 | Confident | 64 Ų | 64 | 63.6 Ų | 63.6 | 42% | 0.416 | 35% | 0.354 | S | S | . | . | trans | -74.6 | 162.7 | 170.8 | -14.4 | 31.6 | 0 | 0 | 0 | 113.2 | V1055 | V1055-P1103 HydrophobicContact CG2-CG 4.27Š| ||
| 1104 | L | 83.8 | Confident | 75 | Confident | 11 Ų | 11 | 59.3 Ų | 59.3 | 6% | 0.058 | 34% | 0.337 | C | S | . | . | trans | -132.1 | 165.2 | -174.4 | -46.4 | 176.9 | 0 | 0 | 0 | 112.6 | I1048 E1051 E1088 F1089 W1115 L1139 | I1048-L1104 HydrophobicContact CD1-CB 4.37Å; I1048-L1104 HydrophobicContact CD1-CD1 3.67Å; I1048-L1104 HydrophobicContact CD1-CG 4Å; E1051-L1104 PolarHBondContact N-O 3.1Å; E1088-L1104 HydrophobicContact CG-CD2 4.19Å; F1089-L1104 HydrophobicContact CZ-CD1 4.22Å; L1104-W1115 HydrophobicContact CB-CZ2 4.3Å; L1104-W1115 HydrophobicContact CD1-CD2 3.94Å; L1104-W1115 HydrophobicContact CD1-CG 3.96Å; L1104-W1115 HydrophobicContact CD2-CD2 4.25Å; L1104-W1115 HydrophobicContact CD2-CE3 4.36Å; L1104-W1115 HydrophobicContact CD2-CH2 3.91Å; L1104-W1115 HydrophobicContact CD2-CZ2 3.78Å; L1104-W1115 HydrophobicContact CD2-CZ3 4.2Å; L1104-W1115 HydrophobicContact CG-CZ2 4.42Å; L1104-L1139 HydrophobicContact CB-CD1 4.03Å; L1104-L1139 HydrophobicContact CB-CD2 4.3Å | ||
| 1105 | D | 76.1 | Confident | 75.5 | Confident | 80 Ų | 80 | 55.4 Ų | 55.4 | 43% | 0.428 | 31% | 0.314 | S | S | . | . | trans | -134.8 | 155.8 | -168.7 | 178.5 | 21.1 | 0 | 0 | 0 | 111.4 | G1111 A1112 | D1105-G1111 WeakPolarHBondContact O-CA 3.46Å; D1105-A1112 PolarHBondContact O-N 3.11Å | ||
| 1106 | R | 79.2 | Confident | 75.6 | Confident | 48 Ų | 48 | 56.6 Ų | 56.6 | 18% | 0.181 | 32% | 0.318 | C | S | . | . | trans | -114.1 | -47.4 | -167.6 | -173.2 | 179.5 | 172.2 | -78.9 | -18.8 | 117 | E1050 G1111 A1112 E1113 D1141 | E1050-R1106 WeakPolarHBondContact OE2-CB 3.45Å; R1106-G1111 VanDerWaalsContact C-C 3.48Å; R1106-G1111 VanDerWaalsContact C-CA 3.41Å; R1106-G1111 CarbonylContact O-C 3.57Å; R1106-A1112 PolarHBondContact O-N 2.82Å; R1106-A1112 VanDerWaalsContact O-N 3.12Å; R1106-E1113 HydrophobicContact CG-CB 3.92Å; R1106-E1113 IonicContact CZ-OE2 2.6Å; R1106-E1113 IonicContact NE-OE2 2.82Å; R1106-E1113 IonicContact NH2-OE2 3.81Å; R1106-E1113 PolarHBondContact NH2-OE2 2.85Å; R1106-D1141 IonicContact NH1-OD1 3.84Å; R1106-D1141 PolarHBondContact NH1-OD1 2.04Å; R1106-D1141 VanDerWaalsContact NH1-OD1 3.17Å | ||
| 1107 | D | 72.7 | Confident | 75.5 | Confident | 53 Ų | 53 | 56.8 Ų | 56.8 | 28% | 0.283 | 32% | 0.319 | S | S | . | . | S | Bend | trans | -97.6 | 153.8 | -157.3 | -83 | -76.9 | 0 | 0 | 0 | 116.2 | N1110 G1111 | D1107-N1110 PolarHBondContact O-N 2.8Å; D1107-G1111 PolarHBondContact O-N 3.42Å |
| 1108 | P | 64.9 | Low | 75.8 | Confident | 115 Ų | 115 | 57 Ų | 57 | 75% | 0.747 | 32% | 0.322 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -67 | 142 | -173.6 | -20.1 | 33.6 | 0 | 0 | 0 | 112.8 | ||
| 1109 | P | 59 | Low | 75.6 | Confident | 120 Ų | 120 | 57 Ų | 57 | 78% | 0.779 | 32% | 0.322 | S | S | * | . | T | Hydrogen-bonded Turn | cis | -97.2 | 1.7 | 14 | 37.2 | -36.8 | 0 | 0 | 0 | 115.6 | ||
| 1110 | N | 60.6 | Low | 76.2 | Confident | 142 Ų | 142 | 55.5 Ų | 55.5 | 76% | 0.759 | 32% | 0.316 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -112.7 | -26.9 | -165.4 | -64.3 | -37.9 | 0 | 0 | 0 | 115.1 | D1107 | D1107-N1110 PolarHBondContact O-N 2.8Š|
| 1111 | G | 66.6 | Low | 76.1 | Confident | 21 Ų | 21 | 55.4 Ų | 55.4 | 22% | 0.216 | 32% | 0.315 | C | S | . | . | trans | -89.1 | 173.5 | 178.9 | 0 | 0 | 0 | 0 | 0 | 113.8 | D1105 R1106 D1107 | D1105-G1111 WeakPolarHBondContact O-CA 3.46Å; R1106-G1111 VanDerWaalsContact C-C 3.48Å; R1106-G1111 VanDerWaalsContact C-CA 3.41Å; R1106-G1111 CarbonylContact O-C 3.57Å; D1107-G1111 PolarHBondContact O-N 3.42Å | ||
| 1112 | A | 75.4 | Confident | 76.3 | Confident | 38 Ų | 38 | 53.9 Ų | 53.9 | 31% | 0.314 | 30% | 0.302 | S | S | . | . | trans | -149 | 126.2 | 174.4 | 0 | 0 | 0 | 0 | 0 | 111.4 | D1105 R1106 V1114 W1115 L1139 | D1105-A1112 PolarHBondContact O-N 3.11Å; R1106-A1112 PolarHBondContact O-N 2.82Å; R1106-A1112 VanDerWaalsContact O-N 3.12Å; A1112-V1114 VanDerWaalsContact C-N 3.26Å; A1112-V1114 PolarHBondContact O-N 2.73Å; A1112-W1115 PolarHBondContact O-NE1 2.89Å; A1112-L1139 WeakPolarHBondContact O-CD1 3.49Å | ||
| 1113 | E | 71.2 | Confident | 76.2 | Confident | 107 Ų | 107 | 50.7 Ų | 50.7 | 50% | 0.5 | 29% | 0.288 | S | S | . | . | S | Bend | trans | -70 | -14.2 | -175.1 | 56.9 | 171.6 | -148.9 | 0 | 0 | 115.9 | R1106 L1139 | R1106-E1113 HydrophobicContact CG-CB 3.92Å; R1106-E1113 IonicContact CZ-OE2 2.6Å; R1106-E1113 IonicContact NE-OE2 2.82Å; R1106-E1113 IonicContact NH2-OE2 3.81Å; R1106-E1113 PolarHBondContact NH2-OE2 2.85Å; E1113-L1139 PolarHBondContact O-N 3.12Å; E1113-L1139 VanDerWaalsContact O-N 3.08Å |
| 1114 | V | 78.8 | Confident | 76.5 | Confident | 41 Ų | 41 | 50.7 Ų | 50.7 | 25% | 0.248 | 29% | 0.285 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -139.3 | 134.3 | 178.2 | -175.8 | 0 | 0 | 0 | 0 | 110.8 | A1112 N1116 Q1136 V1137 L1138 | A1112-V1114 VanDerWaalsContact C-N 3.26Å; A1112-V1114 PolarHBondContact O-N 2.73Å; V1114-N1116 WeakPolarHBondContact CG1-OD1 3.45Å; V1114-Q1136 HydrophobicContact CG1-CG 3.89Å; V1114-V1137 WeakPolarHBondContact CA-O 3.38Å; V1114-L1138 HydrophobicContact CG2-CD2 3.84Å; V1114-L1138 HydrophobicContact CG2-CG 4.47Å |
| 1115 | W | 81.1 | Confident | 75.7 | Confident | 50 Ų | 50 | 51.4 Ų | 51.4 | 19% | 0.189 | 30% | 0.295 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.2 | 130.3 | 173.2 | -67.5 | 64.1 | 0 | 0 | 0 | 109.7 | Q1083 E1088 F1089 L1104 A1112 Q1136 V1137 | Q1083-W1115 HydrophobicContact CB-CE3 4.34Å; E1088-W1115 HydrophobicContact CG-CZ3 4.42Å; F1089-W1115 HydrophobicContact CE2-CE3 4.15Å; L1104-W1115 HydrophobicContact CB-CZ2 4.3Å; L1104-W1115 HydrophobicContact CD1-CD2 3.94Å; L1104-W1115 HydrophobicContact CD1-CG 3.96Å; L1104-W1115 HydrophobicContact CD2-CD2 4.25Å; L1104-W1115 HydrophobicContact CD2-CE3 4.36Å; L1104-W1115 HydrophobicContact CD2-CH2 3.91Å; L1104-W1115 HydrophobicContact CD2-CZ2 3.78Å; L1104-W1115 HydrophobicContact CD2-CZ3 4.2Å; L1104-W1115 HydrophobicContact CG-CZ2 4.42Å; A1112-W1115 PolarHBondContact O-NE1 2.89Å; W1115-Q1136 WeakPolarHBondContact O-CA 3.13Å; W1115-V1137 HydrophobicContact CB-CB 4.33Å; W1115-V1137 PolarHBondContact N-O 3.4Å; W1115-V1137 PolarHBondContact O-N 3.33Å |
| 1116 | N | 79.6 | Confident | 75.4 | Confident | 78 Ų | 78 | 49 Ų | 49 | 42% | 0.417 | 29% | 0.289 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.5 | 131.8 | -178.6 | -55.3 | -61.3 | 0 | 0 | 0 | 111.8 | Q1083 V1114 V1135 Q1136 | Q1083-N1116 WeakPolarHBondContact CB-O 3.34Å; Q1083-N1116 PolarHBondContact N-O 2.73Å; Q1083-N1116 VanDerWaalsContact OE1-N 3.09Å; V1114-N1116 WeakPolarHBondContact CG1-OD1 3.45Å; N1116-V1135 WeakPolarHBondContact CA-O 3.45Å; N1116-Q1136 WeakPolarHBondContact OD1-CG 2.88Å; N1116-Q1136 PolarHBondContact OD1-NE2 3.47Å |
| 1117 | F | 79.7 | Confident | 74.8 | Confident | 3 Ų | 3 | 54.5 Ų | 54.5 | 1% | 0.013 | 31% | 0.314 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -151.9 | 166.3 | 176.6 | 59.9 | -93.3 | 0 | 0 | 0 | 111.3 | L1059 L1080 F1089 L1098 V1135 V1137 | L1059-F1117 HydrophobicContact CD1-CZ 4.17Å; L1080-F1117 HydrophobicContact CD2-CD2 3.59Å; L1080-F1117 HydrophobicContact CD2-CE2 3.77Å; F1089-F1117 HydrophobicContact CB-CE1 4.23Å; F1089-F1117 HydrophobicContact CB-CE2 4.11Å; F1089-F1117 HydrophobicContact CB-CZ 3.87Å; F1089-F1117 AromaticContact CD1-CE1 3.67Å; F1089-F1117 HydrophobicContact CD1-CE1 3.67Å; F1089-F1117 AromaticContact CD1-CZ 3.66Å; F1089-F1117 HydrophobicContact CD1-CZ 3.66Å; F1089-F1117 AromaticContact CD2-CD1 3.55Å; F1089-F1117 HydrophobicContact CD2-CD1 3.55Å; F1089-F1117 AromaticContact CD2-CE1 3.32Å; F1089-F1117 HydrophobicContact CD2-CE1 3.32Å; F1089-F1117 HydrophobicContact CD2-CG 4.29Å; F1089-F1117 AromaticContact CD2-CZ 3.87Å; F1089-F1117 HydrophobicContact CD2-CZ 3.87Å; F1089-F1117 AromaticContact CE1-CE1 3.77Å; F1089-F1117 HydrophobicContact CE1-CE1 3.77Å; F1089-F1117 HydrophobicContact CE1-CZ 4.14Å; F1089-F1117 AromaticContact CE2-CD1 3.69Å; F1089-F1117 HydrophobicContact CE2-CD1 3.69Å; F1089-F1117 AromaticContact CE2-CE1 3.43Å; F1089-F1117 HydrophobicContact CE2-CE1 3.43Å; F1089-F1117 VanDerWaalsContact CE2-CE1 3.43Å; F1089-F1117 HydrophobicContact CE2-CZ 4.33Å; F1089-F1117 HydrophobicContact CG-CD1 4.09Å; F1089-F1117 AromaticContact CG-CE1 3.45Å; F1089-F1117 HydrophobicContact CG-CE1 3.45Å; F1089-F1117 VanDerWaalsContact CG-CE1 3.45Å; F1089-F1117 HydrophobicContact CG-CE2 4.2Å; F1089-F1117 AromaticContact CG-CZ 3.5Å; F1089-F1117 HydrophobicContact CG-CZ 3.5Å; F1089-F1117 VanDerWaalsContact CG-CZ 3.5Å; F1089-F1117 HydrophobicContact CZ-CD1 4.31Å; F1089-F1117 AromaticContact CZ-CE1 3.65Å; F1089-F1117 HydrophobicContact CZ-CE1 3.65Å; F1089-F1117 HydrophobicContact CZ-CZ 4.45Å; L1098-F1117 HydrophobicContact CD1-CE2 4.11Å; L1098-F1117 HydrophobicContact CD2-CE2 3.86Å; L1098-F1117 HydrophobicContact CD2-CZ 4Å; F1117-V1135 HydrophobicContact CD2-CB 3.85Å; F1117-V1135 HydrophobicContact CD2-CG1 4.42Å; F1117-V1135 HydrophobicContact CD2-CG2 4.21Å; F1117-V1135 HydrophobicContact CE1-CB 4.3Å; F1117-V1135 HydrophobicContact CE1-CG1 4.02Å; F1117-V1135 HydrophobicContact CE2-CB 3.53Å; F1117-V1135 HydrophobicContact CE2-CG1 3.65Å; F1117-V1135 HydrophobicContact CE2-CG2 3.85Å; F1117-V1135 HydrophobicContact CG-CB 4.38Å; F1117-V1135 HydrophobicContact CZ-CB 3.78Å; F1117-V1135 HydrophobicContact CZ-CG1 3.42Å; F1117-V1135 VanDerWaalsContact CZ-CG1 3.42Å; F1117-V1135 HydrophobicContact CZ-CG2 4.48Å; F1117-V1135 PolarHBondContact N-O 2.95Å; F1117-V1135 WeakPolarHBondContact O-CA 3.43Å; F1117-V1135 WeakPolarHBondContact O-CB 3.38Å; F1117-V1135 PolarHBondContact O-N 3.25Å; F1117-V1137 HydrophobicContact CE1-CG2 4.12Å |
| 1118 | V | 84.5 | Confident | 75 | Confident | 39 Ų | 39 | 53.6 Ų | 53.6 | 24% | 0.236 | 32% | 0.317 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.4 | 138 | -164.7 | -168.5 | 0 | 0 | 0 | 0 | 111.7 | A1081 Y1132 | A1081-V1118 PolarHBondContact N-O 2.89Å; A1081-V1118 PolarHBondContact O-N 2.9Å; A1081-V1118 VanDerWaalsContact O-O 3.06Å; V1118-Y1132 HydrophobicContact CG1-CD1 3.88Å; V1118-Y1132 HydrophobicContact CG1-CG 4.44Å |
| 1119 | V | 82.1 | Confident | 75.7 | Confident | 0 Ų | 0 | 51.5 Ų | 51.5 | 0% | 0 | 30% | 0.299 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.5 | 137.1 | 171.1 | -174.8 | 0 | 0 | 0 | 0 | 109.6 | F1039 V1062 K1079 L1080 I1091 Y1132 A1133 V1135 | F1039-V1119 HydrophobicContact CE1-CG1 4.13Å; F1039-V1119 HydrophobicContact CZ-CB 4.3Å; F1039-V1119 HydrophobicContact CZ-CG1 3.8Å; V1062-V1119 HydrophobicContact CG2-CG1 3.76Å; K1079-V1119 WeakPolarHBondContact O-CA 3.21Å; K1079-V1119 WeakPolarHBondContact O-CG1 2.91Å; L1080-V1119 HydrophobicContact CD2-CG2 3.84Å; I1091-V1119 HydrophobicContact CD1-CG1 3.46Å; I1091-V1119 VanDerWaalsContact CD1-CG1 3.46Å; I1091-V1119 HydrophobicContact CD1-CG2 4.18Å; V1119-Y1132 CarbonylContact O-C 3.14Å; V1119-Y1132 WeakPolarHBondContact O-CA 3.36Å; V1119-A1133 PolarHBondContact N-O 3.26Å; V1119-A1133 PolarHBondContact O-N 2.85Å; V1119-V1135 HydrophobicContact CG2-CG2 3.68Å |
| 1120 | Q | 88.2 | Confident | 76.5 | Confident | 41 Ų | 41 | 48.8 Ų | 48.8 | 19% | 0.192 | 28% | 0.278 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.9 | 143.6 | 178 | -62.1 | 175.5 | -15.5 | 0 | 0 | 110.4 | Y1078 K1079 I1130 G1131 Y1132 | Y1078-Q1120 CarbonylContact C-O 3.57Å; Y1078-Q1120 VanDerWaalsContact CA-O 3.23Å; Y1078-Q1120 WeakPolarHBondContact CA-O 3.09Å; K1079-Q1120 HydrophobicContact CB-CB 4.24Å; K1079-Q1120 PolarHBondContact N-O 3.48Å; K1079-Q1120 PolarHBondContact O-N 3.46Å; Q1120-I1130 HydrophobicContact CB-CG2 4.09Å; Q1120-I1130 HydrophobicContact CG-CG2 4.3Å; Q1120-G1131 CarbonylContact C-O 3.51Å; Q1120-G1131 WeakPolarHBondContact CA-O 3.49Å; Q1120-Y1132 HydrophobicContact CG-CD1 3.91Å; Q1120-Y1132 HydrophobicContact CG-CE1 3.8Å |
| 1121 | A | 82.8 | Confident | 77.4 | Confident | 0 Ų | 0 | 42.5 Ų | 42.5 | 0% | 0 | 25% | 0.246 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.2 | 130.2 | 168.7 | 0 | 0 | 0 | 0 | 0 | 108.8 | F1039 A1064 I1076 V1077 Y1078 I1130 G1131 | F1039-A1121 HydrophobicContact CD2-CB 4.26Å; F1039-A1121 HydrophobicContact CE1-CB 3.98Å; F1039-A1121 HydrophobicContact CE2-CB 3.5Å; F1039-A1121 VanDerWaalsContact CE2-CB 3.5Å; F1039-A1121 HydrophobicContact CZ-CB 3.33Å; A1064-A1121 HydrophobicContact CB-CB 3.79Å; I1076-A1121 HydrophobicContact CG2-CB 3.74Å; V1077-A1121 CarbonylContact O-C 3.47Å; V1077-A1121 WeakPolarHBondContact O-CA 3.49Å; Y1078-A1121 HydrophobicContact CD1-CB 3.99Å; Y1078-A1121 HydrophobicContact CE1-CB 3.91Å; A1121-I1130 CarbonylContact O-C 3.57Å; A1121-I1130 WeakPolarHBondContact O-CA 3.26Å; A1121-G1131 PolarHBondContact N-O 3.49Å; A1121-G1131 PolarHBondContact O-N 2.76Å |
| 1122 | I | 81.5 | Confident | 78.2 | Confident | 6 Ų | 6 | 47.8 Ų | 47.8 | 3% | 0.031 | 26% | 0.261 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.1 | 125.2 | -170.6 | -50.2 | 162.8 | 0 | 0 | 0 | 111.1 | I1076 V1077 K1079 G1126 L1129 I1130 | I1076-I1122 CarbonylContact C-O 3.54Å; I1076-I1122 VanDerWaalsContact CA-O 3.27Å; I1076-I1122 WeakPolarHBondContact CA-O 3.35Å; V1077-I1122 PolarHBondContact N-O 2.83Å; V1077-I1122 PolarHBondContact O-N 2.9Å; K1079-I1122 HydrophobicContact CD-CD1 3.9Å; I1122-G1126 VanDerWaalsContact CG2-C 3.48Å; I1122-L1129 WeakPolarHBondContact CA-O 3.22Å; I1122-I1130 HydrophobicContact CG1-CB 4.49Å; I1122-I1130 HydrophobicContact CG1-CD1 4.39Å; I1122-I1130 HydrophobicContact CG1-CG1 4.08Å; I1122-I1130 HydrophobicContact CG1-CG2 4.04Å; I1122-I1130 HydrophobicContact CG2-CG1 4.27Å |
| 1123 | D | 77.5 | Confident | 78.3 | Confident | 7 Ų | 7 | 46 Ų | 46 | 4% | 0.037 | 25% | 0.246 | C | C | . | . | S | Bend | trans | -79.7 | -169.7 | 179.4 | 68 | 56.3 | 0 | 0 | 0 | 114.7 | P1037 S1073 R1075 G1125 G1126 K1127 G1128 L1129 | P1037-D1123 VanDerWaalsContact CD-OD2 3.29Å; P1037-D1123 WeakPolarHBondContact CD-OD2 3.39Å; P1037-D1123 HydrophobicContact CG-CB 4.12Å; S1073-D1123 VanDerWaalsContact O-CB 3.24Å; S1073-D1123 WeakPolarHBondContact O-CB 3.2Å; R1075-D1123 CarbonylContact O-C 3.57Å; R1075-D1123 WeakPolarHBondContact O-CA 3.36Å; D1123-G1125 PolarHBondContact O-N 2.83Å; D1123-G1126 CarbonylContact O-C 3.55Å; D1123-G1126 WeakPolarHBondContact O-CA 3.4Å; D1123-G1126 PolarHBondContact O-N 3.48Å; D1123-K1127 PolarHBondContact O-N 3.47Å; D1123-G1128 PolarHBondContact O-N 3.07Å; D1123-G1128 WeakPolarHBondContact OD1-CA 3.46Å; D1123-G1128 PolarHBondContact OD1-N 2.83Å; D1123-L1129 VanDerWaalsContact CG-N 3.27Å; D1123-L1129 PolarHBondContact N-O 3.23Å; D1123-L1129 PolarHBondContact OD1-N 2.81Å; D1123-L1129 VanDerWaalsContact OD1-N 3.14Å; D1123-L1129 VanDerWaalsContact OD2-CA 3.24Å; D1123-L1129 WeakPolarHBondContact OD2-CA 3.15Å; D1123-L1129 WeakPolarHBondContact OD2-CB 3.47Å; D1123-L1129 PolarHBondContact OD2-N 2.94Å |
| 1124 | D | 81.2 | Confident | 78.8 | Confident | 65 Ų | 65 | 45.1 Ų | 45.1 | 35% | 0.348 | 24% | 0.244 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 44.1 | 34.9 | -169.2 | -174.6 | 41.6 | 0 | 0 | 0 | 113.5 | R1075 G1126 K1127 | R1075-D1124 PolarHBondContact O-N 2.99Å; D1124-G1126 VanDerWaalsContact C-N 3.34Å; D1124-G1126 PolarHBondContact O-N 2.85Å; D1124-K1127 HydrophobicContact CB-CB 4.04Å; D1124-K1127 WeakPolarHBondContact OD2-CD 3.47Å; D1124-K1127 IonicContact OD2-NZ 2.79Å |
| 1125 | G | 66.4 | Low | 78.8 | Confident | 26 Ų | 26 | 43.2 Ų | 43.2 | 27% | 0.268 | 23% | 0.233 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 67.8 | 31.3 | -176 | 0 | 0 | 0 | 0 | 0 | 114.2 | R1075 D1123 | R1075-G1125 WeakPolarHBondContact O-CA 3.31Å; R1075-G1125 PolarHBondContact O-N 3.21Å; D1123-G1125 PolarHBondContact O-N 2.83Å |
| 1126 | G | 70.1 | Confident | 78.9 | Confident | 30 Ų | 30 | 42.6 Ų | 42.6 | 31% | 0.309 | 23% | 0.232 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 101.3 | 35.9 | 177.9 | 0 | 0 | 0 | 0 | 0 | 114.5 | I1122 D1123 D1124 | I1122-G1126 VanDerWaalsContact CG2-C 3.48Å; D1123-G1126 CarbonylContact O-C 3.55Å; D1123-G1126 WeakPolarHBondContact O-CA 3.4Å; D1123-G1126 PolarHBondContact O-N 3.48Å; D1124-G1126 VanDerWaalsContact C-N 3.34Å; D1124-G1126 PolarHBondContact O-N 2.85Å |
| 1127 | K | 67.3 | Low | 78.9 | Confident | 162 Ų | 162 | 39 Ų | 39 | 70% | 0.704 | 21% | 0.213 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -139.1 | -32.2 | -172.8 | -77.7 | 176.3 | 169.8 | -174.6 | 0 | 117.5 | D1123 D1124 | D1123-K1127 PolarHBondContact O-N 3.47Å; D1124-K1127 HydrophobicContact CB-CB 4.04Å; D1124-K1127 WeakPolarHBondContact OD2-CD 3.47Å; D1124-K1127 IonicContact OD2-NZ 2.79Å |
| 1128 | G | 77.4 | Confident | 78.7 | Confident | 34 Ų | 34 | 41.8 Ų | 41.8 | 35% | 0.351 | 23% | 0.228 | S | C | . | . | S | Bend | trans | -93.9 | -132.3 | -176 | 0 | 0 | 0 | 0 | 0 | 112.4 | D1123 | D1123-G1128 PolarHBondContact O-N 3.07Å; D1123-G1128 WeakPolarHBondContact OD1-CA 3.46Å; D1123-G1128 PolarHBondContact OD1-N 2.83Å |
| 1129 | L | 78.6 | Confident | 78.2 | Confident | 71 Ų | 71 | 40.6 Ų | 40.6 | 37% | 0.372 | 22% | 0.22 | S | C | . | . | trans | -67.6 | 154.4 | -172.3 | -51.2 | 176.2 | 0 | 0 | 0 | 111.3 | A1036 I1122 D1123 | A1036-L1129 HydrophobicContact CB-CB 3.69Å; A1036-L1129 HydrophobicContact CB-CD1 3.97Å; A1036-L1129 HydrophobicContact CB-CG 4.45Å; I1122-L1129 WeakPolarHBondContact CA-O 3.22Å; D1123-L1129 VanDerWaalsContact CG-N 3.27Å; D1123-L1129 PolarHBondContact N-O 3.23Å; D1123-L1129 PolarHBondContact OD1-N 2.81Å; D1123-L1129 VanDerWaalsContact OD1-N 3.14Å; D1123-L1129 VanDerWaalsContact OD2-CA 3.24Å; D1123-L1129 WeakPolarHBondContact OD2-CA 3.15Å; D1123-L1129 WeakPolarHBondContact OD2-CB 3.47Å; D1123-L1129 PolarHBondContact OD2-N 2.94Å | ||
| 1130 | I | 77.1 | Confident | 77.4 | Confident | 64 Ų | 64 | 43.8 Ų | 43.8 | 33% | 0.328 | 24% | 0.24 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.9 | 109.9 | -173.3 | -48.7 | -172.5 | 0 | 0 | 0 | 109.1 | Q1120 A1121 I1122 Y1132 | Q1120-I1130 HydrophobicContact CB-CG2 4.09Å; Q1120-I1130 HydrophobicContact CG-CG2 4.3Å; A1121-I1130 CarbonylContact O-C 3.57Å; A1121-I1130 WeakPolarHBondContact O-CA 3.26Å; I1122-I1130 HydrophobicContact CG1-CB 4.49Å; I1122-I1130 HydrophobicContact CG1-CD1 4.39Å; I1122-I1130 HydrophobicContact CG1-CG1 4.08Å; I1122-I1130 HydrophobicContact CG1-CG2 4.04Å; I1122-I1130 HydrophobicContact CG2-CG1 4.27Å; I1130-Y1132 HydrophobicContact CB-CE2 3.91Å; I1130-Y1132 HydrophobicContact CG2-CD1 4.44Å; I1130-Y1132 HydrophobicContact CG2-CD2 4.29Å; I1130-Y1132 HydrophobicContact CG2-CE1 3.89Å; I1130-Y1132 HydrophobicContact CG2-CE2 3.7Å; I1130-Y1132 VanDerWaalsContact CG2-CZ 3.48Å; I1130-Y1132 VanDerWaalsContact O-CD2 3.31Å; I1130-Y1132 WeakPolarHBondContact O-CD2 3.2Å; I1130-Y1132 WeakPolarHBondContact O-CE2 3.49Å |
| 1131 | G | 79.2 | Confident | 76.3 | Confident | 9 Ų | 9 | 46.3 Ų | 46.3 | 9% | 0.093 | 25% | 0.254 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -76.9 | 149 | 162.9 | 0 | 0 | 0 | 0 | 0 | 111.1 | P1037 Q1120 A1121 | P1037-G1131 WeakPolarHBondContact O-CA 3.31Å; Q1120-G1131 CarbonylContact C-O 3.51Å; Q1120-G1131 WeakPolarHBondContact CA-O 3.49Å; A1121-G1131 PolarHBondContact N-O 3.49Å; A1121-G1131 PolarHBondContact O-N 2.76Å |
| 1132 | Y | 83.2 | Confident | 75.4 | Confident | 133 Ų | 133 | 51.8 Ų | 51.8 | 52% | 0.522 | 28% | 0.283 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.8 | 148 | 178.3 | -61.2 | -92.5 | 0 | 0 | 0 | 110.3 | F1039 V1118 V1119 Q1120 I1130 | F1039-Y1132 VanDerWaalsContact CD2-C 3.46Å; F1039-Y1132 WeakPolarHBondContact CD2-O 3.3Å; V1118-Y1132 HydrophobicContact CG1-CD1 3.88Å; V1118-Y1132 HydrophobicContact CG1-CG 4.44Å; V1119-Y1132 CarbonylContact O-C 3.14Å; V1119-Y1132 WeakPolarHBondContact O-CA 3.36Å; Q1120-Y1132 HydrophobicContact CG-CD1 3.91Å; Q1120-Y1132 HydrophobicContact CG-CE1 3.8Å; I1130-Y1132 HydrophobicContact CB-CE2 3.91Å; I1130-Y1132 HydrophobicContact CG2-CD1 4.44Å; I1130-Y1132 HydrophobicContact CG2-CD2 4.29Å; I1130-Y1132 HydrophobicContact CG2-CE1 3.89Å; I1130-Y1132 HydrophobicContact CG2-CE2 3.7Å; I1130-Y1132 VanDerWaalsContact CG2-CZ 3.48Å; I1130-Y1132 VanDerWaalsContact O-CD2 3.31Å; I1130-Y1132 WeakPolarHBondContact O-CD2 3.2Å; I1130-Y1132 WeakPolarHBondContact O-CE2 3.49Å |
| 1133 | A | 77.6 | Confident | 74.2 | Confident | 1 Ų | 1 | 55.2 Ų | 55.2 | 1% | 0.008 | 30% | 0.301 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -143.1 | 133.1 | 168.2 | 0 | 0 | 0 | 0 | 0 | 110.7 | F1039 P1042 Y1044 V1119 | F1039-A1133 HydrophobicContact CB-CB 3.95Å; F1039-A1133 HydrophobicContact CD1-CB 4.18Å; F1039-A1133 HydrophobicContact CD2-CB 3.53Å; F1039-A1133 HydrophobicContact CE2-CB 3.97Å; F1039-A1133 HydrophobicContact CG-CB 3.63Å; F1039-A1133 HydrophobicContact CZ-CB 4.47Å; P1042-A1133 WeakPolarHBondContact O-CA 3.25Å; Y1044-A1133 HydrophobicContact CD2-CB 4.05Å; Y1044-A1133 HydrophobicContact CE2-CB 3.74Å; V1119-A1133 PolarHBondContact N-O 3.26Å; V1119-A1133 PolarHBondContact O-N 2.85Å |
| 1134 | D | 80.1 | Confident | 73.4 | Confident | 87 Ų | 87 | 61 Ų | 61 | 47% | 0.465 | 33% | 0.332 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -76 | 153.4 | 179.8 | -72.4 | -30.5 | 0 | 0 | 0 | 111.8 | P1042 L1043 Y1044 | P1042-D1134 PolarHBondContact O-N 2.93Å; L1043-D1134 CarbonylContact C-O 3.52Å; L1043-D1134 WeakPolarHBondContact CA-O 3.45Å; L1043-D1134 HydrophobicContact CB-CB 4.4Å; L1043-D1134 HydrophobicContact CD1-CB 3.58Å; Y1044-D1134 PolarHBondContact N-O 3.11Å |
| 1135 | V | 80 | Confident | 72.4 | Confident | 1 Ų | 1 | 62.4 Ų | 62.4 | 1% | 0.006 | 34% | 0.339 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.8 | 126.4 | 171.8 | -173.3 | 0 | 0 | 0 | 0 | 109 | Y1044 L1060 L1098 N1116 F1117 V1119 | Y1044-V1135 VanDerWaalsContact O-CA 3.3Å; Y1044-V1135 WeakPolarHBondContact O-CA 3.3Å; L1060-V1135 HydrophobicContact CD2-CG1 4.19Å; L1098-V1135 HydrophobicContact CD2-CG1 3.92Å; L1098-V1135 HydrophobicContact CD2-CG2 4.18Å; N1116-V1135 WeakPolarHBondContact CA-O 3.45Å; F1117-V1135 HydrophobicContact CD2-CB 3.85Å; F1117-V1135 HydrophobicContact CD2-CG1 4.42Å; F1117-V1135 HydrophobicContact CD2-CG2 4.21Å; F1117-V1135 HydrophobicContact CE1-CB 4.3Å; F1117-V1135 HydrophobicContact CE1-CG1 4.02Å; F1117-V1135 HydrophobicContact CE2-CB 3.53Å; F1117-V1135 HydrophobicContact CE2-CG1 3.65Å; F1117-V1135 HydrophobicContact CE2-CG2 3.85Å; F1117-V1135 HydrophobicContact CG-CB 4.38Å; F1117-V1135 HydrophobicContact CZ-CB 3.78Å; F1117-V1135 HydrophobicContact CZ-CG1 3.42Å; F1117-V1135 VanDerWaalsContact CZ-CG1 3.42Å; F1117-V1135 HydrophobicContact CZ-CG2 4.48Å; F1117-V1135 PolarHBondContact N-O 2.95Å; F1117-V1135 WeakPolarHBondContact O-CA 3.43Å; F1117-V1135 WeakPolarHBondContact O-CB 3.38Å; F1117-V1135 PolarHBondContact O-N 3.25Å; V1119-V1135 HydrophobicContact CG2-CG2 3.68Å |
| 1136 | Q | 82 | Confident | 71.7 | Confident | 38 Ų | 38 | 64.6 Ų | 64.6 | 18% | 0.178 | 36% | 0.355 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122 | 133.9 | -178.5 | 174.2 | 164.6 | 89.8 | 0 | 0 | 111.5 | L1043 Y1044 K1045 A1046 V1114 W1115 N1116 L1138 | L1043-Q1136 HydrophobicContact CD1-CB 4.03Å; Y1044-Q1136 PolarHBondContact O-N 3.22Å; K1045-Q1136 HydrophobicContact CG-CB 4.43Å; A1046-Q1136 PolarHBondContact N-O 2.83Å; V1114-Q1136 HydrophobicContact CG1-CG 3.89Å; W1115-Q1136 WeakPolarHBondContact O-CA 3.13Å; N1116-Q1136 WeakPolarHBondContact OD1-CG 2.88Å; N1116-Q1136 PolarHBondContact OD1-NE2 3.47Å; Q1136-L1138 HydrophobicContact CG-CD1 4.47Å |
| 1137 | V | 80.3 | Confident | 71.4 | Confident | 1 Ų | 1 | 66.1 Ų | 66.1 | 1% | 0.006 | 36% | 0.359 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.8 | 130.8 | 176.2 | -165.9 | 0 | 0 | 0 | 0 | 110.2 | A1046 I1048 F1089 V1114 W1115 F1117 | A1046-V1137 HydrophobicContact CB-CG2 4.46Å; A1046-V1137 WeakPolarHBondContact O-CA 3.11Å; I1048-V1137 HydrophobicContact CD1-CG1 4.37Å; I1048-V1137 HydrophobicContact CG1-CG1 4.03Å; I1048-V1137 HydrophobicContact CG2-CG1 4.06Å; F1089-V1137 HydrophobicContact CE1-CG2 4.3Å; F1089-V1137 HydrophobicContact CZ-CG2 4.33Å; V1114-V1137 WeakPolarHBondContact CA-O 3.38Å; W1115-V1137 HydrophobicContact CB-CB 4.33Å; W1115-V1137 PolarHBondContact N-O 3.4Å; W1115-V1137 PolarHBondContact O-N 3.33Å; F1117-V1137 HydrophobicContact CE1-CG2 4.12Å |
| 1138 | L | 74.6 | Confident | 71.3 | Confident | 62 Ų | 62 | 63.3 Ų | 63.3 | 33% | 0.325 | 35% | 0.347 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.6 | 151.6 | -177.5 | -71.6 | 131.6 | 0 | 0 | 0 | 112.9 | A1046 V1047 I1048 V1114 Q1136 | A1046-L1138 PolarHBondContact O-N 3.18Å; V1047-L1138 HydrophobicContact CG1-CB 4.36Å; V1047-L1138 HydrophobicContact CG2-CB 4.38Å; V1047-L1138 HydrophobicContact CG2-CD1 4.3Å; I1048-L1138 PolarHBondContact N-O 2.58Å; V1114-L1138 HydrophobicContact CG2-CD2 3.84Å; V1114-L1138 HydrophobicContact CG2-CG 4.47Å; Q1136-L1138 HydrophobicContact CG-CD1 4.47Å |
| 1139 | L | 74.2 | Confident | 70.7 | Confident | 14 Ų | 14 | 65 Ų | 65 | 7% | 0.073 | 35% | 0.345 | C | S | . | . | trans | -127.8 | 174.8 | -176.5 | -72.8 | 155.8 | 0 | 0 | 0 | 113.1 | I1048 E1050 L1104 A1112 E1113 | I1048-L1139 HydrophobicContact CD1-CD2 4.18Å; I1048-L1139 HydrophobicContact CG1-CD2 3.68Å; I1048-L1139 HydrophobicContact CG1-CG 4.37Å; E1050-L1139 HydrophobicContact CB-CD2 4.05Å; L1104-L1139 HydrophobicContact CB-CD1 4.03Å; L1104-L1139 HydrophobicContact CB-CD2 4.3Å; A1112-L1139 WeakPolarHBondContact O-CD1 3.49Å; E1113-L1139 PolarHBondContact O-N 3.12Å; E1113-L1139 VanDerWaalsContact O-N 3.08Å | ||
| 1140 | T | 65.2 | Low | 69.6 | Low | 68 Ų | 68 | 68 Ų | 68 | 42% | 0.417 | 36% | 0.355 | S | S | . | . | trans | -150.4 | 137.9 | -170.8 | 61.4 | 0 | 0 | 0 | 0 | 115.1 | E1050 | E1050-T1140 WeakPolarHBondContact CG-O 3.44Š| ||
| 1141 | D | 65.9 | Low | 68.6 | Low | 93 Ų | 93 | 67.7 Ų | 67.7 | 50% | 0.497 | 37% | 0.367 | S | S | . | . | trans | -69.7 | 152.6 | -164.5 | 177.3 | 58.8 | 0 | 0 | 0 | 121.7 | R1106 | R1106-D1141 IonicContact NH1-OD1 3.84Å; R1106-D1141 PolarHBondContact NH1-OD1 2.04Å; R1106-D1141 VanDerWaalsContact NH1-OD1 3.17Å | ||
| 1142 | I | 64.4 | Low | 67.5 | Low | 116 Ų | 116 | 70.3 Ų | 70.3 | 60% | 0.595 | 39% | 0.385 | S | S | * | . | trans | -145.9 | 145.5 | 173.6 | -64.7 | 174.6 | 0 | 0 | 0 | 110.7 | E1050 | E1050-I1142 VanDerWaalsContact OE1-CD1 3.27Å; E1050-I1142 WeakPolarHBondContact OE1-CD1 3.45Å; E1050-I1142 WeakPolarHBondContact OE1-CG1 3.28Å | ||
| 1143 | N | 55.7 | Low | 66.3 | Low | 78 Ų | 78 | 67.7 Ų | 67.7 | 42% | 0.417 | 38% | 0.384 | S | S | . | . | trans | -99.7 | 129 | -167.3 | -174.1 | 113.4 | 0 | 0 | 0 | 116.9 | D1201 N1207 | N1143-D1201 VanDerWaalsContact CG-OD2 3.29Å; N1143-D1201 PolarHBondContact ND2-OD2 2.85Å; N1143-D1201 VanDerWaalsContact OD1-CG 3.26Å; N1143-D1201 PolarHBondContact OD1-OD2 3.08Å; N1143-N1207 PolarHBondContact OD1-ND2 2.95Å | ||
| 1144 | D | 59.9 | Low | 66 | Low | 129 Ų | 129 | 69.9 Ų | 69.9 | 69% | 0.69 | 39% | 0.393 | S | S | * | . | trans | -152.8 | 16.7 | -179.9 | 69.6 | -4.4 | 0 | 0 | 0 | 121.9 | ||||
| 1145 | N | 62.2 | Low | 65.5 | Low | 94 Ų | 94 | 70.3 Ų | 70.3 | 50% | 0.503 | 40% | 0.395 | S | S | . | . | trans | -111.8 | -171.2 | -170.1 | -59.9 | -87 | 0 | 0 | 0 | 118 | N1200 D1201 | N1145-N1200 HydrophobicContact CB-CB 4.34Å; N1145-D1201 VanDerWaalsContact CB-OD1 3.28Å; N1145-D1201 WeakPolarHBondContact CB-OD1 3.15Å; N1145-D1201 PolarHBondContact N-OD1 2.81Å; N1145-D1201 PolarHBondContact N-OD2 3.02Å; N1145-D1201 PolarHBondContact ND2-OD1 2.7Å | ||
| 1146 | A | 50.7 | Low | 65 | Low | 72 Ų | 72 | 70.5 Ų | 70.5 | 60% | 0.595 | 40% | 0.397 | S | S | * | . | trans | -162.3 | 161.7 | -169.5 | 0 | 0 | 0 | 0 | 0 | 118.5 | ||||
| 1147 | P | 63.7 | Low | 64.6 | Low | 62 Ų | 62 | 75.8 Ų | 75.8 | 40% | 0.403 | 42% | 0.416 | S | S | . | . | trans | -93.4 | 165.9 | -168.3 | 29.7 | -33.3 | 0 | 0 | 0 | 121.2 | T1198 D1199 L1210 | P1147-T1198 CarbonylContact C-O 3.55Å; P1147-T1198 VanDerWaalsContact CA-O 3.31Å; P1147-T1198 WeakPolarHBondContact CA-O 3.36Å; P1147-T1198 WeakPolarHBondContact CB-O 3.28Å; P1147-D1199 HydrophobicContact CB-CB 3.79Å; P1147-D1199 VanDerWaalsContact CB-CG 3.42Å; P1147-D1199 VanDerWaalsContact CB-OD2 3.32Å; P1147-D1199 WeakPolarHBondContact CB-OD2 3.38Å; P1147-D1199 WeakPolarHBondContact CD-OD2 3.43Å; P1147-D1199 WeakPolarHBondContact CG-OD2 3.44Å; P1147-L1210 HydrophobicContact CB-CD2 4.48Å | ||
| 1148 | F | 65.4 | Low | 64.2 | Low | 102 Ų | 102 | 76.2 Ų | 76.2 | 45% | 0.447 | 42% | 0.419 | S | S | . | . | B | Isolated β-bridge | trans | -160.3 | 176.1 | -179.4 | 68.8 | -73.1 | 0 | 0 | 0 | 116.9 | K1150 T1198 | F1148-K1150 HydrophobicContact CD2-CG 4.26Å; F1148-K1150 HydrophobicContact CE2-CD 4.17Å; F1148-K1150 HydrophobicContact CE2-CG 3.7Å; F1148-K1150 HydrophobicContact CZ-CG 4.49Å; F1148-T1198 PolarHBondContact N-O 3.09Å; F1148-T1198 PolarHBondContact O-N 2.76Å |
| 1149 | F | 64.6 | Low | 64.2 | Low | 69 Ų | 69 | 76.3 Ų | 76.3 | 30% | 0.303 | 42% | 0.422 | S | S | . | . | trans | -99.5 | 149.7 | 175.7 | -100.4 | -69.3 | 0 | 0 | 0 | 112.7 | S1196 A1197 Y1212 I1255 | F1149-S1196 WeakPolarHBondContact CD1-O 3.48Å; F1149-S1196 WeakPolarHBondContact CE1-O 3.33Å; F1149-A1197 HydrophobicContact CD1-CB 3.71Å; F1149-A1197 HydrophobicContact CE1-CB 4.04Å; F1149-A1197 HydrophobicContact CG-CB 4.08Å; F1149-Y1212 HydrophobicContact CE1-CE1 4.2Å; F1149-Y1212 HydrophobicContact CZ-CD1 4.18Å; F1149-Y1212 HydrophobicContact CZ-CE1 4.18Å; F1149-I1255 HydrophobicContact CD2-CD1 4.22Å; F1149-I1255 HydrophobicContact CE1-CD1 4.27Å; F1149-I1255 HydrophobicContact CE2-CB 4.14Å; F1149-I1255 HydrophobicContact CE2-CD1 3.36Å; F1149-I1255 HydrophobicContact CE2-CG1 3.47Å; F1149-I1255 VanDerWaalsContact CE2-CG1 3.47Å; F1149-I1255 HydrophobicContact CZ-CD1 3.39Å; F1149-I1255 HydrophobicContact CZ-CG1 3.57Å | ||
| 1150 | K | 55.8 | Low | 64 | Low | 135 Ų | 135 | 76.2 Ų | 76.2 | 59% | 0.587 | 42% | 0.421 | S | S | * | . | trans | -128.6 | 140.4 | 165.9 | -65.7 | -177.9 | -178.4 | 177.5 | 0 | 110.8 | F1148 | F1148-K1150 HydrophobicContact CD2-CG 4.26Å; F1148-K1150 HydrophobicContact CE2-CD 4.17Å; F1148-K1150 HydrophobicContact CE2-CG 3.7Å; F1148-K1150 HydrophobicContact CZ-CG 4.49Å | ||
| 1151 | G | 55.8 | Low | 64.1 | Low | 57 Ų | 57 | 78.1 Ų | 78.1 | 59% | 0.588 | 43% | 0.429 | S | S | * | . | trans | 105.1 | 12.3 | 162.2 | 0 | 0 | 0 | 0 | 0 | 119.8 | F1154 | G1151-F1154 WeakPolarHBondContact O-CE1 3.32Š| ||
| 1152 | S | 56.6 | Low | 64 | Low | 65 Ų | 65 | 77.6 Ų | 77.6 | 46% | 0.455 | 43% | 0.425 | S | S | . | . | P | Polyproline II helix | trans | -79.2 | 138.9 | 172.6 | -178.9 | 0 | 0 | 0 | 0 | 111.3 | V1262 | S1152-V1262 PolarHBondContact OG-N 2.81Å; S1152-V1262 VanDerWaalsContact OG-N 3.08Å |
| 1153 | P | 58.5 | Low | 63.7 | Low | 78 Ų | 78 | 75.7 Ų | 75.7 | 51% | 0.506 | 42% | 0.419 | S | S | . | . | S | Bend | cis | -88.6 | 154.9 | 4.7 | 35.9 | -35.8 | 0 | 0 | 0 | 114.7 | V1262 | P1153-V1262 VanDerWaalsContact CA-O 3.23Å; P1153-V1262 WeakPolarHBondContact CA-O 3.37Å; P1153-V1262 HydrophobicContact CB-CB 4.24Å; P1153-V1262 HydrophobicContact CB-CG1 4.45Å |
| 1154 | F | 70.3 | Confident | 63.6 | Low | 46 Ų | 46 | 73 Ų | 73 | 20% | 0.202 | 41% | 0.406 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.5 | 146.5 | -178.2 | -54.3 | -90.2 | 0 | 0 | 0 | 112 | G1151 M1193 L1195 V1262 A1263 I1264 | G1151-F1154 WeakPolarHBondContact O-CE1 3.32Å; F1154-M1193 HydrophobicContact CB-SD 4.11Å; F1154-L1195 HydrophobicContact CB-CD2 3.95Å; F1154-L1195 HydrophobicContact CD1-CD2 3.62Å; F1154-L1195 HydrophobicContact CD2-CD2 3.46Å; F1154-L1195 VanDerWaalsContact CD2-CD2 3.46Å; F1154-L1195 HydrophobicContact CE1-CD2 3.91Å; F1154-L1195 HydrophobicContact CE2-CD2 3.78Å; F1154-L1195 HydrophobicContact CG-CD2 3.38Å; F1154-L1195 HydrophobicContact CZ-CD2 3.99Å; F1154-V1262 PolarHBondContact N-O 3.08Å; F1154-A1263 HydrophobicContact CB-CB 4.12Å; F1154-A1263 CarbonylContact O-C 3.42Å; F1154-A1263 WeakPolarHBondContact O-CA 3.07Å; F1154-A1263 WeakPolarHBondContact O-CB 3.47Å; F1154-I1264 PolarHBondContact O-N 2.99Å |
| 1155 | I | 70 | Confident | 62.9 | Low | 97 Ų | 97 | 75.9 Ų | 75.9 | 50% | 0.497 | 41% | 0.412 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -125 | 143.6 | -173.3 | -56.2 | 178.2 | 0 | 0 | 0 | 111.3 | Y1157 I1264 | I1155-Y1157 HydrophobicContact CG2-CE2 4.21Å; I1155-I1264 CarbonylContact C-O 3.44Å; I1155-I1264 WeakPolarHBondContact CA-O 3.45Å |
| 1156 | G | 69.1 | Low | 61.7 | Low | 5 Ų | 5 | 75.1 Ų | 75.1 | 5% | 0.052 | 43% | 0.427 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -143.8 | 174.6 | 173.3 | 0 | 0 | 0 | 0 | 0 | 113.6 | I1264 I1265 K1266 | G1156-I1264 PolarHBondContact N-O 3.12Å; G1156-I1265 CarbonylContact O-C 3.45Å; G1156-I1265 VanDerWaalsContact O-CA 3.28Å; G1156-I1265 WeakPolarHBondContact O-CA 3.29Å; G1156-K1266 PolarHBondContact O-N 3.22Å |
| 1157 | Y | 74.7 | Confident | 60.9 | Low | 149 Ų | 149 | 81.1 Ų | 81.1 | 58% | 0.584 | 43% | 0.434 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -137.9 | 146.6 | -170.1 | -62 | -99.4 | 0 | 0 | 0 | 111.5 | I1155 K1266 | I1155-Y1157 HydrophobicContact CG2-CE2 4.21Å; Y1157-K1266 HydrophobicContact CD1-CB 3.95Å; Y1157-K1266 HydrophobicContact CD1-CD 4.47Å; Y1157-K1266 HydrophobicContact CE1-CB 4.22Å; Y1157-K1266 HydrophobicContact CE1-CD 3.89Å |
| 1158 | V | 70.4 | Confident | 59.2 | Low | 9 Ų | 9 | 90.1 Ų | 90.1 | 6% | 0.055 | 46% | 0.46 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -146.7 | 119.2 | 174.8 | -179.1 | 0 | 0 | 0 | 0 | 109.3 | I1190 V1192 L1241 I1265 K1266 V1267 | V1158-I1190 HydrophobicContact CG1-CG2 4.43Å; V1158-V1192 HydrophobicContact CG2-CG2 4.29Å; V1158-L1241 HydrophobicContact CB-CD1 3.91Å; V1158-L1241 HydrophobicContact CG1-CD1 3.84Å; V1158-I1265 HydrophobicContact CG2-CG2 4Å; V1158-K1266 PolarHBondContact N-O 2.88Å; V1158-V1267 WeakPolarHBondContact O-CA 3.35Å |
| 1159 | T | 75.2 | Confident | 57.4 | Low | 65 Ų | 65 | 92.2 Ų | 92.2 | 40% | 0.399 | 48% | 0.476 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -60.1 | 146 | 173.7 | -41.5 | 0 | 0 | 0 | 0 | 111.3 | V1268 | T1159-V1268 HydrophobicContact CG2-CB 4.34Å |
| 1160 | E | 69.9 | Low | 55.6 | Low | 11 Ų | 11 | 97.1 Ų | 97.1 | 5% | 0.051 | 50% | 0.5 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -69.2 | 171.9 | 177.4 | 74.1 | -175.2 | 150.7 | 0 | 0 | 114 | L1162 L1241 R1243 V1267 V1268 D1269 V1270 | E1160-L1162 PolarHBondContact O-N 3.07Å; E1160-L1241 CarbonylContact C-O 3.56Å; E1160-L1241 WeakPolarHBondContact CA-O 3.37Å; E1160-L1241 WeakPolarHBondContact CB-O 3.24Å; E1160-R1243 VanDerWaalsContact OE2-CB 3.26Å; E1160-R1243 WeakPolarHBondContact OE2-CB 3.21Å; E1160-R1243 PolarHBondContact OE2-N 3.37Å; E1160-V1267 HydrophobicContact CB-CG1 3.69Å; E1160-V1268 VanDerWaalsContact CG-O 3.23Å; E1160-V1268 WeakPolarHBondContact CG-O 3.44Å; E1160-V1268 PolarHBondContact N-O 2.81Å; E1160-D1269 WeakPolarHBondContact OE1-CA 3.35Å; E1160-V1270 HydrophobicContact CG-CG2 4.46Å; E1160-V1270 PolarHBondContact OE1-N 2.74Å |
| 1161 | N | 67.5 | Low | 54.1 | Low | 109 Ų | 109 | 96.1 Ų | 96.1 | 58% | 0.583 | 51% | 0.505 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 55.2 | 7 | 179.4 | -71.5 | -61.3 | 0 | 0 | 0 | 115.5 | V1163 L1241 | N1161-V1163 PolarHBondContact O-N 2.96Å; N1161-L1241 PolarHBondContact N-O 3.37Å |
| 1162 | L | 64 | Low | 52.4 | Low | 81 Ų | 81 | 102.3 Ų | 102.3 | 42% | 0.424 | 52% | 0.516 | S | S | . | . | trans | -78 | 106.6 | 178.5 | -73.1 | -174.8 | 0 | 0 | 0 | 113 | E1160 P1164 I1190 | E1160-L1162 PolarHBondContact O-N 3.07Å; L1162-P1164 WeakPolarHBondContact O-CD 3.49Å; L1162-I1190 HydrophobicContact CB-CD1 4.24Å | ||
| 1163 | V | 58.1 | Low | 50.8 | Low | 77 Ų | 77 | 107.3 Ų | 107.3 | 47% | 0.467 | 54% | 0.536 | S | S | . | . | trans | -70.1 | 121.6 | 174.7 | -174.5 | 0 | 0 | 0 | 0 | 112 | N1161 K1165 E1240 | N1161-V1163 PolarHBondContact O-N 2.96Å; V1163-K1165 PolarHBondContact O-N 3.46Å; V1163-E1240 HydrophobicContact CB-CG 4.46Å; V1163-E1240 HydrophobicContact CG2-CG 4.16Å | ||
| 1164 | P | 53.9 | Low | 49 | Very low | 21 Ų | 21 | 110.8 Ų | 110.8 | 14% | 0.136 | 55% | 0.549 | C | S | . | . | trans | -60.2 | 129.6 | 171.7 | -21.5 | 31.6 | 0 | 0 | 0 | 112.1 | L1162 G1166 I1190 | L1162-P1164 WeakPolarHBondContact O-CD 3.49Å; P1164-G1166 PolarHBondContact O-N 2.77Å; P1164-I1190 HydrophobicContact CB-CD1 4.46Å; P1164-I1190 HydrophobicContact CB-CG1 4.32Å; P1164-I1190 HydrophobicContact CG-CD1 4.03Å; P1164-I1190 HydrophobicContact CG-CG1 4.36Å | ||
| 1165 | K | 43.7 | Very low | 46.7 | Very low | 190 Ų | 190 | 115 Ų | 115 | 83% | 0.826 | 57% | 0.574 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -63.6 | 101.7 | -176.1 | -72.4 | 177.9 | 179.8 | 170.8 | 0 | 111.3 | V1163 | V1163-K1165 PolarHBondContact O-N 3.46Š|
| 1166 | G | 38 | Very low | 44.5 | Very low | 78 Ų | 78 | 119.6 Ų | 119.6 | 80% | 0.804 | 59% | 0.59 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 163 | -19.8 | -177 | 0 | 0 | 0 | 0 | 0 | 113.5 | P1164 | P1164-G1166 PolarHBondContact O-N 2.77Š|
| 1167 | W | 32.4 | Very low | 42.4 | Very low | 198 Ų | 198 | 127 Ų | 127 | 75% | 0.75 | 63% | 0.627 | S | S | * | * | trans | -109.2 | 111.4 | 174.7 | -111.6 | 59.4 | 0 | 0 | 0 | 111.9 | ||||
| 1168 | R | 28 | Very low | 40.4 | Very low | 250 Ų | 250 | 125.5 Ų | 125.5 | 94% | 0.943 | 64% | 0.636 | S | S | * | * | trans | -150.9 | 115.9 | 155.9 | -69.3 | -163.9 | -174.6 | -160.4 | -0.8 | 108.8 | ||||
| 1169 | D | 27.6 | Very low | 38.1 | Very low | 147 Ų | 147 | 131.9 Ų | 131.9 | 79% | 0.786 | 68% | 0.675 | S | S | * | * | trans | -103.6 | 164 | 164.5 | -120.3 | -42.8 | 0 | 0 | 0 | 109.2 | ||||
| 1170 | E | 27.9 | Very low | 35.6 | Very low | 171 Ų | 171 | 138 Ų | 138 | 80% | 0.799 | 70% | 0.696 | S | S | * | * | S | Bend | trans | 66.4 | 130 | 176.7 | -57.4 | -145.1 | 114.8 | 0 | 0 | 119.9 | ||
| 1171 | V | 23.3 | Very low | 33.4 | Very low | 115 Ų | 115 | 143.3 Ų | 143.3 | 70% | 0.697 | 73% | 0.729 | S | S | * | * | 42 | 115.9 | 129.1 | -176.5 | 0 | 0 | 0 | 0 | 117.4 | |||||
| 1172 | K | 21.6 | Very low | 31.3 | Very low | 187 Ų | 187 | 144.5 Ų | 144.5 | 81% | 0.813 | 73% | 0.734 | S | S | * | * | cis | -166.7 | 115.2 | 14.6 | -127.8 | 173.9 | -165.3 | 165.7 | 0 | 109.5 | ||||
| 1173 | I | 22.2 | Very low | 29.5 | Very low | 170 Ų | 170 | 144.3 Ų | 144.3 | 87% | 0.872 | 75% | 0.752 | S | S | * | * | trans | -167.3 | 131.7 | 148.4 | -103.1 | 150.5 | 0 | 0 | 0 | 111.3 | ||||
| 1174 | L | 21.1 | Very low | 28 | Very low | 150 Ų | 150 | 148.3 Ų | 148.3 | 79% | 0.785 | 76% | 0.763 | S | S | * | * | trans | 1.9 | 101.3 | 165.1 | -58.9 | 167 | 0 | 0 | 0 | 121.4 | ||||
| 1175 | N | 21.5 | Very low | 27.1 | Very low | 135 Ų | 135 | 156.7 Ų | 156.7 | 72% | 0.722 | 80% | 0.801 | S | S | * | * | 33.6 | 145.5 | 121.9 | -58.7 | -26.5 | 0 | 0 | 0 | 123.7 | |||||
| 1176 | F | 23.8 | Very low | 26.6 | Very low | 193 Ų | 193 | 153.6 Ų | 153.6 | 85% | 0.846 | 79% | 0.793 | S | S | * | * | trans | 87.7 | 90.8 | 155.6 | -67.4 | -72.8 | 0 | 0 | 0 | 120.4 | ||||
| 1177 | I | 25.8 | Very low | 26.9 | Very low | 162 Ų | 162 | 156.3 Ų | 156.3 | 83% | 0.831 | 79% | 0.785 | S | S | * | * | 178.8 | 149.3 | 105.7 | -90.8 | 159.4 | 0 | 0 | 0 | 110 | |||||
| 1178 | P | 31.6 | Very low | 27.6 | Very low | 117 Ų | 117 | 152.9 Ų | 152.9 | 76% | 0.76 | 78% | 0.781 | S | S | * | * | trans | -118.2 | 141.7 | -167.9 | 38.8 | -27.4 | 0 | 0 | 0 | 117.3 | ||||
| 1179 | T | 23.9 | Very low | 29 | Very low | 142 Ų | 142 | 142.2 Ų | 142.2 | 87% | 0.871 | 75% | 0.749 | S | S | * | * | trans | -138.2 | 80.2 | 172.1 | 21.9 | 0 | 0 | 0 | 0 | 114.8 | ||||
| 1180 | K | 22.6 | Very low | 31.1 | Very low | 193 Ų | 193 | 137 Ų | 137 | 84% | 0.839 | 72% | 0.721 | S | S | * | * | trans | 24.8 | 102.3 | 133.4 | -169.5 | -174.2 | 179.2 | -172.5 | 0 | 119.9 | ||||
| 1181 | T | 23.4 | Very low | 33.1 | Very low | 124 Ų | 124 | 134.8 Ų | 134.8 | 76% | 0.761 | 71% | 0.706 | S | S | * | * | trans | 40.1 | 111 | 130.5 | -44.7 | 0 | 0 | 0 | 0 | 120.6 | ||||
| 1182 | I | 22.8 | Very low | 35.2 | Very low | 133 Ų | 133 | 130.1 Ų | 130.1 | 68% | 0.682 | 68% | 0.678 | S | S | * | * | -164.6 | 159 | 128.5 | -98.5 | 151 | 0 | 0 | 0 | 107.5 | F1184 | I1182-F1184 HydrophobicContact CB-CE2 4.07Å; I1182-F1184 HydrophobicContact CG2-CD2 4.13Å; I1182-F1184 HydrophobicContact CG2-CE2 3.68Å; I1182-F1184 HydrophobicContact CG2-CZ 4.03Å; I1182-F1184 WeakPolarHBondContact O-CD2 3.48Å | |||
| 1183 | G | 26.8 | Very low | 37.5 | Very low | 77 Ų | 77 | 122 Ų | 122 | 79% | 0.794 | 64% | 0.643 | S | S | * | * | trans | -83.3 | 134.2 | 174.3 | 0 | 0 | 0 | 0 | 0 | 111 | ||||
| 1184 | F | 26.6 | Very low | 40 | Very low | 162 Ų | 162 | 117 Ų | 117 | 71% | 0.711 | 62% | 0.62 | S | S | * | * | trans | -120.3 | 127 | -178.4 | -77.7 | -90.6 | 0 | 0 | 0 | 111.7 | I1182 D1186 | I1182-F1184 HydrophobicContact CB-CE2 4.07Å; I1182-F1184 HydrophobicContact CG2-CD2 4.13Å; I1182-F1184 HydrophobicContact CG2-CE2 3.68Å; I1182-F1184 HydrophobicContact CG2-CZ 4.03Å; I1182-F1184 WeakPolarHBondContact O-CD2 3.48Å; F1184-D1186 PolarHBondContact O-N 3.2Å | ||
| 1185 | E | 34.7 | Very low | 42.3 | Very low | 197 Ų | 197 | 110.8 Ų | 110.8 | 92% | 0.921 | 59% | 0.588 | S | S | * | * | trans | -85.7 | 85.4 | 156 | -63.3 | 169.3 | 122.1 | 0 | 0 | 106.5 | ||||
| 1186 | D | 32.4 | Very low | 44.8 | Very low | 125 Ų | 125 | 108.1 Ų | 108.1 | 67% | 0.668 | 58% | 0.58 | S | S | * | * | trans | -159 | 161.4 | 175.2 | -97.1 | -37.5 | 0 | 0 | 0 | 114.1 | F1184 N1188 | F1184-D1186 PolarHBondContact O-N 3.2Å; D1186-N1188 PolarHBondContact O-N 3.11Å | ||
| 1187 | E | 44.6 | Very low | 46.9 | Very low | 134 Ų | 134 | 100.1 Ų | 100.1 | 63% | 0.626 | 55% | 0.549 | S | S | * | . | trans | -42.8 | 110.8 | -170.8 | -53.4 | 179.3 | 138.1 | 0 | 0 | 117.3 | ||||
| 1188 | N | 47 | Very low | 48.9 | Very low | 126 Ų | 126 | 95.5 Ų | 95.5 | 67% | 0.674 | 53% | 0.528 | S | S | * | . | trans | -153.6 | 93 | 159 | -88.8 | -75.4 | 0 | 0 | 0 | 111.5 | D1186 M1238 | D1186-N1188 PolarHBondContact O-N 3.11Å; N1188-M1238 WeakPolarHBondContact O-CE 3.3Å | ||
| 1189 | G | 58.8 | Low | 50.6 | Low | 26 Ų | 26 | 91.5 Ų | 91.5 | 27% | 0.268 | 50% | 0.501 | S | S | . | . | S | Bend | trans | -160.9 | 166.2 | 173.6 | 0 | 0 | 0 | 0 | 0 | 110.1 | Y1191 | G1189-Y1191 PolarHBondContact O-N 3.41Š|
| 1190 | I | 70.7 | Confident | 52.6 | Low | 38 Ų | 38 | 90.2 Ų | 90.2 | 20% | 0.195 | 49% | 0.489 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -73.1 | 123.8 | 177.2 | -57.2 | 175.5 | 0 | 0 | 0 | 108 | V1158 L1162 P1164 F1236 A1237 | V1158-I1190 HydrophobicContact CG1-CG2 4.43Å; L1162-I1190 HydrophobicContact CB-CD1 4.24Å; P1164-I1190 HydrophobicContact CB-CD1 4.46Å; P1164-I1190 HydrophobicContact CB-CG1 4.32Å; P1164-I1190 HydrophobicContact CG-CD1 4.03Å; P1164-I1190 HydrophobicContact CG-CG1 4.36Å; I1190-F1236 CarbonylContact O-C 3.56Å; I1190-F1236 WeakPolarHBondContact O-CA 3.47Å; I1190-A1237 HydrophobicContact CB-CB 4.38Å; I1190-A1237 PolarHBondContact N-O 2.95Å; I1190-A1237 PolarHBondContact O-N 2.68Å |
| 1191 | Y | 69.8 | Low | 54.6 | Low | 124 Ų | 124 | 82.2 Ų | 82.2 | 49% | 0.486 | 46% | 0.455 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -68.6 | 150.8 | -180 | 169.3 | -99.4 | 0 | 0 | 0 | 112.2 | G1189 M1193 T1194 K1234 F1236 | G1189-Y1191 PolarHBondContact O-N 3.41Å; Y1191-M1193 WeakPolarHBondContact CE2-O 3.45Å; Y1191-M1193 WeakPolarHBondContact OH-CA 3.24Å; Y1191-T1194 PolarHBondContact OH-OG1 2.84Å; Y1191-K1234 HydrophobicContact CE2-CG 4.42Å; Y1191-F1236 HydrophobicContact CD2-CE1 4.28Å |
| 1192 | V | 67.7 | Low | 56.5 | Low | 17 Ų | 17 | 79 Ų | 79 | 10% | 0.103 | 43% | 0.433 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.1 | -59.7 | -178.9 | -172.4 | 0 | 0 | 0 | 0 | 114.7 | V1158 L1235 A1237 I1265 | V1158-V1192 HydrophobicContact CG2-CG2 4.29Å; V1192-L1235 HydrophobicContact CB-CB 4.45Å; V1192-L1235 HydrophobicContact CB-CD2 4.07Å; V1192-L1235 HydrophobicContact CB-CG 4.49Å; V1192-L1235 HydrophobicContact CG1-CD2 4.14Å; V1192-L1235 PolarHBondContact N-O 2.94Å; V1192-A1237 HydrophobicContact CG2-CB 4Å; V1192-I1265 HydrophobicContact CG1-CD1 3.74Å; V1192-I1265 HydrophobicContact CG1-CG1 3.86Å; V1192-I1265 HydrophobicContact CG2-CD1 4.33Å |
| 1193 | M | 70 | Confident | 58.2 | Low | 16 Ų | 16 | 78.5 Ų | 78.5 | 8% | 0.079 | 44% | 0.438 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -161.4 | 178.7 | -170.1 | 64.6 | 174 | 73.3 | 0 | 0 | 114.5 | F1154 Y1191 K1234 L1235 A1263 I1265 | F1154-M1193 HydrophobicContact CB-SD 4.11Å; Y1191-M1193 WeakPolarHBondContact CE2-O 3.45Å; Y1191-M1193 WeakPolarHBondContact OH-CA 3.24Å; M1193-K1234 CarbonylContact O-C 3.46Å; M1193-K1234 WeakPolarHBondContact O-CA 3.48Å; M1193-L1235 HydrophobicContact CE-CD2 4.25Å; M1193-L1235 HydrophobicContact CG-CB 3.71Å; M1193-L1235 HydrophobicContact CG-CD2 3.7Å; M1193-L1235 HydrophobicContact CG-CG 4.35Å; M1193-L1235 PolarHBondContact O-N 3.12Å; M1193-L1235 HydrophobicContact SD-CD2 4.05Å; M1193-A1263 HydrophobicContact CE-CB 4.24Å; M1193-A1263 HydrophobicContact SD-CB 3.91Å; M1193-I1265 HydrophobicContact CE-CG1 4.23Å |
| 1194 | T | 75.2 | Confident | 59.7 | Low | 66 Ų | 66 | 83.1 Ų | 83.1 | 41% | 0.405 | 44% | 0.437 | S | S | . | . | trans | -147.9 | 160.3 | 179.8 | -50.8 | 0 | 0 | 0 | 0 | 111.7 | Y1191 T1232 K1234 | Y1191-T1194 PolarHBondContact OH-OG1 2.84Å; T1194-T1232 WeakPolarHBondContact CG2-O 3.42Å; T1194-K1234 HydrophobicContact CG2-CG 4.1Å; T1194-K1234 WeakPolarHBondContact OG1-CG 3.04Å | ||
| 1195 | L | 69.1 | Low | 61 | Low | 19 Ų | 19 | 78.7 Ų | 78.7 | 10% | 0.099 | 42% | 0.423 | C | S | . | . | trans | -143.8 | 153.4 | -163.4 | -56.3 | 169.1 | 0 | 0 | 0 | 115.8 | F1154 I1228 I1253 | F1154-L1195 HydrophobicContact CB-CD2 3.95Å; F1154-L1195 HydrophobicContact CD1-CD2 3.62Å; F1154-L1195 HydrophobicContact CD2-CD2 3.46Å; F1154-L1195 VanDerWaalsContact CD2-CD2 3.46Å; F1154-L1195 HydrophobicContact CE1-CD2 3.91Å; F1154-L1195 HydrophobicContact CE2-CD2 3.78Å; F1154-L1195 HydrophobicContact CG-CD2 3.38Å; F1154-L1195 HydrophobicContact CZ-CD2 3.99Å; L1195-I1228 HydrophobicContact CD1-CD1 3.96Å; L1195-I1253 HydrophobicContact CD1-CD1 3.81Å; L1195-I1253 HydrophobicContact CD1-CG2 4.23Å | ||
| 1196 | S | 72.9 | Confident | 61.9 | Low | 80 Ų | 80 | 77.6 Ų | 77.6 | 56% | 0.559 | 42% | 0.423 | S | S | * | . | trans | -157.2 | 174.2 | -173.7 | 64.6 | 0 | 0 | 0 | 0 | 119.1 | F1149 Y1212 | F1149-S1196 WeakPolarHBondContact CD1-O 3.48Å; F1149-S1196 WeakPolarHBondContact CE1-O 3.33Å; S1196-Y1212 WeakPolarHBondContact CA-OH 3.2Å | ||
| 1197 | A | 68.6 | Low | 62.8 | Low | 24 Ų | 24 | 75.6 Ų | 75.6 | 20% | 0.198 | 41% | 0.412 | C | S | . | . | trans | -159.5 | 177.3 | -175.8 | 0 | 0 | 0 | 0 | 0 | 116.4 | F1149 L1210 | F1149-A1197 HydrophobicContact CD1-CB 3.71Å; F1149-A1197 HydrophobicContact CE1-CB 4.04Å; F1149-A1197 HydrophobicContact CG-CB 4.08Å; A1197-L1210 HydrophobicContact CB-CD1 3.56Å | ||
| 1198 | T | 67.8 | Low | 63.5 | Low | 65 Ų | 65 | 72.1 Ų | 72.1 | 40% | 0.399 | 41% | 0.406 | S | S | . | . | B | Isolated β-bridge | trans | -149.6 | 165.7 | -161.1 | -45.5 | 0 | 0 | 0 | 0 | 117.6 | P1147 F1148 | P1147-T1198 CarbonylContact C-O 3.55Å; P1147-T1198 VanDerWaalsContact CA-O 3.31Å; P1147-T1198 WeakPolarHBondContact CA-O 3.36Å; P1147-T1198 WeakPolarHBondContact CB-O 3.28Å; F1148-T1198 PolarHBondContact N-O 3.09Å; F1148-T1198 PolarHBondContact O-N 2.76Å |
| 1199 | D | 66.6 | Low | 63.7 | Low | 33 Ų | 33 | 75.7 Ų | 75.7 | 18% | 0.176 | 42% | 0.415 | C | S | . | . | trans | -147.1 | 174.2 | 179.9 | -148.8 | -27.9 | 0 | 0 | 0 | 113.5 | P1147 A1208 | P1147-D1199 HydrophobicContact CB-CB 3.79Å; P1147-D1199 VanDerWaalsContact CB-CG 3.42Å; P1147-D1199 VanDerWaalsContact CB-OD2 3.32Å; P1147-D1199 WeakPolarHBondContact CB-OD2 3.38Å; P1147-D1199 WeakPolarHBondContact CD-OD2 3.43Å; P1147-D1199 WeakPolarHBondContact CG-OD2 3.44Å; D1199-A1208 HydrophobicContact CB-CB 3.4Å; D1199-A1208 VanDerWaalsContact CB-CB 3.4Å; D1199-A1208 WeakPolarHBondContact OD2-CA 3.43Å; D1199-A1208 VanDerWaalsContact OD2-CB 3.28Å; D1199-A1208 WeakPolarHBondContact OD2-CB 3.44Å | ||
| 1200 | N | 67 | Low | 64 | Low | 116 Ų | 116 | 77.5 Ų | 77.5 | 62% | 0.62 | 42% | 0.419 | S | S | * | . | trans | -129.4 | -23.2 | -164.1 | -104.3 | 41.2 | 0 | 0 | 0 | 120.6 | N1145 | N1145-N1200 HydrophobicContact CB-CB 4.34Š| ||
| 1201 | D | 64.2 | Low | 63.1 | Low | 25 Ų | 25 | 80.1 Ų | 80.1 | 13% | 0.134 | 44% | 0.437 | C | S | . | . | S | Bend | trans | -67.3 | 165.9 | 176.7 | -80 | -26.6 | 0 | 0 | 0 | 112 | N1143 N1145 P1203 N1207 | N1143-D1201 VanDerWaalsContact CG-OD2 3.29Å; N1143-D1201 PolarHBondContact ND2-OD2 2.85Å; N1143-D1201 VanDerWaalsContact OD1-CG 3.26Å; N1143-D1201 PolarHBondContact OD1-OD2 3.08Å; N1145-D1201 VanDerWaalsContact CB-OD1 3.28Å; N1145-D1201 WeakPolarHBondContact CB-OD1 3.15Å; N1145-D1201 PolarHBondContact N-OD1 2.81Å; N1145-D1201 PolarHBondContact N-OD2 3.02Å; N1145-D1201 PolarHBondContact ND2-OD1 2.7Å; D1201-P1203 VanDerWaalsContact O-CD 3.24Å; D1201-P1203 WeakPolarHBondContact O-CD 3.39Å; D1201-N1207 HydrophobicContact CB-CB 4.22Å |
| 1202 | D | 63.6 | Low | 63.4 | Low | 56 Ų | 56 | 75.9 Ų | 75.9 | 30% | 0.299 | 42% | 0.42 | S | S | . | . | trans | -51 | 112.3 | -176.7 | -179.9 | 6.3 | 0 | 0 | 0 | 111.8 | K1204 T1205 | D1202-K1204 PolarHBondContact O-N 2.87Å; D1202-K1204 WeakPolarHBondContact OD1-CB 3.48Å; D1202-K1204 VanDerWaalsContact OD1-CG 3.3Å; D1202-K1204 WeakPolarHBondContact OD1-CG 3.35Å; D1202-K1204 PolarHBondContact OD1-N 3.19Å; D1202-K1204 IonicContact OD1-NZ 3.41Å; D1202-K1204 PolarHBondContact OD1-NZ 2.83Å; D1202-K1204 IonicContact OD2-NZ 2.81Å; D1202-K1204 PolarHBondContact OD2-NZ 3.4Å; D1202-T1205 HydrophobicContact CB-CG2 4.32Å; D1202-T1205 WeakPolarHBondContact O-CB 3.48Å; D1202-T1205 PolarHBondContact O-N 3.42Å; D1202-T1205 PolarHBondContact O-OG1 2.8Å | ||
| 1203 | P | 58.3 | Low | 63.4 | Low | 122 Ų | 122 | 76.9 Ų | 76.9 | 79% | 0.792 | 43% | 0.428 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -69.9 | -1.6 | -174.3 | 28.9 | -37 | 0 | 0 | 0 | 113.9 | D1201 | D1201-P1203 VanDerWaalsContact O-CD 3.24Å; D1201-P1203 WeakPolarHBondContact O-CD 3.39Å |
| 1204 | K | 57.6 | Low | 63.4 | Low | 175 Ų | 175 | 78.2 Ų | 78.2 | 76% | 0.761 | 44% | 0.435 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -74.5 | -11.8 | 166.8 | -57.5 | 178.5 | -141.6 | 75.4 | 0 | 112.5 | D1202 | D1202-K1204 PolarHBondContact O-N 2.87Å; D1202-K1204 WeakPolarHBondContact OD1-CB 3.48Å; D1202-K1204 VanDerWaalsContact OD1-CG 3.3Å; D1202-K1204 WeakPolarHBondContact OD1-CG 3.35Å; D1202-K1204 PolarHBondContact OD1-N 3.19Å; D1202-K1204 IonicContact OD1-NZ 3.41Å; D1202-K1204 PolarHBondContact OD1-NZ 2.83Å; D1202-K1204 IonicContact OD2-NZ 2.81Å; D1202-K1204 PolarHBondContact OD2-NZ 3.4Å |
| 1205 | T | 54.2 | Low | 62.7 | Low | 68 Ų | 68 | 79.2 Ų | 79.2 | 42% | 0.417 | 44% | 0.437 | S | S | . | . | S | Bend | trans | -101.1 | -173.1 | 179.9 | 74.2 | 0 | 0 | 0 | 0 | 112 | D1202 N1207 | D1202-T1205 HydrophobicContact CB-CG2 4.32Å; D1202-T1205 WeakPolarHBondContact O-CB 3.48Å; D1202-T1205 PolarHBondContact O-N 3.42Å; D1202-T1205 PolarHBondContact O-OG1 2.8Å; T1205-N1207 PolarHBondContact O-N 2.63Å; T1205-N1207 PolarHBondContact OG1-ND2 3.41Å |
| 1206 | L | 53 | Low | 62.5 | Low | 175 Ų | 175 | 86 Ų | 86 | 92% | 0.916 | 46% | 0.461 | S | S | * | . | S | Bend | trans | -91.1 | 11.7 | -171.7 | -94.3 | 171.8 | 0 | 0 | 0 | 114.6 | A1208 | L1206-A1208 PolarHBondContact O-N 3.48Š|
| 1207 | N | 51.1 | Low | 61.9 | Low | 82 Ų | 82 | 84.2 Ų | 84.2 | 44% | 0.439 | 45% | 0.446 | S | S | . | . | trans | -91.9 | 4.8 | -148.6 | -60.9 | -3 | 0 | 0 | 0 | 115.7 | N1143 D1201 T1205 | N1143-N1207 PolarHBondContact OD1-ND2 2.95Å; D1201-N1207 HydrophobicContact CB-CB 4.22Å; T1205-N1207 PolarHBondContact O-N 2.63Å; T1205-N1207 PolarHBondContact OG1-ND2 3.41Å | ||
| 1208 | A | 60.6 | Low | 61.7 | Low | 61 Ų | 61 | 87.7 Ų | 87.7 | 50% | 0.504 | 46% | 0.456 | S | S | . | . | trans | -142.6 | 122.5 | -173.3 | 0 | 0 | 0 | 0 | 0 | 116.5 | D1199 L1206 | D1199-A1208 HydrophobicContact CB-CB 3.4Å; D1199-A1208 VanDerWaalsContact CB-CB 3.4Å; D1199-A1208 WeakPolarHBondContact OD2-CA 3.43Å; D1199-A1208 VanDerWaalsContact OD2-CB 3.28Å; D1199-A1208 WeakPolarHBondContact OD2-CB 3.44Å; L1206-A1208 PolarHBondContact O-N 3.48Å | ||
| 1209 | K | 50.7 | Low | 61.1 | Low | 201 Ų | 201 | 91.6 Ų | 91.6 | 87% | 0.874 | 47% | 0.465 | S | S | * | . | trans | -169.7 | 148.4 | 175.7 | -163.4 | 165.8 | 178 | 172.2 | 0 | 117 | ||||
| 1210 | L | 65 | Low | 60.3 | Low | 65 Ų | 65 | 94.1 Ų | 94.1 | 34% | 0.34 | 48% | 0.478 | S | S | . | . | trans | -143.6 | 168.2 | -161.1 | -52 | 172.5 | 0 | 0 | 0 | 118.2 | P1147 A1197 | P1147-L1210 HydrophobicContact CB-CD2 4.48Å; A1197-L1210 HydrophobicContact CB-CD1 3.56Å | ||
| 1211 | T | 52.6 | Low | 59.3 | Low | 92 Ų | 92 | 96.3 Ų | 96.3 | 56% | 0.564 | 49% | 0.49 | S | S | * | . | trans | -163.2 | 156.4 | 179.1 | 55.2 | 0 | 0 | 0 | 0 | 116.9 | I1255 | T1211-I1255 VanDerWaalsContact O-CG1 3.25Å; T1211-I1255 WeakPolarHBondContact O-CG1 3.2Å; T1211-I1255 WeakPolarHBondContact O-CG2 3.34Å | ||
| 1212 | Y | 74.9 | Confident | 58.3 | Low | 36 Ų | 36 | 98.4 Ų | 98.4 | 14% | 0.141 | 52% | 0.517 | C | S | . | . | trans | -131.5 | 164.9 | -166 | -43.4 | -84.4 | 0 | 0 | 0 | 120.3 | F1149 S1196 S1230 I1255 | F1149-Y1212 HydrophobicContact CE1-CE1 4.2Å; F1149-Y1212 HydrophobicContact CZ-CD1 4.18Å; F1149-Y1212 HydrophobicContact CZ-CE1 4.18Å; S1196-Y1212 WeakPolarHBondContact CA-OH 3.2Å; Y1212-S1230 PolarHBondContact N-O 2.92Å; Y1212-S1230 VanDerWaalsContact O-CA 3.31Å; Y1212-S1230 WeakPolarHBondContact O-CA 3.46Å; Y1212-S1230 WeakPolarHBondContact O-CB 3.17Å; Y1212-I1255 HydrophobicContact CD1-CD1 3.76Å; Y1212-I1255 HydrophobicContact CD1-CG1 3.83Å; Y1212-I1255 HydrophobicContact CE1-CD1 3.77Å; Y1212-I1255 HydrophobicContact CE1-CG1 4.36Å | ||
| 1213 | S | 67.5 | Low | 57.6 | Low | 38 Ų | 38 | 104.4 Ų | 104.4 | 27% | 0.266 | 54% | 0.535 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -162.2 | 171.7 | 162.8 | 82 | 0 | 0 | 0 | 0 | 116.9 | I1253 E1254 | S1213-I1253 WeakPolarHBondContact O-CG2 3.47Å; S1213-E1254 PolarHBondContact N-O 2.85Å; S1213-E1254 PolarHBondContact O-N 2.83Å; S1213-E1254 VanDerWaalsContact OG-CG 3.3Å; S1213-E1254 WeakPolarHBondContact OG-CG 3.43Å |
| 1214 | I | 70.2 | Confident | 57.6 | Low | 43 Ų | 43 | 101.2 Ų | 101.2 | 22% | 0.221 | 52% | 0.515 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.9 | 139.3 | 174.4 | -91.9 | 172.9 | 0 | 0 | 0 | 112 | I1228 L1235 I1253 | I1214-I1228 HydrophobicContact CB-CG2 3.89Å; I1214-I1228 HydrophobicContact CD1-CB 3.62Å; I1214-I1228 HydrophobicContact CD1-CG2 3.81Å; I1214-I1228 HydrophobicContact CG1-CB 3.83Å; I1214-I1228 HydrophobicContact CG1-CD1 4.29Å; I1214-I1228 HydrophobicContact CG1-CG2 3.61Å; I1214-L1235 HydrophobicContact CD1-CD1 3.8Å; I1214-I1253 HydrophobicContact CG1-CG1 4.35Å |
| 1215 | L | 61.1 | Low | 58.1 | Low | 87 Ų | 87 | 93.1 Ų | 93.1 | 46% | 0.455 | 48% | 0.48 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.4 | -44.2 | -179.9 | -170.1 | 69.3 | 0 | 0 | 0 | 113.9 | E1252 T1260 | L1215-E1252 HydrophobicContact CB-CB 4.15Å; L1215-E1252 HydrophobicContact CD2-CB 4.34Å; L1215-E1252 PolarHBondContact N-O 3.33Å; L1215-T1260 HydrophobicContact CD2-CG2 4.22Å |
| 1216 | R | 65.5 | Low | 59.3 | Low | 162 Ų | 162 | 90.1 Ų | 90.1 | 61% | 0.611 | 46% | 0.461 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -147.1 | 126.7 | -170.7 | -164.7 | -179.6 | -179.6 | -167.8 | -0.2 | 112.2 | F1251 E1252 | R1216-F1251 VanDerWaalsContact O-CB 3.3Å; R1216-F1251 WeakPolarHBondContact O-CB 3.45Å; R1216-E1252 HydrophobicContact CB-CB 3.94Å; R1216-E1252 HydrophobicContact CB-CG 4.28Å; R1216-E1252 WeakPolarHBondContact CB-OE2 3.49Å; R1216-E1252 VanDerWaalsContact CD-CD 3.45Å; R1216-E1252 WeakPolarHBondContact CD-OE1 3.49Å; R1216-E1252 WeakPolarHBondContact CD-OE2 3.2Å; R1216-E1252 IonicContact CZ-OE1 3.82Å; R1216-E1252 PolarHBondContact N-O 3.21Å; R1216-E1252 IonicContact NH1-OE1 2.82Å; R1216-E1252 PolarHBondContact NH1-OE1 3.49Å; R1216-E1252 PolarHBondContact O-N 2.79Å |
| 1217 | N | 60.6 | Low | 60.2 | Low | 43 Ų | 43 | 89.2 Ų | 89.2 | 23% | 0.23 | 45% | 0.446 | C | S | . | . | trans | -122.9 | 147.3 | -169.2 | -162.7 | -16.2 | 0 | 0 | 0 | 112.2 | Y1219 F1226 | N1217-Y1219 HydrophobicContact CB-CE2 4.25Å; N1217-Y1219 WeakPolarHBondContact O-CD2 3.2Å; N1217-Y1219 WeakPolarHBondContact O-CE2 3.32Å; N1217-F1226 PolarHBondContact ND2-O 3.14Å | ||
| 1218 | K | 64.6 | Low | 61.3 | Low | 96 Ų | 96 | 86.3 Ų | 86.3 | 42% | 0.417 | 43% | 0.43 | S | S | . | . | trans | -88.4 | 141.1 | 178.6 | -165.9 | 166 | -176.6 | 173.1 | 0 | 109.7 | V1225 K1249 | K1218-V1225 VanDerWaalsContact O-CG2 3.28Å; K1218-V1225 WeakPolarHBondContact O-CG2 3.38Å; K1218-V1225 PolarHBondContact O-N 3.01Å; K1218-K1249 HydrophobicContact CD-CB 4.31Å | ||
| 1219 | Y | 54 | Low | 61.6 | Low | 147 Ų | 147 | 85.9 Ų | 85.9 | 58% | 0.576 | 42% | 0.419 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -122.1 | 138.6 | -177.5 | -70.7 | -110.1 | 0 | 0 | 0 | 111.1 | N1217 R1223 P1224 | N1217-Y1219 HydrophobicContact CB-CE2 4.25Å; N1217-Y1219 WeakPolarHBondContact O-CD2 3.2Å; N1217-Y1219 WeakPolarHBondContact O-CE2 3.32Å; Y1219-R1223 CarbonylContact C-O 3.5Å; Y1219-R1223 WeakPolarHBondContact CA-O 3.47Å; Y1219-R1223 VanDerWaalsContact CD1-C 3.42Å; Y1219-P1224 HydrophobicContact CD1-CB 4.15Å; Y1219-P1224 VanDerWaalsContact CD1-N 3.34Å; Y1219-P1224 HydrophobicContact CE1-CB 3.82Å; Y1219-P1224 HydrophobicContact CE1-CG 4.19Å |
| 1220 | L | 50.4 | Low | 62.2 | Low | 87 Ų | 87 | 79.4 Ų | 79.4 | 46% | 0.455 | 40% | 0.399 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.4 | 134.8 | 171.6 | -160.9 | 72.7 | 0 | 0 | 0 | 109 | G1222 R1223 V1225 M1239 | L1220-G1222 PolarHBondContact O-N 3.29Å; L1220-R1223 PolarHBondContact N-O 2.87Å; L1220-R1223 PolarHBondContact O-N 3.27Å; L1220-V1225 HydrophobicContact CB-CG2 4.3Å; L1220-M1239 HydrophobicContact CB-CE 4.05Å; L1220-M1239 HydrophobicContact CB-SD 3.65Å; L1220-M1239 HydrophobicContact CD2-SD 3.63Å; L1220-M1239 HydrophobicContact CG-SD 4.28Å |
| 1221 | N | 45.4 | Very low | 61.8 | Low | 162 Ų | 162 | 84.6 Ų | 84.6 | 87% | 0.866 | 42% | 0.422 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 46.7 | 34.6 | -176 | -66 | -25.5 | 0 | 0 | 0 | 114.3 | ||
| 1222 | G | 44.5 | Very low | 62.9 | Low | 69 Ų | 69 | 83.1 Ų | 83.1 | 71% | 0.711 | 41% | 0.413 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 80.7 | 6.5 | 179.9 | 0 | 0 | 0 | 0 | 0 | 116 | L1220 | L1220-G1222 PolarHBondContact O-N 3.29Š|
| 1223 | R | 48.9 | Very low | 62.8 | Low | 181 Ų | 181 | 81.4 Ų | 81.4 | 68% | 0.683 | 41% | 0.406 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -116.1 | 142 | 178.6 | -61.4 | -176.3 | -178.6 | -176.3 | 1.8 | 111.5 | Y1219 L1220 | Y1219-R1223 CarbonylContact C-O 3.5Å; Y1219-R1223 WeakPolarHBondContact CA-O 3.47Å; Y1219-R1223 VanDerWaalsContact CD1-C 3.42Å; L1220-R1223 PolarHBondContact N-O 2.87Å; L1220-R1223 PolarHBondContact O-N 3.27Å |
| 1224 | P | 58.1 | Low | 63.1 | Low | 56 Ų | 56 | 83.7 Ų | 83.7 | 36% | 0.364 | 41% | 0.411 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -68.9 | 146.6 | 177.6 | 29.7 | -34 | 0 | 0 | 0 | 110.7 | Y1219 | Y1219-P1224 HydrophobicContact CD1-CB 4.15Å; Y1219-P1224 VanDerWaalsContact CD1-N 3.34Å; Y1219-P1224 HydrophobicContact CE1-CB 3.82Å; Y1219-P1224 HydrophobicContact CE1-CG 4.19Å |
| 1225 | V | 67.5 | Low | 63.3 | Low | 5 Ų | 5 | 81.8 Ų | 81.8 | 3% | 0.03 | 40% | 0.402 | C | S | . | . | S | Bend | trans | -88.4 | -31.2 | -175.2 | -174.4 | 0 | 0 | 0 | 0 | 112 | K1218 L1220 A1237 M1238 M1239 | K1218-V1225 VanDerWaalsContact O-CG2 3.28Å; K1218-V1225 WeakPolarHBondContact O-CG2 3.38Å; K1218-V1225 PolarHBondContact O-N 3.01Å; L1220-V1225 HydrophobicContact CB-CG2 4.3Å; V1225-A1237 WeakPolarHBondContact O-CA 3.39Å; V1225-M1238 WeakPolarHBondContact O-CB 3.38Å; V1225-M1238 WeakPolarHBondContact O-CG 3.45Å; V1225-M1238 PolarHBondContact O-N 3.4Å; V1225-M1239 HydrophobicContact CB-CE 4.38Å; V1225-M1239 HydrophobicContact CB-SD 4.47Å; V1225-M1239 HydrophobicContact CG1-CG 4.14Å; V1225-M1239 HydrophobicContact CG1-SD 4.16Å; V1225-M1239 HydrophobicContact CG2-CE 3.91Å; V1225-M1239 HydrophobicContact CG2-SD 3.87Å |
| 1226 | F | 78.8 | Confident | 63.9 | Low | 5 Ų | 5 | 79.3 Ų | 79.3 | 2% | 0.022 | 39% | 0.387 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.3 | 165.9 | -172.8 | -51.8 | -73.8 | 0 | 0 | 0 | 114.5 | N1217 F1236 A1237 K1249 F1251 I1265 | N1217-F1226 PolarHBondContact ND2-O 3.14Å; F1226-F1236 CarbonylContact C-O 3.52Å; F1226-F1236 WeakPolarHBondContact CA-O 3.49Å; F1226-F1236 WeakPolarHBondContact CB-O 3.48Å; F1226-A1237 HydrophobicContact CD1-CB 3.57Å; F1226-A1237 HydrophobicContact CE1-CB 3.53Å; F1226-K1249 HydrophobicContact CE2-CB 4.5Å; F1226-F1251 HydrophobicContact CD2-CD1 4.09Å; F1226-F1251 HydrophobicContact CD2-CE1 4.29Å; F1226-F1251 HydrophobicContact CE2-CD1 4.35Å; F1226-F1251 HydrophobicContact CE2-CE1 4.48Å; F1226-I1265 HydrophobicContact CD1-CD1 3.68Å; F1226-I1265 HydrophobicContact CD2-CD1 4.47Å; F1226-I1265 HydrophobicContact CE1-CD1 3.26Å; F1226-I1265 HydrophobicContact CE2-CD1 4.1Å; F1226-I1265 HydrophobicContact CG-CD1 4.29Å; F1226-I1265 HydrophobicContact CZ-CD1 3.49Å; F1226-I1265 VanDerWaalsContact CZ-CD1 3.49Å |
| 1227 | R | 73 | Confident | 64.3 | Low | 155 Ų | 155 | 71.7 Ų | 71.7 | 59% | 0.585 | 36% | 0.359 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -149.9 | 148.1 | 176.9 | 165.8 | -179.6 | 152.7 | 99.9 | -0.9 | 111.9 | L1235 F1236 | R1227-L1235 CarbonylContact O-C 3.45Å; R1227-L1235 WeakPolarHBondContact O-CA 3.42Å; R1227-L1235 WeakPolarHBondContact O-CD1 3.29Å; R1227-F1236 PolarHBondContact N-O 2.8Å; R1227-F1236 PolarHBondContact O-N 2.7Å |
| 1228 | I | 74.5 | Confident | 64.4 | Low | 22 Ų | 22 | 73.8 Ų | 73.8 | 11% | 0.113 | 37% | 0.368 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.3 | 159.5 | 174.9 | -155.9 | 174 | 0 | 0 | 0 | 113.8 | L1195 I1214 K1234 L1235 I1253 | L1195-I1228 HydrophobicContact CD1-CD1 3.96Å; I1214-I1228 HydrophobicContact CB-CG2 3.89Å; I1214-I1228 HydrophobicContact CD1-CB 3.62Å; I1214-I1228 HydrophobicContact CD1-CG2 3.81Å; I1214-I1228 HydrophobicContact CG1-CB 3.83Å; I1214-I1228 HydrophobicContact CG1-CD1 4.29Å; I1214-I1228 HydrophobicContact CG1-CG2 3.61Å; I1228-K1234 CarbonylContact C-O 3.54Å; I1228-K1234 WeakPolarHBondContact CA-O 3.46Å; I1228-K1234 WeakPolarHBondContact CG1-O 3.21Å; I1228-L1235 HydrophobicContact CB-CD1 4.24Å; I1228-I1253 HydrophobicContact CD1-CG2 4.48Å |
| 1229 | D | 65.3 | Low | 64.4 | Low | 51 Ų | 51 | 71 Ų | 71 | 27% | 0.273 | 36% | 0.357 | S | S | . | . | trans | -97.5 | 131.4 | 160.7 | 171.7 | 8 | 0 | 0 | 0 | 111.7 | Q1231 T1232 G1233 K1234 | D1229-Q1231 PolarHBondContact OD1-N 2.76Å; D1229-T1232 VanDerWaalsContact CG-OG1 3.3Å; D1229-T1232 WeakPolarHBondContact OD2-CB 3.23Å; D1229-T1232 VanDerWaalsContact OD2-CG2 3.25Å; D1229-T1232 WeakPolarHBondContact OD2-CG2 3.5Å; D1229-T1232 PolarHBondContact OD2-N 3.29Å; D1229-T1232 PolarHBondContact OD2-OG1 2.94Å; D1229-G1233 VanDerWaalsContact O-CA 3.26Å; D1229-G1233 WeakPolarHBondContact O-CA 3.14Å; D1229-G1233 PolarHBondContact O-N 2.91Å; D1229-K1234 HydrophobicContact CB-CB 4.44Å; D1229-K1234 PolarHBondContact N-O 3.46Å | ||
| 1230 | S | 63.5 | Low | 64.9 | Low | 66 Ų | 66 | 68.7 Ų | 68.7 | 46% | 0.462 | 35% | 0.352 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -79.2 | -17.1 | -177.3 | 53.7 | 0 | 0 | 0 | 0 | 116 | Y1212 | Y1212-S1230 PolarHBondContact N-O 2.92Å; Y1212-S1230 VanDerWaalsContact O-CA 3.31Å; Y1212-S1230 WeakPolarHBondContact O-CA 3.46Å; Y1212-S1230 WeakPolarHBondContact O-CB 3.17Å |
| 1231 | Q | 57.2 | Low | 66.1 | Low | 173 Ų | 173 | 65.2 Ų | 65.2 | 81% | 0.808 | 33% | 0.333 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -95.6 | -36.9 | 176.3 | -66.3 | -165.6 | 10.6 | 0 | 0 | 112.9 | D1229 | D1229-Q1231 PolarHBondContact OD1-N 2.76Š|
| 1232 | T | 75.8 | Confident | 67.3 | Low | 62 Ų | 62 | 60.5 Ų | 60.5 | 38% | 0.38 | 31% | 0.308 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -103.6 | -19 | -178.5 | 70.8 | 0 | 0 | 0 | 0 | 114.8 | T1194 D1229 K1234 | T1194-T1232 WeakPolarHBondContact CG2-O 3.42Å; D1229-T1232 VanDerWaalsContact CG-OG1 3.3Å; D1229-T1232 WeakPolarHBondContact OD2-CB 3.23Å; D1229-T1232 VanDerWaalsContact OD2-CG2 3.25Å; D1229-T1232 WeakPolarHBondContact OD2-CG2 3.5Å; D1229-T1232 PolarHBondContact OD2-N 3.29Å; D1229-T1232 PolarHBondContact OD2-OG1 2.94Å; T1232-K1234 VanDerWaalsContact C-N 3.32Å; T1232-K1234 WeakPolarHBondContact OG1-CG 3.32Å; T1232-K1234 PolarHBondContact OG1-N 2.91Å |
| 1233 | G | 72.8 | Confident | 68.8 | Low | 0 Ų | 0 | 58.5 Ų | 58.5 | 0% | 0 | 28% | 0.279 | C | S | . | . | trans | 79.3 | 4.9 | -175.2 | 0 | 0 | 0 | 0 | 0 | 115.2 | D1229 | D1229-G1233 VanDerWaalsContact O-CA 3.26Å; D1229-G1233 WeakPolarHBondContact O-CA 3.14Å; D1229-G1233 PolarHBondContact O-N 2.91Å | ||
| 1234 | K | 74.1 | Confident | 70 | Confident | 86 Ų | 86 | 56.3 Ų | 56.3 | 37% | 0.374 | 28% | 0.277 | S | S | . | . | trans | -66.1 | 140.4 | -179 | -76.2 | 176.4 | 176.6 | -177 | 0 | 113.6 | Y1191 M1193 T1194 I1228 D1229 T1232 F1236 | Y1191-K1234 HydrophobicContact CE2-CG 4.42Å; M1193-K1234 CarbonylContact O-C 3.46Å; M1193-K1234 WeakPolarHBondContact O-CA 3.48Å; T1194-K1234 HydrophobicContact CG2-CG 4.1Å; T1194-K1234 WeakPolarHBondContact OG1-CG 3.04Å; I1228-K1234 CarbonylContact C-O 3.54Å; I1228-K1234 WeakPolarHBondContact CA-O 3.46Å; I1228-K1234 WeakPolarHBondContact CG1-O 3.21Å; D1229-K1234 HydrophobicContact CB-CB 4.44Å; D1229-K1234 PolarHBondContact N-O 3.46Å; T1232-K1234 VanDerWaalsContact C-N 3.32Å; T1232-K1234 WeakPolarHBondContact OG1-CG 3.32Å; T1232-K1234 PolarHBondContact OG1-N 2.91Å; K1234-F1236 HydrophobicContact CB-CE2 4.21Å | ||
| 1235 | L | 74.9 | Confident | 69.8 | Low | 3 Ų | 3 | 59.8 Ų | 59.8 | 2% | 0.016 | 29% | 0.292 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119 | 143.8 | -177.3 | -167.9 | 82.8 | 0 | 0 | 0 | 113.3 | V1192 M1193 I1214 R1227 I1228 F1251 I1265 | V1192-L1235 HydrophobicContact CB-CB 4.45Å; V1192-L1235 HydrophobicContact CB-CD2 4.07Å; V1192-L1235 HydrophobicContact CB-CG 4.49Å; V1192-L1235 HydrophobicContact CG1-CD2 4.14Å; V1192-L1235 PolarHBondContact N-O 2.94Å; M1193-L1235 HydrophobicContact CE-CD2 4.25Å; M1193-L1235 HydrophobicContact CG-CB 3.71Å; M1193-L1235 HydrophobicContact CG-CD2 3.7Å; M1193-L1235 HydrophobicContact CG-CG 4.35Å; M1193-L1235 PolarHBondContact O-N 3.12Å; M1193-L1235 HydrophobicContact SD-CD2 4.05Å; I1214-L1235 HydrophobicContact CD1-CD1 3.8Å; R1227-L1235 CarbonylContact O-C 3.45Å; R1227-L1235 WeakPolarHBondContact O-CA 3.42Å; R1227-L1235 WeakPolarHBondContact O-CD1 3.29Å; I1228-L1235 HydrophobicContact CB-CD1 4.24Å; L1235-F1251 HydrophobicContact CD1-CE2 3.95Å; L1235-F1251 HydrophobicContact CD1-CZ 4.3Å; L1235-F1251 HydrophobicContact CD2-CE1 4.25Å; L1235-F1251 HydrophobicContact CD2-CE2 3.79Å; L1235-F1251 HydrophobicContact CD2-CZ 3.31Å; L1235-F1251 HydrophobicContact CG-CZ 4.46Å; L1235-I1265 HydrophobicContact CD2-CD1 4.1Å |
| 1236 | F | 72.3 | Confident | 69.3 | Low | 35 Ų | 35 | 63.1 Ų | 63.1 | 15% | 0.154 | 32% | 0.316 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.9 | 154.7 | 178.3 | -55.2 | -96 | 0 | 0 | 0 | 113.3 | I1190 Y1191 F1226 R1227 K1234 | I1190-F1236 CarbonylContact O-C 3.56Å; I1190-F1236 WeakPolarHBondContact O-CA 3.47Å; Y1191-F1236 HydrophobicContact CD2-CE1 4.28Å; F1226-F1236 CarbonylContact C-O 3.52Å; F1226-F1236 WeakPolarHBondContact CA-O 3.49Å; F1226-F1236 WeakPolarHBondContact CB-O 3.48Å; R1227-F1236 PolarHBondContact N-O 2.8Å; R1227-F1236 PolarHBondContact O-N 2.7Å; K1234-F1236 HydrophobicContact CB-CE2 4.21Å |
| 1237 | A | 74 | Confident | 68.2 | Low | 2 Ų | 2 | 65.1 Ų | 65.1 | 2% | 0.017 | 33% | 0.333 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.7 | 148.9 | 177.5 | 0 | 0 | 0 | 0 | 0 | 112.9 | I1190 V1192 V1225 F1226 | I1190-A1237 HydrophobicContact CB-CB 4.38Å; I1190-A1237 PolarHBondContact N-O 2.95Å; I1190-A1237 PolarHBondContact O-N 2.68Å; V1192-A1237 HydrophobicContact CG2-CB 4Å; V1225-A1237 WeakPolarHBondContact O-CA 3.39Å; F1226-A1237 HydrophobicContact CD1-CB 3.57Å; F1226-A1237 HydrophobicContact CE1-CB 3.53Å |
| 1238 | M | 62.7 | Low | 67.3 | Low | 86 Ų | 86 | 63.9 Ų | 63.9 | 42% | 0.424 | 33% | 0.334 | S | S | . | . | trans | -124.3 | 9.6 | -161 | -54 | -57.2 | -56.1 | 0 | 0 | 116.2 | N1188 V1225 | N1188-M1238 WeakPolarHBondContact O-CE 3.3Å; V1225-M1238 WeakPolarHBondContact O-CB 3.38Å; V1225-M1238 WeakPolarHBondContact O-CG 3.45Å; V1225-M1238 PolarHBondContact O-N 3.4Å | ||
| 1239 | M | 65.5 | Low | 66.6 | Low | 37 Ų | 37 | 64.7 Ų | 64.7 | 18% | 0.182 | 34% | 0.337 | C | S | . | . | S | Bend | trans | -159.7 | 161.6 | -179.8 | 59.8 | -171.4 | 63.5 | 0 | 0 | 112.5 | L1220 V1225 | L1220-M1239 HydrophobicContact CB-CE 4.05Å; L1220-M1239 HydrophobicContact CB-SD 3.65Å; L1220-M1239 HydrophobicContact CD2-SD 3.63Å; L1220-M1239 HydrophobicContact CG-SD 4.28Å; V1225-M1239 HydrophobicContact CB-CE 4.38Å; V1225-M1239 HydrophobicContact CB-SD 4.47Å; V1225-M1239 HydrophobicContact CG1-CG 4.14Å; V1225-M1239 HydrophobicContact CG1-SD 4.16Å; V1225-M1239 HydrophobicContact CG2-CE 3.91Å; V1225-M1239 HydrophobicContact CG2-SD 3.87Å |
| 1240 | E | 64 | Low | 66.2 | Low | 100 Ų | 100 | 68.1 Ų | 68.1 | 47% | 0.467 | 35% | 0.351 | S | S | . | . | trans | -59.8 | 157.9 | 171.4 | -72.9 | 133.6 | -121 | 0 | 0 | 113.2 | V1163 | V1163-E1240 HydrophobicContact CB-CG 4.46Å; V1163-E1240 HydrophobicContact CG2-CG 4.16Å | ||
| 1241 | L | 75.4 | Confident | 66 | Low | 14 Ų | 14 | 65.5 Ų | 65.5 | 7% | 0.073 | 33% | 0.331 | C | S | . | . | trans | -140 | 159.6 | -177.7 | -59.6 | 176.1 | 0 | 0 | 0 | 109 | V1158 E1160 N1161 K1249 V1267 | V1158-L1241 HydrophobicContact CB-CD1 3.91Å; V1158-L1241 HydrophobicContact CG1-CD1 3.84Å; E1160-L1241 CarbonylContact C-O 3.56Å; E1160-L1241 WeakPolarHBondContact CA-O 3.37Å; E1160-L1241 WeakPolarHBondContact CB-O 3.24Å; N1161-L1241 PolarHBondContact N-O 3.37Å; L1241-K1249 HydrophobicContact CD2-CD 4.35Å; L1241-V1267 HydrophobicContact CB-CG1 4.33Å; L1241-V1267 HydrophobicContact CB-CG2 4.13Å; L1241-V1267 HydrophobicContact CD1-CG2 4.05Å | ||
| 1242 | D | 70 | Confident | 66.2 | Low | 63 Ų | 63 | 60 Ų | 60 | 34% | 0.337 | 31% | 0.306 | S | S | . | . | trans | -157.6 | 126.3 | -165.5 | 173 | 109.1 | 0 | 0 | 0 | 107 | N1245 S1246 | D1242-N1245 VanDerWaalsContact OD2-CB 3.29Å; D1242-N1245 WeakPolarHBondContact OD2-CB 3.36Å; D1242-N1245 PolarHBondContact OD2-N 3.25Å; D1242-N1245 PolarHBondContact OD2-ND2 3.12Å; D1242-S1246 PolarHBondContact O-N 2.93Å | ||
| 1243 | R | 77.1 | Confident | 65.8 | Low | 26 Ų | 26 | 57.5 Ų | 57.5 | 10% | 0.098 | 29% | 0.29 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -73.5 | -52.2 | -165.1 | 175.1 | -172.1 | 168.4 | 83.1 | 4 | 112.2 | E1160 N1245 S1246 V1267 D1269 D1306 E1307 | E1160-R1243 VanDerWaalsContact OE2-CB 3.26Å; E1160-R1243 WeakPolarHBondContact OE2-CB 3.21Å; E1160-R1243 PolarHBondContact OE2-N 3.37Å; R1243-N1245 PolarHBondContact O-N 3.19Å; R1243-N1245 VanDerWaalsContact O-N 3.1Å; R1243-S1246 CarbonylContact O-C 3.56Å; R1243-S1246 PolarHBondContact O-N 2.79Å; R1243-V1267 HydrophobicContact CB-CG1 4.4Å; R1243-D1269 VanDerWaalsContact CD-CB 3.45Å; R1243-D1269 VanDerWaalsContact CD-OD1 3.31Å; R1243-D1269 WeakPolarHBondContact CD-OD1 3.33Å; R1243-D1269 IonicContact CZ-OD2 2.77Å; R1243-D1269 VanDerWaalsContact CZ-OD2 3.31Å; R1243-D1269 IonicContact NE-OD1 2.77Å; R1243-D1269 IonicContact NE-OD2 2.73Å; R1243-D1269 PolarHBondContact NE-OD2 3.49Å; R1243-D1269 IonicContact NH2-OD2 2.81Å; R1243-D1306 IonicContact CZ-OD1 2.96Å; R1243-D1306 IonicContact NE-OD1 2.64Å; R1243-D1306 IonicContact NH2-OD1 2.69Å; R1243-D1306 PolarHBondContact NH2-OD1 2.85Å; R1243-E1307 IonicContact CZ-OE1 3.9Å; R1243-E1307 IonicContact CZ-OE2 2.79Å; R1243-E1307 IonicContact NH1-OE1 2.94Å; R1243-E1307 PolarHBondContact NH1-OE1 2.82Å; R1243-E1307 IonicContact NH1-OE2 2.75Å; R1243-E1307 PolarHBondContact NH1-OE2 2.82Å; R1243-E1307 IonicContact NH2-OE1 3.28Å; R1243-E1307 PolarHBondContact NH2-OE1 3.45Å; R1243-E1307 IonicContact NH2-OE2 3.88Å |
| 1244 | E | 73.2 | Confident | 65.3 | Low | 135 Ų | 135 | 60.4 Ų | 60.4 | 63% | 0.631 | 30% | 0.304 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -64.8 | -24.3 | -170.4 | -72.3 | 50 | -97.7 | 0 | 0 | 110.7 | ||
| 1245 | N | 54.7 | Low | 64.6 | Low | 130 Ų | 130 | 57.4 Ų | 57.4 | 70% | 0.695 | 29% | 0.292 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -82.8 | -35.3 | 170.8 | -78.1 | -79 | 0 | 0 | 0 | 114.5 | D1242 R1243 | D1242-N1245 VanDerWaalsContact OD2-CB 3.29Å; D1242-N1245 WeakPolarHBondContact OD2-CB 3.36Å; D1242-N1245 PolarHBondContact OD2-N 3.25Å; D1242-N1245 PolarHBondContact OD2-ND2 3.12Å; R1243-N1245 PolarHBondContact O-N 3.19Å; R1243-N1245 VanDerWaalsContact O-N 3.1Å |
| 1246 | S | 55.9 | Low | 63.3 | Low | 74 Ų | 74 | 60.4 Ų | 60.4 | 52% | 0.517 | 31% | 0.311 | S | S | . | . | trans | -178.7 | 114.4 | 174.1 | -82.9 | 0 | 0 | 0 | 0 | 116.3 | D1242 R1243 Q1248 | D1242-S1246 PolarHBondContact O-N 2.93Å; R1243-S1246 CarbonylContact O-C 3.56Å; R1243-S1246 PolarHBondContact O-N 2.79Å; S1246-Q1248 PolarHBondContact O-N 2.66Å | ||
| 1247 | A | 55.8 | Low | 62.1 | Low | 48 Ų | 48 | 68.6 Ų | 68.6 | 40% | 0.397 | 35% | 0.347 | S | S | . | . | S | Bend | trans | -71.8 | -15.8 | -177.6 | 0 | 0 | 0 | 0 | 0 | 119.4 | K1266 V1267 | A1247-K1266 CarbonylContact O-C 3.5Å; A1247-K1266 WeakPolarHBondContact O-CA 3.44Å; A1247-V1267 PolarHBondContact O-N 2.89Å |
| 1248 | Q | 54.2 | Low | 61.1 | Low | 128 Ų | 128 | 76.3 Ų | 76.3 | 60% | 0.598 | 39% | 0.387 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -152.4 | 153.4 | -172.8 | 57.4 | 179.4 | -16.3 | 0 | 0 | 118.2 | S1246 I1265 | S1246-Q1248 PolarHBondContact O-N 2.66Å; Q1248-I1265 CarbonylContact C-O 3.58Å; Q1248-I1265 VanDerWaalsContact CA-O 3.3Å; Q1248-I1265 WeakPolarHBondContact CA-O 3.2Å |
| 1249 | K | 60.8 | Low | 60.7 | Low | 39 Ų | 39 | 73.5 Ų | 73.5 | 17% | 0.17 | 38% | 0.38 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -147.5 | 149.5 | -174.9 | -55.8 | -178.1 | -174.4 | 178 | 0 | 113.4 | K1218 F1226 L1241 I1264 I1265 | K1218-K1249 HydrophobicContact CD-CB 4.31Å; F1226-K1249 HydrophobicContact CE2-CB 4.5Å; L1241-K1249 HydrophobicContact CD2-CD 4.35Å; K1249-I1264 CarbonylContact O-C 3.6Å; K1249-I1264 WeakPolarHBondContact O-CA 3.02Å; K1249-I1265 PolarHBondContact N-O 2.77Å; K1249-I1265 PolarHBondContact O-N 2.97Å |
| 1250 | E | 55.5 | Low | 60.6 | Low | 123 Ų | 123 | 76.5 Ų | 76.5 | 58% | 0.575 | 40% | 0.401 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -139.1 | 153.4 | -168.4 | -179.8 | -175.8 | -163.4 | 0 | 0 | 113.9 | V1262 A1263 I1264 | E1250-V1262 HydrophobicContact CG-CG1 4.05Å; E1250-A1263 CarbonylContact C-O 3.57Å; E1250-A1263 WeakPolarHBondContact CA-O 3.19Å; E1250-I1264 HydrophobicContact CB-CG1 4.27Å; E1250-I1264 HydrophobicContact CG-CG1 4.02Å |
| 1251 | F | 60.6 | Low | 60.8 | Low | 11 Ų | 11 | 72.3 Ų | 72.3 | 5% | 0.048 | 39% | 0.385 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -162.9 | 169.2 | -178.8 | 53.9 | -83.7 | 0 | 0 | 0 | 115.6 | R1216 F1226 L1235 I1253 V1262 A1263 I1265 | R1216-F1251 VanDerWaalsContact O-CB 3.3Å; R1216-F1251 WeakPolarHBondContact O-CB 3.45Å; F1226-F1251 HydrophobicContact CD2-CD1 4.09Å; F1226-F1251 HydrophobicContact CD2-CE1 4.29Å; F1226-F1251 HydrophobicContact CE2-CD1 4.35Å; F1226-F1251 HydrophobicContact CE2-CE1 4.48Å; L1235-F1251 HydrophobicContact CD1-CE2 3.95Å; L1235-F1251 HydrophobicContact CD1-CZ 4.3Å; L1235-F1251 HydrophobicContact CD2-CE1 4.25Å; L1235-F1251 HydrophobicContact CD2-CE2 3.79Å; L1235-F1251 HydrophobicContact CD2-CZ 3.31Å; L1235-F1251 HydrophobicContact CG-CZ 4.46Å; F1251-I1253 HydrophobicContact CE2-CD1 4.46Å; F1251-V1262 WeakPolarHBondContact O-CA 3.02Å; F1251-A1263 HydrophobicContact CD2-CB 4.39Å; F1251-A1263 HydrophobicContact CE1-CB 4.32Å; F1251-A1263 HydrophobicContact CE2-CB 3.64Å; F1251-A1263 HydrophobicContact CZ-CB 3.55Å; F1251-A1263 PolarHBondContact N-O 2.93Å; F1251-A1263 PolarHBondContact O-N 2.97Å; F1251-I1265 HydrophobicContact CE1-CD1 3.61Å; F1251-I1265 HydrophobicContact CE1-CG1 4.01Å; F1251-I1265 HydrophobicContact CZ-CD1 4.07Å; F1251-I1265 HydrophobicContact CZ-CG1 4.49Å |
| 1252 | E | 60.3 | Low | 60.6 | Low | 59 Ų | 59 | 73.7 Ų | 73.7 | 28% | 0.276 | 39% | 0.394 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.4 | 151.6 | -170.5 | -59.4 | 160 | -165.1 | 0 | 0 | 114.6 | L1215 R1216 | L1215-E1252 HydrophobicContact CB-CB 4.15Å; L1215-E1252 HydrophobicContact CD2-CB 4.34Å; L1215-E1252 PolarHBondContact N-O 3.33Å; R1216-E1252 HydrophobicContact CB-CB 3.94Å; R1216-E1252 HydrophobicContact CB-CG 4.28Å; R1216-E1252 WeakPolarHBondContact CB-OE2 3.49Å; R1216-E1252 VanDerWaalsContact CD-CD 3.45Å; R1216-E1252 WeakPolarHBondContact CD-OE1 3.49Å; R1216-E1252 WeakPolarHBondContact CD-OE2 3.2Å; R1216-E1252 IonicContact CZ-OE1 3.82Å; R1216-E1252 PolarHBondContact N-O 3.21Å; R1216-E1252 IonicContact NH1-OE1 2.82Å; R1216-E1252 PolarHBondContact NH1-OE1 3.49Å; R1216-E1252 PolarHBondContact O-N 2.79Å |
| 1253 | I | 68.9 | Low | 60.5 | Low | 8 Ų | 8 | 70.7 Ų | 70.7 | 4% | 0.041 | 38% | 0.378 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -139.7 | 151.8 | -166.9 | -55.5 | 147.1 | 0 | 0 | 0 | 111.2 | L1195 S1213 I1214 I1228 F1251 T1260 G1261 A1263 | L1195-I1253 HydrophobicContact CD1-CD1 3.81Å; L1195-I1253 HydrophobicContact CD1-CG2 4.23Å; S1213-I1253 WeakPolarHBondContact O-CG2 3.47Å; I1214-I1253 HydrophobicContact CG1-CG1 4.35Å; I1228-I1253 HydrophobicContact CD1-CG2 4.48Å; F1251-I1253 HydrophobicContact CE2-CD1 4.46Å; I1253-T1260 CarbonylContact O-C 3.41Å; I1253-T1260 WeakPolarHBondContact O-CA 3.43Å; I1253-T1260 WeakPolarHBondContact O-CB 3.23Å; I1253-G1261 PolarHBondContact N-O 3.28Å; I1253-G1261 PolarHBondContact O-N 2.82Å; I1253-A1263 HydrophobicContact CD1-CB 3.95Å |
| 1254 | E | 60.7 | Low | 60.4 | Low | 61 Ų | 61 | 71.3 Ų | 71.3 | 29% | 0.285 | 38% | 0.382 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.6 | 157.6 | 177.4 | 71.8 | 158.7 | -130.2 | 0 | 0 | 116.8 | S1213 T1260 | S1213-E1254 PolarHBondContact N-O 2.85Å; S1213-E1254 PolarHBondContact O-N 2.83Å; S1213-E1254 VanDerWaalsContact OG-CG 3.3Å; S1213-E1254 WeakPolarHBondContact OG-CG 3.43Å; E1254-T1260 HydrophobicContact CB-CG2 3.98Å |
| 1255 | I | 59.6 | Low | 60.3 | Low | 24 Ų | 24 | 65 Ų | 65 | 12% | 0.123 | 35% | 0.353 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.6 | 128.7 | 154.3 | -69.1 | -170.9 | 0 | 0 | 0 | 108.4 | F1149 T1211 Y1212 F1257 G1259 | F1149-I1255 HydrophobicContact CD2-CD1 4.22Å; F1149-I1255 HydrophobicContact CE1-CD1 4.27Å; F1149-I1255 HydrophobicContact CE2-CB 4.14Å; F1149-I1255 HydrophobicContact CE2-CD1 3.36Å; F1149-I1255 HydrophobicContact CE2-CG1 3.47Å; F1149-I1255 VanDerWaalsContact CE2-CG1 3.47Å; F1149-I1255 HydrophobicContact CZ-CD1 3.39Å; F1149-I1255 HydrophobicContact CZ-CG1 3.57Å; T1211-I1255 VanDerWaalsContact O-CG1 3.25Å; T1211-I1255 WeakPolarHBondContact O-CG1 3.2Å; T1211-I1255 WeakPolarHBondContact O-CG2 3.34Å; Y1212-I1255 HydrophobicContact CD1-CD1 3.76Å; Y1212-I1255 HydrophobicContact CD1-CG1 3.83Å; Y1212-I1255 HydrophobicContact CE1-CD1 3.77Å; Y1212-I1255 HydrophobicContact CE1-CG1 4.36Å; I1255-F1257 PolarHBondContact O-N 3.16Å; I1255-G1259 PolarHBondContact N-O 2.99Å; I1255-G1259 PolarHBondContact O-N 2.84Å |
| 1256 | P | 48 | Very low | 61.1 | Low | 65 Ų | 65 | 63.2 Ų | 63.2 | 42% | 0.422 | 34% | 0.339 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -52.9 | 131 | -179.3 | -29.9 | 36.3 | 0 | 0 | 0 | 114.1 | L1258 | P1256-L1258 PolarHBondContact O-N 3.16Š|
| 1257 | F | 47.9 | Very low | 61.9 | Low | 208 Ų | 208 | 60.3 Ų | 60.3 | 91% | 0.912 | 32% | 0.318 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 70.4 | -7.7 | 175.1 | -70.2 | -79.3 | 0 | 0 | 0 | 119.7 | I1255 | I1255-F1257 PolarHBondContact O-N 3.16Š|
| 1258 | L | 52.5 | Low | 62.6 | Low | 163 Ų | 163 | 60.8 Ų | 60.8 | 85% | 0.853 | 32% | 0.316 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -139.3 | -7.8 | 177.3 | -89.6 | 110.5 | 0 | 0 | 0 | 119.2 | P1256 | P1256-L1258 PolarHBondContact O-N 3.16Š|
| 1259 | G | 54.6 | Low | 63.4 | Low | 27 Ų | 27 | 55.5 Ų | 55.5 | 28% | 0.278 | 29% | 0.292 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -177.1 | 164.4 | 175.6 | 0 | 0 | 0 | 0 | 0 | 118.7 | I1255 | I1255-G1259 PolarHBondContact N-O 2.99Å; I1255-G1259 PolarHBondContact O-N 2.84Å |
| 1260 | T | 62.1 | Low | 63.9 | Low | 100 Ų | 100 | 57.4 Ų | 57.4 | 61% | 0.613 | 31% | 0.307 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -137.3 | 152.1 | -178.2 | 52.5 | 0 | 0 | 0 | 0 | 112.1 | L1215 I1253 E1254 | L1215-T1260 HydrophobicContact CD2-CG2 4.22Å; I1253-T1260 CarbonylContact O-C 3.41Å; I1253-T1260 WeakPolarHBondContact O-CA 3.43Å; I1253-T1260 WeakPolarHBondContact O-CB 3.23Å; E1254-T1260 HydrophobicContact CB-CG2 3.98Å |
| 1261 | G | 69.9 | Low | 64.5 | Low | 13 Ų | 13 | 51.8 Ų | 51.8 | 13% | 0.134 | 28% | 0.28 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -144.5 | 174.2 | 179.1 | 0 | 0 | 0 | 0 | 0 | 113.8 | I1253 | I1253-G1261 PolarHBondContact N-O 3.28Å; I1253-G1261 PolarHBondContact O-N 2.82Å |
| 1262 | V | 71 | Confident | 64.8 | Low | 43 Ų | 43 | 56.6 Ų | 56.6 | 26% | 0.261 | 31% | 0.306 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.6 | 149.5 | -169.6 | -179.5 | 0 | 0 | 0 | 0 | 111.5 | S1152 P1153 F1154 E1250 F1251 | S1152-V1262 PolarHBondContact OG-N 2.81Å; S1152-V1262 VanDerWaalsContact OG-N 3.08Å; P1153-V1262 VanDerWaalsContact CA-O 3.23Å; P1153-V1262 WeakPolarHBondContact CA-O 3.37Å; P1153-V1262 HydrophobicContact CB-CB 4.24Å; P1153-V1262 HydrophobicContact CB-CG1 4.45Å; F1154-V1262 PolarHBondContact N-O 3.08Å; E1250-V1262 HydrophobicContact CG-CG1 4.05Å; F1251-V1262 WeakPolarHBondContact O-CA 3.02Å |
| 1263 | A | 66.8 | Low | 65.1 | Low | 0 Ų | 0 | 56.7 Ų | 56.7 | 0% | 0 | 31% | 0.309 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -144.2 | 153.8 | 175 | 0 | 0 | 0 | 0 | 0 | 114.7 | F1154 M1193 E1250 F1251 I1253 | F1154-A1263 HydrophobicContact CB-CB 4.12Å; F1154-A1263 CarbonylContact O-C 3.42Å; F1154-A1263 WeakPolarHBondContact O-CA 3.07Å; F1154-A1263 WeakPolarHBondContact O-CB 3.47Å; M1193-A1263 HydrophobicContact CE-CB 4.24Å; M1193-A1263 HydrophobicContact SD-CB 3.91Å; E1250-A1263 CarbonylContact C-O 3.57Å; E1250-A1263 WeakPolarHBondContact CA-O 3.19Å; F1251-A1263 HydrophobicContact CD2-CB 4.39Å; F1251-A1263 HydrophobicContact CE1-CB 4.32Å; F1251-A1263 HydrophobicContact CE2-CB 3.64Å; F1251-A1263 HydrophobicContact CZ-CB 3.55Å; F1251-A1263 PolarHBondContact N-O 2.93Å; F1251-A1263 PolarHBondContact O-N 2.97Å; I1253-A1263 HydrophobicContact CD1-CB 3.95Å |
| 1264 | I | 74.4 | Confident | 65.2 | Low | 39 Ų | 39 | 58.7 Ų | 58.7 | 20% | 0.2 | 33% | 0.327 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.4 | 147.2 | -169 | -59.7 | 167.2 | 0 | 0 | 0 | 110.5 | F1154 I1155 G1156 K1249 E1250 | F1154-I1264 PolarHBondContact O-N 2.99Å; I1155-I1264 CarbonylContact C-O 3.44Å; I1155-I1264 WeakPolarHBondContact CA-O 3.45Å; G1156-I1264 PolarHBondContact N-O 3.12Å; K1249-I1264 CarbonylContact O-C 3.6Å; K1249-I1264 WeakPolarHBondContact O-CA 3.02Å; E1250-I1264 HydrophobicContact CB-CG1 4.27Å; E1250-I1264 HydrophobicContact CG-CG1 4.02Å |
| 1265 | I | 72.8 | Confident | 66.2 | Low | 3 Ų | 3 | 56.3 Ų | 56.3 | 2% | 0.015 | 32% | 0.316 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.5 | 134.3 | 179.9 | -62.6 | 168.8 | 0 | 0 | 0 | 111 | G1156 V1158 V1192 M1193 F1226 L1235 Q1248 K1249 F1251 | G1156-I1265 CarbonylContact O-C 3.45Å; G1156-I1265 VanDerWaalsContact O-CA 3.28Å; G1156-I1265 WeakPolarHBondContact O-CA 3.29Å; V1158-I1265 HydrophobicContact CG2-CG2 4Å; V1192-I1265 HydrophobicContact CG1-CD1 3.74Å; V1192-I1265 HydrophobicContact CG1-CG1 3.86Å; V1192-I1265 HydrophobicContact CG2-CD1 4.33Å; M1193-I1265 HydrophobicContact CE-CG1 4.23Å; F1226-I1265 HydrophobicContact CD1-CD1 3.68Å; F1226-I1265 HydrophobicContact CD2-CD1 4.47Å; F1226-I1265 HydrophobicContact CE1-CD1 3.26Å; F1226-I1265 HydrophobicContact CE2-CD1 4.1Å; F1226-I1265 HydrophobicContact CG-CD1 4.29Å; F1226-I1265 HydrophobicContact CZ-CD1 3.49Å; F1226-I1265 VanDerWaalsContact CZ-CD1 3.49Å; L1235-I1265 HydrophobicContact CD2-CD1 4.1Å; Q1248-I1265 CarbonylContact C-O 3.58Å; Q1248-I1265 VanDerWaalsContact CA-O 3.3Å; Q1248-I1265 WeakPolarHBondContact CA-O 3.2Å; K1249-I1265 PolarHBondContact N-O 2.77Å; K1249-I1265 PolarHBondContact O-N 2.97Å; F1251-I1265 HydrophobicContact CE1-CD1 3.61Å; F1251-I1265 HydrophobicContact CE1-CG1 4.01Å; F1251-I1265 HydrophobicContact CZ-CD1 4.07Å; F1251-I1265 HydrophobicContact CZ-CG1 4.49Å |
| 1266 | K | 71.4 | Confident | 66.9 | Low | 92 Ų | 92 | 60.3 Ų | 60.3 | 40% | 0.4 | 33% | 0.331 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.2 | 159.5 | 178 | -70.9 | -172.2 | 170.6 | -166.1 | 0 | 113.9 | G1156 Y1157 V1158 A1247 | G1156-K1266 PolarHBondContact O-N 3.22Å; Y1157-K1266 HydrophobicContact CD1-CB 3.95Å; Y1157-K1266 HydrophobicContact CD1-CD 4.47Å; Y1157-K1266 HydrophobicContact CE1-CB 4.22Å; Y1157-K1266 HydrophobicContact CE1-CD 3.89Å; V1158-K1266 PolarHBondContact N-O 2.88Å; A1247-K1266 CarbonylContact O-C 3.5Å; A1247-K1266 WeakPolarHBondContact O-CA 3.44Å |
| 1267 | V | 72.9 | Confident | 68.4 | Low | 12 Ų | 12 | 58.1 Ų | 58.1 | 7% | 0.073 | 32% | 0.315 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.3 | 160.9 | 176.2 | -172.4 | 0 | 0 | 0 | 0 | 110.9 | V1158 E1160 L1241 R1243 A1247 | V1158-V1267 WeakPolarHBondContact O-CA 3.35Å; E1160-V1267 HydrophobicContact CB-CG1 3.69Å; L1241-V1267 HydrophobicContact CB-CG1 4.33Å; L1241-V1267 HydrophobicContact CB-CG2 4.13Å; L1241-V1267 HydrophobicContact CD1-CG2 4.05Å; R1243-V1267 HydrophobicContact CB-CG1 4.4Å; A1247-V1267 PolarHBondContact O-N 2.89Å |
| 1268 | V | 70.7 | Confident | 69 | Low | 58 Ų | 58 | 51.7 Ų | 51.7 | 35% | 0.352 | 29% | 0.292 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.6 | 148.2 | -173.9 | -171.2 | 0 | 0 | 0 | 0 | 110.5 | T1159 E1160 | T1159-V1268 HydrophobicContact CG2-CB 4.34Å; E1160-V1268 VanDerWaalsContact CG-O 3.23Å; E1160-V1268 WeakPolarHBondContact CG-O 3.44Å; E1160-V1268 PolarHBondContact N-O 2.81Å |
| 1269 | D | 69.1 | Low | 69.8 | Low | 17 Ų | 17 | 47.4 Ų | 47.4 | 9% | 0.091 | 27% | 0.274 | C | S | . | . | trans | -91.3 | 166.1 | -164.2 | -156 | -6.8 | 0 | 0 | 0 | 116.6 | E1160 R1243 E1307 A1308 | E1160-D1269 WeakPolarHBondContact OE1-CA 3.35Å; R1243-D1269 VanDerWaalsContact CD-CB 3.45Å; R1243-D1269 VanDerWaalsContact CD-OD1 3.31Å; R1243-D1269 WeakPolarHBondContact CD-OD1 3.33Å; R1243-D1269 IonicContact CZ-OD2 2.77Å; R1243-D1269 VanDerWaalsContact CZ-OD2 3.31Å; R1243-D1269 IonicContact NE-OD1 2.77Å; R1243-D1269 IonicContact NE-OD2 2.73Å; R1243-D1269 PolarHBondContact NE-OD2 3.49Å; R1243-D1269 IonicContact NH2-OD2 2.81Å; D1269-E1307 HydrophobicContact CB-CB 3.89Å; D1269-E1307 VanDerWaalsContact OD2-CA 3.28Å; D1269-E1307 WeakPolarHBondContact OD2-CA 3.21Å; D1269-E1307 WeakPolarHBondContact OD2-CB 3.46Å; D1269-E1307 PolarHBondContact OD2-N 3.19Å; D1269-A1308 PolarHBondContact OD2-N 2.9Å | ||
| 1270 | V | 72.6 | Confident | 70 | Confident | 80 Ų | 80 | 50.1 Ų | 50.1 | 49% | 0.485 | 29% | 0.289 | S | S | . | . | trans | -153.9 | 136.1 | 176.5 | -175 | 0 | 0 | 0 | 0 | 112.5 | E1160 D1272 | E1160-V1270 HydrophobicContact CG-CG2 4.46Å; E1160-V1270 PolarHBondContact OE1-N 2.74Å; V1270-D1272 PolarHBondContact O-N 2.71Å | ||
| 1271 | N | 67.2 | Low | 70.2 | Confident | 5 Ų | 5 | 48.9 Ų | 48.9 | 3% | 0.027 | 28% | 0.284 | C | S | . | . | trans | -64.3 | 126.9 | 177.6 | 175.8 | -64.2 | 0 | 0 | 0 | 113.5 | D1305 A1308 D1310 R1371 | N1271-D1305 VanDerWaalsContact CA-OD2 3.28Å; N1271-D1305 WeakPolarHBondContact CA-OD2 3.27Å; N1271-A1308 HydrophobicContact CB-CB 3.94Å; N1271-A1308 VanDerWaalsContact N-CB 3.34Å; N1271-D1310 VanDerWaalsContact CB-OD1 3.26Å; N1271-D1310 WeakPolarHBondContact CB-OD1 3.48Å; N1271-R1371 PolarHBondContact O-NH1 2.88Å; N1271-R1371 WeakPolarHBondContact OD1-CD 3.37Å; N1271-R1371 PolarHBondContact OD1-NH1 2.83Å | ||
| 1272 | D | 67.8 | Low | 70.7 | Confident | 111 Ų | 111 | 50 Ų | 50 | 59% | 0.594 | 28% | 0.284 | S | S | * | . | trans | -147.8 | 2.5 | 166.7 | 96.9 | -9 | 0 | 0 | 0 | 118 | V1270 D1305 | V1270-D1272 PolarHBondContact O-N 2.71Å; D1272-D1305 PolarHBondContact N-OD2 3.12Å | ||
| 1273 | N | 67.2 | Low | 70.8 | Confident | 61 Ų | 61 | 53.2 Ų | 53.2 | 33% | 0.326 | 30% | 0.297 | S | S | . | . | trans | -103.9 | -158.1 | 179.7 | -68 | -82.4 | 0 | 0 | 0 | 113.7 | L1304 D1305 F1372 | N1273-L1304 HydrophobicContact CB-CB 4Å; N1273-L1304 HydrophobicContact CB-CD1 4.36Å; N1273-D1305 WeakPolarHBondContact CB-OD1 3.23Å; N1273-D1305 PolarHBondContact N-OD2 3.09Å; N1273-D1305 PolarHBondContact ND2-OD1 2.79Å; N1273-F1372 WeakPolarHBondContact O-CD2 3.45Å; N1273-F1372 WeakPolarHBondContact O-CE2 3.5Å | ||
| 1274 | A | 68.9 | Low | 71.3 | Confident | 50 Ų | 50 | 53.9 Ų | 53.9 | 41% | 0.413 | 30% | 0.303 | S | S | . | . | trans | -164.5 | 149.9 | -167 | 0 | 0 | 0 | 0 | 0 | 116 | D1303 F1372 | A1274-D1303 WeakPolarHBondContact CA-OD2 3.46Å; A1274-D1303 PolarHBondContact N-OD1 3.1Å; A1274-D1303 VanDerWaalsContact N-OD1 3.13Å; A1274-D1303 PolarHBondContact N-OD2 2.72Å; A1274-F1372 HydrophobicContact CB-CB 3.7Å; A1274-F1372 HydrophobicContact CB-CD1 4.32Å; A1274-F1372 HydrophobicContact CB-CD2 3.68Å; A1274-F1372 HydrophobicContact CB-CE2 4.33Å; A1274-F1372 HydrophobicContact CB-CG 3.65Å | ||
| 1275 | P | 83.5 | Confident | 71.6 | Confident | 11 Ų | 11 | 55.8 Ų | 55.8 | 7% | 0.071 | 32% | 0.317 | C | S | . | . | trans | -98.7 | 156.2 | -158.8 | 35.6 | -38.2 | 0 | 0 | 0 | 117.1 | M1302 D1303 L1313 D1369 | P1275-M1302 CarbonylContact C-O 3.49Å; P1275-M1302 VanDerWaalsContact CA-O 3.26Å; P1275-M1302 WeakPolarHBondContact CA-O 3.14Å; P1275-D1303 VanDerWaalsContact CA-OD2 3.26Å; P1275-D1303 WeakPolarHBondContact CA-OD2 3.03Å; P1275-D1303 VanDerWaalsContact CB-OD2 3.32Å; P1275-D1303 WeakPolarHBondContact CB-OD2 3.18Å; P1275-D1303 VanDerWaalsContact CD-OD2 3.23Å; P1275-D1303 WeakPolarHBondContact CD-OD2 3.43Å; P1275-L1313 HydrophobicContact CB-CD2 3.59Å; P1275-L1313 HydrophobicContact CG-CD2 4.19Å; P1275-D1369 HydrophobicContact CG-CB 4.03Å | ||
| 1276 | Y | 72.9 | Confident | 72.1 | Confident | 109 Ų | 109 | 56.1 Ų | 56.1 | 43% | 0.427 | 32% | 0.319 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -146.8 | 141.1 | -178.9 | 66 | -78.7 | 0 | 0 | 0 | 115.2 | V1278 A1301 M1302 | Y1276-V1278 HydrophobicContact CD2-CG2 3.77Å; Y1276-V1278 HydrophobicContact CE2-CG2 3.6Å; Y1276-A1301 CarbonylContact O-C 3.56Å; Y1276-A1301 WeakPolarHBondContact O-CA 3.32Å; Y1276-A1301 VanDerWaalsContact O-CB 3.31Å; Y1276-A1301 WeakPolarHBondContact O-CB 3.24Å; Y1276-M1302 WeakPolarHBondContact CD1-O 3.32Å; Y1276-M1302 HydrophobicContact CE1-CB 3.87Å; Y1276-M1302 WeakPolarHBondContact CE1-O 3.04Å; Y1276-M1302 HydrophobicContact CE2-CB 4.42Å; Y1276-M1302 PolarHBondContact N-O 2.9Å; Y1276-M1302 PolarHBondContact O-N 2.85Å |
| 1277 | F | 79.5 | Confident | 72.5 | Confident | 19 Ų | 19 | 56.3 Ų | 56.3 | 8% | 0.083 | 32% | 0.32 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -75.8 | 143.3 | 177.8 | -83 | -78.5 | 0 | 0 | 0 | 114 | V1299 S1300 A1301 Y1315 V1365 V1367 A1376 | F1277-V1299 HydrophobicContact CE1-CB 4.41Å; F1277-V1299 HydrophobicContact CE1-CG2 4.29Å; F1277-S1300 WeakPolarHBondContact CA-O 3.35Å; F1277-S1300 WeakPolarHBondContact CD1-O 3.49Å; F1277-A1301 HydrophobicContact CD1-CB 4.21Å; F1277-A1301 HydrophobicContact CG-CB 4.35Å; F1277-Y1315 HydrophobicContact CE1-CD1 4.11Å; F1277-Y1315 AromaticContact CE1-CE1 3.75Å; F1277-Y1315 HydrophobicContact CE1-CE1 3.75Å; F1277-Y1315 HydrophobicContact CZ-CD1 4.12Å; F1277-Y1315 HydrophobicContact CZ-CE1 4.07Å; F1277-V1365 HydrophobicContact CE1-CG1 4.42Å; F1277-V1365 HydrophobicContact CZ-CB 4.45Å; F1277-V1365 HydrophobicContact CZ-CG1 3.96Å; F1277-V1367 HydrophobicContact CD2-CG1 3.89Å; F1277-V1367 HydrophobicContact CE1-CB 4.49Å; F1277-V1367 HydrophobicContact CE2-CB 3.76Å; F1277-V1367 HydrophobicContact CE2-CG1 3.42Å; F1277-V1367 VanDerWaalsContact CE2-CG1 3.42Å; F1277-V1367 HydrophobicContact CZ-CB 3.68Å; F1277-V1367 HydrophobicContact CZ-CG1 3.85Å; F1277-A1376 HydrophobicContact CB-CB 4.46Å; F1277-A1376 HydrophobicContact CD1-CB 4.18Å; F1277-A1376 HydrophobicContact CD2-CB 4.09Å; F1277-A1376 HydrophobicContact CE1-CB 4.42Å; F1277-A1376 HydrophobicContact CE2-CB 4.33Å; F1277-A1376 HydrophobicContact CG-CB 4.01Å; F1277-A1376 HydrophobicContact CZ-CB 4.49Å |
| 1278 | V | 60.2 | Low | 72.8 | Confident | 73 Ų | 73 | 56.2 Ų | 56.2 | 44% | 0.442 | 32% | 0.319 | S | S | . | . | S | Bend | trans | -143.2 | 113.4 | 170.2 | -174.6 | 0 | 0 | 0 | 0 | 110.5 | Y1276 S1300 | Y1276-V1278 HydrophobicContact CD2-CG2 3.77Å; Y1276-V1278 HydrophobicContact CE2-CG2 3.6Å; V1278-S1300 PolarHBondContact N-O 3.39Å; V1278-S1300 PolarHBondContact O-OG 2.93Å; V1278-S1300 VanDerWaalsContact O-OG 3.07Å |
| 1279 | P | 69.5 | Low | 72.8 | Confident | 72 Ų | 72 | 56.9 Ų | 56.9 | 47% | 0.468 | 32% | 0.323 | S | S | . | . | S | Bend | cis | -73.3 | 176.2 | -8.5 | 33.9 | -38.5 | 0 | 0 | 0 | 113.5 | Y1282 | P1279-Y1282 WeakPolarHBondContact CD-OH 3.4Å; P1279-Y1282 HydrophobicContact CG-CD1 4.17Å; P1279-Y1282 HydrophobicContact CG-CE1 3.71Å; P1279-Y1282 HydrophobicContact CG-CE2 4.32Å; P1279-Y1282 VanDerWaalsContact O-CE2 3.27Å; P1279-Y1282 WeakPolarHBondContact O-CE2 3.06Å; P1279-Y1282 PolarHBondContact O-OH 2.98Å; P1279-Y1282 VanDerWaalsContact O-OH 3.05Å |
| 1280 | S | 59.7 | Low | 73.2 | Confident | 85 Ų | 85 | 56.8 Ų | 56.8 | 59% | 0.594 | 32% | 0.324 | S | S | * | . | S | Bend | trans | -88 | -0.9 | -178.8 | 59.4 | 0 | 0 | 0 | 0 | 115.4 | A1376 | S1280-A1376 WeakPolarHBondContact O-CA 3.48Å; S1280-A1376 WeakPolarHBondContact O-CB 3.41Å |
| 1281 | S | 65.6 | Low | 73.1 | Confident | 73 Ų | 73 | 55.7 Ų | 55.7 | 51% | 0.51 | 32% | 0.319 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -163.7 | 146.5 | -179.3 | 60 | 0 | 0 | 0 | 0 | 111.1 | D1377 | S1281-D1377 CarbonylContact C-O 3.33Å; S1281-D1377 VanDerWaalsContact CA-O 3.28Å; S1281-D1377 WeakPolarHBondContact CA-O 2.95Å |
| 1282 | Y | 80.6 | Confident | 73.3 | Confident | 36 Ų | 36 | 59 Ų | 59 | 14% | 0.141 | 34% | 0.336 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.7 | 157.5 | -170.5 | -56.7 | -105.7 | 0 | 0 | 0 | 112.8 | P1279 L1297 V1299 S1300 A1376 D1377 V1378 Y1379 | P1279-Y1282 WeakPolarHBondContact CD-OH 3.4Å; P1279-Y1282 HydrophobicContact CG-CD1 4.17Å; P1279-Y1282 HydrophobicContact CG-CE1 3.71Å; P1279-Y1282 HydrophobicContact CG-CE2 4.32Å; P1279-Y1282 VanDerWaalsContact O-CE2 3.27Å; P1279-Y1282 WeakPolarHBondContact O-CE2 3.06Å; P1279-Y1282 PolarHBondContact O-OH 2.98Å; P1279-Y1282 VanDerWaalsContact O-OH 3.05Å; Y1282-L1297 HydrophobicContact CD1-CD1 4.49Å; Y1282-L1297 HydrophobicContact CG-CD2 4.34Å; Y1282-V1299 HydrophobicContact CD1-CG1 3.85Å; Y1282-V1299 HydrophobicContact CD2-CB 4.45Å; Y1282-V1299 HydrophobicContact CD2-CG1 3.75Å; Y1282-V1299 HydrophobicContact CE1-CB 4.04Å; Y1282-V1299 HydrophobicContact CE1-CG1 3.78Å; Y1282-V1299 HydrophobicContact CE2-CB 3.91Å; Y1282-V1299 HydrophobicContact CE2-CG1 3.72Å; Y1282-V1299 HydrophobicContact CG-CG1 3.85Å; Y1282-S1300 PolarHBondContact OH-N 3.44Å; Y1282-A1376 HydrophobicContact CE2-CB 4.14Å; Y1282-D1377 PolarHBondContact N-O 3.04Å; Y1282-V1378 WeakPolarHBondContact O-CA 3.3Å; Y1282-Y1379 PolarHBondContact O-N 2.96Å |
| 1283 | E | 73.2 | Confident | 73.6 | Confident | 112 Ų | 112 | 57.8 Ų | 57.8 | 52% | 0.523 | 33% | 0.33 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -138.2 | 142.1 | 170.5 | -178 | 174.2 | -160.7 | 0 | 0 | 108.9 | Y1379 R1381 | E1283-Y1379 CarbonylContact C-O 3.45Å; E1283-Y1379 WeakPolarHBondContact CA-O 3.31Å; E1283-Y1379 HydrophobicContact CG-CD1 4.13Å; E1283-R1381 IonicContact OE1-CZ 3.98Å; E1283-R1381 VanDerWaalsContact OE1-CZ 3.26Å; E1283-R1381 IonicContact OE1-NE 2.7Å; E1283-R1381 PolarHBondContact OE1-NE 2.81Å; E1283-R1381 IonicContact OE1-NH2 3.17Å; E1283-R1381 PolarHBondContact OE1-NH2 2.83Å; E1283-R1381 IonicContact OE2-NH2 3.65Å |
| 1284 | G | 78.4 | Confident | 74 | Confident | 13 Ų | 13 | 55.8 Ų | 55.8 | 13% | 0.134 | 32% | 0.32 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -149.6 | -179.2 | -177.1 | 0 | 0 | 0 | 0 | 0 | 114.3 | Y1379 L1380 R1381 | G1284-Y1379 PolarHBondContact N-O 3.34Å; G1284-L1380 WeakPolarHBondContact O-CA 3.3Å; G1284-R1381 PolarHBondContact O-N 2.74Å; G1284-R1381 VanDerWaalsContact O-N 3.09Å |
| 1285 | T | 80.1 | Confident | 74.2 | Confident | 80 Ų | 80 | 58.1 Ų | 58.1 | 49% | 0.491 | 33% | 0.331 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -143.1 | 145.3 | -177.7 | 53.3 | 0 | 0 | 0 | 0 | 110.4 | R1381 | T1285-R1381 CarbonylContact C-O 3.58Å; T1285-R1381 VanDerWaalsContact CA-O 3.31Å; T1285-R1381 WeakPolarHBondContact CA-O 3.38Å; T1285-R1381 HydrophobicContact CG2-CB 4.28Å |
| 1286 | V | 84.2 | Confident | 73.9 | Confident | 9 Ų | 9 | 58.8 Ų | 58.8 | 6% | 0.055 | 34% | 0.335 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.2 | 145.3 | 179 | 68.3 | 0 | 0 | 0 | 0 | 109.7 | A1290 V1296 F1328 V1346 L1350 R1381 L1382 L1383 | V1286-A1290 HydrophobicContact CG2-CB 3.71Å; V1286-V1296 HydrophobicContact CB-CG1 3.97Å; V1286-V1296 HydrophobicContact CG2-CG1 4.26Å; V1286-V1296 HydrophobicContact CG2-CG2 3.95Å; V1286-F1328 HydrophobicContact CG1-CE1 4.36Å; V1286-F1328 HydrophobicContact CG1-CZ 4.14Å; V1286-V1346 HydrophobicContact CG2-CG2 4.1Å; V1286-L1350 HydrophobicContact CB-CD1 4.38Å; V1286-L1350 HydrophobicContact CG1-CD1 3.71Å; V1286-L1350 HydrophobicContact CG2-CD1 3.74Å; V1286-R1381 PolarHBondContact N-O 2.88Å; V1286-L1382 HydrophobicContact CG1-CD1 4.05Å; V1286-L1382 CarbonylContact O-C 3.57Å; V1286-L1382 WeakPolarHBondContact O-CA 3.18Å; V1286-L1383 PolarHBondContact O-N 2.99Å |
| 1287 | K | 79 | Confident | 74.2 | Confident | 96 Ų | 96 | 55 Ų | 55 | 42% | 0.417 | 32% | 0.322 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -81.1 | 155.3 | 170.5 | -64.5 | -176.9 | 171.6 | -142.1 | 0 | 110.1 | A1290 E1385 | K1287-A1290 WeakPolarHBondContact O-CB 3.21Å; K1287-A1290 PolarHBondContact O-N 2.88Å; K1287-E1385 HydrophobicContact CB-CG 4.13Å; K1287-E1385 HydrophobicContact CD-CG 3.93Å; K1287-E1385 VanDerWaalsContact CD-OE1 3.3Å; K1287-E1385 WeakPolarHBondContact CD-OE1 3.21Å; K1287-E1385 WeakPolarHBondContact CE-OE1 3.29Å; K1287-E1385 HydrophobicContact CG-CG 4.1Å; K1287-E1385 IonicContact NZ-OE1 3.74Å; K1287-E1385 PolarHBondContact NZ-OE1 2.04Å; K1287-E1385 IonicContact NZ-OE2 2.72Å; K1287-E1385 PolarHBondContact NZ-OE2 3.29Å |
| 1288 | E | 78.4 | Confident | 74.2 | Confident | 11 Ų | 11 | 57.7 Ų | 57.7 | 5% | 0.051 | 34% | 0.343 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -65.6 | -40.4 | 171.6 | 67.4 | -162.5 | 112.1 | 0 | 0 | 113.2 | A1290 L1350 Y1352 L1382 L1383 D1384 E1385 | E1288-A1290 PolarHBondContact O-N 3.07Å; E1288-L1350 HydrophobicContact CB-CB 4.38Å; E1288-L1350 WeakPolarHBondContact O-CB 3.22Å; E1288-Y1352 VanDerWaalsContact CD-CB 3.41Å; E1288-Y1352 VanDerWaalsContact OE1-CB 3.3Å; E1288-Y1352 WeakPolarHBondContact OE1-CB 3.13Å; E1288-Y1352 WeakPolarHBondContact OE2-CB 3.35Å; E1288-Y1352 PolarHBondContact OE2-N 3.33Å; E1288-L1382 HydrophobicContact CB-CD1 4.08Å; E1288-L1383 PolarHBondContact N-O 3.08Å; E1288-L1383 VanDerWaalsContact N-O 3.17Å; E1288-D1384 WeakPolarHBondContact OE1-CA 3.28Å; E1288-E1385 PolarHBondContact OE1-N 3.13Å |
| 1289 | T | 72.2 | Confident | 75.1 | Confident | 72 Ų | 72 | 54.3 Ų | 54.3 | 44% | 0.442 | 32% | 0.323 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -68.4 | 8.1 | 176.5 | 52.5 | 0 | 0 | 0 | 0 | 114.3 | P1291 E1385 D1387 | T1289-P1291 WeakPolarHBondContact O-CD 3.17Å; T1289-E1385 HydrophobicContact CG2-CB 4.28Å; T1289-D1387 HydrophobicContact CG2-CB 4.41Å |
| 1290 | A | 76.2 | Confident | 75.5 | Confident | 14 Ų | 14 | 52.7 Ų | 52.7 | 12% | 0.116 | 31% | 0.313 | C | S | . | . | trans | -69.6 | 115.8 | 178.1 | 0 | 0 | 0 | 0 | 0 | 110.6 | V1286 K1287 E1288 V1346 | V1286-A1290 HydrophobicContact CG2-CB 3.71Å; K1287-A1290 WeakPolarHBondContact O-CB 3.21Å; K1287-A1290 PolarHBondContact O-N 2.88Å; E1288-A1290 PolarHBondContact O-N 3.07Å; A1290-V1346 HydrophobicContact CB-CG2 4.06Å | ||
| 1291 | P | 71.1 | Confident | 76.4 | Confident | 58 Ų | 58 | 48.7 Ų | 48.7 | 38% | 0.377 | 29% | 0.285 | S | S | . | . | trans | -67.8 | 162.9 | -174.5 | 25.2 | -31.7 | 0 | 0 | 0 | 112 | T1289 S1294 V1346 | T1289-P1291 WeakPolarHBondContact O-CD 3.17Å; P1291-S1294 WeakPolarHBondContact O-CB 3.35Å; P1291-S1294 PolarHBondContact O-N 2.83Å; P1291-S1294 PolarHBondContact O-OG 2.78Å; P1291-V1346 WeakPolarHBondContact O-CB 3.49Å | ||
| 1292 | I | 71.8 | Confident | 76.8 | Confident | 73 Ų | 73 | 49.5 Ų | 49.5 | 37% | 0.374 | 28% | 0.282 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -61.5 | 143.7 | 177.1 | -61.7 | 175.7 | 0 | 0 | 0 | 108.9 | S1294 R1349 | I1292-S1294 PolarHBondContact O-N 3.4Å; I1292-R1349 HydrophobicContact CD1-CG 4.36Å; I1292-R1349 HydrophobicContact CG1-CG 4.21Å |
| 1293 | N | 72.8 | Confident | 76.5 | Confident | 87 Ų | 87 | 49.1 Ų | 49.1 | 47% | 0.465 | 28% | 0.282 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 68.4 | -2.4 | -169.2 | -47.9 | -46.7 | 0 | 0 | 0 | 116.3 | Y1329 R1345 V1346 | N1293-Y1329 WeakPolarHBondContact OD1-CE1 3.49Å; N1293-Y1329 PolarHBondContact OD1-OH 2.95Å; N1293-R1345 VanDerWaalsContact O-CD 3.31Å; N1293-R1345 WeakPolarHBondContact O-CD 3.38Å; N1293-R1345 WeakPolarHBondContact O-CG 3.43Å; N1293-V1346 WeakPolarHBondContact CA-O 3.25Å; N1293-V1346 PolarHBondContact N-O 3.36Å |
| 1294 | S | 75.4 | Confident | 76.3 | Confident | 19 Ų | 19 | 49.5 Ų | 49.5 | 13% | 0.133 | 29% | 0.287 | C | S | . | . | trans | -62.4 | 140.1 | 178.4 | 61.2 | 0 | 0 | 0 | 0 | 112.8 | P1291 I1292 R1345 V1346 | P1291-S1294 WeakPolarHBondContact O-CB 3.35Å; P1291-S1294 PolarHBondContact O-N 2.83Å; P1291-S1294 PolarHBondContact O-OG 2.78Å; I1292-S1294 PolarHBondContact O-N 3.4Å; S1294-R1345 CarbonylContact O-C 3.5Å; S1294-R1345 WeakPolarHBondContact O-CA 3.25Å; S1294-V1346 PolarHBondContact O-N 2.88Å; S1294-V1346 VanDerWaalsContact OG-CG2 3.22Å; S1294-V1346 WeakPolarHBondContact OG-CG2 3.36Å | ||
| 1295 | P | 73.5 | Confident | 76 | Confident | 98 Ų | 98 | 49.4 Ų | 49.4 | 64% | 0.636 | 28% | 0.284 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -78.6 | 129.1 | -177.5 | 31.6 | -35.1 | 0 | 0 | 0 | 112.2 | I1343 | P1295-I1343 HydrophobicContact CB-CG2 3.64Å |
| 1296 | V | 77.3 | Confident | 75.1 | Confident | 25 Ų | 25 | 51.8 Ų | 51.8 | 15% | 0.152 | 29% | 0.293 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.9 | -41.2 | -174.5 | -176.8 | 0 | 0 | 0 | 0 | 112.2 | V1286 F1328 L1344 V1346 L1380 | V1286-V1296 HydrophobicContact CB-CG1 3.97Å; V1286-V1296 HydrophobicContact CG2-CG1 4.26Å; V1286-V1296 HydrophobicContact CG2-CG2 3.95Å; V1296-F1328 HydrophobicContact CG1-CE1 4.49Å; V1296-F1328 HydrophobicContact CG2-CD1 4.02Å; V1296-F1328 HydrophobicContact CG2-CE1 3.95Å; V1296-L1344 PolarHBondContact N-O 3.16Å; V1296-V1346 HydrophobicContact CG2-CG2 3.57Å; V1296-L1380 HydrophobicContact CG1-CD1 3.93Å; V1296-L1380 HydrophobicContact CG1-CD2 3.67Å; V1296-L1380 HydrophobicContact CG1-CG 4.44Å |
| 1297 | L | 80.3 | Confident | 74 | Confident | 30 Ų | 30 | 57.3 Ų | 57.3 | 16% | 0.157 | 32% | 0.319 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -158 | 135.1 | -175.6 | 178.9 | 68.1 | 0 | 0 | 0 | 111.1 | Y1282 V1299 L1344 V1378 | Y1282-L1297 HydrophobicContact CD1-CD1 4.49Å; Y1282-L1297 HydrophobicContact CG-CD2 4.34Å; L1297-V1299 HydrophobicContact CD2-CG1 4.2Å; L1297-V1299 HydrophobicContact CG-CG1 4.28Å; L1297-L1344 HydrophobicContact CB-CB 4.21Å; L1297-L1344 HydrophobicContact CB-CD2 4.35Å; L1297-L1344 PolarHBondContact N-O 2.79Å; L1297-L1344 WeakPolarHBondContact O-CB 3.44Å; L1297-L1344 PolarHBondContact O-N 3Å; L1297-V1378 HydrophobicContact CD2-CG1 3.53Å; L1297-V1378 HydrophobicContact CD2-CG2 4.37Å |
| 1298 | S | 79.4 | Confident | 73.2 | Confident | 75 Ų | 75 | 53.1 Ų | 53.1 | 52% | 0.524 | 30% | 0.302 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -97 | 139.1 | 169.9 | 48.8 | 0 | 0 | 0 | 0 | 111.5 | G1342 | S1298-G1342 WeakPolarHBondContact CA-O 3.47Å |
| 1299 | V | 78.8 | Confident | 72.4 | Confident | 2 Ų | 2 | 59.4 Ų | 59.4 | 1% | 0.012 | 34% | 0.341 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.5 | 139.3 | 177.2 | -59.1 | 0 | 0 | 0 | 0 | 109.5 | F1277 Y1282 L1297 Y1315 I1330 V1341 G1342 V1365 | F1277-V1299 HydrophobicContact CE1-CB 4.41Å; F1277-V1299 HydrophobicContact CE1-CG2 4.29Å; Y1282-V1299 HydrophobicContact CD1-CG1 3.85Å; Y1282-V1299 HydrophobicContact CD2-CB 4.45Å; Y1282-V1299 HydrophobicContact CD2-CG1 3.75Å; Y1282-V1299 HydrophobicContact CE1-CB 4.04Å; Y1282-V1299 HydrophobicContact CE1-CG1 3.78Å; Y1282-V1299 HydrophobicContact CE2-CB 3.91Å; Y1282-V1299 HydrophobicContact CE2-CG1 3.72Å; Y1282-V1299 HydrophobicContact CG-CG1 3.85Å; L1297-V1299 HydrophobicContact CD2-CG1 4.2Å; L1297-V1299 HydrophobicContact CG-CG1 4.28Å; V1299-Y1315 HydrophobicContact CG2-CD1 4.34Å; V1299-I1330 HydrophobicContact CG2-CD1 3.83Å; V1299-V1341 WeakPolarHBondContact O-CA 3.17Å; V1299-G1342 PolarHBondContact N-O 2.85Å; V1299-G1342 PolarHBondContact O-N 2.95Å; V1299-V1365 HydrophobicContact CG2-CG1 4.11Å |
| 1300 | S | 77.6 | Confident | 72 | Confident | 39 Ų | 39 | 60.6 Ų | 60.6 | 27% | 0.273 | 34% | 0.344 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.3 | 145.2 | -167.4 | 51.7 | 0 | 0 | 0 | 0 | 115 | F1277 V1278 Y1282 T1340 | F1277-S1300 WeakPolarHBondContact CA-O 3.35Å; F1277-S1300 WeakPolarHBondContact CD1-O 3.49Å; V1278-S1300 PolarHBondContact N-O 3.39Å; V1278-S1300 PolarHBondContact O-OG 2.93Å; V1278-S1300 VanDerWaalsContact O-OG 3.07Å; Y1282-S1300 PolarHBondContact OH-N 3.44Å; S1300-T1340 WeakPolarHBondContact CA-O 2.88Å; S1300-T1340 WeakPolarHBondContact CB-O 3.26Å |
| 1301 | A | 78.3 | Confident | 71.5 | Confident | 0 Ų | 0 | 61.2 Ų | 61.2 | 0% | 0 | 35% | 0.346 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.2 | 158.2 | 175.8 | 0 | 0 | 0 | 0 | 0 | 111.8 | Y1276 F1277 L1313 Y1315 T1340 V1367 | Y1276-A1301 CarbonylContact O-C 3.56Å; Y1276-A1301 WeakPolarHBondContact O-CA 3.32Å; Y1276-A1301 VanDerWaalsContact O-CB 3.31Å; Y1276-A1301 WeakPolarHBondContact O-CB 3.24Å; F1277-A1301 HydrophobicContact CD1-CB 4.21Å; F1277-A1301 HydrophobicContact CG-CB 4.35Å; A1301-L1313 WeakPolarHBondContact O-CD1 3.45Å; A1301-Y1315 HydrophobicContact CB-CE1 4.33Å; A1301-Y1315 WeakPolarHBondContact CB-OH 3.42Å; A1301-Y1315 PolarHBondContact N-OH 2.85Å; A1301-Y1315 VanDerWaalsContact N-OH 3.08Å; A1301-T1340 PolarHBondContact N-O 3.14Å; A1301-T1340 VanDerWaalsContact N-O 3.14Å; A1301-T1340 VanDerWaalsContact O-CB 3.24Å; A1301-T1340 WeakPolarHBondContact O-CB 3.43Å; A1301-V1367 HydrophobicContact CB-CB 4.45Å; A1301-V1367 HydrophobicContact CB-CG1 3.98Å; A1301-V1367 HydrophobicContact CB-CG2 4.12Å |
| 1302 | M | 73.3 | Confident | 71.3 | Confident | 91 Ų | 91 | 61.9 Ų | 61.9 | 45% | 0.448 | 35% | 0.348 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.9 | 152.9 | -175.8 | -67 | 177.2 | 173.8 | 0 | 0 | 111.7 | P1275 Y1276 | P1275-M1302 CarbonylContact C-O 3.49Å; P1275-M1302 VanDerWaalsContact CA-O 3.26Å; P1275-M1302 WeakPolarHBondContact CA-O 3.14Å; Y1276-M1302 WeakPolarHBondContact CD1-O 3.32Å; Y1276-M1302 HydrophobicContact CE1-CB 3.87Å; Y1276-M1302 WeakPolarHBondContact CE1-O 3.04Å; Y1276-M1302 HydrophobicContact CE2-CB 4.42Å; Y1276-M1302 PolarHBondContact N-O 2.9Å; Y1276-M1302 PolarHBondContact O-N 2.85Å |
| 1303 | D | 74.3 | Confident | 71.4 | Confident | 27 Ų | 27 | 59.3 Ų | 59.3 | 14% | 0.144 | 34% | 0.336 | C | S | . | . | trans | -131.5 | -173.6 | 170.5 | -143.5 | -61.7 | 0 | 0 | 0 | 110.5 | A1274 P1275 | A1274-D1303 WeakPolarHBondContact CA-OD2 3.46Å; A1274-D1303 PolarHBondContact N-OD1 3.1Å; A1274-D1303 VanDerWaalsContact N-OD1 3.13Å; A1274-D1303 PolarHBondContact N-OD2 2.72Å; P1275-D1303 VanDerWaalsContact CA-OD2 3.26Å; P1275-D1303 WeakPolarHBondContact CA-OD2 3.03Å; P1275-D1303 VanDerWaalsContact CB-OD2 3.32Å; P1275-D1303 WeakPolarHBondContact CB-OD2 3.18Å; P1275-D1303 VanDerWaalsContact CD-OD2 3.23Å; P1275-D1303 WeakPolarHBondContact CD-OD2 3.43Å | ||
| 1304 | L | 70.4 | Confident | 71.5 | Confident | 120 Ų | 120 | 60.9 Ų | 60.9 | 63% | 0.628 | 34% | 0.34 | S | S | * | . | S | Bend | trans | -114.7 | -22.2 | -177.4 | -64.5 | 178 | 0 | 0 | 0 | 115.2 | N1273 D1306 | N1273-L1304 HydrophobicContact CB-CB 4Å; N1273-L1304 HydrophobicContact CB-CD1 4.36Å; L1304-D1306 PolarHBondContact O-N 2.71Å; L1304-D1306 VanDerWaalsContact O-N 3.12Å |
| 1305 | D | 71.2 | Confident | 71.9 | Confident | 11 Ų | 11 | 60.8 Ų | 60.8 | 6% | 0.059 | 34% | 0.337 | C | S | . | . | trans | -87.2 | 78 | -171.2 | -52.8 | -26.4 | 0 | 0 | 0 | 111.6 | N1271 D1272 N1273 E1307 A1308 N1311 | N1271-D1305 VanDerWaalsContact CA-OD2 3.28Å; N1271-D1305 WeakPolarHBondContact CA-OD2 3.27Å; D1272-D1305 PolarHBondContact N-OD2 3.12Å; N1273-D1305 WeakPolarHBondContact CB-OD1 3.23Å; N1273-D1305 PolarHBondContact N-OD2 3.09Å; N1273-D1305 PolarHBondContact ND2-OD1 2.79Å; D1305-E1307 PolarHBondContact O-N 3.31Å; D1305-A1308 HydrophobicContact CB-CB 3.8Å; D1305-A1308 PolarHBondContact O-N 2.84Å; D1305-N1311 HydrophobicContact CB-CB 4.42Å; D1305-N1311 PolarHBondContact O-ND2 2.97Å | ||
| 1306 | D | 61.9 | Low | 72.1 | Confident | 130 Ų | 130 | 58.3 Ų | 58.3 | 70% | 0.695 | 32% | 0.322 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -80.4 | -12.7 | -157 | 75.2 | -16.3 | 0 | 0 | 0 | 117.8 | R1243 L1304 | R1243-D1306 IonicContact CZ-OD1 2.96Å; R1243-D1306 IonicContact NE-OD1 2.64Å; R1243-D1306 IonicContact NH2-OD1 2.69Å; R1243-D1306 PolarHBondContact NH2-OD1 2.85Å; L1304-D1306 PolarHBondContact O-N 2.71Å; L1304-D1306 VanDerWaalsContact O-N 3.12Å |
| 1307 | E | 61.6 | Low | 72.3 | Confident | 126 Ų | 126 | 59.3 Ų | 59.3 | 59% | 0.589 | 33% | 0.326 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -121.3 | 8.8 | 168.6 | -74.9 | 169.9 | -132.2 | 0 | 0 | 113 | R1243 D1269 D1305 V1309 | R1243-E1307 IonicContact CZ-OE1 3.9Å; R1243-E1307 IonicContact CZ-OE2 2.79Å; R1243-E1307 IonicContact NH1-OE1 2.94Å; R1243-E1307 PolarHBondContact NH1-OE1 2.82Å; R1243-E1307 IonicContact NH1-OE2 2.75Å; R1243-E1307 PolarHBondContact NH1-OE2 2.82Å; R1243-E1307 IonicContact NH2-OE1 3.28Å; R1243-E1307 PolarHBondContact NH2-OE1 3.45Å; R1243-E1307 IonicContact NH2-OE2 3.88Å; D1269-E1307 HydrophobicContact CB-CB 3.89Å; D1269-E1307 VanDerWaalsContact OD2-CA 3.28Å; D1269-E1307 WeakPolarHBondContact OD2-CA 3.21Å; D1269-E1307 WeakPolarHBondContact OD2-CB 3.46Å; D1269-E1307 PolarHBondContact OD2-N 3.19Å; D1305-E1307 PolarHBondContact O-N 3.31Å; E1307-V1309 PolarHBondContact O-N 2.8Å |
| 1308 | A | 61 | Low | 71.6 | Confident | 8 Ų | 8 | 61.7 Ų | 61.7 | 7% | 0.066 | 34% | 0.336 | C | S | . | . | trans | -71.7 | 119.8 | 176.9 | 0 | 0 | 0 | 0 | 0 | 111.6 | D1269 N1271 D1305 D1310 N1311 | D1269-A1308 PolarHBondContact OD2-N 2.9Å; N1271-A1308 HydrophobicContact CB-CB 3.94Å; N1271-A1308 VanDerWaalsContact N-CB 3.34Å; D1305-A1308 HydrophobicContact CB-CB 3.8Å; D1305-A1308 PolarHBondContact O-N 2.84Å; A1308-D1310 PolarHBondContact O-N 3.17Å; A1308-D1310 VanDerWaalsContact O-N 3.09Å; A1308-N1311 HydrophobicContact CB-CB 4.2Å; A1308-N1311 PolarHBondContact O-N 3.27Å; A1308-N1311 VanDerWaalsContact O-N 3.1Å | ||
| 1309 | V | 62.2 | Low | 70.4 | Confident | 143 Ų | 143 | 64.9 Ų | 64.9 | 87% | 0.867 | 35% | 0.348 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -63 | -21.6 | -172.9 | -174 | 0 | 0 | 0 | 0 | 113 | E1307 | E1307-V1309 PolarHBondContact O-N 2.8Š|
| 1310 | D | 62.8 | Low | 69.1 | Low | 97 Ų | 97 | 67.2 Ų | 67.2 | 52% | 0.519 | 37% | 0.372 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -101.4 | 11.6 | -180 | 57.8 | -32.1 | 0 | 0 | 0 | 114.7 | N1271 A1308 | N1271-D1310 VanDerWaalsContact CB-OD1 3.26Å; N1271-D1310 WeakPolarHBondContact CB-OD1 3.48Å; A1308-D1310 PolarHBondContact O-N 3.17Å; A1308-D1310 VanDerWaalsContact O-N 3.09Å |
| 1311 | N | 66.2 | Low | 67.9 | Low | 27 Ų | 27 | 69.5 Ų | 69.5 | 14% | 0.144 | 38% | 0.381 | C | S | . | . | trans | -93.9 | 90.5 | 172.6 | -177.3 | 10.5 | 0 | 0 | 0 | 111.7 | D1305 A1308 | D1305-N1311 HydrophobicContact CB-CB 4.42Å; D1305-N1311 PolarHBondContact O-ND2 2.97Å; A1308-N1311 HydrophobicContact CB-CB 4.2Å; A1308-N1311 PolarHBondContact O-N 3.27Å; A1308-N1311 VanDerWaalsContact O-N 3.1Å | ||
| 1312 | V | 67.7 | Low | 66.7 | Low | 71 Ų | 71 | 78 Ų | 78 | 43% | 0.43 | 42% | 0.42 | S | S | . | . | trans | -130.6 | 109.9 | -172.3 | -176.7 | 0 | 0 | 0 | 0 | 112.6 | Q1314 D1369 | V1312-Q1314 PolarHBondContact O-N 2.88Å; V1312-D1369 PolarHBondContact N-O 2.99Å; V1312-D1369 CarbonylContact O-C 3.56Å; V1312-D1369 VanDerWaalsContact O-C 3.26Å; V1312-D1369 WeakPolarHBondContact O-CA 3.25Å; V1312-D1369 VanDerWaalsContact O-O 3.1Å | ||
| 1313 | L | 73.5 | Confident | 66.4 | Low | 20 Ų | 20 | 77.1 Ų | 77.1 | 11% | 0.105 | 42% | 0.418 | C | S | . | . | trans | -79.5 | 104.1 | -174.8 | -62 | 174.4 | 0 | 0 | 0 | 113.5 | P1275 A1301 Y1315 T1340 V1367 S1368 D1369 | P1275-L1313 HydrophobicContact CB-CD2 3.59Å; P1275-L1313 HydrophobicContact CG-CD2 4.19Å; A1301-L1313 WeakPolarHBondContact O-CD1 3.45Å; L1313-Y1315 HydrophobicContact CB-CE2 4.1Å; L1313-T1340 HydrophobicContact CD1-CG2 4.22Å; L1313-V1367 HydrophobicContact CB-CG2 4.32Å; L1313-V1367 HydrophobicContact CD2-CG2 4.29Å; L1313-S1368 CarbonylContact C-O 3.52Å; L1313-S1368 WeakPolarHBondContact CA-O 3.27Å; L1313-D1369 HydrophobicContact CD2-CB 4.04Å | ||
| 1314 | Q | 74.6 | Confident | 66 | Low | 119 Ų | 119 | 75.9 Ų | 75.9 | 56% | 0.556 | 41% | 0.411 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -97 | 139.1 | 174.7 | -62.5 | -177.4 | -12.9 | 0 | 0 | 112.2 | V1312 V1367 S1368 | V1312-Q1314 PolarHBondContact O-N 2.88Å; Q1314-V1367 CarbonylContact O-C 3.14Å; Q1314-V1367 VanDerWaalsContact O-CA 3.26Å; Q1314-V1367 WeakPolarHBondContact O-CA 3.32Å; Q1314-V1367 WeakPolarHBondContact O-CG2 3.32Å; Q1314-S1368 PolarHBondContact N-O 3.14Å; Q1314-S1368 PolarHBondContact O-N 2.77Å |
| 1315 | Y | 83.1 | Confident | 66.1 | Low | 18 Ų | 18 | 71.6 Ų | 71.6 | 7% | 0.071 | 39% | 0.39 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.5 | 147.7 | -177.7 | -65 | -97.6 | 0 | 0 | 0 | 112.4 | F1277 V1299 A1301 L1313 T1340 V1365 R1366 V1367 | F1277-Y1315 HydrophobicContact CE1-CD1 4.11Å; F1277-Y1315 AromaticContact CE1-CE1 3.75Å; F1277-Y1315 HydrophobicContact CE1-CE1 3.75Å; F1277-Y1315 HydrophobicContact CZ-CD1 4.12Å; F1277-Y1315 HydrophobicContact CZ-CE1 4.07Å; V1299-Y1315 HydrophobicContact CG2-CD1 4.34Å; A1301-Y1315 HydrophobicContact CB-CE1 4.33Å; A1301-Y1315 WeakPolarHBondContact CB-OH 3.42Å; A1301-Y1315 PolarHBondContact N-OH 2.85Å; A1301-Y1315 VanDerWaalsContact N-OH 3.08Å; L1313-Y1315 HydrophobicContact CB-CE2 4.1Å; Y1315-T1340 PolarHBondContact OH-O 3.2Å; Y1315-V1365 HydrophobicContact CD1-CG1 4.44Å; Y1315-R1366 CarbonylContact C-O 3.6Å; Y1315-R1366 WeakPolarHBondContact CA-O 3.38Å; Y1315-V1367 HydrophobicContact CD1-CB 3.99Å; Y1315-V1367 HydrophobicContact CD1-CG2 3.87Å; Y1315-V1367 HydrophobicContact CD2-CG2 4.32Å; Y1315-V1367 HydrophobicContact CE1-CB 3.89Å; Y1315-V1367 HydrophobicContact CE1-CG2 3.54Å; Y1315-V1367 HydrophobicContact CE2-CG2 4.03Å; Y1315-V1367 HydrophobicContact CG-CG2 4.24Å |
| 1316 | S | 79.4 | Confident | 66.3 | Low | 46 Ų | 46 | 74 Ų | 74 | 32% | 0.322 | 41% | 0.405 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -151.2 | 154.7 | -177.9 | 50.6 | 0 | 0 | 0 | 0 | 112.5 | V1365 R1366 | S1316-V1365 CarbonylContact O-C 3.5Å; S1316-V1365 WeakPolarHBondContact O-CA 3.46Å; S1316-V1365 WeakPolarHBondContact O-CG1 3.43Å; S1316-R1366 PolarHBondContact N-O 3.01Å; S1316-R1366 PolarHBondContact O-N 2.82Å; S1316-R1366 PolarHBondContact OG-O 2.95Å |
| 1317 | L | 80 | Confident | 67.3 | Low | 45 Ų | 45 | 69.7 Ų | 69.7 | 24% | 0.236 | 38% | 0.38 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.3 | 150.6 | 174.1 | -72.6 | 171.4 | 0 | 0 | 0 | 111.8 | I1330 L1344 L1363 T1364 V1365 | L1317-I1330 HydrophobicContact CD1-CB 4.37Å; L1317-I1330 HydrophobicContact CG-CB 4.01Å; L1317-I1330 HydrophobicContact CG-CG2 3.83Å; L1317-L1344 HydrophobicContact CD1-CD1 3.93Å; L1317-L1344 HydrophobicContact CD2-CD1 3.89Å; L1317-L1344 HydrophobicContact CG-CD1 4.38Å; L1317-L1363 HydrophobicContact CD1-CD2 4.2Å; L1317-L1363 HydrophobicContact CD2-CB 4.26Å; L1317-L1363 HydrophobicContact CD2-CD2 4.19Å; L1317-T1364 WeakPolarHBondContact CA-O 3.5Å; L1317-T1364 WeakPolarHBondContact CD2-O 3.32Å; L1317-V1365 HydrophobicContact CD2-CG2 3.89Å |
| 1318 | E | 67.5 | Low | 68.6 | Low | 80 Ų | 80 | 63.8 Ų | 63.8 | 37% | 0.374 | 35% | 0.352 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.1 | 146.9 | 178.1 | -161.3 | 174 | -130.4 | 0 | 0 | 111.1 | G1320 T1364 K1375 | E1318-G1320 PolarHBondContact O-N 2.87Å; E1318-T1364 HydrophobicContact CB-CG2 4.45Å; E1318-T1364 PolarHBondContact N-O 2.82Å; E1318-K1375 IonicContact OE1-NZ 3.6Å; E1318-K1375 PolarHBondContact OE1-NZ 3.48Å; E1318-K1375 WeakPolarHBondContact OE2-CE 3.14Å; E1318-K1375 IonicContact OE2-NZ 2.67Å; E1318-K1375 PolarHBondContact OE2-NZ 3.29Å |
| 1319 | N | 53.4 | Low | 69.7 | Low | 143 Ų | 143 | 66.6 Ų | 66.6 | 77% | 0.765 | 36% | 0.361 | S | S | * | . | trans | -73.7 | 90.5 | -168.9 | -74.1 | -25.6 | 0 | 0 | 0 | 113.3 | ||||
| 1320 | G | 50.7 | Low | 70.7 | Confident | 50 Ų | 50 | 60.9 Ų | 60.9 | 52% | 0.515 | 33% | 0.326 | S | S | . | . | S | Bend | trans | -84.2 | -65 | 167.9 | 0 | 0 | 0 | 0 | 0 | 113.3 | E1318 | E1318-G1320 PolarHBondContact O-N 2.87Š|
| 1321 | D | 53 | Low | 71 | Confident | 87 Ų | 87 | 57.2 Ų | 57.2 | 47% | 0.465 | 31% | 0.308 | S | S | . | . | S | Bend | trans | -126.9 | 149 | 177.3 | -95.5 | -45.6 | 0 | 0 | 0 | 111.1 | L1323 G1324 P1325 N1362 | D1321-L1323 PolarHBondContact O-N 2.88Å; D1321-G1324 PolarHBondContact O-N 3.31Å; D1321-P1325 WeakPolarHBondContact O-CD 3.5Å; D1321-N1362 HydrophobicContact CB-CB 4.24Å; D1321-N1362 PolarHBondContact OD2-ND2 2.99Å |
| 1322 | Q | 52.9 | Low | 70.9 | Confident | 178 Ų | 178 | 58.5 Ų | 58.5 | 83% | 0.832 | 32% | 0.319 | S | S | * | . | S | Bend | trans | -69.9 | -23.2 | -169.2 | -71.8 | -172.6 | -22.5 | 0 | 0 | 115.6 | T1326 | Q1322-T1326 PolarHBondContact O-OG1 2.78Š|
| 1323 | L | 67.3 | Low | 70.1 | Confident | 74 Ų | 74 | 58.6 Ų | 58.6 | 39% | 0.387 | 32% | 0.317 | S | S | . | . | S | Bend | trans | -76.8 | -35.6 | 178.3 | -76.7 | 86.9 | 0 | 0 | 0 | 112.6 | D1321 T1326 Y1327 F1361 | D1321-L1323 PolarHBondContact O-N 2.88Å; L1323-T1326 WeakPolarHBondContact O-CB 3.15Å; L1323-T1326 PolarHBondContact O-N 2.8Å; L1323-Y1327 HydrophobicContact CB-CD2 4.35Å; L1323-Y1327 HydrophobicContact CD2-CE2 4.21Å; L1323-Y1327 HydrophobicContact CG-CE2 4.5Å; L1323-Y1327 WeakPolarHBondContact O-CD2 3.23Å; L1323-Y1327 PolarHBondContact O-N 3.46Å; L1323-Y1327 VanDerWaalsContact O-N 3.16Å; L1323-F1361 HydrophobicContact CB-CD1 3.89Å; L1323-F1361 HydrophobicContact CB-CE1 4.33Å; L1323-F1361 HydrophobicContact CD2-CD1 4.41Å; L1323-F1361 HydrophobicContact CD2-CE1 4.2Å |
| 1324 | G | 66.7 | Low | 68.6 | Low | 0 Ų | 0 | 60.9 Ų | 60.9 | 0% | 0 | 35% | 0.345 | C | S | . | . | H | α-helix | trans | -55.6 | -56.6 | -172.9 | 0 | 0 | 0 | 0 | 0 | 113.4 | D1321 T1326 Y1327 F1328 | D1321-G1324 PolarHBondContact O-N 3.31Å; G1324-T1326 PolarHBondContact O-N 2.82Å; G1324-Y1327 PolarHBondContact O-N 2.82Å; G1324-F1328 WeakPolarHBondContact O-CD2 3.2Å; G1324-F1328 PolarHBondContact O-N 3.25Å |
| 1325 | P | 70.6 | Confident | 67.1 | Low | 31 Ų | 31 | 63.7 Ų | 63.7 | 20% | 0.201 | 36% | 0.364 | C | S | . | . | H | α-helix | trans | -69.7 | -7.4 | 176.9 | -20.7 | 34.2 | 0 | 0 | 0 | 115.3 | D1321 K1347 | D1321-P1325 WeakPolarHBondContact O-CD 3.5Å; P1325-K1347 PolarHBondContact O-NZ 3.19Å |
| 1326 | T | 76.7 | Confident | 64.7 | Low | 61 Ų | 61 | 66.1 Ų | 66.1 | 37% | 0.374 | 38% | 0.384 | S | S | . | . | H | α-helix | trans | -80.9 | -49.6 | 172.1 | -62.2 | 0 | 0 | 0 | 0 | 110.3 | Q1322 L1323 G1324 K1347 | Q1322-T1326 PolarHBondContact O-OG1 2.78Å; L1323-T1326 WeakPolarHBondContact O-CB 3.15Å; L1323-T1326 PolarHBondContact O-N 2.8Å; G1324-T1326 PolarHBondContact O-N 2.82Å; T1326-K1347 WeakPolarHBondContact O-CD 3.15Å |
| 1327 | Y | 83.5 | Confident | 62.8 | Low | 40 Ų | 40 | 69.8 Ų | 69.8 | 16% | 0.157 | 41% | 0.409 | C | S | . | . | H | α-helix | trans | -92.8 | -12.4 | -174.4 | -68.7 | -79.7 | 0 | 0 | 0 | 114.9 | L1323 G1324 K1347 Q1348 L1350 F1361 | L1323-Y1327 HydrophobicContact CB-CD2 4.35Å; L1323-Y1327 HydrophobicContact CD2-CE2 4.21Å; L1323-Y1327 HydrophobicContact CG-CE2 4.5Å; L1323-Y1327 WeakPolarHBondContact O-CD2 3.23Å; L1323-Y1327 PolarHBondContact O-N 3.46Å; L1323-Y1327 VanDerWaalsContact O-N 3.16Å; G1324-Y1327 PolarHBondContact O-N 2.82Å; Y1327-K1347 WeakPolarHBondContact O-CB 3.29Å; Y1327-K1347 PolarHBondContact O-N 2.88Å; Y1327-Q1348 HydrophobicContact CD1-CB 4.08Å; Y1327-Q1348 HydrophobicContact CE1-CB 4.44Å; Y1327-L1350 HydrophobicContact CD1-CD2 3.69Å; Y1327-L1350 HydrophobicContact CE1-CD2 4.44Å; Y1327-L1350 HydrophobicContact CG-CD2 4.05Å; Y1327-F1361 HydrophobicContact CD2-CD1 4.28Å; Y1327-F1361 AromaticContact CD2-CE1 3.58Å; Y1327-F1361 HydrophobicContact CD2-CE1 3.58Å; Y1327-F1361 HydrophobicContact CD2-CZ 4.4Å; Y1327-F1361 HydrophobicContact CE2-CE1 4.19Å; Y1327-F1361 AromaticContact CG-CE1 3.96Å; Y1327-F1361 HydrophobicContact CG-CE1 3.96Å; Y1327-F1361 HydrophobicContact CG-CZ 4.41Å |
| 1328 | F | 87.7 | Confident | 61.1 | Low | 1 Ų | 1 | 70.4 Ų | 70.4 | 0% | 0.004 | 43% | 0.426 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.8 | 154.9 | 179.8 | -51.7 | -85.7 | 0 | 0 | 0 | 113.1 | V1286 V1296 G1324 L1344 R1345 V1346 L1350 F1361 L1363 L1380 | V1286-F1328 HydrophobicContact CG1-CE1 4.36Å; V1286-F1328 HydrophobicContact CG1-CZ 4.14Å; V1296-F1328 HydrophobicContact CG1-CE1 4.49Å; V1296-F1328 HydrophobicContact CG2-CD1 4.02Å; V1296-F1328 HydrophobicContact CG2-CE1 3.95Å; G1324-F1328 WeakPolarHBondContact O-CD2 3.2Å; G1324-F1328 PolarHBondContact O-N 3.25Å; F1328-L1344 HydrophobicContact CB-CD1 4.19Å; F1328-L1344 HydrophobicContact CB-CG 4.33Å; F1328-R1345 CarbonylContact C-O 3.5Å; F1328-R1345 VanDerWaalsContact CA-O 3.25Å; F1328-R1345 WeakPolarHBondContact CA-O 2.97Å; F1328-V1346 HydrophobicContact CD1-CG2 4.35Å; F1328-V1346 HydrophobicContact CE1-CG2 4.05Å; F1328-L1350 HydrophobicContact CE1-CD1 4.34Å; F1328-L1350 HydrophobicContact CZ-CD1 4.16Å; F1328-L1350 HydrophobicContact CZ-CD2 4.19Å; F1328-F1361 HydrophobicContact CD2-CG 4.48Å; F1328-F1361 HydrophobicContact CE2-CB 4.07Å; F1328-F1361 AromaticContact CE2-CD1 3.92Å; F1328-F1361 HydrophobicContact CE2-CD1 3.92Å; F1328-F1361 AromaticContact CE2-CD2 3.53Å; F1328-F1361 HydrophobicContact CE2-CD2 3.53Å; F1328-F1361 HydrophobicContact CE2-CE1 4.21Å; F1328-F1361 AromaticContact CE2-CE2 3.84Å; F1328-F1361 HydrophobicContact CE2-CE2 3.84Å; F1328-F1361 AromaticContact CE2-CG 3.58Å; F1328-F1361 HydrophobicContact CE2-CG 3.58Å; F1328-F1361 HydrophobicContact CE2-CZ 4.17Å; F1328-F1361 AromaticContact CZ-CD2 3.82Å; F1328-F1361 HydrophobicContact CZ-CD2 3.82Å; F1328-F1361 AromaticContact CZ-CE2 3.86Å; F1328-F1361 HydrophobicContact CZ-CE2 3.86Å; F1328-F1361 HydrophobicContact CZ-CG 4.34Å; F1328-F1361 HydrophobicContact CZ-CZ 4.41Å; F1328-L1363 HydrophobicContact CB-CD2 3.99Å; F1328-L1363 HydrophobicContact CD2-CD2 4.32Å; F1328-L1363 HydrophobicContact CG-CD2 4.46Å; F1328-L1380 HydrophobicContact CD1-CD1 3.88Å; F1328-L1380 HydrophobicContact CD2-CD1 3.93Å; F1328-L1380 HydrophobicContact CE1-CD1 3.65Å; F1328-L1380 HydrophobicContact CE2-CD1 3.74Å; F1328-L1380 HydrophobicContact CG-CD1 4.02Å; F1328-L1380 HydrophobicContact CZ-CD1 3.6Å |
| 1329 | Y | 84.8 | Confident | 60.3 | Low | 67 Ų | 67 | 67.7 Ų | 67.7 | 26% | 0.263 | 42% | 0.416 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.1 | 172.2 | 166.9 | 74.4 | -82.7 | 0 | 0 | 0 | 110.3 | N1293 L1344 R1345 V1346 K1347 | N1293-Y1329 WeakPolarHBondContact OD1-CE1 3.49Å; N1293-Y1329 PolarHBondContact OD1-OH 2.95Å; Y1329-L1344 CarbonylContact O-C 3.56Å; Y1329-L1344 WeakPolarHBondContact O-CA 3.25Å; Y1329-L1344 WeakPolarHBondContact O-CD1 3.39Å; Y1329-R1345 HydrophobicContact CD1-CB 4.03Å; Y1329-R1345 HydrophobicContact CE1-CB 3.53Å; Y1329-R1345 HydrophobicContact CE2-CB 4.2Å; Y1329-R1345 PolarHBondContact N-O 2.9Å; Y1329-R1345 PolarHBondContact O-N 3Å; Y1329-R1345 VanDerWaalsContact OH-CD 3.23Å; Y1329-R1345 WeakPolarHBondContact OH-CD 2.89Å; Y1329-V1346 WeakPolarHBondContact CE1-O 3.37Å; Y1329-K1347 HydrophobicContact CD1-CB 4.09Å |
| 1330 | I | 82 | Confident | 60.6 | Low | 23 Ų | 23 | 63.9 Ų | 63.9 | 12% | 0.118 | 40% | 0.398 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121 | 143.8 | 171.5 | -163.1 | 167.8 | 0 | 0 | 0 | 110.4 | V1299 L1317 I1343 L1344 V1365 | V1299-I1330 HydrophobicContact CG2-CD1 3.83Å; L1317-I1330 HydrophobicContact CD1-CB 4.37Å; L1317-I1330 HydrophobicContact CG-CB 4.01Å; L1317-I1330 HydrophobicContact CG-CG2 3.83Å; I1330-I1343 WeakPolarHBondContact CA-O 3.31Å; I1330-L1344 HydrophobicContact CB-CD1 4.4Å; I1330-V1365 HydrophobicContact CD1-CG1 3.55Å; I1330-V1365 HydrophobicContact CD1-CG2 4.17Å |
| 1331 | S | 69.7 | Low | 61.5 | Low | 20 Ų | 20 | 63.5 Ų | 63.5 | 14% | 0.14 | 39% | 0.386 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125 | 152.7 | -179.5 | 55.6 | 0 | 0 | 0 | 0 | 110.3 | G1342 I1343 R1345 | S1331-G1342 CarbonylContact O-C 3.6Å; S1331-G1342 VanDerWaalsContact O-CA 3.27Å; S1331-G1342 WeakPolarHBondContact O-CA 3.11Å; S1331-I1343 PolarHBondContact N-O 3.41Å; S1331-I1343 PolarHBondContact O-N 2.84Å; S1331-I1343 PolarHBondContact OG-O 2.81Å; S1331-R1345 WeakPolarHBondContact OG-CD 3.04Å; S1331-R1345 PolarHBondContact OG-NE 3.29Å |
| 1332 | S | 63.5 | Low | 62.6 | Low | 54 Ų | 54 | 59.4 Ų | 59.4 | 38% | 0.378 | 36% | 0.364 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.5 | 122.7 | 166.4 | 50 | 0 | 0 | 0 | 0 | 107.4 | G1334 | S1332-G1334 PolarHBondContact O-N 3.17Å |
| 1333 | D | 52.4 | Low | 63.9 | Low | 73 Ų | 73 | 52.3 Ų | 52.3 | 39% | 0.39 | 33% | 0.332 | S | S | . | . | trans | -64.5 | 118.3 | -178 | -69.3 | -30.5 | 0 | 0 | 0 | 110.4 | I1343 R1345 | D1333-I1343 WeakPolarHBondContact OD2-CD1 3.12Å; D1333-R1345 IonicContact OD1-NH2 2.83Å; D1333-R1345 PolarHBondContact OD1-NH2 2.78Å; D1333-R1345 VanDerWaalsContact OD1-NH2 3.08Å | ||
| 1334 | G | 41.1 | Very low | 64.7 | Low | 68 Ų | 68 | 48.9 Ų | 48.9 | 70% | 0.701 | 31% | 0.314 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -82.1 | -22.5 | -167.7 | 0 | 0 | 0 | 0 | 0 | 115.6 | S1332 S1336 | S1332-G1334 PolarHBondContact O-N 3.17Å; G1334-S1336 PolarHBondContact O-N 2.81Å |
| 1335 | D | 43.4 | Very low | 65.6 | Low | 179 Ų | 179 | 52 Ų | 52 | 96% | 0.957 | 33% | 0.325 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -77.7 | 10.7 | -170.9 | -65 | -30.4 | 0 | 0 | 0 | 114.5 | ||
| 1336 | S | 33.4 | Very low | 66.1 | Low | 68 Ų | 68 | 50.5 Ų | 50.5 | 48% | 0.476 | 32% | 0.316 | S | S | . | . | S | Bend | trans | -141.9 | 122 | 170.2 | 62.1 | 0 | 0 | 0 | 0 | 111.9 | G1334 G1338 S1339 | G1334-S1336 PolarHBondContact O-N 2.81Å; S1336-G1338 PolarHBondContact O-N 2.88Å; S1336-S1339 PolarHBondContact O-N 2.62Å |
| 1337 | S | 38.1 | Very low | 66.2 | Low | 123 Ų | 123 | 52.2 Ų | 52.2 | 86% | 0.86 | 32% | 0.318 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -74.7 | 58.2 | 178.2 | 61.6 | 0 | 0 | 0 | 0 | 111.7 | ||
| 1338 | G | 44.7 | Very low | 66 | Low | 58 Ų | 58 | 54.6 Ų | 54.6 | 60% | 0.598 | 33% | 0.331 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 175.6 | 15.5 | -173.7 | 0 | 0 | 0 | 0 | 0 | 114.3 | S1336 T1340 | S1336-G1338 PolarHBondContact O-N 2.88Å; G1338-T1340 PolarHBondContact O-N 2.67Å; G1338-T1340 VanDerWaalsContact O-N 3.08Å |
| 1339 | S | 50.9 | Low | 65.4 | Low | 23 Ų | 23 | 62 Ų | 62 | 16% | 0.161 | 36% | 0.358 | C | S | . | . | trans | -68.6 | 106.5 | -179.9 | -172.8 | 0 | 0 | 0 | 0 | 111.9 | S1336 V1341 | S1336-S1339 PolarHBondContact O-N 2.62Å; S1339-V1341 PolarHBondContact O-N 2.8Å; S1339-V1341 PolarHBondContact OG-O 3.17Å | ||
| 1340 | T | 60.6 | Low | 65.5 | Low | 63 Ų | 63 | 59.4 Ų | 59.4 | 39% | 0.387 | 35% | 0.349 | S | S | . | . | trans | -79.8 | 17.9 | 175.2 | 54.3 | 0 | 0 | 0 | 0 | 113.3 | S1300 A1301 L1313 Y1315 G1338 | S1300-T1340 WeakPolarHBondContact CA-O 2.88Å; S1300-T1340 WeakPolarHBondContact CB-O 3.26Å; A1301-T1340 PolarHBondContact N-O 3.14Å; A1301-T1340 VanDerWaalsContact N-O 3.14Å; A1301-T1340 VanDerWaalsContact O-CB 3.24Å; A1301-T1340 WeakPolarHBondContact O-CB 3.43Å; L1313-T1340 HydrophobicContact CD1-CG2 4.22Å; Y1315-T1340 PolarHBondContact OH-O 3.2Å; G1338-T1340 PolarHBondContact O-N 2.67Å; G1338-T1340 VanDerWaalsContact O-N 3.08Å | ||
| 1341 | V | 69 | Low | 65.4 | Low | 43 Ų | 43 | 61.8 Ų | 61.8 | 26% | 0.261 | 36% | 0.362 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -140.3 | 128.7 | -168.2 | -169.8 | 0 | 0 | 0 | 0 | 112.2 | V1299 S1339 I1343 | V1299-V1341 WeakPolarHBondContact O-CA 3.17Å; S1339-V1341 PolarHBondContact O-N 2.8Å; S1339-V1341 PolarHBondContact OG-O 3.17Å; V1341-I1343 HydrophobicContact CG1-CG1 4.38Å |
| 1342 | G | 76 | Confident | 65.9 | Low | 0 Ų | 0 | 62.4 Ų | 62.4 | 0% | 0 | 36% | 0.362 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.2 | 141.7 | 162.4 | 0 | 0 | 0 | 0 | 0 | 110.9 | S1298 V1299 S1331 | S1298-G1342 WeakPolarHBondContact CA-O 3.47Å; V1299-G1342 PolarHBondContact N-O 2.85Å; V1299-G1342 PolarHBondContact O-N 2.95Å; S1331-G1342 CarbonylContact O-C 3.6Å; S1331-G1342 VanDerWaalsContact O-CA 3.27Å; S1331-G1342 WeakPolarHBondContact O-CA 3.11Å |
| 1343 | I | 80.4 | Confident | 66.6 | Low | 30 Ų | 30 | 63.6 Ų | 63.6 | 15% | 0.154 | 36% | 0.361 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.5 | 116.3 | -179 | -55.7 | 177 | 0 | 0 | 0 | 109.2 | P1295 I1330 S1331 D1333 V1341 R1345 | P1295-I1343 HydrophobicContact CB-CG2 3.64Å; I1330-I1343 WeakPolarHBondContact CA-O 3.31Å; S1331-I1343 PolarHBondContact N-O 3.41Å; S1331-I1343 PolarHBondContact O-N 2.84Å; S1331-I1343 PolarHBondContact OG-O 2.81Å; D1333-I1343 WeakPolarHBondContact OD2-CD1 3.12Å; V1341-I1343 HydrophobicContact CG1-CG1 4.38Å; I1343-R1345 HydrophobicContact CG2-CG 4.04Å |
| 1344 | L | 83.3 | Confident | 67.7 | Low | 2 Ų | 2 | 61.8 Ų | 61.8 | 1% | 0.01 | 35% | 0.352 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -71.9 | 127.6 | 170.3 | -168.5 | 75.5 | 0 | 0 | 0 | 108.9 | V1296 L1297 L1317 F1328 Y1329 I1330 L1363 V1378 L1380 | V1296-L1344 PolarHBondContact N-O 3.16Å; L1297-L1344 HydrophobicContact CB-CB 4.21Å; L1297-L1344 HydrophobicContact CB-CD2 4.35Å; L1297-L1344 PolarHBondContact N-O 2.79Å; L1297-L1344 WeakPolarHBondContact O-CB 3.44Å; L1297-L1344 PolarHBondContact O-N 3Å; L1317-L1344 HydrophobicContact CD1-CD1 3.93Å; L1317-L1344 HydrophobicContact CD2-CD1 3.89Å; L1317-L1344 HydrophobicContact CG-CD1 4.38Å; F1328-L1344 HydrophobicContact CB-CD1 4.19Å; F1328-L1344 HydrophobicContact CB-CG 4.33Å; Y1329-L1344 CarbonylContact O-C 3.56Å; Y1329-L1344 WeakPolarHBondContact O-CA 3.25Å; Y1329-L1344 WeakPolarHBondContact O-CD1 3.39Å; I1330-L1344 HydrophobicContact CB-CD1 4.4Å; L1344-L1363 HydrophobicContact CD1-CD2 4.06Å; L1344-L1363 HydrophobicContact CD2-CD1 4.49Å; L1344-L1363 HydrophobicContact CD2-CD2 4.49Å; L1344-V1378 HydrophobicContact CD2-CG1 4.38Å; L1344-L1380 HydrophobicContact CD2-CD1 3.82Å; L1344-L1380 HydrophobicContact CD2-CD2 4.25Å; L1344-L1380 HydrophobicContact CD2-CG 4.34Å |
| 1345 | R | 85.2 | Confident | 69.1 | Low | 64 Ų | 64 | 63.4 Ų | 63.4 | 24% | 0.242 | 35% | 0.35 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.7 | 151.4 | -174.4 | -68 | 178.9 | -174.4 | -158.6 | 10.8 | 111.8 | N1293 S1294 F1328 Y1329 S1331 D1333 I1343 | N1293-R1345 VanDerWaalsContact O-CD 3.31Å; N1293-R1345 WeakPolarHBondContact O-CD 3.38Å; N1293-R1345 WeakPolarHBondContact O-CG 3.43Å; S1294-R1345 CarbonylContact O-C 3.5Å; S1294-R1345 WeakPolarHBondContact O-CA 3.25Å; F1328-R1345 CarbonylContact C-O 3.5Å; F1328-R1345 VanDerWaalsContact CA-O 3.25Å; F1328-R1345 WeakPolarHBondContact CA-O 2.97Å; Y1329-R1345 HydrophobicContact CD1-CB 4.03Å; Y1329-R1345 HydrophobicContact CE1-CB 3.53Å; Y1329-R1345 HydrophobicContact CE2-CB 4.2Å; Y1329-R1345 PolarHBondContact N-O 2.9Å; Y1329-R1345 PolarHBondContact O-N 3Å; Y1329-R1345 VanDerWaalsContact OH-CD 3.23Å; Y1329-R1345 WeakPolarHBondContact OH-CD 2.89Å; S1331-R1345 WeakPolarHBondContact OG-CD 3.04Å; S1331-R1345 PolarHBondContact OG-NE 3.29Å; D1333-R1345 IonicContact OD1-NH2 2.83Å; D1333-R1345 PolarHBondContact OD1-NH2 2.78Å; D1333-R1345 VanDerWaalsContact OD1-NH2 3.08Å; I1343-R1345 HydrophobicContact CG2-CG 4.04Å |
| 1346 | V | 82.4 | Confident | 70.5 | Confident | 0 Ų | 0 | 61.1 Ų | 61.1 | 0% | 0 | 34% | 0.337 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -66.5 | 140.3 | 175 | 177.4 | 0 | 0 | 0 | 0 | 110.7 | V1286 A1290 P1291 N1293 S1294 V1296 F1328 Y1329 Q1348 L1350 | V1286-V1346 HydrophobicContact CG2-CG2 4.1Å; A1290-V1346 HydrophobicContact CB-CG2 4.06Å; P1291-V1346 WeakPolarHBondContact O-CB 3.49Å; N1293-V1346 WeakPolarHBondContact CA-O 3.25Å; N1293-V1346 PolarHBondContact N-O 3.36Å; S1294-V1346 PolarHBondContact O-N 2.88Å; S1294-V1346 VanDerWaalsContact OG-CG2 3.22Å; S1294-V1346 WeakPolarHBondContact OG-CG2 3.36Å; V1296-V1346 HydrophobicContact CG2-CG2 3.57Å; F1328-V1346 HydrophobicContact CD1-CG2 4.35Å; F1328-V1346 HydrophobicContact CE1-CG2 4.05Å; Y1329-V1346 WeakPolarHBondContact CE1-O 3.37Å; V1346-Q1348 WeakPolarHBondContact CG1-O 3.26Å; V1346-L1350 HydrophobicContact CG2-CD1 4.34Å |
| 1347 | K | 77.7 | Confident | 72.9 | Confident | 97 Ų | 97 | 58.2 Ų | 58.2 | 42% | 0.422 | 32% | 0.316 | S | S | . | . | trans | -115 | -25.9 | -175.8 | -176.9 | 174.1 | 158.7 | -177.7 | 0 | 113.7 | P1325 T1326 Y1327 Y1329 | P1325-K1347 PolarHBondContact O-NZ 3.19Å; T1326-K1347 WeakPolarHBondContact O-CD 3.15Å; Y1327-K1347 WeakPolarHBondContact O-CB 3.29Å; Y1327-K1347 PolarHBondContact O-N 2.88Å; Y1329-K1347 HydrophobicContact CD1-CB 4.09Å | ||
| 1348 | Q | 79.3 | Confident | 74.7 | Confident | 91 Ų | 91 | 57.8 Ų | 57.8 | 43% | 0.425 | 30% | 0.295 | S | S | . | . | S | Bend | trans | -142.8 | 149 | 176.1 | -64.4 | -170.6 | -36.5 | 0 | 0 | 107.6 | Y1327 V1346 | Y1327-Q1348 HydrophobicContact CD1-CB 4.08Å; Y1327-Q1348 HydrophobicContact CE1-CB 4.44Å; V1346-Q1348 WeakPolarHBondContact CG1-O 3.26Å |
| 1349 | R | 76.8 | Confident | 76.3 | Confident | 155 Ų | 155 | 60.9 Ų | 60.9 | 59% | 0.585 | 30% | 0.298 | S | S | * | . | trans | -56.1 | 144.8 | 175 | -72.2 | -169.7 | 177.3 | -153.5 | -1.3 | 110.1 | I1292 D2565 | I1292-R1349 HydrophobicContact CD1-CG 4.36Å; I1292-R1349 HydrophobicContact CG1-CG 4.21Å; R1349-D2565 IonicContact CZ-OD2 3.25Å; R1349-D2565 VanDerWaalsContact NH2-CG 3.28Å; R1349-D2565 IonicContact NH2-OD1 2.69Å; R1349-D2565 PolarHBondContact NH2-OD1 2.85Å; R1349-D2565 IonicContact NH2-OD2 2.85Å; R1349-D2565 PolarHBondContact NH2-OD2 2.72Å | ||
| 1350 | L | 84.8 | Confident | 77.6 | Confident | 13 Ų | 13 | 60.6 Ų | 60.6 | 7% | 0.068 | 30% | 0.299 | C | S | . | . | trans | -103.3 | 158.4 | -178.8 | -63.7 | 164.7 | 0 | 0 | 0 | 109.1 | V1286 E1288 Y1327 F1328 V1346 F1361 L1382 | V1286-L1350 HydrophobicContact CB-CD1 4.38Å; V1286-L1350 HydrophobicContact CG1-CD1 3.71Å; V1286-L1350 HydrophobicContact CG2-CD1 3.74Å; E1288-L1350 HydrophobicContact CB-CB 4.38Å; E1288-L1350 WeakPolarHBondContact O-CB 3.22Å; Y1327-L1350 HydrophobicContact CD1-CD2 3.69Å; Y1327-L1350 HydrophobicContact CE1-CD2 4.44Å; Y1327-L1350 HydrophobicContact CG-CD2 4.05Å; F1328-L1350 HydrophobicContact CE1-CD1 4.34Å; F1328-L1350 HydrophobicContact CZ-CD1 4.16Å; F1328-L1350 HydrophobicContact CZ-CD2 4.19Å; V1346-L1350 HydrophobicContact CG2-CD1 4.34Å; L1350-F1361 HydrophobicContact CD2-CE2 4.13Å; L1350-F1361 HydrophobicContact CD2-CZ 3.7Å; L1350-L1382 HydrophobicContact CB-CD1 3.99Å; L1350-L1382 HydrophobicContact CD1-CD1 4.09Å; L1350-L1382 HydrophobicContact CG-CD1 4.5Å | ||
| 1351 | D | 80.4 | Confident | 78.8 | Confident | 74 Ų | 74 | 57.8 Ų | 57.8 | 40% | 0.396 | 28% | 0.281 | S | S | . | . | trans | -151 | 122 | -173.4 | 170.6 | -20.9 | 0 | 0 | 0 | 107.4 | E1353 D1354 Q1357 L1382 | D1351-E1353 WeakPolarHBondContact OD1-CA 3.14Å; D1351-E1353 WeakPolarHBondContact OD1-CB 3.22Å; D1351-E1353 PolarHBondContact OD1-N 3.49Å; D1351-D1354 HydrophobicContact CB-CB 4.26Å; D1351-D1354 PolarHBondContact OD1-N 2.89Å; D1351-Q1357 VanDerWaalsContact O-CB 3.3Å; D1351-Q1357 WeakPolarHBondContact O-CB 3.24Å; D1351-Q1357 PolarHBondContact O-OE1 2.8Å; D1351-L1382 WeakPolarHBondContact O-CD2 3.06Å | ||
| 1352 | Y | 81.2 | Confident | 79.2 | Confident | 33 Ų | 33 | 59.2 Ų | 59.2 | 13% | 0.129 | 29% | 0.288 | C | S | . | . | S | Bend | trans | -90.5 | -24.2 | -176.9 | 174.4 | -92.3 | 0 | 0 | 0 | 113.2 | E1288 D1354 R1358 L1382 D1384 | E1288-Y1352 VanDerWaalsContact CD-CB 3.41Å; E1288-Y1352 VanDerWaalsContact OE1-CB 3.3Å; E1288-Y1352 WeakPolarHBondContact OE1-CB 3.13Å; E1288-Y1352 WeakPolarHBondContact OE2-CB 3.35Å; E1288-Y1352 PolarHBondContact OE2-N 3.33Å; Y1352-D1354 PolarHBondContact O-N 3.49Å; Y1352-R1358 HydrophobicContact CD2-CG 3.85Å; Y1352-R1358 HydrophobicContact CE2-CG 3.6Å; Y1352-R1358 HydrophobicContact CG-CG 4.43Å; Y1352-R1358 VanDerWaalsContact CZ-CZ 3.49Å; Y1352-R1358 VanDerWaalsContact CZ-NH2 3.29Å; Y1352-R1358 PolarHBondContact OH-NE 3.33Å; Y1352-R1358 PolarHBondContact OH-NH2 2.92Å; Y1352-L1382 HydrophobicContact CD2-CD2 4.3Å; Y1352-L1382 HydrophobicContact CD2-CG 4.28Å; Y1352-D1384 HydrophobicContact CD1-CB 4.04Å; Y1352-D1384 HydrophobicContact CD2-CB 4.2Å; Y1352-D1384 HydrophobicContact CE1-CB 3.64Å; Y1352-D1384 WeakPolarHBondContact CE1-OD2 3.48Å; Y1352-D1384 HydrophobicContact CE2-CB 3.85Å; Y1352-D1384 HydrophobicContact CG-CB 4.28Å; Y1352-D1384 VanDerWaalsContact CZ-CG 3.45Å; Y1352-D1384 PolarHBondContact OH-OD2 3.26Å |
| 1353 | E | 78.6 | Confident | 79.5 | Confident | 78 Ų | 78 | 59.6 Ų | 59.6 | 36% | 0.364 | 29% | 0.289 | S | S | . | . | S | Bend | trans | -63.6 | -30.2 | 169.6 | -90.4 | 39.2 | -102.5 | 0 | 0 | 111.5 | D1351 P1355 | D1351-E1353 WeakPolarHBondContact OD1-CA 3.14Å; D1351-E1353 WeakPolarHBondContact OD1-CB 3.22Å; D1351-E1353 PolarHBondContact OD1-N 3.49Å; E1353-P1355 WeakPolarHBondContact O-CD 3.41Å |
| 1354 | D | 74.1 | Confident | 79.5 | Confident | 36 Ų | 36 | 59.3 Ų | 59.3 | 19% | 0.193 | 29% | 0.289 | C | S | . | . | S | Bend | trans | -60.2 | 110.6 | 167.5 | -178.3 | 0.5 | 0 | 0 | 0 | 111.2 | D1351 Y1352 L1356 Q1357 R1358 | D1351-D1354 HydrophobicContact CB-CB 4.26Å; D1351-D1354 PolarHBondContact OD1-N 2.89Å; Y1352-D1354 PolarHBondContact O-N 3.49Å; D1354-L1356 PolarHBondContact O-N 2.84Å; D1354-L1356 WeakPolarHBondContact OD1-CB 3.48Å; D1354-L1356 PolarHBondContact OD1-N 3.24Å; D1354-Q1357 HydrophobicContact CB-CB 4.48Å; D1354-Q1357 HydrophobicContact CB-CG 4.27Å; D1354-Q1357 PolarHBondContact O-N 2.83Å; D1354-Q1357 VanDerWaalsContact O-N 3.12Å; D1354-Q1357 WeakPolarHBondContact OD2-CG 3.25Å; D1354-Q1357 PolarHBondContact OD2-NE2 3.39Å; D1354-R1358 PolarHBondContact O-N 3.5Å |
| 1355 | P | 71.5 | Confident | 79.7 | Confident | 101 Ų | 101 | 59.3 Ų | 59.3 | 66% | 0.656 | 29% | 0.289 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -62.5 | -14.1 | -179.1 | -21.8 | 35.3 | 0 | 0 | 0 | 114.5 | E1353 N1359 | E1353-P1355 WeakPolarHBondContact O-CD 3.41Å; P1355-N1359 PolarHBondContact O-ND2 3.17Å |
| 1356 | L | 73 | Confident | 79.5 | Confident | 131 Ų | 131 | 61.1 Ų | 61.1 | 69% | 0.686 | 30% | 0.296 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -77.8 | -40.7 | 175.9 | -63.2 | 174.5 | 0 | 0 | 0 | 112.3 | D1354 | D1354-L1356 PolarHBondContact O-N 2.84Å; D1354-L1356 WeakPolarHBondContact OD1-CB 3.48Å; D1354-L1356 PolarHBondContact OD1-N 3.24Å |
| 1357 | Q | 82.3 | Confident | 79.6 | Confident | 8 Ų | 8 | 61.1 Ų | 61.1 | 4% | 0.037 | 30% | 0.296 | C | S | . | . | G | 310 helix | trans | -83.4 | -30 | -172.7 | -63.2 | 178.6 | 58.7 | 0 | 0 | 112.8 | D1351 D1354 N1359 G1360 F1361 L1382 | D1351-Q1357 VanDerWaalsContact O-CB 3.3Å; D1351-Q1357 WeakPolarHBondContact O-CB 3.24Å; D1351-Q1357 PolarHBondContact O-OE1 2.8Å; D1354-Q1357 HydrophobicContact CB-CB 4.48Å; D1354-Q1357 HydrophobicContact CB-CG 4.27Å; D1354-Q1357 PolarHBondContact O-N 2.83Å; D1354-Q1357 VanDerWaalsContact O-N 3.12Å; D1354-Q1357 WeakPolarHBondContact OD2-CG 3.25Å; D1354-Q1357 PolarHBondContact OD2-NE2 3.39Å; Q1357-N1359 PolarHBondContact O-N 2.83Å; Q1357-G1360 PolarHBondContact O-N 2.78Å; Q1357-F1361 HydrophobicContact CB-CZ 4.28Å; Q1357-F1361 HydrophobicContact CG-CZ 4.45Å; Q1357-L1382 HydrophobicContact CB-CD2 3.78Å |
| 1358 | R | 76.6 | Confident | 79.5 | Confident | 114 Ų | 114 | 57.5 Ų | 57.5 | 43% | 0.43 | 28% | 0.283 | S | S | . | . | G | 310 helix | trans | -51.4 | -10 | -179.6 | -158.7 | 170.3 | -173.5 | 152.8 | 6.8 | 116.6 | Y1352 D1354 | Y1352-R1358 HydrophobicContact CD2-CG 3.85Å; Y1352-R1358 HydrophobicContact CE2-CG 3.6Å; Y1352-R1358 HydrophobicContact CG-CG 4.43Å; Y1352-R1358 VanDerWaalsContact CZ-CZ 3.49Å; Y1352-R1358 VanDerWaalsContact CZ-NH2 3.29Å; Y1352-R1358 PolarHBondContact OH-NE 3.33Å; Y1352-R1358 PolarHBondContact OH-NH2 2.92Å; D1354-R1358 PolarHBondContact O-N 3.5Å |
| 1359 | N | 77.4 | Confident | 79.3 | Confident | 123 Ų | 123 | 53.3 Ų | 53.3 | 66% | 0.658 | 26% | 0.263 | S | S | * | . | G | 310 helix | trans | -104.5 | -7.9 | -179.5 | -61.9 | -82.8 | 0 | 0 | 0 | 114.8 | P1355 Q1357 Y1379 | P1355-N1359 PolarHBondContact O-ND2 3.17Å; Q1357-N1359 PolarHBondContact O-N 2.83Å; N1359-Y1379 PolarHBondContact O-OH 3.35Å; N1359-Y1379 VanDerWaalsContact O-OH 3.08Å |
| 1360 | G | 79.2 | Confident | 78.7 | Confident | 17 Ų | 17 | 49.1 Ų | 49.1 | 18% | 0.175 | 27% | 0.268 | C | S | . | . | trans | 85.8 | -175.3 | 179 | 0 | 0 | 0 | 0 | 0 | 116 | Q1357 L1380 | Q1357-G1360 PolarHBondContact O-N 2.78Å; G1360-L1380 CarbonylContact C-O 3.56Å; G1360-L1380 WeakPolarHBondContact CA-O 3.43Å | ||
| 1361 | F | 85 | Confident | 77.7 | Confident | 3 Ų | 3 | 55.2 Ų | 55.2 | 1% | 0.013 | 29% | 0.291 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -138.8 | 135.3 | -161.3 | -46.4 | -91.7 | 0 | 0 | 0 | 113.1 | L1323 Y1327 F1328 L1350 Q1357 L1363 Y1379 L1380 | L1323-F1361 HydrophobicContact CB-CD1 3.89Å; L1323-F1361 HydrophobicContact CB-CE1 4.33Å; L1323-F1361 HydrophobicContact CD2-CD1 4.41Å; L1323-F1361 HydrophobicContact CD2-CE1 4.2Å; Y1327-F1361 HydrophobicContact CD2-CD1 4.28Å; Y1327-F1361 AromaticContact CD2-CE1 3.58Å; Y1327-F1361 HydrophobicContact CD2-CE1 3.58Å; Y1327-F1361 HydrophobicContact CD2-CZ 4.4Å; Y1327-F1361 HydrophobicContact CE2-CE1 4.19Å; Y1327-F1361 AromaticContact CG-CE1 3.96Å; Y1327-F1361 HydrophobicContact CG-CE1 3.96Å; Y1327-F1361 HydrophobicContact CG-CZ 4.41Å; F1328-F1361 HydrophobicContact CD2-CG 4.48Å; F1328-F1361 HydrophobicContact CE2-CB 4.07Å; F1328-F1361 AromaticContact CE2-CD1 3.92Å; F1328-F1361 HydrophobicContact CE2-CD1 3.92Å; F1328-F1361 AromaticContact CE2-CD2 3.53Å; F1328-F1361 HydrophobicContact CE2-CD2 3.53Å; F1328-F1361 HydrophobicContact CE2-CE1 4.21Å; F1328-F1361 AromaticContact CE2-CE2 3.84Å; F1328-F1361 HydrophobicContact CE2-CE2 3.84Å; F1328-F1361 AromaticContact CE2-CG 3.58Å; F1328-F1361 HydrophobicContact CE2-CG 3.58Å; F1328-F1361 HydrophobicContact CE2-CZ 4.17Å; F1328-F1361 AromaticContact CZ-CD2 3.82Å; F1328-F1361 HydrophobicContact CZ-CD2 3.82Å; F1328-F1361 AromaticContact CZ-CE2 3.86Å; F1328-F1361 HydrophobicContact CZ-CE2 3.86Å; F1328-F1361 HydrophobicContact CZ-CG 4.34Å; F1328-F1361 HydrophobicContact CZ-CZ 4.41Å; L1350-F1361 HydrophobicContact CD2-CE2 4.13Å; L1350-F1361 HydrophobicContact CD2-CZ 3.7Å; Q1357-F1361 HydrophobicContact CB-CZ 4.28Å; Q1357-F1361 HydrophobicContact CG-CZ 4.45Å; F1361-L1363 HydrophobicContact CB-CD1 4.35Å; F1361-Y1379 CarbonylContact O-C 3.6Å; F1361-Y1379 WeakPolarHBondContact O-CA 3.32Å; F1361-Y1379 WeakPolarHBondContact O-CD2 3.41Å; F1361-L1380 HydrophobicContact CB-CB 4.32Å; F1361-L1380 HydrophobicContact CD2-CB 4.23Å; F1361-L1380 PolarHBondContact N-O 2.9Å; F1361-L1380 PolarHBondContact O-N 2.66Å |
| 1362 | N | 77.1 | Confident | 77.3 | Confident | 74 Ų | 74 | 55.6 Ų | 55.6 | 40% | 0.396 | 29% | 0.289 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.6 | 139.8 | 172.9 | -59.1 | -50.1 | 0 | 0 | 0 | 111.5 | D1321 Y1379 | D1321-N1362 HydrophobicContact CB-CB 4.24Å; D1321-N1362 PolarHBondContact OD2-ND2 2.99Å; N1362-Y1379 WeakPolarHBondContact OD1-CD2 3.25Å |
| 1363 | L | 83.1 | Confident | 77.2 | Confident | 7 Ų | 7 | 58 Ų | 58 | 4% | 0.037 | 31% | 0.307 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -144.6 | 162.4 | 178.1 | -46.2 | 92.2 | 0 | 0 | 0 | 112.3 | L1317 F1328 L1344 F1361 V1378 L1380 | L1317-L1363 HydrophobicContact CD1-CD2 4.2Å; L1317-L1363 HydrophobicContact CD2-CB 4.26Å; L1317-L1363 HydrophobicContact CD2-CD2 4.19Å; F1328-L1363 HydrophobicContact CB-CD2 3.99Å; F1328-L1363 HydrophobicContact CD2-CD2 4.32Å; F1328-L1363 HydrophobicContact CG-CD2 4.46Å; L1344-L1363 HydrophobicContact CD1-CD2 4.06Å; L1344-L1363 HydrophobicContact CD2-CD1 4.49Å; L1344-L1363 HydrophobicContact CD2-CD2 4.49Å; F1361-L1363 HydrophobicContact CB-CD1 4.35Å; L1363-V1378 HydrophobicContact CB-CB 4.28Å; L1363-V1378 HydrophobicContact CD1-CG1 4.32Å; L1363-V1378 PolarHBondContact N-O 3.44Å; L1363-V1378 PolarHBondContact O-N 3.1Å; L1363-V1378 VanDerWaalsContact O-O 3.05Å; L1363-L1380 HydrophobicContact CD1-CD1 3.92Å; L1363-L1380 HydrophobicContact CD1-CG 3.98Å |
| 1364 | T | 81.6 | Confident | 77.3 | Confident | 24 Ų | 24 | 56 Ų | 56 | 15% | 0.147 | 30% | 0.302 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.5 | 141.9 | 172.7 | -62.6 | 0 | 0 | 0 | 0 | 109.6 | L1317 E1318 D1377 | L1317-T1364 WeakPolarHBondContact CA-O 3.5Å; L1317-T1364 WeakPolarHBondContact CD2-O 3.32Å; E1318-T1364 HydrophobicContact CB-CG2 4.45Å; E1318-T1364 PolarHBondContact N-O 2.82Å; T1364-D1377 WeakPolarHBondContact CG2-OD1 3.26Å; T1364-D1377 PolarHBondContact OG1-OD1 3.27Å |
| 1365 | V | 86.4 | Confident | 77.7 | Confident | 2 Ų | 2 | 59.3 Ų | 59.3 | 1% | 0.012 | 31% | 0.314 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.8 | 147.5 | -176 | -172 | 0 | 0 | 0 | 0 | 111.2 | F1277 V1299 Y1315 S1316 L1317 I1330 K1375 A1376 V1378 | F1277-V1365 HydrophobicContact CE1-CG1 4.42Å; F1277-V1365 HydrophobicContact CZ-CB 4.45Å; F1277-V1365 HydrophobicContact CZ-CG1 3.96Å; V1299-V1365 HydrophobicContact CG2-CG1 4.11Å; Y1315-V1365 HydrophobicContact CD1-CG1 4.44Å; S1316-V1365 CarbonylContact O-C 3.5Å; S1316-V1365 WeakPolarHBondContact O-CA 3.46Å; S1316-V1365 WeakPolarHBondContact O-CG1 3.43Å; L1317-V1365 HydrophobicContact CD2-CG2 3.89Å; I1330-V1365 HydrophobicContact CD1-CG1 3.55Å; I1330-V1365 HydrophobicContact CD1-CG2 4.17Å; V1365-K1375 CarbonylContact O-C 3.53Å; V1365-K1375 VanDerWaalsContact O-CA 3.25Å; V1365-K1375 WeakPolarHBondContact O-CA 3.26Å; V1365-A1376 PolarHBondContact N-O 3.44Å; V1365-A1376 PolarHBondContact O-N 3.22Å; V1365-V1378 HydrophobicContact CG2-CG2 3.79Å |
| 1366 | R | 82 | Confident | 78.3 | Confident | 102 Ų | 102 | 54.7 Ų | 54.7 | 39% | 0.385 | 29% | 0.285 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.4 | 146 | 174.6 | 173.3 | -173.8 | 172.2 | -155.8 | -7.2 | 110.6 | Y1315 S1316 S1374 K1375 | Y1315-R1366 CarbonylContact C-O 3.6Å; Y1315-R1366 WeakPolarHBondContact CA-O 3.38Å; S1316-R1366 PolarHBondContact N-O 3.01Å; S1316-R1366 PolarHBondContact O-N 2.82Å; S1316-R1366 PolarHBondContact OG-O 2.95Å; R1366-S1374 CarbonylContact C-O 3.51Å; R1366-S1374 WeakPolarHBondContact CA-O 3.34Å; R1366-K1375 HydrophobicContact CB-CG 4.13Å; R1366-K1375 HydrophobicContact CG-CG 4.28Å |
| 1367 | V | 83.5 | Confident | 78.6 | Confident | 0 Ų | 0 | 53 Ų | 53 | 0% | 0 | 28% | 0.277 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.8 | 154.1 | 172.5 | 71.6 | 0 | 0 | 0 | 0 | 111.7 | F1277 A1301 L1313 Q1314 Y1315 T1373 S1374 | F1277-V1367 HydrophobicContact CD2-CG1 3.89Å; F1277-V1367 HydrophobicContact CE1-CB 4.49Å; F1277-V1367 HydrophobicContact CE2-CB 3.76Å; F1277-V1367 HydrophobicContact CE2-CG1 3.42Å; F1277-V1367 VanDerWaalsContact CE2-CG1 3.42Å; F1277-V1367 HydrophobicContact CZ-CB 3.68Å; F1277-V1367 HydrophobicContact CZ-CG1 3.85Å; A1301-V1367 HydrophobicContact CB-CB 4.45Å; A1301-V1367 HydrophobicContact CB-CG1 3.98Å; A1301-V1367 HydrophobicContact CB-CG2 4.12Å; L1313-V1367 HydrophobicContact CB-CG2 4.32Å; L1313-V1367 HydrophobicContact CD2-CG2 4.29Å; Q1314-V1367 CarbonylContact O-C 3.14Å; Q1314-V1367 VanDerWaalsContact O-CA 3.26Å; Q1314-V1367 WeakPolarHBondContact O-CA 3.32Å; Q1314-V1367 WeakPolarHBondContact O-CG2 3.32Å; Y1315-V1367 HydrophobicContact CD1-CB 3.99Å; Y1315-V1367 HydrophobicContact CD1-CG2 3.87Å; Y1315-V1367 HydrophobicContact CD2-CG2 4.32Å; Y1315-V1367 HydrophobicContact CE1-CB 3.89Å; Y1315-V1367 HydrophobicContact CE1-CG2 3.54Å; Y1315-V1367 HydrophobicContact CE2-CG2 4.03Å; Y1315-V1367 HydrophobicContact CG-CG2 4.24Å; V1367-T1373 CarbonylContact O-C 3.55Å; V1367-T1373 VanDerWaalsContact O-CA 3.25Å; V1367-T1373 WeakPolarHBondContact O-CA 3.15Å; V1367-T1373 WeakPolarHBondContact O-CB 3.38Å; V1367-S1374 PolarHBondContact N-O 2.98Å; V1367-S1374 PolarHBondContact O-N 2.79Å |
| 1368 | S | 76.5 | Confident | 78.6 | Confident | 22 Ų | 22 | 53 Ų | 53 | 15% | 0.154 | 28% | 0.278 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -146.8 | 139.4 | 177.7 | -171 | 0 | 0 | 0 | 0 | 109.9 | L1313 Q1314 F1372 | L1313-S1368 CarbonylContact C-O 3.52Å; L1313-S1368 WeakPolarHBondContact CA-O 3.27Å; Q1314-S1368 PolarHBondContact N-O 3.14Å; Q1314-S1368 PolarHBondContact O-N 2.77Å; S1368-F1372 WeakPolarHBondContact CA-O 3.27Å; S1368-F1372 PolarHBondContact OG-O 2.65Å |
| 1369 | D | 74.8 | Confident | 78.9 | Confident | 2 Ų | 2 | 51 Ų | 51 | 1% | 0.011 | 27% | 0.271 | C | S | . | . | trans | -89.7 | -12.8 | 172 | 61.2 | -8 | 0 | 0 | 0 | 113.4 | P1275 V1312 L1313 R1371 F1372 | P1275-D1369 HydrophobicContact CG-CB 4.03Å; V1312-D1369 PolarHBondContact N-O 2.99Å; V1312-D1369 CarbonylContact O-C 3.56Å; V1312-D1369 VanDerWaalsContact O-C 3.26Å; V1312-D1369 WeakPolarHBondContact O-CA 3.25Å; V1312-D1369 VanDerWaalsContact O-O 3.1Å; L1313-D1369 HydrophobicContact CD2-CB 4.04Å; D1369-R1371 WeakPolarHBondContact OD1-CA 3.39Å; D1369-R1371 PolarHBondContact OD1-N 2.89Å; D1369-F1372 PolarHBondContact N-O 3.13Å; D1369-F1372 WeakPolarHBondContact OD1-CA 3.45Å; D1369-F1372 PolarHBondContact OD1-N 3.13Å; D1369-F1372 WeakPolarHBondContact OD2-CD2 3.34Å | ||
| 1370 | G | 63 | Low | 79.3 | Confident | 67 Ų | 67 | 45.2 Ų | 45.2 | 69% | 0.691 | 24% | 0.239 | S | C | * | . | S | Bend | trans | 118.9 | -15.4 | -171.8 | 0 | 0 | 0 | 0 | 0 | 113.8 | ||
| 1371 | R | 64.1 | Low | 79.3 | Confident | 141 Ų | 141 | 50.4 Ų | 50.4 | 53% | 0.532 | 25% | 0.254 | S | S | . | . | S | Bend | trans | -137.2 | -27.9 | -169.2 | -168.4 | 175.4 | 175.6 | 177 | -3.2 | 114 | N1271 D1369 | N1271-R1371 PolarHBondContact O-NH1 2.88Å; N1271-R1371 WeakPolarHBondContact OD1-CD 3.37Å; N1271-R1371 PolarHBondContact OD1-NH1 2.83Å; D1369-R1371 WeakPolarHBondContact OD1-CA 3.39Å; D1369-R1371 PolarHBondContact OD1-N 2.89Å |
| 1372 | F | 72.7 | Confident | 79.2 | Confident | 83 Ų | 83 | 50.8 Ų | 50.8 | 36% | 0.364 | 26% | 0.256 | S | S | . | . | trans | -141.6 | 167.2 | -175.4 | -57 | -73.7 | 0 | 0 | 0 | 110.7 | N1273 A1274 S1368 D1369 | N1273-F1372 WeakPolarHBondContact O-CD2 3.45Å; N1273-F1372 WeakPolarHBondContact O-CE2 3.5Å; A1274-F1372 HydrophobicContact CB-CB 3.7Å; A1274-F1372 HydrophobicContact CB-CD1 4.32Å; A1274-F1372 HydrophobicContact CB-CD2 3.68Å; A1274-F1372 HydrophobicContact CB-CE2 4.33Å; A1274-F1372 HydrophobicContact CB-CG 3.65Å; S1368-F1372 WeakPolarHBondContact CA-O 3.27Å; S1368-F1372 PolarHBondContact OG-O 2.65Å; D1369-F1372 PolarHBondContact N-O 3.13Å; D1369-F1372 WeakPolarHBondContact OD1-CA 3.45Å; D1369-F1372 PolarHBondContact OD1-N 3.13Å; D1369-F1372 WeakPolarHBondContact OD2-CD2 3.34Å | ||
| 1373 | T | 78.2 | Confident | 79.1 | Confident | 82 Ų | 82 | 50.9 Ų | 50.9 | 50% | 0.503 | 26% | 0.256 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -152.2 | 157.7 | -169.7 | 61.8 | 0 | 0 | 0 | 0 | 115.5 | V1367 | V1367-T1373 CarbonylContact O-C 3.55Å; V1367-T1373 VanDerWaalsContact O-CA 3.25Å; V1367-T1373 WeakPolarHBondContact O-CA 3.15Å; V1367-T1373 WeakPolarHBondContact O-CB 3.38Å |
| 1374 | S | 81.3 | Confident | 78.7 | Confident | 38 Ų | 38 | 53.3 Ų | 53.3 | 27% | 0.266 | 27% | 0.269 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -149.5 | 174.9 | 177.1 | -161.2 | 0 | 0 | 0 | 0 | 113.7 | R1366 V1367 | R1366-S1374 CarbonylContact C-O 3.51Å; R1366-S1374 WeakPolarHBondContact CA-O 3.34Å; V1367-S1374 PolarHBondContact N-O 2.98Å; V1367-S1374 PolarHBondContact O-N 2.79Å |
| 1375 | K | 83.2 | Confident | 78.1 | Confident | 104 Ų | 104 | 55 Ų | 55 | 45% | 0.452 | 28% | 0.275 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -147.3 | 158.4 | -173.8 | -65 | -171.2 | 176.1 | -171.8 | 0 | 115.9 | E1318 V1365 R1366 | E1318-K1375 IonicContact OE1-NZ 3.6Å; E1318-K1375 PolarHBondContact OE1-NZ 3.48Å; E1318-K1375 WeakPolarHBondContact OE2-CE 3.14Å; E1318-K1375 IonicContact OE2-NZ 2.67Å; E1318-K1375 PolarHBondContact OE2-NZ 3.29Å; V1365-K1375 CarbonylContact O-C 3.53Å; V1365-K1375 VanDerWaalsContact O-CA 3.25Å; V1365-K1375 WeakPolarHBondContact O-CA 3.26Å; R1366-K1375 HydrophobicContact CB-CG 4.13Å; R1366-K1375 HydrophobicContact CG-CG 4.28Å |
| 1376 | A | 82.7 | Confident | 77.2 | Confident | 5 Ų | 5 | 57.1 Ų | 57.1 | 4% | 0.041 | 29% | 0.286 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -156.3 | 157.4 | 176.1 | 0 | 0 | 0 | 0 | 0 | 113.7 | F1277 S1280 Y1282 V1365 | F1277-A1376 HydrophobicContact CB-CB 4.46Å; F1277-A1376 HydrophobicContact CD1-CB 4.18Å; F1277-A1376 HydrophobicContact CD2-CB 4.09Å; F1277-A1376 HydrophobicContact CE1-CB 4.42Å; F1277-A1376 HydrophobicContact CE2-CB 4.33Å; F1277-A1376 HydrophobicContact CG-CB 4.01Å; F1277-A1376 HydrophobicContact CZ-CB 4.49Å; S1280-A1376 WeakPolarHBondContact O-CA 3.48Å; S1280-A1376 WeakPolarHBondContact O-CB 3.41Å; Y1282-A1376 HydrophobicContact CE2-CB 4.14Å; V1365-A1376 PolarHBondContact N-O 3.44Å; V1365-A1376 PolarHBondContact O-N 3.22Å |
| 1377 | D | 79 | Confident | 76.5 | Confident | 95 Ų | 95 | 56.6 Ų | 56.6 | 51% | 0.508 | 29% | 0.291 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.7 | 155.7 | -178.6 | -67.2 | -44.9 | 0 | 0 | 0 | 114.5 | S1281 Y1282 T1364 | S1281-D1377 CarbonylContact C-O 3.33Å; S1281-D1377 VanDerWaalsContact CA-O 3.28Å; S1281-D1377 WeakPolarHBondContact CA-O 2.95Å; Y1282-D1377 PolarHBondContact N-O 3.04Å; T1364-D1377 WeakPolarHBondContact CG2-OD1 3.26Å; T1364-D1377 PolarHBondContact OG1-OD1 3.27Å |
| 1378 | V | 84 | Confident | 75.9 | Confident | 9 Ų | 9 | 58 Ų | 58 | 6% | 0.055 | 30% | 0.298 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -143.4 | 140.5 | -173.4 | -176.1 | 0 | 0 | 0 | 0 | 113.4 | Y1282 L1297 L1344 L1363 V1365 L1380 | Y1282-V1378 WeakPolarHBondContact O-CA 3.3Å; L1297-V1378 HydrophobicContact CD2-CG1 3.53Å; L1297-V1378 HydrophobicContact CD2-CG2 4.37Å; L1344-V1378 HydrophobicContact CD2-CG1 4.38Å; L1363-V1378 HydrophobicContact CB-CB 4.28Å; L1363-V1378 HydrophobicContact CD1-CG1 4.32Å; L1363-V1378 PolarHBondContact N-O 3.44Å; L1363-V1378 PolarHBondContact O-N 3.1Å; L1363-V1378 VanDerWaalsContact O-O 3.05Å; V1365-V1378 HydrophobicContact CG2-CG2 3.79Å; V1378-L1380 HydrophobicContact CG1-CD2 4.44Å |
| 1379 | Y | 81.6 | Confident | 75.7 | Confident | 72 Ų | 72 | 59.6 Ų | 59.6 | 28% | 0.282 | 31% | 0.314 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.6 | 142.8 | 166.1 | 176.6 | -123.3 | 0 | 0 | 0 | 112 | Y1282 E1283 G1284 N1359 F1361 N1362 R1381 | Y1282-Y1379 PolarHBondContact O-N 2.96Å; E1283-Y1379 CarbonylContact C-O 3.45Å; E1283-Y1379 WeakPolarHBondContact CA-O 3.31Å; E1283-Y1379 HydrophobicContact CG-CD1 4.13Å; G1284-Y1379 PolarHBondContact N-O 3.34Å; N1359-Y1379 PolarHBondContact O-OH 3.35Å; N1359-Y1379 VanDerWaalsContact O-OH 3.08Å; F1361-Y1379 CarbonylContact O-C 3.6Å; F1361-Y1379 WeakPolarHBondContact O-CA 3.32Å; F1361-Y1379 WeakPolarHBondContact O-CD2 3.41Å; N1362-Y1379 WeakPolarHBondContact OD1-CD2 3.25Å; Y1379-R1381 HydrophobicContact CD1-CG 4.36Å; Y1379-R1381 HydrophobicContact CE1-CG 3.63Å |
| 1380 | L | 86 | Confident | 76 | Confident | 0 Ų | 0 | 59.6 Ų | 59.6 | 0% | 0 | 31% | 0.313 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.9 | 145.2 | 177.7 | -61.5 | -179.7 | 0 | 0 | 0 | 111.9 | G1284 V1296 F1328 L1344 G1360 F1361 L1363 V1378 | G1284-L1380 WeakPolarHBondContact O-CA 3.3Å; V1296-L1380 HydrophobicContact CG1-CD1 3.93Å; V1296-L1380 HydrophobicContact CG1-CD2 3.67Å; V1296-L1380 HydrophobicContact CG1-CG 4.44Å; F1328-L1380 HydrophobicContact CD1-CD1 3.88Å; F1328-L1380 HydrophobicContact CD2-CD1 3.93Å; F1328-L1380 HydrophobicContact CE1-CD1 3.65Å; F1328-L1380 HydrophobicContact CE2-CD1 3.74Å; F1328-L1380 HydrophobicContact CG-CD1 4.02Å; F1328-L1380 HydrophobicContact CZ-CD1 3.6Å; L1344-L1380 HydrophobicContact CD2-CD1 3.82Å; L1344-L1380 HydrophobicContact CD2-CD2 4.25Å; L1344-L1380 HydrophobicContact CD2-CG 4.34Å; G1360-L1380 CarbonylContact C-O 3.56Å; G1360-L1380 WeakPolarHBondContact CA-O 3.43Å; F1361-L1380 HydrophobicContact CB-CB 4.32Å; F1361-L1380 HydrophobicContact CD2-CB 4.23Å; F1361-L1380 PolarHBondContact N-O 2.9Å; F1361-L1380 PolarHBondContact O-N 2.66Å; L1363-L1380 HydrophobicContact CD1-CD1 3.92Å; L1363-L1380 HydrophobicContact CD1-CG 3.98Å; V1378-L1380 HydrophobicContact CG1-CD2 4.44Å |
| 1381 | R | 80 | Confident | 76.7 | Confident | 126 Ų | 126 | 60.7 Ų | 60.7 | 48% | 0.475 | 30% | 0.301 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.6 | 142.7 | 170.9 | -44.9 | -179.7 | -165.8 | -179.6 | 2.7 | 111.2 | E1283 G1284 T1285 V1286 Y1379 | E1283-R1381 IonicContact OE1-CZ 3.98Å; E1283-R1381 VanDerWaalsContact OE1-CZ 3.26Å; E1283-R1381 IonicContact OE1-NE 2.7Å; E1283-R1381 PolarHBondContact OE1-NE 2.81Å; E1283-R1381 IonicContact OE1-NH2 3.17Å; E1283-R1381 PolarHBondContact OE1-NH2 2.83Å; E1283-R1381 IonicContact OE2-NH2 3.65Å; G1284-R1381 PolarHBondContact O-N 2.74Å; G1284-R1381 VanDerWaalsContact O-N 3.09Å; T1285-R1381 CarbonylContact C-O 3.58Å; T1285-R1381 VanDerWaalsContact CA-O 3.31Å; T1285-R1381 WeakPolarHBondContact CA-O 3.38Å; T1285-R1381 HydrophobicContact CG2-CB 4.28Å; V1286-R1381 PolarHBondContact N-O 2.88Å; Y1379-R1381 HydrophobicContact CD1-CG 4.36Å; Y1379-R1381 HydrophobicContact CE1-CG 3.63Å |
| 1382 | L | 83 | Confident | 77.6 | Confident | 12 Ų | 12 | 55 Ų | 55 | 6% | 0.063 | 28% | 0.28 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.1 | 149.8 | 173.7 | -170 | 61 | 0 | 0 | 0 | 111.3 | V1286 E1288 L1350 D1351 Y1352 Q1357 | V1286-L1382 HydrophobicContact CG1-CD1 4.05Å; V1286-L1382 CarbonylContact O-C 3.57Å; V1286-L1382 WeakPolarHBondContact O-CA 3.18Å; E1288-L1382 HydrophobicContact CB-CD1 4.08Å; L1350-L1382 HydrophobicContact CB-CD1 3.99Å; L1350-L1382 HydrophobicContact CD1-CD1 4.09Å; L1350-L1382 HydrophobicContact CG-CD1 4.5Å; D1351-L1382 WeakPolarHBondContact O-CD2 3.06Å; Y1352-L1382 HydrophobicContact CD2-CD2 4.3Å; Y1352-L1382 HydrophobicContact CD2-CG 4.28Å; Q1357-L1382 HydrophobicContact CB-CD2 3.78Å |
| 1383 | L | 75.3 | Confident | 77.6 | Confident | 76 Ų | 76 | 53.1 Ų | 53.1 | 40% | 0.398 | 28% | 0.275 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.2 | 135.3 | 177.5 | -61.2 | 176.4 | 0 | 0 | 0 | 111.6 | V1286 E1288 | V1286-L1383 PolarHBondContact O-N 2.99Å; E1288-L1383 PolarHBondContact N-O 3.08Å; E1288-L1383 VanDerWaalsContact N-O 3.17Å |
| 1384 | D | 73.1 | Confident | 77.4 | Confident | 57 Ų | 57 | 55.6 Ų | 55.6 | 31% | 0.305 | 29% | 0.285 | S | S | . | . | trans | -65.2 | 121.1 | 174.1 | -161.2 | -39 | 0 | 0 | 0 | 110.5 | E1288 Y1352 A1421 | E1288-D1384 WeakPolarHBondContact OE1-CA 3.28Å; Y1352-D1384 HydrophobicContact CD1-CB 4.04Å; Y1352-D1384 HydrophobicContact CD2-CB 4.2Å; Y1352-D1384 HydrophobicContact CE1-CB 3.64Å; Y1352-D1384 WeakPolarHBondContact CE1-OD2 3.48Å; Y1352-D1384 HydrophobicContact CE2-CB 3.85Å; Y1352-D1384 HydrophobicContact CG-CB 4.28Å; Y1352-D1384 VanDerWaalsContact CZ-CG 3.45Å; Y1352-D1384 PolarHBondContact OH-OD2 3.26Å; D1384-A1421 WeakPolarHBondContact OD1-CB 3.44Å; D1384-A1421 WeakPolarHBondContact OD2-CB 3.43Å | ||
| 1385 | E | 70.4 | Confident | 77.3 | Confident | 60 Ų | 60 | 55 Ų | 55 | 28% | 0.28 | 28% | 0.281 | S | S | . | . | trans | -127.9 | 143.8 | 174.6 | -65.1 | -78.9 | 147.1 | 0 | 0 | 111.6 | K1287 E1288 T1289 D1387 | K1287-E1385 HydrophobicContact CB-CG 4.13Å; K1287-E1385 HydrophobicContact CD-CG 3.93Å; K1287-E1385 VanDerWaalsContact CD-OE1 3.3Å; K1287-E1385 WeakPolarHBondContact CD-OE1 3.21Å; K1287-E1385 WeakPolarHBondContact CE-OE1 3.29Å; K1287-E1385 HydrophobicContact CG-CG 4.1Å; K1287-E1385 IonicContact NZ-OE1 3.74Å; K1287-E1385 PolarHBondContact NZ-OE1 2.04Å; K1287-E1385 IonicContact NZ-OE2 2.72Å; K1287-E1385 PolarHBondContact NZ-OE2 3.29Å; E1288-E1385 PolarHBondContact OE1-N 3.13Å; T1289-E1385 HydrophobicContact CG2-CB 4.28Å; E1385-D1387 PolarHBondContact O-N 2.92Å | ||
| 1386 | N | 66.2 | Low | 76.9 | Confident | 46 Ų | 46 | 52.1 Ų | 52.1 | 25% | 0.246 | 27% | 0.272 | C | S | . | . | trans | -82.7 | 78.3 | -171.8 | -168.3 | 118.7 | 0 | 0 | 0 | 111.4 | D1420 D1471 A1473 N1475 | N1386-D1420 WeakPolarHBondContact CA-OD2 3.19Å; N1386-D1420 HydrophobicContact CB-CB 4.36Å; N1386-D1420 PolarHBondContact ND2-OD2 2.9Å; N1386-D1420 VanDerWaalsContact ND2-OD2 3.11Å; N1386-D1471 PolarHBondContact ND2-OD2 3.21Å; N1386-A1473 HydrophobicContact CB-CB 4.29Å; N1386-A1473 WeakPolarHBondContact ND2-CB 3.35Å; N1386-A1473 WeakPolarHBondContact O-CB 3.31Å; N1386-N1475 PolarHBondContact ND2-ND2 2.83Å; N1386-N1475 PolarHBondContact O-ND2 2.84Å | ||
| 1387 | D | 66.8 | Low | 76.7 | Confident | 91 Ų | 91 | 57.8 Ų | 57.8 | 49% | 0.487 | 30% | 0.298 | S | S | . | . | trans | -103.2 | -7.3 | -174.7 | 93.1 | -16.5 | 0 | 0 | 0 | 115.9 | T1289 E1385 D1420 | T1289-D1387 HydrophobicContact CG2-CB 4.41Å; E1385-D1387 PolarHBondContact O-N 2.92Å; D1387-D1420 PolarHBondContact N-OD2 2.99Å | ||
| 1388 | N | 71.2 | Confident | 76.7 | Confident | 29 Ų | 29 | 58.9 Ų | 58.9 | 16% | 0.155 | 30% | 0.301 | C | S | . | . | S | Bend | trans | -85.2 | 150.7 | 176.9 | -71.4 | -95.6 | 0 | 0 | 0 | 111.7 | K1419 D1420 N1475 | N1388-K1419 HydrophobicContact CB-CB 4.21Å; N1388-K1419 WeakPolarHBondContact OD1-CD 3.16Å; N1388-K1419 PolarHBondContact OD1-NZ 3.02Å; N1388-D1420 VanDerWaalsContact CB-OD1 3.24Å; N1388-D1420 WeakPolarHBondContact CB-OD1 3.17Å; N1388-D1420 PolarHBondContact N-OD1 3.01Å; N1388-D1420 PolarHBondContact N-OD2 2.94Å; N1388-D1420 PolarHBondContact ND2-OD1 2.98Å; N1388-N1475 WeakPolarHBondContact O-CB 3.12Å; N1388-N1475 PolarHBondContact O-ND2 2.63Å |
| 1389 | A | 73.2 | Confident | 76.9 | Confident | 57 Ų | 57 | 59.9 Ų | 59.9 | 47% | 0.471 | 31% | 0.307 | S | S | . | . | P | Polyproline II helix | trans | -94 | 141.3 | 178.8 | 0 | 0 | 0 | 0 | 0 | 112.3 | E1391 N1475 | A1389-E1391 PolarHBondContact O-N 3.46Å; A1389-N1475 HydrophobicContact CB-CB 4.2Å |
| 1390 | P | 81.3 | Confident | 77 | Confident | 1 Ų | 1 | 59.4 Ų | 59.4 | 1% | 0.006 | 31% | 0.314 | C | S | . | . | P | Polyproline II helix | trans | -69.4 | 125 | -177.4 | 28 | -37.4 | 0 | 0 | 0 | 112.2 | V1416 D1418 F1426 V1469 D1471 N1475 G1477 | P1390-V1416 HydrophobicContact CB-CG1 3.87Å; P1390-D1418 WeakPolarHBondContact CA-OD2 3.43Å; P1390-D1418 WeakPolarHBondContact CB-OD2 3.44Å; P1390-F1426 HydrophobicContact CB-CD1 3.76Å; P1390-F1426 HydrophobicContact CB-CE1 3.67Å; P1390-F1426 HydrophobicContact CG-CD1 4.4Å; P1390-V1469 HydrophobicContact CB-CG1 4.39Å; P1390-V1469 HydrophobicContact CG-CG1 4.17Å; P1390-D1471 HydrophobicContact CB-CB 4.41Å; P1390-D1471 HydrophobicContact CG-CB 3.98Å; P1390-N1475 WeakPolarHBondContact CD-O 3.41Å; P1390-G1477 WeakPolarHBondContact O-CA 3.16Å |
| 1391 | E | 77.2 | Confident | 77.1 | Confident | 91 Ų | 91 | 59.9 Ų | 59.9 | 43% | 0.425 | 32% | 0.317 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.1 | 127.3 | -171.6 | -170.4 | -165.1 | 143.7 | 0 | 0 | 112.4 | A1389 V1393 V1416 R1417 | A1389-E1391 PolarHBondContact O-N 3.46Å; E1391-V1393 PolarHBondContact O-N 2.71Å; E1391-V1416 CarbonylContact O-C 3.48Å; E1391-V1416 VanDerWaalsContact O-CA 3.28Å; E1391-V1416 WeakPolarHBondContact O-CA 3.4Å; E1391-V1416 WeakPolarHBondContact O-CG1 3.39Å; E1391-R1417 HydrophobicContact CB-CG 3.98Å; E1391-R1417 PolarHBondContact N-O 3.39Å; E1391-R1417 PolarHBondContact O-N 2.84Å; E1391-R1417 IonicContact OE1-CZ 2.72Å; E1391-R1417 VanDerWaalsContact OE1-CZ 3.27Å; E1391-R1417 IonicContact OE1-NE 2.78Å; E1391-R1417 PolarHBondContact OE1-NE 2.79Å; E1391-R1417 IonicContact OE1-NH2 2.67Å; E1391-R1417 PolarHBondContact OE1-NH2 2.87Å; E1391-R1417 IonicContact OE2-CZ 2.62Å; E1391-R1417 IonicContact OE2-NE 3.92Å; E1391-R1417 PolarHBondContact OE2-NE 3.46Å; E1391-R1417 IonicContact OE2-NH2 3.29Å; E1391-R1417 PolarHBondContact OE2-NH2 2.85Å |
| 1392 | F | 83.3 | Confident | 77.4 | Confident | 21 Ų | 21 | 59.3 Ų | 59.3 | 9% | 0.092 | 32% | 0.315 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -65.4 | 128.4 | 176 | -78.6 | -84.8 | 0 | 0 | 0 | 112.8 | P1395 F1414 R1415 F1428 I1467 V1469 Q1479 | F1392-P1395 HydrophobicContact CB-CB 4.1Å; F1392-P1395 HydrophobicContact CB-CG 3.92Å; F1392-F1414 HydrophobicContact CD1-CB 4.06Å; F1392-F1414 AromaticContact CD1-CD1 3.85Å; F1392-F1414 HydrophobicContact CD1-CD1 3.85Å; F1392-F1414 HydrophobicContact CD1-CG 4.24Å; F1392-F1414 HydrophobicContact CE1-CB 3.9Å; F1392-F1414 AromaticContact CE1-CD1 3.82Å; F1392-F1414 HydrophobicContact CE1-CD1 3.82Å; F1392-F1414 AromaticContact CE1-CG 3.93Å; F1392-F1414 HydrophobicContact CE1-CG 3.93Å; F1392-R1415 WeakPolarHBondContact CA-O 3.43Å; F1392-F1428 HydrophobicContact CE1-CD1 4.18Å; F1392-F1428 AromaticContact CE1-CE1 3.8Å; F1392-F1428 HydrophobicContact CE1-CE1 3.8Å; F1392-F1428 HydrophobicContact CZ-CE1 4.46Å; F1392-I1467 HydrophobicContact CZ-CG2 4.24Å; F1392-V1469 HydrophobicContact CD2-CG1 3.91Å; F1392-V1469 HydrophobicContact CE1-CB 4.19Å; F1392-V1469 HydrophobicContact CE1-CG1 4.12Å; F1392-V1469 HydrophobicContact CE2-CB 4.07Å; F1392-V1469 HydrophobicContact CE2-CG1 3.42Å; F1392-V1469 VanDerWaalsContact CE2-CG1 3.42Å; F1392-V1469 HydrophobicContact CG-CG1 4.44Å; F1392-V1469 HydrophobicContact CZ-CB 3.68Å; F1392-V1469 HydrophobicContact CZ-CG1 3.54Å; F1392-Q1479 HydrophobicContact CD1-CB 4.47Å; F1392-Q1479 HydrophobicContact CD2-CB 3.74Å; F1392-Q1479 HydrophobicContact CE1-CB 4.44Å; F1392-Q1479 HydrophobicContact CE2-CB 3.72Å; F1392-Q1479 HydrophobicContact CG-CB 4.13Å; F1392-Q1479 HydrophobicContact CZ-CB 4.08Å |
| 1393 | V | 73.1 | Confident | 77.5 | Confident | 43 Ų | 43 | 59.6 Ų | 59.6 | 26% | 0.261 | 32% | 0.316 | S | S | . | . | S | Bend | trans | -99.5 | 119.7 | 178.7 | -178 | 0 | 0 | 0 | 0 | 110.8 | E1391 R1415 R1417 | E1391-V1393 PolarHBondContact O-N 2.71Å; V1393-R1415 HydrophobicContact CB-CB 3.98Å; V1393-R1415 PolarHBondContact N-O 3.02Å; V1393-R1417 HydrophobicContact CG2-CB 3.99Å; V1393-R1417 HydrophobicContact CG2-CG 3.89Å |
| 1394 | D | 73.8 | Confident | 77.7 | Confident | 134 Ų | 134 | 60.3 Ų | 60.3 | 72% | 0.717 | 32% | 0.32 | S | S | * | . | S | Bend | trans | 50.9 | 46.6 | -179.3 | -50.3 | -41.5 | 0 | 0 | 0 | 115.7 | R1415 | D1394-R1415 IonicContact OD2-NH1 3.18Š|
| 1395 | P | 78.5 | Confident | 78.1 | Confident | 27 Ų | 27 | 58 Ų | 58 | 18% | 0.175 | 31% | 0.309 | C | S | . | . | trans | -73 | 139.1 | -171.7 | 31.6 | -37 | 0 | 0 | 0 | 113.7 | F1392 F1414 Q1479 | F1392-P1395 HydrophobicContact CB-CB 4.1Å; F1392-P1395 HydrophobicContact CB-CG 3.92Å; P1395-F1414 HydrophobicContact CB-CD1 3.94Å; P1395-F1414 HydrophobicContact CB-CE1 4.04Å; P1395-Q1479 HydrophobicContact CB-CG 3.76Å; P1395-Q1479 HydrophobicContact CG-CG 4.24Å | ||
| 1396 | P | 76.3 | Confident | 77.9 | Confident | 42 Ų | 42 | 59.5 Ų | 59.5 | 27% | 0.273 | 32% | 0.324 | S | S | . | . | trans | -71.2 | 133.6 | 174.5 | 27.2 | -32.9 | 0 | 0 | 0 | 112.2 | V1412 F1414 Q1479 L1481 | P1396-V1412 HydrophobicContact CB-CG1 4.22Å; P1396-V1412 HydrophobicContact CG-CB 3.82Å; P1396-V1412 HydrophobicContact CG-CG1 3.86Å; P1396-V1412 HydrophobicContact CG-CG2 4.13Å; P1396-F1414 HydrophobicContact CG-CE1 4.04Å; P1396-F1414 HydrophobicContact CG-CZ 4.27Å; P1396-Q1479 PolarHBondContact O-NE2 2.94Å; P1396-L1481 HydrophobicContact CB-CD1 4.32Å; P1396-L1481 HydrophobicContact CG-CD1 4.45Å; P1396-L1481 VanDerWaalsContact O-CD1 3.3Å; P1396-L1481 WeakPolarHBondContact O-CD1 3.41Å | ||
| 1397 | H | 77 | Confident | 77.9 | Confident | 124 Ų | 124 | 61.4 Ų | 61.4 | 57% | 0.574 | 34% | 0.337 | S | S | * | . | trans | -95.3 | -26.2 | 179.7 | -63.2 | -75.9 | 0 | 0 | 0 | 114.7 | Q1479 V1482 | H1397-Q1479 PolarHBondContact CE1-NE2 3.27Å; H1397-Q1479 PolarHBondContact ND1-NE2 3.15Å; H1397-Q1479 VanDerWaalsContact ND1-NE2 3.13Å; H1397-V1482 PolarHBondContact O-N 2.81Å | ||
| 1398 | M | 79.6 | Confident | 78 | Confident | 118 Ų | 118 | 59.5 Ų | 59.5 | 58% | 0.581 | 34% | 0.339 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -147 | 143.8 | -178.8 | -170.3 | 179.1 | -62 | 0 | 0 | 112.4 | V1482 N1484 | M1398-V1482 CarbonylContact C-O 3.54Å; M1398-V1482 VanDerWaalsContact CA-O 3.3Å; M1398-V1482 WeakPolarHBondContact CA-O 3.36Å; M1398-V1482 HydrophobicContact CB-CB 4.39Å; M1398-V1482 HydrophobicContact CE-CB 4.3Å; M1398-V1482 HydrophobicContact CE-CG1 4.29Å; M1398-V1482 HydrophobicContact CG-CB 4.11Å; M1398-V1482 HydrophobicContact CG-CG1 4.41Å; M1398-N1484 PolarHBondContact SD-ND2 3.21Å; M1398-N1484 VanDerWaalsContact SD-ND2 3.45Å |
| 1399 | V | 87.5 | Confident | 78.4 | Confident | 30 Ų | 30 | 64.9 Ų | 64.9 | 18% | 0.182 | 36% | 0.357 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -143.2 | 161.6 | 174.4 | 65.6 | 0 | 0 | 0 | 0 | 109.7 | V1411 V1412 L1481 V1482 V1483 N1484 | V1399-V1411 HydrophobicContact CG1-CG1 3.66Å; V1399-V1411 HydrophobicContact CG2-CG1 4.35Å; V1399-V1412 HydrophobicContact CB-CG1 4.31Å; V1399-V1412 HydrophobicContact CG1-CG1 4.48Å; V1399-V1412 HydrophobicContact CG2-CG1 4.42Å; V1399-L1481 HydrophobicContact CG1-CD1 4.16Å; V1399-L1481 HydrophobicContact CG1-CD2 4.18Å; V1399-L1481 HydrophobicContact CG1-CG 4.31Å; V1399-V1482 PolarHBondContact N-O 2.91Å; V1399-V1483 HydrophobicContact CG1-CB 4.2Å; V1399-V1483 HydrophobicContact CG1-CG1 4.13Å; V1399-V1483 HydrophobicContact CG1-CG2 3.75Å; V1399-N1484 PolarHBondContact O-N 2.97Å |
| 1400 | S | 84.1 | Confident | 78.8 | Confident | 62 Ų | 62 | 66.3 Ų | 66.3 | 43% | 0.434 | 36% | 0.356 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -138.4 | 133.8 | 176.5 | -55.5 | 0 | 0 | 0 | 0 | 110.7 | N1484 | S1400-N1484 WeakPolarHBondContact CA-O 3.41Å; S1400-N1484 PolarHBondContact OG-ND2 3.2Å |
| 1401 | I | 89.3 | Confident | 79 | Confident | 11 Ų | 11 | 67.1 Ų | 67.1 | 6% | 0.056 | 36% | 0.362 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.7 | 151.4 | -175.9 | 60.3 | -176.8 | 0 | 0 | 0 | 108.9 | F1440 V1451 L1455 V1483 N1484 L1485 I1486 | I1401-F1440 HydrophobicContact CD1-CE1 3.87Å; I1401-F1440 HydrophobicContact CD1-CZ 4.07Å; I1401-V1451 HydrophobicContact CD1-CG2 4.15Å; I1401-L1455 HydrophobicContact CD1-CD1 3.44Å; I1401-L1455 VanDerWaalsContact CD1-CD1 3.44Å; I1401-L1455 HydrophobicContact CG1-CD1 4.2Å; I1401-V1483 HydrophobicContact CD1-CG1 3.6Å; I1401-V1483 HydrophobicContact CG1-CG1 3.81Å; I1401-N1484 PolarHBondContact N-O 2.72Å; I1401-L1485 HydrophobicContact CD1-CD2 4.1Å; I1401-L1485 HydrophobicContact CG1-CD2 3.69Å; I1401-L1485 CarbonylContact O-C 3.25Å; I1401-L1485 VanDerWaalsContact O-CA 3.31Å; I1401-L1485 WeakPolarHBondContact O-CA 3.3Å; I1401-I1486 PolarHBondContact O-N 3.48Å |
| 1402 | R | 85.9 | Confident | 79.5 | Confident | 113 Ų | 113 | 63.7 Ų | 63.7 | 43% | 0.426 | 35% | 0.347 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -73.7 | 150.7 | 169.3 | -67.6 | 162.4 | 57.9 | 87.1 | -0.6 | 109.3 | D1404 A1405 I1486 V1488 | R1402-D1404 VanDerWaalsContact C-N 3.28Å; R1402-D1404 WeakPolarHBondContact CB-OD1 3.35Å; R1402-D1404 IonicContact CZ-OD1 2.69Å; R1402-D1404 IonicContact CZ-OD2 2.96Å; R1402-D1404 IonicContact NE-OD1 3.83Å; R1402-D1404 PolarHBondContact NE-OD1 3.39Å; R1402-D1404 IonicContact NE-OD2 3.21Å; R1402-D1404 PolarHBondContact NE-OD2 3.42Å; R1402-D1404 IonicContact NH2-OD1 3.48Å; R1402-D1404 IonicContact NH2-OD2 2.66Å; R1402-D1404 PolarHBondContact NH2-OD2 3.01Å; R1402-D1404 PolarHBondContact O-N 2.93Å; R1402-A1405 WeakPolarHBondContact O-CB 3.31Å; R1402-A1405 PolarHBondContact O-N 3.13Å; R1402-A1405 VanDerWaalsContact O-N 3.16Å; R1402-I1486 HydrophobicContact CG-CB 4.11Å; R1402-I1486 HydrophobicContact CG-CG2 4.38Å; R1402-V1488 HydrophobicContact CB-CG2 4.39Å |
| 1403 | E | 85.1 | Confident | 79.2 | Confident | 18 Ų | 18 | 69 Ų | 69 | 8% | 0.084 | 37% | 0.366 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -66.3 | -30.9 | 173.5 | 66.5 | -151.6 | 114.6 | 0 | 0 | 112.8 | A1405 L1455 R1457 L1485 D1487 V1488 | E1403-A1405 PolarHBondContact O-N 3.24Å; E1403-L1455 HydrophobicContact CB-CB 4.22Å; E1403-R1457 WeakPolarHBondContact OE2-CB 3.14Å; E1403-R1457 PolarHBondContact OE2-N 2.88Å; E1403-L1485 HydrophobicContact CB-CD1 4.15Å; E1403-D1487 WeakPolarHBondContact OE1-CA 3.45Å; E1403-V1488 HydrophobicContact CG-CB 4.17Å; E1403-V1488 HydrophobicContact CG-CG2 4.05Å; E1403-V1488 PolarHBondContact OE1-N 2.88Å |
| 1404 | D | 79.7 | Confident | 79.8 | Confident | 91 Ų | 91 | 67.4 Ų | 67.4 | 49% | 0.487 | 36% | 0.356 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -67.9 | 10.8 | 170.4 | 83 | -16.2 | 0 | 0 | 0 | 114.8 | R1402 | R1402-D1404 VanDerWaalsContact C-N 3.28Å; R1402-D1404 WeakPolarHBondContact CB-OD1 3.35Å; R1402-D1404 IonicContact CZ-OD1 2.69Å; R1402-D1404 IonicContact CZ-OD2 2.96Å; R1402-D1404 IonicContact NE-OD1 3.83Å; R1402-D1404 PolarHBondContact NE-OD1 3.39Å; R1402-D1404 IonicContact NE-OD2 3.21Å; R1402-D1404 PolarHBondContact NE-OD2 3.42Å; R1402-D1404 IonicContact NH2-OD1 3.48Å; R1402-D1404 IonicContact NH2-OD2 2.66Å; R1402-D1404 PolarHBondContact NH2-OD2 3.01Å; R1402-D1404 PolarHBondContact O-N 2.93Å |
| 1405 | A | 81.7 | Confident | 80.1 | Confident | 10 Ų | 10 | 67.1 Ų | 67.1 | 8% | 0.083 | 35% | 0.345 | C | S | . | . | P | Polyproline II helix | trans | -62.6 | 123.3 | 174.6 | 0 | 0 | 0 | 0 | 0 | 111.3 | R1402 E1403 L1455 | R1402-A1405 WeakPolarHBondContact O-CB 3.31Å; R1402-A1405 PolarHBondContact O-N 3.13Å; R1402-A1405 VanDerWaalsContact O-N 3.16Å; E1403-A1405 PolarHBondContact O-N 3.24Å; A1405-L1455 HydrophobicContact CB-CD1 4.33Å |
| 1406 | P | 64.4 | Low | 80.3 | Confident | 91 Ų | 91 | 67.3 Ų | 67.3 | 59% | 0.591 | 35% | 0.345 | S | S | * | . | P | Polyproline II helix | trans | -69.5 | 139.8 | -178.4 | 27.6 | -34.7 | 0 | 0 | 0 | 111.8 | G1408 R1409 | P1406-G1408 PolarHBondContact O-N 2.97Å; P1406-R1409 WeakPolarHBondContact O-CB 3.32Å; P1406-R1409 PolarHBondContact O-N 3.16Å |
| 1407 | V | 66.2 | Low | 80.4 | Confident | 85 Ų | 85 | 71.9 Ų | 71.9 | 52% | 0.515 | 36% | 0.357 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -49.9 | 134 | 172.4 | 176 | 0 | 0 | 0 | 0 | 110.8 | A1452 P1454 | V1407-A1452 VanDerWaalsContact CG1-O 3.3Å; V1407-A1452 WeakPolarHBondContact CG1-O 3.08Å; V1407-P1454 HydrophobicContact CG2-CG 4.48Å |
| 1408 | G | 68.9 | Low | 80.3 | Confident | 52 Ų | 52 | 68 Ų | 68 | 54% | 0.536 | 34% | 0.34 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 93.2 | -6.1 | -172.8 | 0 | 0 | 0 | 0 | 0 | 114.8 | P1406 L1410 V1451 | P1406-G1408 PolarHBondContact O-N 2.97Å; G1408-L1410 PolarHBondContact O-N 3.15Å; G1408-V1451 PolarHBondContact N-O 2.8Å |
| 1409 | R | 81.6 | Confident | 79.9 | Confident | 141 Ų | 141 | 69.6 Ų | 69.6 | 53% | 0.532 | 34% | 0.344 | S | S | . | . | trans | -63.6 | 127 | 175.4 | 178.1 | 173.4 | 176.8 | 84.5 | 4.5 | 111.2 | P1406 K1450 V1451 | P1406-R1409 WeakPolarHBondContact O-CB 3.32Å; P1406-R1409 PolarHBondContact O-N 3.16Å; R1409-K1450 CarbonylContact O-C 3.49Å; R1409-K1450 VanDerWaalsContact O-CA 3.23Å; R1409-K1450 WeakPolarHBondContact O-CA 3.49Å; R1409-V1451 HydrophobicContact CB-CG2 4.33Å; R1409-V1451 PolarHBondContact O-N 3.13Å | ||
| 1410 | L | 81 | Confident | 79.3 | Confident | 87 Ų | 87 | 68.8 Ų | 68.8 | 46% | 0.455 | 34% | 0.339 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -64.8 | 136.6 | 170.8 | -172.8 | 74.3 | 0 | 0 | 0 | 110.9 | G1408 N1448 L1449 K1450 | G1408-L1410 PolarHBondContact O-N 3.15Å; L1410-N1448 HydrophobicContact CD1-CB 3.68Å; L1410-L1449 WeakPolarHBondContact CD1-O 3.47Å; L1410-K1450 HydrophobicContact CD1-CG 4.02Å |
| 1411 | V | 84.4 | Confident | 78.2 | Confident | 19 Ų | 19 | 68.8 Ų | 68.8 | 12% | 0.115 | 34% | 0.343 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.6 | -61.7 | -178.1 | 179.8 | 0 | 0 | 0 | 0 | 109.9 | V1399 F1440 L1449 V1451 L1481 V1483 | V1399-V1411 HydrophobicContact CG1-CG1 3.66Å; V1399-V1411 HydrophobicContact CG2-CG1 4.35Å; V1411-F1440 HydrophobicContact CG2-CD1 4.18Å; V1411-F1440 HydrophobicContact CG2-CE1 4.11Å; V1411-L1449 HydrophobicContact CB-CB 4.45Å; V1411-L1449 HydrophobicContact CB-CD2 4.04Å; V1411-L1449 HydrophobicContact CB-CG 4.24Å; V1411-L1449 HydrophobicContact CG1-CD2 3.89Å; V1411-L1449 PolarHBondContact N-O 2.04Å; V1411-V1451 HydrophobicContact CG2-CG2 3.87Å; V1411-L1481 HydrophobicContact CG1-CD2 4.45Å; V1411-V1483 HydrophobicContact CG1-CG2 4.47Å |
| 1412 | V | 88.2 | Confident | 76.7 | Confident | 18 Ų | 18 | 71.4 Ų | 71.4 | 11% | 0.109 | 37% | 0.373 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -151.2 | 179.9 | 175.5 | -63.8 | 0 | 0 | 0 | 0 | 111.4 | P1396 V1399 F1414 L1449 L1481 | P1396-V1412 HydrophobicContact CB-CG1 4.22Å; P1396-V1412 HydrophobicContact CG-CB 3.82Å; P1396-V1412 HydrophobicContact CG-CG1 3.86Å; P1396-V1412 HydrophobicContact CG-CG2 4.13Å; V1399-V1412 HydrophobicContact CB-CG1 4.31Å; V1399-V1412 HydrophobicContact CG1-CG1 4.48Å; V1399-V1412 HydrophobicContact CG2-CG1 4.42Å; V1412-F1414 HydrophobicContact CG2-CE2 3.63Å; V1412-F1414 HydrophobicContact CG2-CZ 3.75Å; V1412-L1449 HydrophobicContact CG2-CB 3.93Å; V1412-L1449 HydrophobicContact CG2-CD2 3.88Å; V1412-L1449 PolarHBondContact O-N 3.08Å; V1412-L1481 HydrophobicContact CG1-CD1 4.24Å; V1412-L1481 HydrophobicContact CG1-CD2 4.37Å; V1412-L1481 HydrophobicContact CG2-CD1 4.35Å; V1412-L1481 HydrophobicContact CG2-CD2 3.5Å |
| 1413 | W | 77.7 | Confident | 75.6 | Confident | 133 Ų | 133 | 67.4 Ų | 67.4 | 50% | 0.504 | 36% | 0.359 | S | S | . | . | trans | -147.2 | 163.1 | 172.6 | 68 | -76 | 0 | 0 | 0 | 111 | R1415 G1447 N1448 | W1413-R1415 HydrophobicContact CE3-CG 4.45Å; W1413-R1415 HydrophobicContact CH2-CG 4.33Å; W1413-R1415 HydrophobicContact CZ3-CG 3.72Å; W1413-G1447 WeakPolarHBondContact CA-O 3.22Å; W1413-N1448 VanDerWaalsContact CB-OD1 3.3Å; W1413-N1448 WeakPolarHBondContact CB-OD1 3.46Å | ||
| 1414 | F | 85.6 | Confident | 74.4 | Confident | 10 Ų | 10 | 71.8 Ų | 71.8 | 4% | 0.044 | 38% | 0.383 | C | S | . | . | trans | -131 | 166.2 | -170.3 | -63.6 | -86.4 | 0 | 0 | 0 | 113.4 | F1392 P1395 P1396 V1412 F1428 I1442 G1447 I1467 Q1479 | F1392-F1414 HydrophobicContact CD1-CB 4.06Å; F1392-F1414 AromaticContact CD1-CD1 3.85Å; F1392-F1414 HydrophobicContact CD1-CD1 3.85Å; F1392-F1414 HydrophobicContact CD1-CG 4.24Å; F1392-F1414 HydrophobicContact CE1-CB 3.9Å; F1392-F1414 AromaticContact CE1-CD1 3.82Å; F1392-F1414 HydrophobicContact CE1-CD1 3.82Å; F1392-F1414 AromaticContact CE1-CG 3.93Å; F1392-F1414 HydrophobicContact CE1-CG 3.93Å; P1395-F1414 HydrophobicContact CB-CD1 3.94Å; P1395-F1414 HydrophobicContact CB-CE1 4.04Å; P1396-F1414 HydrophobicContact CG-CE1 4.04Å; P1396-F1414 HydrophobicContact CG-CZ 4.27Å; V1412-F1414 HydrophobicContact CG2-CE2 3.63Å; V1412-F1414 HydrophobicContact CG2-CZ 3.75Å; F1414-F1428 HydrophobicContact CB-CE1 3.86Å; F1414-F1428 HydrophobicContact CB-CZ 4.24Å; F1414-I1442 HydrophobicContact CD2-CD1 4.05Å; F1414-I1442 HydrophobicContact CE2-CD1 4.22Å; F1414-G1447 WeakPolarHBondContact CD2-O 3.32Å; F1414-I1467 HydrophobicContact CD2-CG2 4.36Å; F1414-I1467 HydrophobicContact CE2-CD1 3.57Å; F1414-I1467 HydrophobicContact CE2-CG2 4.14Å; F1414-I1467 HydrophobicContact CZ-CD1 3.61Å; F1414-I1467 HydrophobicContact CZ-CG2 4.46Å; F1414-Q1479 HydrophobicContact CE1-CG 3.99Å | ||
| 1415 | R | 80.3 | Confident | 73.7 | Confident | 127 Ų | 127 | 73.3 Ų | 73.3 | 48% | 0.479 | 39% | 0.388 | S | S | . | . | trans | -137.1 | 163 | 173.8 | -68.5 | -179.7 | -178.9 | 151.1 | -4.5 | 110.1 | F1392 V1393 D1394 W1413 | F1392-R1415 WeakPolarHBondContact CA-O 3.43Å; V1393-R1415 HydrophobicContact CB-CB 3.98Å; V1393-R1415 PolarHBondContact N-O 3.02Å; D1394-R1415 IonicContact OD2-NH1 3.18Å; W1413-R1415 HydrophobicContact CE3-CG 4.45Å; W1413-R1415 HydrophobicContact CH2-CG 4.33Å; W1413-R1415 HydrophobicContact CZ3-CG 3.72Å | ||
| 1416 | V | 81.3 | Confident | 73.3 | Confident | 31 Ų | 31 | 74.6 Ų | 74.6 | 19% | 0.188 | 39% | 0.391 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -142.1 | 160.8 | -176.8 | -125.4 | 0 | 0 | 0 | 0 | 112 | P1390 E1391 F1426 F1428 V1469 | P1390-V1416 HydrophobicContact CB-CG1 3.87Å; E1391-V1416 CarbonylContact O-C 3.48Å; E1391-V1416 VanDerWaalsContact O-CA 3.28Å; E1391-V1416 WeakPolarHBondContact O-CA 3.4Å; E1391-V1416 WeakPolarHBondContact O-CG1 3.39Å; V1416-F1426 HydrophobicContact CB-CD2 3.98Å; V1416-F1426 HydrophobicContact CB-CE2 4.06Å; V1416-F1426 HydrophobicContact CB-CG 4.24Å; V1416-F1426 HydrophobicContact CB-CZ 4.41Å; V1416-F1426 HydrophobicContact CG2-CB 4.21Å; V1416-F1426 HydrophobicContact CG2-CD2 3.62Å; V1416-F1426 HydrophobicContact CG2-CE2 4.19Å; V1416-F1426 HydrophobicContact CG2-CG 3.87Å; V1416-F1428 HydrophobicContact CG2-CE1 4.07Å; V1416-F1428 HydrophobicContact CG2-CE2 4.48Å; V1416-F1428 HydrophobicContact CG2-CZ 3.59Å; V1416-V1469 HydrophobicContact CG1-CB 4.36Å; V1416-V1469 HydrophobicContact CG1-CG1 3.65Å; V1416-V1469 HydrophobicContact CG1-CG2 3.86Å; V1416-V1469 HydrophobicContact CG2-CG2 3.84Å |
| 1417 | R | 77.9 | Confident | 73.8 | Confident | 139 Ų | 139 | 73.3 Ų | 73.3 | 53% | 0.525 | 38% | 0.38 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -142.1 | 158.5 | 166.5 | 67.6 | 176.7 | -174.1 | -172.8 | -1.9 | 110.1 | E1391 V1393 | E1391-R1417 HydrophobicContact CB-CG 3.98Å; E1391-R1417 PolarHBondContact N-O 3.39Å; E1391-R1417 PolarHBondContact O-N 2.84Å; E1391-R1417 IonicContact OE1-CZ 2.72Å; E1391-R1417 VanDerWaalsContact OE1-CZ 3.27Å; E1391-R1417 IonicContact OE1-NE 2.78Å; E1391-R1417 PolarHBondContact OE1-NE 2.79Å; E1391-R1417 IonicContact OE1-NH2 2.67Å; E1391-R1417 PolarHBondContact OE1-NH2 2.87Å; E1391-R1417 IonicContact OE2-CZ 2.62Å; E1391-R1417 IonicContact OE2-NE 3.92Å; E1391-R1417 PolarHBondContact OE2-NE 3.46Å; E1391-R1417 IonicContact OE2-NH2 3.29Å; E1391-R1417 PolarHBondContact OE2-NH2 2.85Å; V1393-R1417 HydrophobicContact CG2-CB 3.99Å; V1393-R1417 HydrophobicContact CG2-CG 3.89Å |
| 1418 | D | 75.3 | Confident | 74.5 | Confident | 41 Ų | 41 | 70.2 Ų | 70.2 | 22% | 0.219 | 36% | 0.359 | C | S | . | . | trans | -130.2 | 168 | 173.6 | -139.5 | -65.1 | 0 | 0 | 0 | 111.8 | P1390 D1420 F1426 | P1390-D1418 WeakPolarHBondContact CA-OD2 3.43Å; P1390-D1418 WeakPolarHBondContact CB-OD2 3.44Å; D1418-D1420 PolarHBondContact OD1-N 3.02Å; D1418-F1426 HydrophobicContact CB-CE1 4.38Å; D1418-F1426 HydrophobicContact CB-CZ 4.29Å | ||
| 1419 | K | 70.8 | Confident | 75 | Confident | 152 Ų | 152 | 73.5 Ų | 73.5 | 66% | 0.661 | 36% | 0.355 | S | S | * | . | trans | -102.9 | -31.9 | 172 | -61.5 | -171.9 | -151.3 | 145.3 | 0 | 112.7 | N1388 | N1388-K1419 HydrophobicContact CB-CB 4.21Å; N1388-K1419 WeakPolarHBondContact OD1-CD 3.16Å; N1388-K1419 PolarHBondContact OD1-NZ 3.02Å | ||
| 1420 | D | 74.9 | Confident | 74.9 | Confident | 13 Ų | 13 | 67.5 Ų | 67.5 | 7% | 0.07 | 33% | 0.334 | C | S | . | . | S | Bend | trans | -65.6 | 156.1 | -168.8 | -65.6 | -14.6 | 0 | 0 | 0 | 112 | N1386 D1387 N1388 D1418 G1422 | N1386-D1420 WeakPolarHBondContact CA-OD2 3.19Å; N1386-D1420 HydrophobicContact CB-CB 4.36Å; N1386-D1420 PolarHBondContact ND2-OD2 2.9Å; N1386-D1420 VanDerWaalsContact ND2-OD2 3.11Å; D1387-D1420 PolarHBondContact N-OD2 2.99Å; N1388-D1420 VanDerWaalsContact CB-OD1 3.24Å; N1388-D1420 WeakPolarHBondContact CB-OD1 3.17Å; N1388-D1420 PolarHBondContact N-OD1 3.01Å; N1388-D1420 PolarHBondContact N-OD2 2.94Å; N1388-D1420 PolarHBondContact ND2-OD1 2.98Å; D1418-D1420 PolarHBondContact OD1-N 3.02Å; D1420-G1422 PolarHBondContact O-N 3Å |
| 1421 | A | 62.1 | Low | 74.4 | Confident | 63 Ų | 63 | 65.9 Ų | 65.9 | 52% | 0.521 | 32% | 0.324 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -77.4 | 43.3 | -161.2 | 0 | 0 | 0 | 0 | 0 | 115.9 | D1384 | D1384-A1421 WeakPolarHBondContact OD1-CB 3.44Å; D1384-A1421 WeakPolarHBondContact OD2-CB 3.43Å |
| 1422 | G | 58.5 | Low | 73.2 | Confident | 66 Ų | 66 | 68.1 Ų | 68.1 | 68% | 0.68 | 33% | 0.333 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 151.9 | 15 | 165.1 | 0 | 0 | 0 | 0 | 0 | 118 | D1420 | D1420-G1422 PolarHBondContact O-N 3Š|
| 1423 | D | 61.4 | Low | 72 | Confident | 28 Ų | 28 | 73.4 Ų | 73.4 | 15% | 0.15 | 36% | 0.357 | C | S | . | . | trans | -74.6 | 138.7 | 175.1 | -151 | -25.5 | 0 | 0 | 0 | 112.1 | Q1425 S1472 | D1423-Q1425 PolarHBondContact OD1-N 3.18Å; D1423-S1472 WeakPolarHBondContact OD2-CA 3.5Å; D1423-S1472 WeakPolarHBondContact OD2-CB 3.43Å; D1423-S1472 PolarHBondContact OD2-N 3.38Å; D1423-S1472 PolarHBondContact OD2-OG 3.49Å | ||
| 1424 | D | 61.1 | Low | 72.1 | Confident | 110 Ų | 110 | 68.2 Ų | 68.2 | 59% | 0.588 | 34% | 0.34 | S | S | * | . | trans | -138.5 | 8.7 | 175.9 | 82.3 | -16.8 | 0 | 0 | 0 | 113.6 | ||||
| 1425 | Q | 63.1 | Low | 71.5 | Confident | 124 Ų | 124 | 68.1 Ų | 68.1 | 58% | 0.579 | 34% | 0.34 | S | S | * | . | trans | -129.1 | 93.5 | -168.1 | -88.7 | 168.1 | 78.9 | 0 | 0 | 114.3 | D1423 | D1423-Q1425 PolarHBondContact OD1-N 3.18Š| ||
| 1426 | F | 74.5 | Confident | 70.7 | Confident | 36 Ų | 36 | 68.9 Ų | 68.9 | 16% | 0.158 | 35% | 0.349 | C | S | . | . | trans | -95.8 | 153.6 | 176.1 | -43.7 | -72.6 | 0 | 0 | 0 | 113 | P1390 V1416 D1418 K1445 V1469 V1470 D1471 | P1390-F1426 HydrophobicContact CB-CD1 3.76Å; P1390-F1426 HydrophobicContact CB-CE1 3.67Å; P1390-F1426 HydrophobicContact CG-CD1 4.4Å; V1416-F1426 HydrophobicContact CB-CD2 3.98Å; V1416-F1426 HydrophobicContact CB-CE2 4.06Å; V1416-F1426 HydrophobicContact CB-CG 4.24Å; V1416-F1426 HydrophobicContact CB-CZ 4.41Å; V1416-F1426 HydrophobicContact CG2-CB 4.21Å; V1416-F1426 HydrophobicContact CG2-CD2 3.62Å; V1416-F1426 HydrophobicContact CG2-CE2 4.19Å; V1416-F1426 HydrophobicContact CG2-CG 3.87Å; D1418-F1426 HydrophobicContact CB-CE1 4.38Å; D1418-F1426 HydrophobicContact CB-CZ 4.29Å; F1426-K1445 PolarHBondContact O-NZ 3.09Å; F1426-K1445 VanDerWaalsContact O-NZ 3.15Å; F1426-V1469 HydrophobicContact CB-CG2 3.7Å; F1426-V1469 HydrophobicContact CG-CG2 4.3Å; F1426-V1470 CarbonylContact C-O 3.54Å; F1426-V1470 WeakPolarHBondContact CA-O 3.24Å; F1426-D1471 HydrophobicContact CD1-CB 4.21Å; F1426-D1471 HydrophobicContact CE1-CB 4.32Å | ||
| 1427 | D | 75 | Confident | 69.9 | Low | 64 Ų | 64 | 71.4 Ų | 71.4 | 34% | 0.342 | 36% | 0.358 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.6 | 125.7 | 165.9 | -89.2 | -55.4 | 0 | 0 | 0 | 111.1 | N1444 K1445 V1470 | D1427-N1444 CarbonylContact C-O 3.54Å; D1427-N1444 WeakPolarHBondContact CA-O 3.15Å; D1427-N1444 WeakPolarHBondContact OD1-CB 3.38Å; D1427-N1444 PolarHBondContact OD1-ND2 3.48Å; D1427-K1445 WeakPolarHBondContact OD1-CE 3.36Å; D1427-K1445 WeakPolarHBondContact OD1-CG 3.44Å; D1427-K1445 IonicContact OD1-NZ 2.67Å; D1427-K1445 PolarHBondContact OD1-NZ 3.44Å; D1427-K1445 IonicContact OD2-NZ 3.45Å; D1427-K1445 PolarHBondContact OD2-NZ 2.8Å; D1427-V1470 PolarHBondContact N-O 2.71Å; D1427-V1470 PolarHBondContact O-N 2.87Å |
| 1428 | F | 80.7 | Confident | 69.5 | Low | 20 Ų | 20 | 67 Ų | 67 | 9% | 0.088 | 34% | 0.341 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.9 | 143 | -179.5 | -63.7 | -84.1 | 0 | 0 | 0 | 112.9 | F1392 F1414 V1416 I1442 N1444 E1468 V1469 | F1392-F1428 HydrophobicContact CE1-CD1 4.18Å; F1392-F1428 AromaticContact CE1-CE1 3.8Å; F1392-F1428 HydrophobicContact CE1-CE1 3.8Å; F1392-F1428 HydrophobicContact CZ-CE1 4.46Å; F1414-F1428 HydrophobicContact CB-CE1 3.86Å; F1414-F1428 HydrophobicContact CB-CZ 4.24Å; V1416-F1428 HydrophobicContact CG2-CE1 4.07Å; V1416-F1428 HydrophobicContact CG2-CE2 4.48Å; V1416-F1428 HydrophobicContact CG2-CZ 3.59Å; F1428-I1442 HydrophobicContact CB-CD1 4.01Å; F1428-I1442 HydrophobicContact CB-CG1 4.28Å; F1428-I1442 HydrophobicContact CB-CG2 4.37Å; F1428-N1444 WeakPolarHBondContact CD2-O 3.5Å; F1428-N1444 PolarHBondContact N-O 3.35Å; F1428-E1468 CarbonylContact C-O 3.58Å; F1428-E1468 WeakPolarHBondContact CA-O 3.3Å; F1428-V1469 HydrophobicContact CD1-CB 3.74Å; F1428-V1469 HydrophobicContact CD1-CG2 3.66Å; F1428-V1469 HydrophobicContact CE1-CB 3.83Å; F1428-V1469 HydrophobicContact CE1-CG2 3.51Å; F1428-V1469 HydrophobicContact CG-CG2 4.29Å; F1428-V1469 HydrophobicContact CZ-CG2 4.05Å |
| 1429 | R | 79.6 | Confident | 69.7 | Low | 121 Ų | 121 | 65.6 Ų | 65.6 | 46% | 0.457 | 33% | 0.333 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -144.6 | 167.1 | 174.9 | 65.6 | -169.2 | -170.6 | -159.7 | 1.3 | 112.8 | I1467 E1468 | R1429-I1467 WeakPolarHBondContact O-CA 3.47Å; R1429-E1468 HydrophobicContact CG-CB 3.8Å; R1429-E1468 IonicContact CZ-OE2 3.08Å; R1429-E1468 PolarHBondContact N-O 2.86Å; R1429-E1468 IonicContact NE-OE2 3.7Å; R1429-E1468 PolarHBondContact NE-OE2 2.85Å; R1429-E1468 IonicContact NH2-OE2 2.77Å; R1429-E1468 PolarHBondContact NH2-OE2 3.04Å; R1429-E1468 PolarHBondContact O-N 2.84Å |
| 1430 | I | 79.2 | Confident | 70.4 | Confident | 16 Ų | 16 | 58.6 Ų | 58.6 | 8% | 0.082 | 30% | 0.303 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.5 | 132.6 | 171.6 | -52.4 | 172.6 | 0 | 0 | 0 | 107.6 | H1432 D1435 F1440 I1442 L1449 L1465 I1467 | I1430-H1432 PolarHBondContact O-N 3.03Å; I1430-D1435 HydrophobicContact CG2-CB 4.38Å; I1430-F1440 HydrophobicContact CD1-CB 4.13Å; I1430-I1442 HydrophobicContact CD1-CB 4.32Å; I1430-I1442 HydrophobicContact CD1-CG2 4.44Å; I1430-I1442 HydrophobicContact CG1-CB 4.08Å; I1430-I1442 HydrophobicContact CG1-CG2 3.8Å; I1430-L1449 HydrophobicContact CD1-CD1 3.55Å; I1430-L1449 HydrophobicContact CG1-CD1 4.21Å; I1430-L1465 HydrophobicContact CG2-CD2 4.49Å; I1430-I1467 HydrophobicContact CG1-CG1 4.46Å |
| 1431 | Q | 70.4 | Confident | 70.5 | Confident | 52 Ų | 52 | 59.4 Ų | 59.4 | 24% | 0.243 | 31% | 0.308 | C | S | . | . | trans | -69.7 | 123.9 | 173.8 | -171.6 | -176.3 | -7.4 | 0 | 0 | 109.8 | E1433 S1434 R1466 | Q1431-E1433 VanDerWaalsContact CG-OE2 3.29Å; Q1431-E1433 WeakPolarHBondContact CG-OE2 3.22Å; Q1431-E1433 PolarHBondContact NE2-OE2 3.47Å; Q1431-E1433 PolarHBondContact O-N 2.93Å; Q1431-S1434 WeakPolarHBondContact O-CB 3.33Å; Q1431-S1434 PolarHBondContact O-N 3.19Å; Q1431-S1434 PolarHBondContact O-OG 3.26Å; Q1431-R1466 HydrophobicContact CB-CB 4.13Å; Q1431-R1466 HydrophobicContact CB-CG 4.47Å; Q1431-R1466 PolarHBondContact N-O 2.8Å | ||
| 1432 | H | 59.4 | Low | 71.4 | Confident | 66 Ų | 66 | 57.3 Ų | 57.3 | 31% | 0.306 | 29% | 0.288 | S | S | . | . | G | 310 helix | trans | -63.3 | -37.6 | -164.7 | -174.4 | 9.1 | 0 | 0 | 0 | 113.8 | I1430 S1434 D1435 Q1436 R1438 | I1430-H1432 PolarHBondContact O-N 3.03Å; H1432-S1434 PolarHBondContact O-N 3.19Å; H1432-D1435 PolarHBondContact ND1-O 2.99Å; H1432-D1435 CarbonylContact O-C 3.55Å; H1432-D1435 VanDerWaalsContact O-C 3.24Å; H1432-D1435 PolarHBondContact O-N 3.35Å; H1432-Q1436 PolarHBondContact O-N 3.47Å; H1432-R1438 PolarHBondContact CD2-NH2 2.99Å; H1432-R1438 PolarHBondContact CE1-NE 3.5Å; H1432-R1438 PolarHBondContact NE2-NE 2.8Å; H1432-R1438 VanDerWaalsContact NE2-NE 3.1Å; H1432-R1438 PolarHBondContact NE2-NH2 3.05Å |
| 1433 | E | 64 | Low | 72 | Confident | 130 Ų | 130 | 55 Ų | 55 | 61% | 0.607 | 26% | 0.264 | S | S | * | . | G | 310 helix | trans | -59 | -24.4 | 178.9 | -57.8 | 85 | -146.3 | 0 | 0 | 112.8 | Q1431 Q1436 | Q1431-E1433 VanDerWaalsContact CG-OE2 3.29Å; Q1431-E1433 WeakPolarHBondContact CG-OE2 3.22Å; Q1431-E1433 PolarHBondContact NE2-OE2 3.47Å; Q1431-E1433 PolarHBondContact O-N 2.93Å; E1433-Q1436 VanDerWaalsContact O-CG 3.31Å; E1433-Q1436 WeakPolarHBondContact O-CG 3.17Å |
| 1434 | S | 78.8 | Confident | 72.1 | Confident | 23 Ų | 23 | 58 Ų | 58 | 16% | 0.161 | 28% | 0.28 | C | S | . | . | G | 310 helix | trans | -79.4 | -14.9 | 179.2 | 76.8 | 0 | 0 | 0 | 0 | 114.6 | Q1431 H1432 R1464 L1465 R1466 | Q1431-S1434 WeakPolarHBondContact O-CB 3.33Å; Q1431-S1434 PolarHBondContact O-N 3.19Å; Q1431-S1434 PolarHBondContact O-OG 3.26Å; H1432-S1434 PolarHBondContact O-N 3.19Å; S1434-R1464 WeakPolarHBondContact CB-O 3.22Å; S1434-L1465 WeakPolarHBondContact OG-CA 3.34Å; S1434-R1466 PolarHBondContact OG-N 3.1Å |
| 1435 | D | 73.7 | Confident | 72.4 | Confident | 8 Ų | 8 | 58.5 Ų | 58.5 | 4% | 0.043 | 28% | 0.277 | C | S | . | . | G | 310 helix | trans | -136.3 | 64.8 | 175.5 | -172.3 | 9.3 | 0 | 0 | 0 | 110.2 | I1430 H1432 K1437 R1438 Q1439 F1440 L1465 | I1430-D1435 HydrophobicContact CG2-CB 4.38Å; H1432-D1435 PolarHBondContact ND1-O 2.99Å; H1432-D1435 CarbonylContact O-C 3.55Å; H1432-D1435 VanDerWaalsContact O-C 3.24Å; H1432-D1435 PolarHBondContact O-N 3.35Å; D1435-K1437 PolarHBondContact O-N 2.95Å; D1435-K1437 VanDerWaalsContact O-N 3.12Å; D1435-R1438 PolarHBondContact O-N 2.84Å; D1435-R1438 WeakPolarHBondContact OD1-CA 3.25Å; D1435-R1438 PolarHBondContact OD1-N 2.82Å; D1435-R1438 VanDerWaalsContact OD1-N 3.13Å; D1435-R1438 WeakPolarHBondContact OD2-CA 3.37Å; D1435-Q1439 VanDerWaalsContact CG-N 3.31Å; D1435-Q1439 PolarHBondContact OD1-N 2.84Å; D1435-Q1439 PolarHBondContact OD2-N 3.15Å; D1435-F1440 WeakPolarHBondContact OD2-CA 3.36Å; D1435-F1440 PolarHBondContact OD2-N 2.87Å; D1435-L1465 HydrophobicContact CB-CD2 3.72Å |
| 1436 | Q | 62.8 | Low | 72.7 | Confident | 143 Ų | 143 | 56 Ų | 56 | 67% | 0.668 | 27% | 0.268 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -52.1 | -38.1 | -173.6 | -61.8 | -178.4 | -18.4 | 0 | 0 | 113.1 | H1432 E1433 | H1432-Q1436 PolarHBondContact O-N 3.47Å; E1433-Q1436 VanDerWaalsContact O-CG 3.31Å; E1433-Q1436 WeakPolarHBondContact O-CG 3.17Å |
| 1437 | K | 64.5 | Low | 72.9 | Confident | 85 Ų | 85 | 54.3 Ų | 54.3 | 37% | 0.37 | 26% | 0.26 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -95.2 | 2.5 | -178.1 | -60.6 | -168.7 | -176 | -162.3 | 0 | 113.8 | D1435 Q1439 R1453 D1459 I1460 | D1435-K1437 PolarHBondContact O-N 2.95Å; D1435-K1437 VanDerWaalsContact O-N 3.12Å; K1437-Q1439 HydrophobicContact CB-CG 4.28Å; K1437-R1453 WeakPolarHBondContact O-CD 3.43Å; K1437-R1453 PolarHBondContact O-NH1 3.05Å; K1437-D1459 VanDerWaalsContact CD-OD2 3.23Å; K1437-D1459 WeakPolarHBondContact CD-OD2 3.37Å; K1437-D1459 WeakPolarHBondContact CE-OD2 3.46Å; K1437-D1459 IonicContact NZ-OD1 2.86Å; K1437-D1459 PolarHBondContact NZ-OD1 2.86Å; K1437-D1459 IonicContact NZ-OD2 2.74Å; K1437-D1459 PolarHBondContact NZ-OD2 2.04Å; K1437-I1460 HydrophobicContact CD-CD1 3.9Å; K1437-I1460 HydrophobicContact CG-CD1 4.07Å |
| 1438 | R | 69.7 | Low | 73.2 | Confident | 47 Ų | 47 | 53.1 Ų | 53.1 | 18% | 0.177 | 25% | 0.254 | C | S | . | . | trans | 57.6 | 47 | 176.3 | -52.7 | -178.1 | -177.4 | -156 | 0.5 | 112 | H1432 D1435 R1453 D2043 N2044 | H1432-R1438 PolarHBondContact CD2-NH2 2.99Å; H1432-R1438 PolarHBondContact CE1-NE 3.5Å; H1432-R1438 PolarHBondContact NE2-NE 2.8Å; H1432-R1438 VanDerWaalsContact NE2-NE 3.1Å; H1432-R1438 PolarHBondContact NE2-NH2 3.05Å; D1435-R1438 PolarHBondContact O-N 2.84Å; D1435-R1438 WeakPolarHBondContact OD1-CA 3.25Å; D1435-R1438 PolarHBondContact OD1-N 2.82Å; D1435-R1438 VanDerWaalsContact OD1-N 3.13Å; D1435-R1438 WeakPolarHBondContact OD2-CA 3.37Å; R1438-R1453 VanDerWaalsContact O-CD 3.29Å; R1438-R1453 WeakPolarHBondContact O-CD 3.44Å; R1438-R1453 WeakPolarHBondContact O-CG 3.48Å; R1438-D2043 PolarHBondContact NH1-O 2.93Å; R1438-N2044 VanDerWaalsContact NH1-CA 3.27Å | ||
| 1439 | Q | 79.3 | Confident | 73.5 | Confident | 11 Ų | 11 | 52.2 Ų | 52.2 | 5% | 0.051 | 25% | 0.25 | C | C | . | . | trans | -85.9 | -7.4 | -177.7 | -78.5 | 163.8 | -65.1 | 0 | 0 | 113.4 | D1435 K1437 A1452 R1453 P1454 L1455 Y1463 | D1435-Q1439 VanDerWaalsContact CG-N 3.31Å; D1435-Q1439 PolarHBondContact OD1-N 2.84Å; D1435-Q1439 PolarHBondContact OD2-N 3.15Å; K1437-Q1439 HydrophobicContact CB-CG 4.28Å; Q1439-A1452 PolarHBondContact O-N 2.86Å; Q1439-R1453 HydrophobicContact CG-CB 4Å; Q1439-R1453 PolarHBondContact O-N 2.78Å; Q1439-P1454 PolarHBondContact NE2-O 2.88Å; Q1439-L1455 HydrophobicContact CB-CD2 3.79Å; Q1439-L1455 HydrophobicContact CG-CD2 4.33Å; Q1439-Y1463 HydrophobicContact CB-CE1 4.3Å; Q1439-Y1463 VanDerWaalsContact CD-OH 3.24Å; Q1439-Y1463 PolarHBondContact NE2-OH 3.17Å; Q1439-Y1463 PolarHBondContact OE1-OH 2.63Å | ||
| 1440 | F | 85.1 | Confident | 73.7 | Confident | 5 Ų | 5 | 49.2 Ų | 49.2 | 2% | 0.022 | 24% | 0.24 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.6 | 167.2 | 174.5 | -59.4 | -90.7 | 0 | 0 | 0 | 112.1 | I1401 V1411 I1430 D1435 L1449 K1450 V1451 A1452 L1455 Y1463 L1465 V1483 | I1401-F1440 HydrophobicContact CD1-CE1 3.87Å; I1401-F1440 HydrophobicContact CD1-CZ 4.07Å; V1411-F1440 HydrophobicContact CG2-CD1 4.18Å; V1411-F1440 HydrophobicContact CG2-CE1 4.11Å; I1430-F1440 HydrophobicContact CD1-CB 4.13Å; D1435-F1440 WeakPolarHBondContact OD2-CA 3.36Å; D1435-F1440 PolarHBondContact OD2-N 2.87Å; F1440-L1449 HydrophobicContact CB-CD1 4.15Å; F1440-K1450 CarbonylContact C-O 3.16Å; F1440-K1450 VanDerWaalsContact CA-O 3.29Å; F1440-K1450 WeakPolarHBondContact CA-O 3.45Å; F1440-V1451 HydrophobicContact CE1-CG2 4.27Å; F1440-A1452 VanDerWaalsContact C-CB 3.48Å; F1440-A1452 WeakPolarHBondContact O-CB 3.38Å; F1440-L1455 HydrophobicContact CE2-CD2 3.86Å; F1440-L1455 HydrophobicContact CZ-CD1 4.37Å; F1440-L1455 HydrophobicContact CZ-CD2 3.68Å; F1440-Y1463 HydrophobicContact CD2-CD1 4.26Å; F1440-Y1463 HydrophobicContact CD2-CG 4.42Å; F1440-Y1463 AromaticContact CE2-CD1 3.66Å; F1440-Y1463 HydrophobicContact CE2-CD1 3.66Å; F1440-Y1463 AromaticContact CE2-CD2 3.67Å; F1440-Y1463 HydrophobicContact CE2-CD2 3.67Å; F1440-Y1463 AromaticContact CE2-CE1 3.87Å; F1440-Y1463 HydrophobicContact CE2-CE1 3.87Å; F1440-Y1463 AromaticContact CE2-CE2 3.93Å; F1440-Y1463 HydrophobicContact CE2-CE2 3.93Å; F1440-Y1463 AromaticContact CE2-CG 3.57Å; F1440-Y1463 HydrophobicContact CE2-CG 3.57Å; F1440-Y1463 AromaticContact CZ-CD2 3.98Å; F1440-Y1463 HydrophobicContact CZ-CD2 3.98Å; F1440-Y1463 HydrophobicContact CZ-CE2 4.24Å; F1440-Y1463 HydrophobicContact CZ-CG 4.27Å; F1440-L1465 HydrophobicContact CB-CD1 4.04Å; F1440-L1465 HydrophobicContact CB-CD2 4.48Å; F1440-L1465 HydrophobicContact CD1-CD1 3.95Å; F1440-L1465 HydrophobicContact CD2-CD1 3.8Å; F1440-L1465 HydrophobicContact CD2-CD2 3.82Å; F1440-L1465 HydrophobicContact CD2-CG 4.4Å; F1440-L1465 HydrophobicContact CE1-CD1 4.4Å; F1440-L1465 HydrophobicContact CE2-CD1 4.28Å; F1440-L1465 HydrophobicContact CE2-CD2 4.45Å; F1440-L1465 HydrophobicContact CG-CD1 3.63Å; F1440-L1465 HydrophobicContact CG-CD2 4.3Å; F1440-V1483 HydrophobicContact CE1-CG1 4.06Å; F1440-V1483 HydrophobicContact CE1-CG2 4.37Å; F1440-V1483 HydrophobicContact CZ-CB 4.27Å; F1440-V1483 HydrophobicContact CZ-CG1 3.81Å; F1440-V1483 HydrophobicContact CZ-CG2 4.39Å |
| 1441 | T | 76.9 | Confident | 73.7 | Confident | 29 Ų | 29 | 48.5 Ų | 48.5 | 18% | 0.178 | 24% | 0.237 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -154.2 | 142.6 | 174.3 | -178 | 0 | 0 | 0 | 0 | 109.5 | L1449 K1450 A1452 | T1441-L1449 CarbonylContact O-C 3.49Å; T1441-L1449 WeakPolarHBondContact O-CA 3.29Å; T1441-K1450 HydrophobicContact CG2-CB 4.17Å; T1441-K1450 PolarHBondContact N-O 2.82Å; T1441-K1450 PolarHBondContact O-N 3.36Å; T1441-A1452 HydrophobicContact CG2-CB 3.96Å |
| 1442 | I | 81.6 | Confident | 73.5 | Confident | 20 Ų | 20 | 46.6 Ų | 46.6 | 10% | 0.103 | 23% | 0.23 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.9 | 141.9 | 176 | -162.8 | 164.3 | 0 | 0 | 0 | 110.1 | F1414 F1428 I1430 L1449 I1467 | F1414-I1442 HydrophobicContact CD2-CD1 4.05Å; F1414-I1442 HydrophobicContact CE2-CD1 4.22Å; F1428-I1442 HydrophobicContact CB-CD1 4.01Å; F1428-I1442 HydrophobicContact CB-CG1 4.28Å; F1428-I1442 HydrophobicContact CB-CG2 4.37Å; I1430-I1442 HydrophobicContact CD1-CB 4.32Å; I1430-I1442 HydrophobicContact CD1-CG2 4.44Å; I1430-I1442 HydrophobicContact CG1-CB 4.08Å; I1430-I1442 HydrophobicContact CG1-CG2 3.8Å; I1442-L1449 HydrophobicContact CB-CD1 4.13Å; I1442-I1467 HydrophobicContact CD1-CD1 4.47Å; I1442-I1467 HydrophobicContact CD1-CG2 3.57Å |
| 1443 | G | 71 | Confident | 73.8 | Confident | 17 Ų | 17 | 46.8 Ų | 46.8 | 18% | 0.175 | 23% | 0.228 | C | C | . | . | trans | -80.4 | 123.1 | 174 | 0 | 0 | 0 | 0 | 0 | 110.9 | K1445 D1446 G1447 N1448 | G1443-K1445 VanDerWaalsContact C-N 3.32Å; G1443-K1445 PolarHBondContact O-N 2.76Å; G1443-D1446 WeakPolarHBondContact CA-OD1 3.48Å; G1443-D1446 PolarHBondContact O-N 2.81Å; G1443-G1447 PolarHBondContact O-N 2.82Å; G1443-N1448 PolarHBondContact N-O 2.82Å | ||
| 1444 | N | 63.9 | Low | 74.1 | Confident | 90 Ų | 90 | 44.6 Ų | 44.6 | 48% | 0.481 | 23% | 0.225 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -60.1 | -34.2 | -167.7 | 70.5 | -54.7 | 0 | 0 | 0 | 114.4 | D1427 F1428 | D1427-N1444 CarbonylContact C-O 3.54Å; D1427-N1444 WeakPolarHBondContact CA-O 3.15Å; D1427-N1444 WeakPolarHBondContact OD1-CB 3.38Å; D1427-N1444 PolarHBondContact OD1-ND2 3.48Å; F1428-N1444 WeakPolarHBondContact CD2-O 3.5Å; F1428-N1444 PolarHBondContact N-O 3.35Å |
| 1445 | K | 67.3 | Low | 74.2 | Confident | 121 Ų | 121 | 44.1 Ų | 44.1 | 53% | 0.526 | 22% | 0.221 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -108.5 | 3.6 | 178.1 | -60.5 | -151.7 | 170 | -65.6 | 0 | 115.5 | F1426 D1427 G1443 | F1426-K1445 PolarHBondContact O-NZ 3.09Å; F1426-K1445 VanDerWaalsContact O-NZ 3.15Å; D1427-K1445 WeakPolarHBondContact OD1-CE 3.36Å; D1427-K1445 WeakPolarHBondContact OD1-CG 3.44Å; D1427-K1445 IonicContact OD1-NZ 2.67Å; D1427-K1445 PolarHBondContact OD1-NZ 3.44Å; D1427-K1445 IonicContact OD2-NZ 3.45Å; D1427-K1445 PolarHBondContact OD2-NZ 2.8Å; G1443-K1445 VanDerWaalsContact C-N 3.32Å; G1443-K1445 PolarHBondContact O-N 2.76Å |
| 1446 | D | 69.5 | Low | 74.5 | Confident | 72 Ų | 72 | 47.1 Ų | 47.1 | 39% | 0.385 | 24% | 0.237 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -125.9 | -5.8 | -178.3 | 77.4 | -4.8 | 0 | 0 | 0 | 114.1 | G1443 N1448 K1450 | G1443-D1446 WeakPolarHBondContact CA-OD1 3.48Å; G1443-D1446 PolarHBondContact O-N 2.81Å; D1446-N1448 PolarHBondContact O-N 2.97Å; D1446-N1448 WeakPolarHBondContact OD1-CB 3.43Å; D1446-N1448 PolarHBondContact OD1-N 3.25Å; D1446-N1448 PolarHBondContact OD2-ND2 3.03Å; D1446-K1450 IonicContact OD2-NZ 3.12Å |
| 1447 | G | 78.1 | Confident | 75.6 | Confident | 0 Ų | 0 | 41.6 Ų | 41.6 | 0% | 0 | 21% | 0.21 | C | C | . | . | trans | 63.1 | 7 | -179.5 | 0 | 0 | 0 | 0 | 0 | 114.3 | W1413 F1414 G1443 L1449 | W1413-G1447 WeakPolarHBondContact CA-O 3.22Å; F1414-G1447 WeakPolarHBondContact CD2-O 3.32Å; G1443-G1447 PolarHBondContact O-N 2.82Å; G1447-L1449 PolarHBondContact O-N 2.82Å; G1447-L1449 VanDerWaalsContact O-N 3.13Å | ||
| 1448 | N | 82.3 | Confident | 76.4 | Confident | 40 Ų | 40 | 40.2 Ų | 40.2 | 21% | 0.214 | 21% | 0.205 | C | C | . | . | trans | -81.3 | 99.3 | -170 | -80.3 | -55.5 | 0 | 0 | 0 | 111.4 | L1410 W1413 G1443 D1446 K1450 | L1410-N1448 HydrophobicContact CD1-CB 3.68Å; W1413-N1448 VanDerWaalsContact CB-OD1 3.3Å; W1413-N1448 WeakPolarHBondContact CB-OD1 3.46Å; G1443-N1448 PolarHBondContact N-O 2.82Å; D1446-N1448 PolarHBondContact O-N 2.97Å; D1446-N1448 WeakPolarHBondContact OD1-CB 3.43Å; D1446-N1448 PolarHBondContact OD1-N 3.25Å; D1446-N1448 PolarHBondContact OD2-ND2 3.03Å; N1448-K1450 PolarHBondContact O-NZ 2.77Å; N1448-K1450 VanDerWaalsContact O-NZ 3.1Å | ||
| 1449 | L | 87.1 | Confident | 76.6 | Confident | 0 Ų | 0 | 41.5 Ų | 41.5 | 0% | 0 | 22% | 0.215 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -71.9 | 130.4 | 175.4 | -172.2 | 76.3 | 0 | 0 | 0 | 111.2 | L1410 V1411 V1412 I1430 F1440 T1441 I1442 G1447 L1465 I1467 L1481 | L1410-L1449 WeakPolarHBondContact CD1-O 3.47Å; V1411-L1449 HydrophobicContact CB-CB 4.45Å; V1411-L1449 HydrophobicContact CB-CD2 4.04Å; V1411-L1449 HydrophobicContact CB-CG 4.24Å; V1411-L1449 HydrophobicContact CG1-CD2 3.89Å; V1411-L1449 PolarHBondContact N-O 2.04Å; V1412-L1449 HydrophobicContact CG2-CB 3.93Å; V1412-L1449 HydrophobicContact CG2-CD2 3.88Å; V1412-L1449 PolarHBondContact O-N 3.08Å; I1430-L1449 HydrophobicContact CD1-CD1 3.55Å; I1430-L1449 HydrophobicContact CG1-CD1 4.21Å; F1440-L1449 HydrophobicContact CB-CD1 4.15Å; T1441-L1449 CarbonylContact O-C 3.49Å; T1441-L1449 WeakPolarHBondContact O-CA 3.29Å; I1442-L1449 HydrophobicContact CB-CD1 4.13Å; G1447-L1449 PolarHBondContact O-N 2.82Å; G1447-L1449 VanDerWaalsContact O-N 3.13Å; L1449-L1465 HydrophobicContact CD1-CD1 4.38Å; L1449-L1465 HydrophobicContact CD2-CD1 3.74Å; L1449-I1467 HydrophobicContact CD1-CD1 4.21Å; L1449-I1467 HydrophobicContact CD2-CD1 4.16Å; L1449-L1481 HydrophobicContact CD2-CD2 3.33Å |
| 1450 | K | 82.8 | Confident | 76.5 | Confident | 58 Ų | 58 | 42.4 Ų | 42.4 | 25% | 0.252 | 22% | 0.22 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -136.6 | 155.6 | -176.1 | -64.7 | 157 | -168.4 | 114.9 | 0 | 111 | R1409 L1410 F1440 T1441 D1446 N1448 | R1409-K1450 CarbonylContact O-C 3.49Å; R1409-K1450 VanDerWaalsContact O-CA 3.23Å; R1409-K1450 WeakPolarHBondContact O-CA 3.49Å; L1410-K1450 HydrophobicContact CD1-CG 4.02Å; F1440-K1450 CarbonylContact C-O 3.16Å; F1440-K1450 VanDerWaalsContact CA-O 3.29Å; F1440-K1450 WeakPolarHBondContact CA-O 3.45Å; T1441-K1450 HydrophobicContact CG2-CB 4.17Å; T1441-K1450 PolarHBondContact N-O 2.82Å; T1441-K1450 PolarHBondContact O-N 3.36Å; D1446-K1450 IonicContact OD2-NZ 3.12Å; N1448-K1450 PolarHBondContact O-NZ 2.77Å; N1448-K1450 VanDerWaalsContact O-NZ 3.1Å |
| 1451 | V | 79.6 | Confident | 76.3 | Confident | 1 Ų | 1 | 45.6 Ų | 45.6 | 1% | 0.006 | 24% | 0.241 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -69.5 | 124.5 | 169.8 | -179.7 | 0 | 0 | 0 | 0 | 109.5 | I1401 G1408 R1409 V1411 F1440 R1453 L1455 | I1401-V1451 HydrophobicContact CD1-CG2 4.15Å; G1408-V1451 PolarHBondContact N-O 2.8Å; R1409-V1451 HydrophobicContact CB-CG2 4.33Å; R1409-V1451 PolarHBondContact O-N 3.13Å; V1411-V1451 HydrophobicContact CG2-CG2 3.87Å; F1440-V1451 HydrophobicContact CE1-CG2 4.27Å; V1451-R1453 WeakPolarHBondContact CG1-O 3.08Å; V1451-L1455 HydrophobicContact CG1-CD1 3.88Å; V1451-L1455 HydrophobicContact CG1-CG 4.11Å; V1451-L1455 HydrophobicContact CG2-CD1 3.95Å |
| 1452 | A | 65.8 | Low | 76.7 | Confident | 13 Ų | 13 | 47.2 Ų | 47.2 | 11% | 0.107 | 25% | 0.247 | C | C | . | . | trans | -102 | -32.1 | -175.1 | 0 | 0 | 0 | 0 | 0 | 114.2 | V1407 Q1439 F1440 T1441 L2042 | V1407-A1452 VanDerWaalsContact CG1-O 3.3Å; V1407-A1452 WeakPolarHBondContact CG1-O 3.08Å; Q1439-A1452 PolarHBondContact O-N 2.86Å; F1440-A1452 VanDerWaalsContact C-CB 3.48Å; F1440-A1452 WeakPolarHBondContact O-CB 3.38Å; T1441-A1452 HydrophobicContact CG2-CB 3.96Å; A1452-L2042 HydrophobicContact CB-CD2 3.77Å | ||
| 1453 | R | 66.5 | Low | 76.9 | Confident | 70 Ų | 70 | 46.6 Ų | 46.6 | 26% | 0.264 | 24% | 0.243 | S | C | . | . | S | Bend | trans | -135.3 | 165.3 | 177.8 | -65.8 | 178.5 | 170 | 175.9 | -9.2 | 109.5 | K1437 R1438 Q1439 V1451 G1977 | K1437-R1453 WeakPolarHBondContact O-CD 3.43Å; K1437-R1453 PolarHBondContact O-NH1 3.05Å; R1438-R1453 VanDerWaalsContact O-CD 3.29Å; R1438-R1453 WeakPolarHBondContact O-CD 3.44Å; R1438-R1453 WeakPolarHBondContact O-CG 3.48Å; Q1439-R1453 HydrophobicContact CG-CB 4Å; Q1439-R1453 PolarHBondContact O-N 2.78Å; V1451-R1453 WeakPolarHBondContact CG1-O 3.08Å; R1453-G1977 PolarHBondContact NH2-O 2.82Å |
| 1454 | P | 69.6 | Low | 77.7 | Confident | 84 Ų | 84 | 52 Ų | 52 | 55% | 0.545 | 26% | 0.258 | S | S | . | . | trans | -53.6 | 146.7 | 171.5 | -25 | 35.6 | 0 | 0 | 0 | 111.6 | V1407 Q1439 | V1407-P1454 HydrophobicContact CG2-CG 4.48Å; Q1439-P1454 PolarHBondContact NE2-O 2.88Å | ||
| 1455 | L | 82.1 | Confident | 78.8 | Confident | 12 Ų | 12 | 47.8 Ų | 47.8 | 6% | 0.063 | 24% | 0.235 | C | C | . | . | trans | -104.3 | 149.1 | 177.3 | -65.4 | 163.1 | 0 | 0 | 0 | 108.3 | I1401 E1403 A1405 Q1439 F1440 V1451 Y1463 L1485 | I1401-L1455 HydrophobicContact CD1-CD1 3.44Å; I1401-L1455 VanDerWaalsContact CD1-CD1 3.44Å; I1401-L1455 HydrophobicContact CG1-CD1 4.2Å; E1403-L1455 HydrophobicContact CB-CB 4.22Å; A1405-L1455 HydrophobicContact CB-CD1 4.33Å; Q1439-L1455 HydrophobicContact CB-CD2 3.79Å; Q1439-L1455 HydrophobicContact CG-CD2 4.33Å; F1440-L1455 HydrophobicContact CE2-CD2 3.86Å; F1440-L1455 HydrophobicContact CZ-CD1 4.37Å; F1440-L1455 HydrophobicContact CZ-CD2 3.68Å; V1451-L1455 HydrophobicContact CG1-CD1 3.88Å; V1451-L1455 HydrophobicContact CG1-CG 4.11Å; V1451-L1455 HydrophobicContact CG2-CD1 3.95Å; L1455-Y1463 HydrophobicContact CD2-CE2 3.97Å; L1455-L1485 HydrophobicContact CB-CD1 3.89Å; L1455-L1485 HydrophobicContact CB-CD2 4.14Å; L1455-L1485 HydrophobicContact CD1-CD2 3.92Å; L1455-L1485 HydrophobicContact CD2-CD2 4.23Å; L1455-L1485 HydrophobicContact CG-CD2 4.33Å | ||
| 1456 | D | 80.2 | Confident | 79.7 | Confident | 72 Ų | 72 | 46 Ų | 46 | 39% | 0.385 | 23% | 0.226 | S | C | . | . | trans | -150.3 | 118.5 | -172.8 | 178.4 | -37.8 | 0 | 0 | 0 | 106.2 | E1458 D1459 I1460 | D1456-E1458 PolarHBondContact OD1-N 3.47Å; D1456-D1459 HydrophobicContact CB-CB 3.91Å; D1456-D1459 VanDerWaalsContact OD1-CB 3.26Å; D1456-D1459 WeakPolarHBondContact OD1-CB 3.35Å; D1456-D1459 PolarHBondContact OD1-N 2.79Å; D1456-I1460 PolarHBondContact O-N 2.81Å | ||
| 1457 | R | 84.8 | Confident | 80.5 | Confident | 27 Ų | 27 | 42.6 Ų | 42.6 | 10% | 0.102 | 21% | 0.207 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -84.9 | -28.2 | -171.6 | -169.4 | -163.6 | 67.4 | 64.3 | -4.5 | 112.6 | E1403 P1461 L1485 D1487 R1521 L1523 | E1403-R1457 WeakPolarHBondContact OE2-CB 3.14Å; E1403-R1457 PolarHBondContact OE2-N 2.88Å; R1457-P1461 HydrophobicContact CG-CB 3.81Å; R1457-P1461 WeakPolarHBondContact O-CD 3.34Å; R1457-L1485 HydrophobicContact CB-CB 4.12Å; R1457-L1485 HydrophobicContact CB-CD1 4.25Å; R1457-L1485 HydrophobicContact CG-CB 3.94Å; R1457-D1487 IonicContact CZ-OD1 2.77Å; R1457-D1487 IonicContact NE-OD1 2.66Å; R1457-D1487 PolarHBondContact NE-OD1 3.14Å; R1457-D1487 IonicContact NH2-OD1 2.92Å; R1457-D1487 PolarHBondContact NH2-OD1 3.2Å; R1457-R1521 PolarHBondContact NH2-O 2.86Å; R1457-L1523 VanDerWaalsContact NH2-N 3.15Å |
| 1458 | E | 82.2 | Confident | 80.8 | Confident | 56 Ų | 56 | 43.5 Ų | 43.5 | 26% | 0.262 | 21% | 0.212 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -68.3 | -29.3 | 172.7 | -75.7 | 58.1 | -110.4 | 0 | 0 | 110.8 | D1456 N1491 R1521 | D1456-E1458 PolarHBondContact OD1-N 3.47Å; E1458-N1491 PolarHBondContact OE2-ND2 2.57Å; E1458-R1521 HydrophobicContact CG-CB 3.55Å |
| 1459 | D | 73 | Confident | 80.8 | Confident | 74 Ų | 74 | 41.6 Ų | 41.6 | 40% | 0.396 | 20% | 0.201 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -82.2 | -52.5 | 174.3 | -164.7 | 41.1 | 0 | 0 | 0 | 112.6 | K1437 D1456 | K1437-D1459 VanDerWaalsContact CD-OD2 3.23Å; K1437-D1459 WeakPolarHBondContact CD-OD2 3.37Å; K1437-D1459 WeakPolarHBondContact CE-OD2 3.46Å; K1437-D1459 IonicContact NZ-OD1 2.86Å; K1437-D1459 PolarHBondContact NZ-OD1 2.86Å; K1437-D1459 IonicContact NZ-OD2 2.74Å; K1437-D1459 PolarHBondContact NZ-OD2 2.04Å; D1456-D1459 HydrophobicContact CB-CB 3.91Å; D1456-D1459 VanDerWaalsContact OD1-CB 3.26Å; D1456-D1459 WeakPolarHBondContact OD1-CB 3.35Å; D1456-D1459 PolarHBondContact OD1-N 2.79Å |
| 1460 | I | 77.9 | Confident | 80.4 | Confident | 30 Ų | 30 | 42.4 Ų | 42.4 | 15% | 0.154 | 21% | 0.206 | C | C | . | . | trans | -144.7 | 104.6 | 174.9 | -55.1 | 179.6 | 0 | 0 | 0 | 111.7 | K1437 D1456 Y1463 L1485 | K1437-I1460 HydrophobicContact CD-CD1 3.9Å; K1437-I1460 HydrophobicContact CG-CD1 4.07Å; D1456-I1460 PolarHBondContact O-N 2.81Å; I1460-Y1463 HydrophobicContact CB-CE1 4.05Å; I1460-Y1463 HydrophobicContact CB-CE2 4.36Å; I1460-Y1463 HydrophobicContact CD1-CE1 3.95Å; I1460-Y1463 HydrophobicContact CG2-CD1 4.03Å; I1460-Y1463 HydrophobicContact CG2-CD2 4.35Å; I1460-Y1463 HydrophobicContact CG2-CE1 3.72Å; I1460-Y1463 HydrophobicContact CG2-CE2 4.02Å; I1460-Y1463 HydrophobicContact CG2-CG 4.32Å; I1460-L1485 VanDerWaalsContact O-CD1 3.28Å; I1460-L1485 WeakPolarHBondContact O-CD1 3.46Å | ||
| 1461 | P | 79.9 | Confident | 80 | Confident | 72 Ų | 72 | 40.1 Ų | 40.1 | 47% | 0.468 | 20% | 0.197 | S | C | . | . | S | Bend | trans | -79.9 | -20.9 | -175.9 | 29.8 | -35.8 | 0 | 0 | 0 | 115.4 | R1457 L1485 | R1457-P1461 HydrophobicContact CG-CB 3.81Å; R1457-P1461 WeakPolarHBondContact O-CD 3.34Å; P1461-L1485 PolarHBondContact O-N 2.83Å |
| 1462 | Q | 86.5 | Confident | 79.2 | Confident | 63 Ų | 63 | 43 Ų | 43 | 29% | 0.294 | 22% | 0.217 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -146.8 | 127.5 | 179.5 | 173.8 | 175.8 | 104 | 0 | 0 | 110.6 | V1482 V1483 N1484 | Q1462-V1482 VanDerWaalsContact CD-CG1 3.47Å; Q1462-V1482 HydrophobicContact CG-CG1 3.67Å; Q1462-V1483 WeakPolarHBondContact CA-O 3.34Å; Q1462-N1484 PolarHBondContact NE2-OD1 3.31Å |
| 1463 | Y | 85.7 | Confident | 79.1 | Confident | 7 Ų | 7 | 44 Ų | 44 | 3% | 0.027 | 23% | 0.225 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -99.6 | 151.9 | 170.5 | -51.8 | -102.4 | 0 | 0 | 0 | 109.9 | Q1439 F1440 L1455 I1460 V1482 V1483 L1485 | Q1439-Y1463 HydrophobicContact CB-CE1 4.3Å; Q1439-Y1463 VanDerWaalsContact CD-OH 3.24Å; Q1439-Y1463 PolarHBondContact NE2-OH 3.17Å; Q1439-Y1463 PolarHBondContact OE1-OH 2.63Å; F1440-Y1463 HydrophobicContact CD2-CD1 4.26Å; F1440-Y1463 HydrophobicContact CD2-CG 4.42Å; F1440-Y1463 AromaticContact CE2-CD1 3.66Å; F1440-Y1463 HydrophobicContact CE2-CD1 3.66Å; F1440-Y1463 AromaticContact CE2-CD2 3.67Å; F1440-Y1463 HydrophobicContact CE2-CD2 3.67Å; F1440-Y1463 AromaticContact CE2-CE1 3.87Å; F1440-Y1463 HydrophobicContact CE2-CE1 3.87Å; F1440-Y1463 AromaticContact CE2-CE2 3.93Å; F1440-Y1463 HydrophobicContact CE2-CE2 3.93Å; F1440-Y1463 AromaticContact CE2-CG 3.57Å; F1440-Y1463 HydrophobicContact CE2-CG 3.57Å; F1440-Y1463 AromaticContact CZ-CD2 3.98Å; F1440-Y1463 HydrophobicContact CZ-CD2 3.98Å; F1440-Y1463 HydrophobicContact CZ-CE2 4.24Å; F1440-Y1463 HydrophobicContact CZ-CG 4.27Å; L1455-Y1463 HydrophobicContact CD2-CE2 3.97Å; I1460-Y1463 HydrophobicContact CB-CE1 4.05Å; I1460-Y1463 HydrophobicContact CB-CE2 4.36Å; I1460-Y1463 HydrophobicContact CD1-CE1 3.95Å; I1460-Y1463 HydrophobicContact CG2-CD1 4.03Å; I1460-Y1463 HydrophobicContact CG2-CD2 4.35Å; I1460-Y1463 HydrophobicContact CG2-CE1 3.72Å; I1460-Y1463 HydrophobicContact CG2-CE2 4.02Å; I1460-Y1463 HydrophobicContact CG2-CG 4.32Å; Y1463-V1482 WeakPolarHBondContact O-CA 3.31Å; Y1463-V1483 HydrophobicContact CD2-CB 4.38Å; Y1463-V1483 PolarHBondContact N-O 2.81Å; Y1463-V1483 PolarHBondContact O-N 2.98Å; Y1463-L1485 HydrophobicContact CE2-CD1 3.91Å; Y1463-L1485 HydrophobicContact CE2-CD2 4.05Å; Y1463-L1485 HydrophobicContact CE2-CG 3.86Å |
| 1464 | R | 86.9 | Confident | 79 | Confident | 131 Ų | 131 | 46.8 Ų | 46.8 | 49% | 0.494 | 24% | 0.243 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.4 | 60.2 | 178.4 | -67.6 | -176.4 | 166.9 | -109.8 | -12.5 | 109.5 | S1434 R1466 T1480 L1481 V1482 | S1434-R1464 WeakPolarHBondContact CB-O 3.22Å; R1464-R1466 PolarHBondContact O-N 2.65Å; R1464-R1466 VanDerWaalsContact O-N 3.13Å; R1464-T1480 HydrophobicContact CB-CG2 4.35Å; R1464-L1481 CarbonylContact C-O 3.59Å; R1464-V1482 HydrophobicContact CG-CG2 4.47Å |
| 1465 | L | 86.6 | Confident | 79 | Confident | 0 Ų | 0 | 44.8 Ų | 44.8 | 0% | 0 | 23% | 0.227 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -59.6 | 112.3 | -171.1 | -56 | 175.3 | 0 | 0 | 0 | 109.7 | I1430 S1434 D1435 F1440 L1449 I1467 T1480 L1481 V1483 | I1430-L1465 HydrophobicContact CG2-CD2 4.49Å; S1434-L1465 WeakPolarHBondContact OG-CA 3.34Å; D1435-L1465 HydrophobicContact CB-CD2 3.72Å; F1440-L1465 HydrophobicContact CB-CD1 4.04Å; F1440-L1465 HydrophobicContact CB-CD2 4.48Å; F1440-L1465 HydrophobicContact CD1-CD1 3.95Å; F1440-L1465 HydrophobicContact CD2-CD1 3.8Å; F1440-L1465 HydrophobicContact CD2-CD2 3.82Å; F1440-L1465 HydrophobicContact CD2-CG 4.4Å; F1440-L1465 HydrophobicContact CE1-CD1 4.4Å; F1440-L1465 HydrophobicContact CE2-CD1 4.28Å; F1440-L1465 HydrophobicContact CE2-CD2 4.45Å; F1440-L1465 HydrophobicContact CG-CD1 3.63Å; F1440-L1465 HydrophobicContact CG-CD2 4.3Å; L1449-L1465 HydrophobicContact CD1-CD1 4.38Å; L1449-L1465 HydrophobicContact CD2-CD1 3.74Å; L1465-I1467 HydrophobicContact CB-CD1 4.41Å; L1465-I1467 HydrophobicContact CB-CG1 4.39Å; L1465-T1480 WeakPolarHBondContact O-CA 3.42Å; L1465-L1481 HydrophobicContact CD1-CD2 4.5Å; L1465-L1481 PolarHBondContact N-O 3.04Å; L1465-L1481 PolarHBondContact O-N 2.84Å; L1465-V1483 HydrophobicContact CD1-CG2 3.6Å; L1465-V1483 HydrophobicContact CG-CG2 4.24Å |
| 1466 | R | 86.3 | Confident | 78.8 | Confident | 84 Ų | 84 | 47.1 Ų | 47.1 | 32% | 0.317 | 24% | 0.242 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -88.8 | 120.1 | 172.3 | -174.4 | 153.3 | 177.6 | -109 | 5.2 | 107.5 | Q1431 S1434 R1464 D1478 | Q1431-R1466 HydrophobicContact CB-CB 4.13Å; Q1431-R1466 HydrophobicContact CB-CG 4.47Å; Q1431-R1466 PolarHBondContact N-O 2.8Å; S1434-R1466 PolarHBondContact OG-N 3.1Å; R1464-R1466 PolarHBondContact O-N 2.65Å; R1464-R1466 VanDerWaalsContact O-N 3.13Å; R1466-D1478 IonicContact CZ-OD1 3.88Å; R1466-D1478 IonicContact CZ-OD2 2.66Å; R1466-D1478 IonicContact NE-OD1 2.68Å; R1466-D1478 IonicContact NE-OD2 2.63Å; R1466-D1478 PolarHBondContact NE-OD2 2.88Å; R1466-D1478 IonicContact NH2-OD1 2.7Å; R1466-D1478 PolarHBondContact NH2-OD1 2.73Å; R1466-D1478 IonicContact NH2-OD2 3.76Å; R1466-D1478 PolarHBondContact NH2-OD2 3.01Å |
| 1467 | I | 87.1 | Confident | 78.8 | Confident | 0 Ų | 0 | 44.2 Ų | 44.2 | 0% | 0 | 23% | 0.229 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.4 | 122.9 | -169 | -66.6 | 173.9 | 0 | 0 | 0 | 106.8 | F1392 F1414 R1429 I1430 I1442 L1449 L1465 D1478 Q1479 L1481 | F1392-I1467 HydrophobicContact CZ-CG2 4.24Å; F1414-I1467 HydrophobicContact CD2-CG2 4.36Å; F1414-I1467 HydrophobicContact CE2-CD1 3.57Å; F1414-I1467 HydrophobicContact CE2-CG2 4.14Å; F1414-I1467 HydrophobicContact CZ-CD1 3.61Å; F1414-I1467 HydrophobicContact CZ-CG2 4.46Å; R1429-I1467 WeakPolarHBondContact O-CA 3.47Å; I1430-I1467 HydrophobicContact CG1-CG1 4.46Å; I1442-I1467 HydrophobicContact CD1-CD1 4.47Å; I1442-I1467 HydrophobicContact CD1-CG2 3.57Å; L1449-I1467 HydrophobicContact CD1-CD1 4.21Å; L1449-I1467 HydrophobicContact CD2-CD1 4.16Å; L1465-I1467 HydrophobicContact CB-CD1 4.41Å; L1465-I1467 HydrophobicContact CB-CG1 4.39Å; I1467-D1478 CarbonylContact O-C 3.57Å; I1467-D1478 WeakPolarHBondContact O-CA 3.49Å; I1467-Q1479 PolarHBondContact N-O 2.83Å; I1467-Q1479 PolarHBondContact O-N 2.75Å; I1467-L1481 HydrophobicContact CD1-CB 4.25Å; I1467-L1481 HydrophobicContact CD1-CD2 4.42Å |
| 1468 | E | 83.2 | Confident | 78.8 | Confident | 20 Ų | 20 | 46.5 Ų | 46.5 | 9% | 0.093 | 24% | 0.243 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.9 | 145.9 | -174.7 | -70.6 | 169.1 | -159.1 | 0 | 0 | 109.4 | F1428 R1429 V1476 G1477 D1478 | F1428-E1468 CarbonylContact C-O 3.58Å; F1428-E1468 WeakPolarHBondContact CA-O 3.3Å; R1429-E1468 HydrophobicContact CG-CB 3.8Å; R1429-E1468 IonicContact CZ-OE2 3.08Å; R1429-E1468 PolarHBondContact N-O 2.86Å; R1429-E1468 IonicContact NE-OE2 3.7Å; R1429-E1468 PolarHBondContact NE-OE2 2.85Å; R1429-E1468 IonicContact NH2-OE2 2.77Å; R1429-E1468 PolarHBondContact NH2-OE2 3.04Å; R1429-E1468 PolarHBondContact O-N 2.84Å; E1468-V1476 HydrophobicContact CB-CG1 3.85Å; E1468-V1476 HydrophobicContact CG-CG1 3.93Å; E1468-G1477 CarbonylContact C-O 3.45Å; E1468-G1477 WeakPolarHBondContact CA-O 3.48Å; E1468-D1478 HydrophobicContact CG-CB 4.04Å |
| 1469 | V | 83.8 | Confident | 78.8 | Confident | 0 Ų | 0 | 45 Ų | 45 | 0% | 0 | 24% | 0.236 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.4 | 129.2 | 173 | 66.5 | 0 | 0 | 0 | 0 | 108.4 | P1390 F1392 V1416 F1426 F1428 V1476 G1477 | P1390-V1469 HydrophobicContact CB-CG1 4.39Å; P1390-V1469 HydrophobicContact CG-CG1 4.17Å; F1392-V1469 HydrophobicContact CD2-CG1 3.91Å; F1392-V1469 HydrophobicContact CE1-CB 4.19Å; F1392-V1469 HydrophobicContact CE1-CG1 4.12Å; F1392-V1469 HydrophobicContact CE2-CB 4.07Å; F1392-V1469 HydrophobicContact CE2-CG1 3.42Å; F1392-V1469 VanDerWaalsContact CE2-CG1 3.42Å; F1392-V1469 HydrophobicContact CG-CG1 4.44Å; F1392-V1469 HydrophobicContact CZ-CB 3.68Å; F1392-V1469 HydrophobicContact CZ-CG1 3.54Å; V1416-V1469 HydrophobicContact CG1-CB 4.36Å; V1416-V1469 HydrophobicContact CG1-CG1 3.65Å; V1416-V1469 HydrophobicContact CG1-CG2 3.86Å; V1416-V1469 HydrophobicContact CG2-CG2 3.84Å; F1426-V1469 HydrophobicContact CB-CG2 3.7Å; F1426-V1469 HydrophobicContact CG-CG2 4.3Å; F1428-V1469 HydrophobicContact CD1-CB 3.74Å; F1428-V1469 HydrophobicContact CD1-CG2 3.66Å; F1428-V1469 HydrophobicContact CE1-CB 3.83Å; F1428-V1469 HydrophobicContact CE1-CG2 3.51Å; F1428-V1469 HydrophobicContact CG-CG2 4.29Å; F1428-V1469 HydrophobicContact CZ-CG2 4.05Å; V1469-V1476 WeakPolarHBondContact O-CA 3.44Å; V1469-G1477 PolarHBondContact N-O 2.67Å; V1469-G1477 PolarHBondContact O-N 2.94Å |
| 1470 | V | 77.4 | Confident | 79.4 | Confident | 16 Ų | 16 | 44.1 Ų | 44.1 | 10% | 0.097 | 23% | 0.234 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.4 | 131.2 | -171.3 | -170.4 | 0 | 0 | 0 | 0 | 108.2 | F1426 D1427 M1474 N1475 V1476 | F1426-V1470 CarbonylContact C-O 3.54Å; F1426-V1470 WeakPolarHBondContact CA-O 3.24Å; D1427-V1470 PolarHBondContact N-O 2.71Å; D1427-V1470 PolarHBondContact O-N 2.87Å; V1470-M1474 HydrophobicContact CG1-CB 4.15Å; V1470-M1474 HydrophobicContact CG1-CG 4.27Å; V1470-N1475 WeakPolarHBondContact CA-O 3.01Å; V1470-V1476 HydrophobicContact CG2-CG1 4.46Å; V1470-V1476 HydrophobicContact CG2-CG2 4.24Å |
| 1471 | D | 74.7 | Confident | 79.9 | Confident | 11 Ų | 11 | 42.7 Ų | 42.7 | 6% | 0.059 | 23% | 0.226 | C | C | . | . | trans | -82.6 | -164.5 | 177.1 | 71.7 | -3.6 | 0 | 0 | 0 | 112.5 | N1386 P1390 F1426 A1473 M1474 N1475 | N1386-D1471 PolarHBondContact ND2-OD2 3.21Å; P1390-D1471 HydrophobicContact CB-CB 4.41Å; P1390-D1471 HydrophobicContact CG-CB 3.98Å; F1426-D1471 HydrophobicContact CD1-CB 4.21Å; F1426-D1471 HydrophobicContact CE1-CB 4.32Å; D1471-A1473 WeakPolarHBondContact OD1-CA 3.27Å; D1471-A1473 PolarHBondContact OD1-N 2.86Å; D1471-M1474 WeakPolarHBondContact OD1-CA 3.07Å; D1471-M1474 PolarHBondContact OD1-N 2.87Å; D1471-N1475 PolarHBondContact N-O 3.06Å; D1471-N1475 PolarHBondContact OD1-N 3.09Å; D1471-N1475 WeakPolarHBondContact OD2-CB 3.2Å; D1471-N1475 PolarHBondContact OD2-ND2 3.44Å; D1471-N1475 VanDerWaalsContact OD2-ND2 3.17Å | ||
| 1472 | S | 64 | Low | 80.2 | Confident | 60 Ų | 60 | 39.9 Ų | 39.9 | 42% | 0.42 | 21% | 0.208 | S | C | . | . | S | Bend | trans | -78 | -21.6 | 175.5 | 78.1 | 0 | 0 | 0 | 0 | 114.4 | D1423 R2270 | D1423-S1472 WeakPolarHBondContact OD2-CA 3.5Å; D1423-S1472 WeakPolarHBondContact OD2-CB 3.43Å; D1423-S1472 PolarHBondContact OD2-N 3.38Å; D1423-S1472 PolarHBondContact OD2-OG 3.49Å; S1472-R2270 PolarHBondContact O-NH1 2.78Å |
| 1473 | A | 62.9 | Low | 80.3 | Confident | 34 Ų | 34 | 36.9 Ų | 36.9 | 28% | 0.281 | 19% | 0.194 | S | C | . | . | S | Bend | trans | -74.4 | -35.7 | 173.9 | 0 | 0 | 0 | 0 | 0 | 112.2 | N1386 D1471 R2270 | N1386-A1473 HydrophobicContact CB-CB 4.29Å; N1386-A1473 WeakPolarHBondContact ND2-CB 3.35Å; N1386-A1473 WeakPolarHBondContact O-CB 3.31Å; D1471-A1473 WeakPolarHBondContact OD1-CA 3.27Å; D1471-A1473 PolarHBondContact OD1-N 2.86Å; A1473-R2270 PolarHBondContact O-NH2 2.79Å |
| 1474 | M | 65.3 | Low | 80.3 | Confident | 130 Ų | 130 | 38.4 Ų | 38.4 | 64% | 0.64 | 20% | 0.202 | S | C | * | . | trans | 93.7 | 21.4 | -159.9 | -56.3 | -171.6 | -30.1 | 0 | 0 | 115.7 | V1470 D1471 V1476 | V1470-M1474 HydrophobicContact CG1-CB 4.15Å; V1470-M1474 HydrophobicContact CG1-CG 4.27Å; D1471-M1474 WeakPolarHBondContact OD1-CA 3.07Å; D1471-M1474 PolarHBondContact OD1-N 2.87Å; M1474-V1476 WeakPolarHBondContact O-CG2 3.42Å | ||
| 1475 | N | 69.4 | Low | 80.3 | Confident | 42 Ų | 42 | 32.8 Ų | 32.8 | 23% | 0.225 | 18% | 0.182 | C | C | . | . | trans | -69.8 | 139.7 | 165 | -52.3 | -29.5 | 0 | 0 | 0 | 108.6 | N1386 N1388 A1389 P1390 V1470 D1471 | N1386-N1475 PolarHBondContact ND2-ND2 2.83Å; N1386-N1475 PolarHBondContact O-ND2 2.84Å; N1388-N1475 WeakPolarHBondContact O-CB 3.12Å; N1388-N1475 PolarHBondContact O-ND2 2.63Å; A1389-N1475 HydrophobicContact CB-CB 4.2Å; P1390-N1475 WeakPolarHBondContact CD-O 3.41Å; V1470-N1475 WeakPolarHBondContact CA-O 3.01Å; D1471-N1475 PolarHBondContact N-O 3.06Å; D1471-N1475 PolarHBondContact OD1-N 3.09Å; D1471-N1475 WeakPolarHBondContact OD2-CB 3.2Å; D1471-N1475 PolarHBondContact OD2-ND2 3.44Å; D1471-N1475 VanDerWaalsContact OD2-ND2 3.17Å | ||
| 1476 | V | 77.1 | Confident | 80.2 | Confident | 61 Ų | 61 | 36.8 Ų | 36.8 | 37% | 0.37 | 20% | 0.203 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.3 | 116.2 | -168.8 | -171.9 | 0 | 0 | 0 | 0 | 111.1 | E1468 V1469 V1470 M1474 | E1468-V1476 HydrophobicContact CB-CG1 3.85Å; E1468-V1476 HydrophobicContact CG-CG1 3.93Å; V1469-V1476 WeakPolarHBondContact O-CA 3.44Å; V1470-V1476 HydrophobicContact CG2-CG1 4.46Å; V1470-V1476 HydrophobicContact CG2-CG2 4.24Å; M1474-V1476 WeakPolarHBondContact O-CG2 3.42Å |
| 1477 | G | 80.7 | Confident | 80 | Confident | 11 Ų | 11 | 33.7 Ų | 33.7 | 11% | 0.113 | 19% | 0.193 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -87.4 | 144.5 | 160.7 | 0 | 0 | 0 | 0 | 0 | 110.5 | P1390 E1468 V1469 | P1390-G1477 WeakPolarHBondContact O-CA 3.16Å; E1468-G1477 CarbonylContact C-O 3.45Å; E1468-G1477 WeakPolarHBondContact CA-O 3.48Å; V1469-G1477 PolarHBondContact N-O 2.67Å; V1469-G1477 PolarHBondContact O-N 2.94Å |
| 1478 | D | 84 | Confident | 79.8 | Confident | 75 Ų | 75 | 35.1 Ų | 35.1 | 40% | 0.401 | 20% | 0.201 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.1 | 154.3 | 176.8 | 94.1 | -108 | 0 | 0 | 0 | 113.8 | R1466 I1467 E1468 | R1466-D1478 IonicContact CZ-OD1 3.88Å; R1466-D1478 IonicContact CZ-OD2 2.66Å; R1466-D1478 IonicContact NE-OD1 2.68Å; R1466-D1478 IonicContact NE-OD2 2.63Å; R1466-D1478 PolarHBondContact NE-OD2 2.88Å; R1466-D1478 IonicContact NH2-OD1 2.7Å; R1466-D1478 PolarHBondContact NH2-OD1 2.73Å; R1466-D1478 IonicContact NH2-OD2 3.76Å; R1466-D1478 PolarHBondContact NH2-OD2 3.01Å; I1467-D1478 CarbonylContact O-C 3.57Å; I1467-D1478 WeakPolarHBondContact O-CA 3.49Å; E1468-D1478 HydrophobicContact CG-CB 4.04Å |
| 1479 | Q | 83.1 | Confident | 79.7 | Confident | 23 Ų | 23 | 34.7 Ų | 34.7 | 11% | 0.107 | 20% | 0.199 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -149.9 | 137 | -179.7 | 164.8 | 67.3 | -2 | 0 | 0 | 110.1 | F1392 P1395 P1396 H1397 F1414 I1467 | F1392-Q1479 HydrophobicContact CD1-CB 4.47Å; F1392-Q1479 HydrophobicContact CD2-CB 3.74Å; F1392-Q1479 HydrophobicContact CE1-CB 4.44Å; F1392-Q1479 HydrophobicContact CE2-CB 3.72Å; F1392-Q1479 HydrophobicContact CG-CB 4.13Å; F1392-Q1479 HydrophobicContact CZ-CB 4.08Å; P1395-Q1479 HydrophobicContact CB-CG 3.76Å; P1395-Q1479 HydrophobicContact CG-CG 4.24Å; P1396-Q1479 PolarHBondContact O-NE2 2.94Å; H1397-Q1479 PolarHBondContact CE1-NE2 3.27Å; H1397-Q1479 PolarHBondContact ND1-NE2 3.15Å; H1397-Q1479 VanDerWaalsContact ND1-NE2 3.13Å; F1414-Q1479 HydrophobicContact CE1-CG 3.99Å; I1467-Q1479 PolarHBondContact N-O 2.83Å; I1467-Q1479 PolarHBondContact O-N 2.75Å |
| 1480 | T | 85.9 | Confident | 79.6 | Confident | 56 Ų | 56 | 39.8 Ų | 39.8 | 34% | 0.344 | 23% | 0.227 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -101.5 | 125.5 | 175.6 | -60.3 | 0 | 0 | 0 | 0 | 112.4 | R1464 L1465 | R1464-T1480 HydrophobicContact CB-CG2 4.35Å; L1465-T1480 WeakPolarHBondContact O-CA 3.42Å |
| 1481 | L | 87.9 | Confident | 79.7 | Confident | 0 Ų | 0 | 41 Ų | 41 | 0% | 0 | 23% | 0.233 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.2 | 122.9 | 172.6 | 177.1 | 77 | 0 | 0 | 0 | 110.9 | P1396 V1399 V1411 V1412 L1449 R1464 L1465 I1467 V1483 | P1396-L1481 HydrophobicContact CB-CD1 4.32Å; P1396-L1481 HydrophobicContact CG-CD1 4.45Å; P1396-L1481 VanDerWaalsContact O-CD1 3.3Å; P1396-L1481 WeakPolarHBondContact O-CD1 3.41Å; V1399-L1481 HydrophobicContact CG1-CD1 4.16Å; V1399-L1481 HydrophobicContact CG1-CD2 4.18Å; V1399-L1481 HydrophobicContact CG1-CG 4.31Å; V1411-L1481 HydrophobicContact CG1-CD2 4.45Å; V1412-L1481 HydrophobicContact CG1-CD1 4.24Å; V1412-L1481 HydrophobicContact CG1-CD2 4.37Å; V1412-L1481 HydrophobicContact CG2-CD1 4.35Å; V1412-L1481 HydrophobicContact CG2-CD2 3.5Å; L1449-L1481 HydrophobicContact CD2-CD2 3.33Å; R1464-L1481 CarbonylContact C-O 3.59Å; L1465-L1481 HydrophobicContact CD1-CD2 4.5Å; L1465-L1481 PolarHBondContact N-O 3.04Å; L1465-L1481 PolarHBondContact O-N 2.84Å; I1467-L1481 HydrophobicContact CD1-CB 4.25Å; I1467-L1481 HydrophobicContact CD1-CD2 4.42Å; L1481-V1483 HydrophobicContact CD2-CG2 3.91Å; L1481-V1483 HydrophobicContact CG-CG2 4.19Å |
| 1482 | V | 86.7 | Confident | 80 | Confident | 14 Ų | 14 | 41.3 Ų | 41.3 | 9% | 0.085 | 24% | 0.237 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -87.9 | 119.3 | 172.8 | -174.3 | 0 | 0 | 0 | 0 | 110.4 | H1397 M1398 V1399 Q1462 Y1463 R1464 | H1397-V1482 PolarHBondContact O-N 2.81Å; M1398-V1482 CarbonylContact C-O 3.54Å; M1398-V1482 VanDerWaalsContact CA-O 3.3Å; M1398-V1482 WeakPolarHBondContact CA-O 3.36Å; M1398-V1482 HydrophobicContact CB-CB 4.39Å; M1398-V1482 HydrophobicContact CE-CB 4.3Å; M1398-V1482 HydrophobicContact CE-CG1 4.29Å; M1398-V1482 HydrophobicContact CG-CB 4.11Å; M1398-V1482 HydrophobicContact CG-CG1 4.41Å; V1399-V1482 PolarHBondContact N-O 2.91Å; Q1462-V1482 VanDerWaalsContact CD-CG1 3.47Å; Q1462-V1482 HydrophobicContact CG-CG1 3.67Å; Y1463-V1482 WeakPolarHBondContact O-CA 3.31Å; R1464-V1482 HydrophobicContact CG-CG2 4.47Å |
| 1483 | V | 87.8 | Confident | 81.1 | Confident | 0 Ų | 0 | 38.4 Ų | 38.4 | 0% | 0 | 22% | 0.217 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.5 | 109.5 | 175 | -173.6 | 0 | 0 | 0 | 0 | 109 | V1399 I1401 V1411 F1440 Q1462 Y1463 L1465 L1481 | V1399-V1483 HydrophobicContact CG1-CB 4.2Å; V1399-V1483 HydrophobicContact CG1-CG1 4.13Å; V1399-V1483 HydrophobicContact CG1-CG2 3.75Å; I1401-V1483 HydrophobicContact CD1-CG1 3.6Å; I1401-V1483 HydrophobicContact CG1-CG1 3.81Å; V1411-V1483 HydrophobicContact CG1-CG2 4.47Å; F1440-V1483 HydrophobicContact CE1-CG1 4.06Å; F1440-V1483 HydrophobicContact CE1-CG2 4.37Å; F1440-V1483 HydrophobicContact CZ-CB 4.27Å; F1440-V1483 HydrophobicContact CZ-CG1 3.81Å; F1440-V1483 HydrophobicContact CZ-CG2 4.39Å; Q1462-V1483 WeakPolarHBondContact CA-O 3.34Å; Y1463-V1483 HydrophobicContact CD2-CB 4.38Å; Y1463-V1483 PolarHBondContact N-O 2.81Å; Y1463-V1483 PolarHBondContact O-N 2.98Å; L1465-V1483 HydrophobicContact CD1-CG2 3.6Å; L1465-V1483 HydrophobicContact CG-CG2 4.24Å; L1481-V1483 HydrophobicContact CD2-CG2 3.91Å; L1481-V1483 HydrophobicContact CG-CG2 4.19Å |
| 1484 | N | 85.2 | Confident | 82.1 | Confident | 38 Ų | 38 | 40.3 Ų | 40.3 | 20% | 0.203 | 22% | 0.219 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -87 | 135.5 | 173 | -53.9 | -40.6 | 0 | 0 | 0 | 110.3 | M1398 V1399 S1400 I1401 Q1462 | M1398-N1484 PolarHBondContact SD-ND2 3.21Å; M1398-N1484 VanDerWaalsContact SD-ND2 3.45Å; V1399-N1484 PolarHBondContact O-N 2.97Å; S1400-N1484 WeakPolarHBondContact CA-O 3.41Å; S1400-N1484 PolarHBondContact OG-ND2 3.2Å; I1401-N1484 PolarHBondContact N-O 2.72Å; Q1462-N1484 PolarHBondContact NE2-OD1 3.31Å |
| 1485 | L | 86.8 | Confident | 83.2 | Confident | 14 Ų | 14 | 35.5 Ų | 35.5 | 7% | 0.073 | 20% | 0.196 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -86.7 | 137.7 | 166.5 | -62.3 | -165.3 | 0 | 0 | 0 | 111.1 | I1401 E1403 L1455 R1457 I1460 P1461 Y1463 | I1401-L1485 HydrophobicContact CD1-CD2 4.1Å; I1401-L1485 HydrophobicContact CG1-CD2 3.69Å; I1401-L1485 CarbonylContact O-C 3.25Å; I1401-L1485 VanDerWaalsContact O-CA 3.31Å; I1401-L1485 WeakPolarHBondContact O-CA 3.3Å; E1403-L1485 HydrophobicContact CB-CD1 4.15Å; L1455-L1485 HydrophobicContact CB-CD1 3.89Å; L1455-L1485 HydrophobicContact CB-CD2 4.14Å; L1455-L1485 HydrophobicContact CD1-CD2 3.92Å; L1455-L1485 HydrophobicContact CD2-CD2 4.23Å; L1455-L1485 HydrophobicContact CG-CD2 4.33Å; R1457-L1485 HydrophobicContact CB-CB 4.12Å; R1457-L1485 HydrophobicContact CB-CD1 4.25Å; R1457-L1485 HydrophobicContact CG-CB 3.94Å; I1460-L1485 VanDerWaalsContact O-CD1 3.28Å; I1460-L1485 WeakPolarHBondContact O-CD1 3.46Å; P1461-L1485 PolarHBondContact O-N 2.83Å; Y1463-L1485 HydrophobicContact CE2-CD1 3.91Å; Y1463-L1485 HydrophobicContact CE2-CD2 4.05Å; Y1463-L1485 HydrophobicContact CE2-CG 3.86Å |
| 1486 | I | 84.5 | Confident | 84 | Confident | 83 Ų | 83 | 39.5 Ų | 39.5 | 43% | 0.426 | 21% | 0.212 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -100.5 | 120.2 | 175.7 | -56.5 | 168.3 | 0 | 0 | 0 | 108.3 | I1401 R1402 | I1401-I1486 PolarHBondContact O-N 3.48Å; R1402-I1486 HydrophobicContact CG-CB 4.11Å; R1402-I1486 HydrophobicContact CG-CG2 4.38Å |
| 1487 | D | 83.5 | Confident | 84.4 | Confident | 20 Ų | 20 | 37.9 Ų | 37.9 | 11% | 0.107 | 20% | 0.199 | C | C | . | . | P | Polyproline II helix | trans | -51.5 | 136.7 | -179.2 | -170.1 | 62.2 | 0 | 0 | 0 | 114.4 | E1403 R1457 L1523 N1526 | E1403-D1487 WeakPolarHBondContact OE1-CA 3.45Å; R1457-D1487 IonicContact CZ-OD1 2.77Å; R1457-D1487 IonicContact NE-OD1 2.66Å; R1457-D1487 PolarHBondContact NE-OD1 3.14Å; R1457-D1487 IonicContact NH2-OD1 2.92Å; R1457-D1487 PolarHBondContact NH2-OD1 3.2Å; D1487-L1523 HydrophobicContact CB-CB 4.44Å; D1487-L1523 HydrophobicContact CB-CD1 3.66Å; D1487-L1523 HydrophobicContact CB-CG 3.87Å; D1487-L1523 PolarHBondContact OD1-N 2.88Å; D1487-L1523 WeakPolarHBondContact OD2-CB 3.23Å; D1487-L1523 PolarHBondContact OD2-N 2.75Å; D1487-N1526 PolarHBondContact OD2-ND2 3.31Å |
| 1488 | V | 82.1 | Confident | 84.2 | Confident | 29 Ų | 29 | 44.5 Ų | 44.5 | 18% | 0.176 | 23% | 0.232 | C | C | . | . | trans | -134.9 | 122.5 | 177.5 | -179.8 | 0 | 0 | 0 | 0 | 109 | R1402 E1403 D1490 | R1402-V1488 HydrophobicContact CB-CG2 4.39Å; E1403-V1488 HydrophobicContact CG-CB 4.17Å; E1403-V1488 HydrophobicContact CG-CG2 4.05Å; E1403-V1488 PolarHBondContact OE1-N 2.88Å; V1488-D1490 VanDerWaalsContact O-CB 3.23Å; V1488-D1490 WeakPolarHBondContact O-CB 3.23Å; V1488-D1490 PolarHBondContact O-N 2.9Å | ||
| 1489 | N | 81.9 | Confident | 83.7 | Confident | 11 Ų | 11 | 47.3 Ų | 47.3 | 6% | 0.059 | 24% | 0.241 | C | C | . | . | S | Bend | trans | -61.5 | 103.1 | -177.3 | -155.6 | 62.9 | 0 | 0 | 0 | 111.8 | D1522 N1526 D1585 P1589 M1591 | N1489-D1522 VanDerWaalsContact CA-OD2 3.26Å; N1489-D1522 WeakPolarHBondContact CA-OD2 3.45Å; N1489-D1522 PolarHBondContact OD1-OD2 2.7Å; N1489-N1526 HydrophobicContact CB-CB 4.25Å; N1489-N1526 WeakPolarHBondContact OD1-CB 3.29Å; N1489-N1526 PolarHBondContact OD1-O 2.93Å; N1489-D1585 PolarHBondContact ND2-OD1 3.09Å; N1489-P1589 PolarHBondContact ND2-O 2.88Å; N1489-M1591 WeakPolarHBondContact ND2-CG 3.48Å; N1489-M1591 PolarHBondContact ND2-N 2.81Å |
| 1490 | D | 79.9 | Confident | 82.9 | Confident | 107 Ų | 107 | 49.9 Ų | 49.9 | 57% | 0.572 | 26% | 0.259 | S | S | * | . | trans | -144.3 | -26.1 | -163.4 | 165.8 | -71.6 | 0 | 0 | 0 | 111.7 | V1488 D1522 M1591 | V1488-D1490 VanDerWaalsContact O-CB 3.23Å; V1488-D1490 WeakPolarHBondContact O-CB 3.23Å; V1488-D1490 PolarHBondContact O-N 2.9Å; D1490-D1522 PolarHBondContact N-OD2 3.47Å; D1490-M1591 WeakPolarHBondContact O-CE 3.35Å | ||
| 1491 | N | 81.3 | Confident | 82.9 | Confident | 42 Ų | 42 | 47.6 Ų | 47.6 | 23% | 0.225 | 25% | 0.245 | C | C | . | . | trans | -81.2 | 175.1 | 164.1 | -68.5 | -86.2 | 0 | 0 | 0 | 111.5 | E1458 R1521 D1522 M1591 | E1458-N1491 PolarHBondContact OE2-ND2 2.57Å; N1491-R1521 HydrophobicContact CB-CB 4.32Å; N1491-D1522 WeakPolarHBondContact CB-OD1 3.47Å; N1491-D1522 PolarHBondContact N-OD1 3.41Å; N1491-D1522 PolarHBondContact N-OD2 3.44Å; N1491-D1522 VanDerWaalsContact N-OD2 3.11Å; N1491-D1522 PolarHBondContact ND2-OD1 3Å; N1491-M1591 WeakPolarHBondContact O-CB 3.47Å; N1491-M1591 WeakPolarHBondContact O-CE 3.25Å; N1491-M1591 WeakPolarHBondContact O-CG 3.2Å | ||
| 1492 | A | 79.1 | Confident | 82.6 | Confident | 17 Ų | 17 | 51.3 Ų | 51.3 | 14% | 0.14 | 26% | 0.264 | C | S | . | . | trans | -143.5 | 144 | 175.3 | 0 | 0 | 0 | 0 | 0 | 109.4 | M1591 A1593 R1595 | A1492-M1591 HydrophobicContact CB-CB 4.04Å; A1492-M1591 HydrophobicContact CB-CE 4.22Å; A1492-A1593 HydrophobicContact CB-CB 4.19Å; A1492-R1595 PolarHBondContact O-NH2 3.3Å | ||
| 1493 | P | 88.1 | Confident | 82.4 | Confident | 0 Ų | 0 | 50.9 Ų | 50.9 | 0% | 0 | 26% | 0.262 | C | S | . | . | trans | -63.5 | 146 | -163.6 | 12.2 | -23.1 | 0 | 0 | 0 | 114.5 | A1518 I1519 D1520 F1530 V1583 D1585 R1595 | P1493-A1518 HydrophobicContact CB-CB 4.4Å; P1493-I1519 CarbonylContact C-O 3.6Å; P1493-I1519 VanDerWaalsContact CA-O 3.27Å; P1493-I1519 WeakPolarHBondContact CA-O 3.18Å; P1493-I1519 WeakPolarHBondContact CB-O 3.49Å; P1493-D1520 WeakPolarHBondContact CA-OD2 3.21Å; P1493-D1520 WeakPolarHBondContact CB-OD2 3.28Å; P1493-D1520 WeakPolarHBondContact CD-OD2 3.25Å; P1493-D1520 WeakPolarHBondContact CG-OD2 3.46Å; P1493-F1530 HydrophobicContact CB-CD1 3.87Å; P1493-F1530 HydrophobicContact CB-CE1 3.83Å; P1493-F1530 HydrophobicContact CG-CD1 4.05Å; P1493-F1530 HydrophobicContact CG-CE1 4.28Å; P1493-V1583 HydrophobicContact CB-CG1 4.46Å; P1493-V1583 HydrophobicContact CB-CG2 4Å; P1493-V1583 HydrophobicContact CG-CG1 4.26Å; P1493-V1583 HydrophobicContact CG-CG2 3.87Å; P1493-V1583 WeakPolarHBondContact O-CG1 3.49Å; P1493-D1585 WeakPolarHBondContact CD-OD2 3.21Å; P1493-D1585 HydrophobicContact CG-CB 4.09Å; P1493-R1595 PolarHBondContact O-NE 2.91Å; P1493-R1595 PolarHBondContact O-NH2 2.83Å | ||
| 1494 | E | 84.1 | Confident | 82.1 | Confident | 73 Ų | 73 | 54 Ų | 54 | 34% | 0.341 | 28% | 0.277 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.5 | 154 | 177.2 | -55.7 | -162.8 | 109.1 | 0 | 0 | 110.7 | A1518 I1519 R1521 | E1494-A1518 CarbonylContact O-C 3.53Å; E1494-A1518 WeakPolarHBondContact O-CA 3.46Å; E1494-A1518 WeakPolarHBondContact O-CB 3.46Å; E1494-I1519 HydrophobicContact CB-CG1 4.21Å; E1494-I1519 PolarHBondContact N-O 3.06Å; E1494-I1519 PolarHBondContact O-N 2.92Å; E1494-R1521 IonicContact OE1-NH2 3.7Å; E1494-R1521 IonicContact OE2-CZ 3.68Å; E1494-R1521 IonicContact OE2-NE 3.25Å; E1494-R1521 PolarHBondContact OE2-NE 3.27Å; E1494-R1521 IonicContact OE2-NH2 2.74Å; E1494-R1521 PolarHBondContact OE2-NH2 2.6Å |
| 1495 | L | 88.4 | Confident | 81.9 | Confident | 29 Ų | 29 | 52.5 Ų | 52.5 | 15% | 0.152 | 27% | 0.269 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.3 | 131.3 | -177.5 | -62 | 175.9 | 0 | 0 | 0 | 111.7 | Y1497 V1516 M1532 I1581 V1583 R1595 | L1495-Y1497 HydrophobicContact CB-CD1 3.97Å; L1495-Y1497 HydrophobicContact CB-CE1 3.93Å; L1495-Y1497 HydrophobicContact CD1-CE1 4.43Å; L1495-V1516 HydrophobicContact CB-CG1 4Å; L1495-V1516 HydrophobicContact CD1-CG1 4.38Å; L1495-V1516 HydrophobicContact CD2-CG1 3.97Å; L1495-V1516 HydrophobicContact CG-CG1 4.33Å; L1495-M1532 HydrophobicContact CD2-SD 4.05Å; L1495-I1581 HydrophobicContact CD1-CB 4.13Å; L1495-I1581 HydrophobicContact CD1-CD1 4.02Å; L1495-I1581 HydrophobicContact CD1-CG2 4.44Å; L1495-I1581 HydrophobicContact CD2-CG2 4.15Å; L1495-V1583 HydrophobicContact CD2-CB 4.38Å; L1495-V1583 HydrophobicContact CD2-CG1 4.48Å; L1495-R1595 HydrophobicContact CD1-CB 3.5Å; L1495-R1595 HydrophobicContact CD2-CB 4.43Å; L1495-R1595 HydrophobicContact CG-CB 3.57Å; L1495-R1595 HydrophobicContact CG-CG 4.18Å |
| 1496 | K | 86 | Confident | 81.4 | Confident | 126 Ų | 126 | 55.2 Ų | 55.2 | 55% | 0.548 | 28% | 0.283 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.5 | 116.5 | 176.1 | -173.3 | 174 | -179.8 | 178.2 | 0 | 110.2 | T1517 I1519 | K1496-T1517 PolarHBondContact N-O 3.43Å; K1496-T1517 PolarHBondContact O-N 2.83Å; K1496-I1519 HydrophobicContact CB-CG2 4.47Å; K1496-I1519 HydrophobicContact CD-CG2 3.98Å |
| 1497 | Y | 86 | Confident | 81.1 | Confident | 27 Ų | 27 | 52.9 Ų | 52.9 | 11% | 0.106 | 27% | 0.27 | C | S | . | . | trans | -161.6 | 154.9 | 177.1 | 61.1 | -85.3 | 0 | 0 | 0 | 111.2 | L1495 K1499 V1501 V1516 F1596 L1597 E1598 | L1495-Y1497 HydrophobicContact CB-CD1 3.97Å; L1495-Y1497 HydrophobicContact CB-CE1 3.93Å; L1495-Y1497 HydrophobicContact CD1-CE1 4.43Å; Y1497-K1499 HydrophobicContact CD2-CG 3.9Å; Y1497-K1499 HydrophobicContact CE2-CD 4.24Å; Y1497-K1499 HydrophobicContact CE2-CG 3.44Å; Y1497-K1499 VanDerWaalsContact CE2-CG 3.44Å; Y1497-K1499 VanDerWaalsContact CZ-CE 3.45Å; Y1497-K1499 PolarHBondContact O-N 2.82Å; Y1497-K1499 VanDerWaalsContact OH-CE 3.23Å; Y1497-K1499 WeakPolarHBondContact OH-CE 3.43Å; Y1497-V1501 HydrophobicContact CD2-CG2 3.74Å; Y1497-V1501 HydrophobicContact CE2-CG2 4.03Å; Y1497-V1516 HydrophobicContact CD1-CG1 3.93Å; Y1497-V1516 HydrophobicContact CG-CG1 4.46Å; Y1497-V1516 HydrophobicContact CG-CG2 4.36Å; Y1497-F1596 PolarHBondContact OH-O 3.05Å; Y1497-L1597 HydrophobicContact CD1-CD1 4.17Å; Y1497-L1597 HydrophobicContact CD2-CD1 3.66Å; Y1497-L1597 HydrophobicContact CE1-CD1 4.04Å; Y1497-L1597 HydrophobicContact CE2-CD1 3.53Å; Y1497-L1597 HydrophobicContact CG-CD1 3.98Å; Y1497-L1597 WeakPolarHBondContact OH-CA 3.38Å; Y1497-E1598 PolarHBondContact OH-N 3.47Å | ||
| 1498 | N | 76.9 | Confident | 80.6 | Confident | 150 Ų | 150 | 56.6 Ų | 56.6 | 80% | 0.802 | 30% | 0.296 | S | S | * | . | trans | -68.2 | 124.2 | 177 | -63.3 | 28.1 | 0 | 0 | 0 | 110 | V1501 | N1498-V1501 WeakPolarHBondContact O-CG2 3.38Š| ||
| 1499 | K | 72.3 | Confident | 80.1 | Confident | 135 Ų | 135 | 58.5 Ų | 58.5 | 59% | 0.587 | 31% | 0.309 | S | S | * | . | S | Bend | trans | -108 | 150.1 | 178.1 | -75 | -176.3 | 173.4 | -165.3 | 0 | 111.5 | Y1497 E1598 | Y1497-K1499 HydrophobicContact CD2-CG 3.9Å; Y1497-K1499 HydrophobicContact CE2-CD 4.24Å; Y1497-K1499 HydrophobicContact CE2-CG 3.44Å; Y1497-K1499 VanDerWaalsContact CE2-CG 3.44Å; Y1497-K1499 VanDerWaalsContact CZ-CE 3.45Å; Y1497-K1499 PolarHBondContact O-N 2.82Å; Y1497-K1499 VanDerWaalsContact OH-CE 3.23Å; Y1497-K1499 WeakPolarHBondContact OH-CE 3.43Å; K1499-E1598 IonicContact NZ-OE2 3.78Å |
| 1500 | P | 67.2 | Low | 79.5 | Confident | 76 Ų | 76 | 61.8 Ų | 61.8 | 49% | 0.494 | 34% | 0.338 | S | S | . | . | S | Bend | cis | -75.6 | 147.4 | -14.7 | 30.1 | -32.9 | 0 | 0 | 0 | 111.7 | I1502 V1600 | P1500-I1502 HydrophobicContact CB-CG1 4.3Å; P1500-I1502 HydrophobicContact CG-CD1 4.08Å; P1500-I1502 HydrophobicContact CG-CG1 3.94Å; P1500-I1502 PolarHBondContact O-N 2.72Å; P1500-V1600 HydrophobicContact CB-CG2 3.76Å |
| 1501 | V | 85 | Confident | 79.4 | Confident | 8 Ų | 8 | 63.7 Ų | 63.7 | 5% | 0.048 | 34% | 0.337 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -80.6 | 90.2 | 172.2 | -176.7 | 0 | 0 | 0 | 0 | 108.5 | Y1497 N1498 L1513 A1514 L1597 E1598 V1599 V1600 | Y1497-V1501 HydrophobicContact CD2-CG2 3.74Å; Y1497-V1501 HydrophobicContact CE2-CG2 4.03Å; N1498-V1501 WeakPolarHBondContact O-CG2 3.38Å; V1501-L1513 HydrophobicContact CG1-CB 3.83Å; V1501-A1514 HydrophobicContact CG1-CB 4.16Å; V1501-A1514 HydrophobicContact CG2-CB 4.05Å; V1501-L1597 HydrophobicContact CG2-CD1 4.09Å; V1501-E1598 WeakPolarHBondContact CB-O 3.32Å; V1501-E1598 PolarHBondContact N-O 2.68Å; V1501-V1599 HydrophobicContact CB-CG2 4.39Å; V1501-V1599 HydrophobicContact CG1-CG2 4.35Å; V1501-V1599 CarbonylContact O-C 3.6Å; V1501-V1599 VanDerWaalsContact O-CA 3.29Å; V1501-V1599 WeakPolarHBondContact O-CA 3.44Å; V1501-V1599 WeakPolarHBondContact O-CG1 3.44Å; V1501-V1600 PolarHBondContact O-N 2.78Å |
| 1502 | I | 81.9 | Confident | 79.4 | Confident | 79 Ų | 79 | 65.5 Ų | 65.5 | 41% | 0.405 | 35% | 0.346 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -80.6 | 129.9 | -179.6 | -57.1 | 172.1 | 0 | 0 | 0 | 110.2 | P1500 M1504 V1600 | P1500-I1502 HydrophobicContact CB-CG1 4.3Å; P1500-I1502 HydrophobicContact CG-CD1 4.08Å; P1500-I1502 HydrophobicContact CG-CG1 3.94Å; P1500-I1502 PolarHBondContact O-N 2.72Å; I1502-M1504 HydrophobicContact CG2-SD 4Å; I1502-V1600 WeakPolarHBondContact CA-O 3.4Å; I1502-V1600 HydrophobicContact CG1-CB 4.39Å |
| 1503 | V | 82.6 | Confident | 79.6 | Confident | 5 Ų | 5 | 66.2 Ų | 66.2 | 3% | 0.03 | 35% | 0.347 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112 | 131.2 | 156.4 | 66.5 | 0 | 0 | 0 | 0 | 107.1 | E1507 L1513 F1567 V1599 V1600 V1601 G1602 | V1503-E1507 HydrophobicContact CG2-CB 4.46Å; V1503-L1513 HydrophobicContact CB-CD2 4.11Å; V1503-L1513 HydrophobicContact CG2-CD2 4.12Å; V1503-F1567 HydrophobicContact CB-CD2 4.46Å; V1503-F1567 HydrophobicContact CG1-CD2 3.63Å; V1503-F1567 HydrophobicContact CG1-CE2 4.1Å; V1503-F1567 HydrophobicContact CG1-CG 4.18Å; V1503-F1567 HydrophobicContact CG2-CD2 4.02Å; V1503-V1599 HydrophobicContact CG1-CG1 3.97Å; V1503-V1600 PolarHBondContact N-O 3.19Å; V1503-V1601 HydrophobicContact CG1-CG2 4.26Å; V1503-V1601 CarbonylContact O-C 3.55Å; V1503-V1601 WeakPolarHBondContact O-CA 3.24Å; V1503-G1602 PolarHBondContact O-N 2.83Å |
| 1504 | M | 80.5 | Confident | 79.6 | Confident | 64 Ų | 64 | 66.9 Ų | 66.9 | 32% | 0.315 | 35% | 0.353 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -73.8 | 143.7 | 178.5 | -68.9 | -58.3 | -58.1 | 0 | 0 | 109.8 | I1502 E1507 D1603 | I1502-M1504 HydrophobicContact CG2-SD 4Å; M1504-E1507 HydrophobicContact CB-CB 4.23Å; M1504-E1507 PolarHBondContact N-OE2 3.39Å; M1504-E1507 WeakPolarHBondContact O-CB 3.36Å; M1504-E1507 PolarHBondContact O-N 3.31Å; M1504-D1603 WeakPolarHBondContact CE-O 3.15Å |
| 1505 | E | 81.6 | Confident | 79.8 | Confident | 8 Ų | 8 | 66.8 Ų | 66.8 | 4% | 0.037 | 36% | 0.357 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -56.9 | 150.8 | 165.8 | 78.6 | 72.7 | -135.6 | 0 | 0 | 109.1 | E1507 R1569 V1601 G1602 K1604 | E1505-E1507 PolarHBondContact O-N 2.77Å; E1505-E1507 VanDerWaalsContact O-N 3.07Å; E1505-R1569 HydrophobicContact CB-CB 4.08Å; E1505-V1601 HydrophobicContact CB-CG1 3.99Å; E1505-G1602 WeakPolarHBondContact CB-O 3.48Å; E1505-G1602 WeakPolarHBondContact CG-O 3.28Å; E1505-G1602 PolarHBondContact N-O 2.94Å; E1505-K1604 HydrophobicContact CG-CG 4.49Å; E1505-K1604 PolarHBondContact O-NZ 2.81Å; E1505-K1604 WeakPolarHBondContact OE1-CB 3.44Å; E1505-K1604 VanDerWaalsContact OE1-CD 3.31Å; E1505-K1604 WeakPolarHBondContact OE1-CD 3.19Å; E1505-K1604 WeakPolarHBondContact OE1-CE 3.41Å; E1505-K1604 WeakPolarHBondContact OE1-CG 3.48Å; E1505-K1604 IonicContact OE1-NZ 3.84Å; E1505-K1604 PolarHBondContact OE1-NZ 2.86Å |
| 1506 | N | 76.5 | Confident | 79.9 | Confident | 71 Ų | 71 | 65.4 Ų | 65.4 | 38% | 0.38 | 35% | 0.35 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 60.6 | 5.3 | -172.2 | -94 | -90.6 | 0 | 0 | 0 | 117.3 | K1566 F1567 D1568 | N1506-K1566 WeakPolarHBondContact O-CE 3.42Å; N1506-K1566 WeakPolarHBondContact OD1-CE 3.5Å; N1506-K1566 PolarHBondContact OD1-NZ 2.85Å; N1506-F1567 PolarHBondContact N-O 3.36Å; N1506-D1568 PolarHBondContact ND2-OD1 3.29Å |
| 1507 | E | 77.9 | Confident | 80.1 | Confident | 33 Ų | 33 | 60.4 Ų | 60.4 | 15% | 0.154 | 33% | 0.33 | C | S | . | . | P | Polyproline II helix | trans | -73.8 | 142.7 | -177.7 | -163.8 | 178.3 | 168.2 | 0 | 0 | 114.5 | V1503 M1504 E1505 R1511 K1566 | V1503-E1507 HydrophobicContact CG2-CB 4.46Å; M1504-E1507 HydrophobicContact CB-CB 4.23Å; M1504-E1507 PolarHBondContact N-OE2 3.39Å; M1504-E1507 WeakPolarHBondContact O-CB 3.36Å; M1504-E1507 PolarHBondContact O-N 3.31Å; E1505-E1507 PolarHBondContact O-N 2.77Å; E1505-E1507 VanDerWaalsContact O-N 3.07Å; E1507-R1511 WeakPolarHBondContact OE1-CD 3.1Å; E1507-R1511 IonicContact OE1-CZ 2.85Å; E1507-R1511 IonicContact OE1-NE 2.66Å; E1507-R1511 IonicContact OE1-NH1 3.84Å; E1507-R1511 PolarHBondContact OE1-NH1 3.12Å; E1507-R1511 IonicContact OE2-NH1 2.83Å; E1507-K1566 WeakPolarHBondContact O-CG 3.35Å |
| 1508 | P | 72.2 | Confident | 80.2 | Confident | 99 Ų | 99 | 59.3 Ų | 59.3 | 64% | 0.643 | 33% | 0.326 | S | S | * | . | P | Polyproline II helix | trans | -71 | 144.9 | -179.5 | 26.9 | -36.6 | 0 | 0 | 0 | 115 | ||
| 1509 | P | 71.6 | Confident | 80.6 | Confident | 69 Ų | 69 | 55.9 Ų | 55.9 | 45% | 0.448 | 31% | 0.307 | S | S | . | . | S | Bend | trans | -74.1 | 170.6 | -176.7 | 30.1 | -36.4 | 0 | 0 | 0 | 114.9 | T1564 | P1509-T1564 WeakPolarHBondContact CB-O 3.47Š|
| 1510 | A | 71.1 | Confident | 81.3 | Confident | 80 Ų | 80 | 51 Ų | 51 | 66% | 0.661 | 29% | 0.287 | S | S | * | . | S | Bend | trans | 75.6 | 10 | -178.5 | 0 | 0 | 0 | 0 | 0 | 116.8 | A1563 | A1510-A1563 WeakPolarHBondContact CA-O 3.44Å; A1510-A1563 PolarHBondContact N-O 2.99Å |
| 1511 | R | 77.9 | Confident | 82.1 | Confident | 147 Ų | 147 | 54.4 Ų | 54.4 | 56% | 0.555 | 29% | 0.29 | S | S | * | . | trans | -70.7 | 142.1 | 168.6 | -176.6 | 179.3 | 172.2 | 177.1 | -2.8 | 111.4 | E1507 L1513 K1562 A1563 | E1507-R1511 WeakPolarHBondContact OE1-CD 3.1Å; E1507-R1511 IonicContact OE1-CZ 2.85Å; E1507-R1511 IonicContact OE1-NE 2.66Å; E1507-R1511 IonicContact OE1-NH1 3.84Å; E1507-R1511 PolarHBondContact OE1-NH1 3.12Å; E1507-R1511 IonicContact OE2-NH1 2.83Å; R1511-L1513 PolarHBondContact O-N 3.19Å; R1511-K1562 VanDerWaalsContact O-CA 3.28Å; R1511-K1562 WeakPolarHBondContact O-CA 3.16Å; R1511-A1563 PolarHBondContact O-N 3.3Å | ||
| 1512 | L | 80.9 | Confident | 82.2 | Confident | 79 Ų | 79 | 54.4 Ų | 54.4 | 41% | 0.414 | 29% | 0.29 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -71 | 121.1 | 165.6 | 178.4 | 71.2 | 0 | 0 | 0 | 108.8 | E1560 K1562 | L1512-E1560 HydrophobicContact CD1-CB 4.28Å; L1512-E1560 HydrophobicContact CD1-CG 4.28Å; L1512-K1562 HydrophobicContact CB-CG 4.15Å; L1512-K1562 HydrophobicContact CD1-CD 4.44Å; L1512-K1562 HydrophobicContact CD1-CG 4.1Å |
| 1513 | L | 83.1 | Confident | 82.3 | Confident | 33 Ų | 33 | 54.1 Ų | 54.1 | 17% | 0.173 | 29% | 0.289 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.5 | -48.8 | 179.2 | -63 | -178 | 0 | 0 | 0 | 111.5 | V1501 V1503 R1511 F1544 V1561 A1563 V1599 | V1501-L1513 HydrophobicContact CG1-CB 3.83Å; V1503-L1513 HydrophobicContact CB-CD2 4.11Å; V1503-L1513 HydrophobicContact CG2-CD2 4.12Å; R1511-L1513 PolarHBondContact O-N 3.19Å; L1513-F1544 HydrophobicContact CD1-CD1 3.85Å; L1513-F1544 HydrophobicContact CD1-CE1 3.61Å; L1513-V1561 PolarHBondContact N-O 2.82Å; L1513-A1563 HydrophobicContact CD1-CB 4.06Å; L1513-A1563 HydrophobicContact CD2-CB 4.4Å; L1513-A1563 HydrophobicContact CG-CB 4.29Å; L1513-V1599 HydrophobicContact CD1-CG1 4.4Å |
| 1514 | A | 88.2 | Confident | 82.1 | Confident | 14 Ų | 14 | 58.8 Ų | 58.8 | 12% | 0.116 | 32% | 0.32 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -155.4 | 158.1 | -175.2 | 0 | 0 | 0 | 0 | 0 | 111.8 | V1501 V1561 | V1501-A1514 HydrophobicContact CG1-CB 4.16Å; V1501-A1514 HydrophobicContact CG2-CB 4.05Å; A1514-V1561 PolarHBondContact N-O 2.79Å; A1514-V1561 PolarHBondContact O-N 3.48Å |
| 1515 | T | 88.4 | Confident | 82.1 | Confident | 70 Ų | 70 | 63.7 Ų | 63.7 | 43% | 0.429 | 34% | 0.342 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.4 | 133.1 | 154.8 | 28.4 | 0 | 0 | 0 | 0 | 108.3 | L1552 L1559 E1560 | T1515-L1552 HydrophobicContact CG2-CD1 4.19Å; T1515-L1552 HydrophobicContact CG2-CD2 4.41Å; T1515-L1559 CarbonylContact C-O 3.54Å; T1515-L1559 WeakPolarHBondContact CA-O 3.37Å; T1515-E1560 HydrophobicContact CG2-CG 4.11Å |
| 1516 | V | 90.2 | Very high | 82.2 | Confident | 0 Ų | 0 | 64.2 Ų | 64.2 | 0% | 0 | 35% | 0.345 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.3 | 127.2 | -177.6 | -174.6 | 0 | 0 | 0 | 0 | 108.2 | L1495 Y1497 G1558 L1559 V1561 L1597 | L1495-V1516 HydrophobicContact CB-CG1 4Å; L1495-V1516 HydrophobicContact CD1-CG1 4.38Å; L1495-V1516 HydrophobicContact CD2-CG1 3.97Å; L1495-V1516 HydrophobicContact CG-CG1 4.33Å; Y1497-V1516 HydrophobicContact CD1-CG1 3.93Å; Y1497-V1516 HydrophobicContact CG-CG1 4.46Å; Y1497-V1516 HydrophobicContact CG-CG2 4.36Å; V1516-G1558 CarbonylContact O-C 3.55Å; V1516-G1558 VanDerWaalsContact O-CA 3.32Å; V1516-G1558 WeakPolarHBondContact O-CA 3.24Å; V1516-L1559 HydrophobicContact CB-CB 4.27Å; V1516-L1559 PolarHBondContact N-O 3.1Å; V1516-L1559 PolarHBondContact O-N 3.5Å; V1516-V1561 HydrophobicContact CG2-CG2 3.95Å; V1516-L1597 HydrophobicContact CG2-CD1 3.86Å |
| 1517 | T | 91.1 | Very high | 82.6 | Confident | 22 Ų | 22 | 60.8 Ų | 60.8 | 14% | 0.135 | 33% | 0.327 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115 | -173 | 171 | 79.5 | 0 | 0 | 0 | 0 | 109.6 | K1496 D1553 | K1496-T1517 PolarHBondContact N-O 3.43Å; K1496-T1517 PolarHBondContact O-N 2.83Å; T1517-D1553 WeakPolarHBondContact CB-OD2 3.01Å; T1517-D1553 HydrophobicContact CG2-CB 3.77Å; T1517-D1553 WeakPolarHBondContact CG2-OD2 3.43Å; T1517-D1553 PolarHBondContact OG1-OD2 3.36Å |
| 1518 | A | 87.5 | Confident | 82.9 | Confident | 3 Ų | 3 | 60.6 Ų | 60.6 | 3% | 0.025 | 33% | 0.328 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -135 | 157.3 | 178.3 | 0 | 0 | 0 | 0 | 0 | 111.6 | P1493 E1494 F1530 M1532 V1583 | P1493-A1518 HydrophobicContact CB-CB 4.4Å; E1494-A1518 CarbonylContact O-C 3.53Å; E1494-A1518 WeakPolarHBondContact O-CA 3.46Å; E1494-A1518 WeakPolarHBondContact O-CB 3.46Å; A1518-F1530 HydrophobicContact CB-CB 4.13Å; A1518-F1530 HydrophobicContact CB-CD1 4.36Å; A1518-F1530 HydrophobicContact CB-CD2 3.81Å; A1518-F1530 HydrophobicContact CB-CE2 4.33Å; A1518-F1530 HydrophobicContact CB-CG 3.83Å; A1518-F1530 WeakPolarHBondContact O-CE2 3.47Å; A1518-M1532 HydrophobicContact CB-CE 3.54Å; A1518-M1532 HydrophobicContact CB-SD 3.97Å; A1518-V1583 HydrophobicContact CB-CG2 3.95Å |
| 1519 | I | 85.4 | Confident | 83.5 | Confident | 78 Ų | 78 | 58.6 Ų | 58.6 | 40% | 0.4 | 32% | 0.315 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.4 | 152.9 | 175.5 | 56 | 176 | 0 | 0 | 0 | 108.9 | P1493 E1494 K1496 | P1493-I1519 CarbonylContact C-O 3.6Å; P1493-I1519 VanDerWaalsContact CA-O 3.27Å; P1493-I1519 WeakPolarHBondContact CA-O 3.18Å; P1493-I1519 WeakPolarHBondContact CB-O 3.49Å; E1494-I1519 HydrophobicContact CB-CG1 4.21Å; E1494-I1519 PolarHBondContact N-O 3.06Å; E1494-I1519 PolarHBondContact O-N 2.92Å; K1496-I1519 HydrophobicContact CB-CG2 4.47Å; K1496-I1519 HydrophobicContact CD-CG2 3.98Å |
| 1520 | D | 85.7 | Confident | 84.4 | Confident | 32 Ų | 32 | 55.8 Ų | 55.8 | 17% | 0.171 | 30% | 0.296 | C | S | . | . | trans | -123.7 | 170.3 | 169.4 | -124.4 | -49 | 0 | 0 | 0 | 111.1 | P1493 F1530 | P1493-D1520 WeakPolarHBondContact CA-OD2 3.21Å; P1493-D1520 WeakPolarHBondContact CB-OD2 3.28Å; P1493-D1520 WeakPolarHBondContact CD-OD2 3.25Å; P1493-D1520 WeakPolarHBondContact CG-OD2 3.46Å; D1520-F1530 HydrophobicContact CB-CE1 3.92Å; D1520-F1530 HydrophobicContact CB-CZ 3.97Å | ||
| 1521 | R | 84.6 | Confident | 85.2 | Confident | 148 Ų | 148 | 55.9 Ų | 55.9 | 56% | 0.558 | 28% | 0.28 | S | S | * | . | S | Bend | trans | -106.1 | -31.1 | 177.7 | -54.6 | -173.2 | -177.6 | -152.3 | 0.5 | 112.5 | R1457 E1458 N1491 E1494 | R1457-R1521 PolarHBondContact NH2-O 2.86Å; E1458-R1521 HydrophobicContact CG-CB 3.55Å; N1491-R1521 HydrophobicContact CB-CB 4.32Å; E1494-R1521 IonicContact OE1-NH2 3.7Å; E1494-R1521 IonicContact OE2-CZ 3.68Å; E1494-R1521 IonicContact OE2-NE 3.25Å; E1494-R1521 PolarHBondContact OE2-NE 3.27Å; E1494-R1521 IonicContact OE2-NH2 2.74Å; E1494-R1521 PolarHBondContact OE2-NH2 2.6Å |
| 1522 | D | 86.8 | Confident | 85.9 | Confident | 9 Ų | 9 | 48.9 Ų | 48.9 | 5% | 0.048 | 25% | 0.253 | C | S | . | . | S | Bend | trans | -62.2 | 165.3 | 171.8 | -57.9 | -3.2 | 0 | 0 | 0 | 110.8 | N1489 D1490 N1491 N1526 | N1489-D1522 VanDerWaalsContact CA-OD2 3.26Å; N1489-D1522 WeakPolarHBondContact CA-OD2 3.45Å; N1489-D1522 PolarHBondContact OD1-OD2 2.7Å; D1490-D1522 PolarHBondContact N-OD2 3.47Å; N1491-D1522 WeakPolarHBondContact CB-OD1 3.47Å; N1491-D1522 PolarHBondContact N-OD1 3.41Å; N1491-D1522 PolarHBondContact N-OD2 3.44Å; N1491-D1522 VanDerWaalsContact N-OD2 3.11Å; N1491-D1522 PolarHBondContact ND2-OD1 3Å; D1522-N1526 HydrophobicContact CB-CB 3.9Å |
| 1523 | L | 83.9 | Confident | 86.1 | Confident | 73 Ų | 73 | 48.9 Ų | 48.9 | 38% | 0.382 | 25% | 0.251 | S | S | . | . | trans | -62.2 | 160.7 | -175 | -71.4 | -179.6 | 0 | 0 | 0 | 112.2 | R1457 D1487 E1525 N1526 G1527 | R1457-L1523 VanDerWaalsContact NH2-N 3.15Å; D1487-L1523 HydrophobicContact CB-CB 4.44Å; D1487-L1523 HydrophobicContact CB-CD1 3.66Å; D1487-L1523 HydrophobicContact CB-CG 3.87Å; D1487-L1523 PolarHBondContact OD1-N 2.88Å; D1487-L1523 WeakPolarHBondContact OD2-CB 3.23Å; D1487-L1523 PolarHBondContact OD2-N 2.75Å; L1523-E1525 PolarHBondContact O-N 2.99Å; L1523-N1526 WeakPolarHBondContact O-CA 3.34Å; L1523-N1526 PolarHBondContact O-N 2.9Å; L1523-G1527 PolarHBondContact O-N 3.01Å | ||
| 1524 | P | 79.5 | Confident | 86 | Confident | 103 Ų | 103 | 48.5 Ų | 48.5 | 67% | 0.669 | 25% | 0.248 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -56.8 | -14 | 175.7 | -28.1 | 36.5 | 0 | 0 | 0 | 116.1 | ||
| 1525 | E | 79.4 | Confident | 85.5 | Confident | 167 Ų | 167 | 48 Ų | 48 | 78% | 0.78 | 25% | 0.245 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -76.5 | -25.1 | 171.7 | -61 | -169.1 | -160.8 | 0 | 0 | 113.1 | L1523 | L1523-E1525 PolarHBondContact O-N 2.99Š|
| 1526 | N | 85.4 | Confident | 84.6 | Confident | 18 Ų | 18 | 49.2 Ų | 49.2 | 10% | 0.096 | 26% | 0.255 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -105.7 | -38.3 | -173.9 | -94.5 | -28.2 | 0 | 0 | 0 | 112.2 | D1487 N1489 D1522 L1523 D1585 N1586 G1587 T1588 | D1487-N1526 PolarHBondContact OD2-ND2 3.31Å; N1489-N1526 HydrophobicContact CB-CB 4.25Å; N1489-N1526 WeakPolarHBondContact OD1-CB 3.29Å; N1489-N1526 PolarHBondContact OD1-O 2.93Å; D1522-N1526 HydrophobicContact CB-CB 3.9Å; L1523-N1526 WeakPolarHBondContact O-CA 3.34Å; L1523-N1526 PolarHBondContact O-N 2.9Å; N1526-D1585 WeakPolarHBondContact O-CB 3.35Å; N1526-N1586 CarbonylContact O-C 3.55Å; N1526-N1586 PolarHBondContact O-N 2.96Å; N1526-G1587 WeakPolarHBondContact O-CA 3Å; N1526-G1587 PolarHBondContact O-N 3.4Å; N1526-G1587 WeakPolarHBondContact OD1-CA 3.2Å; N1526-T1588 PolarHBondContact OD1-N 2.81Å |
| 1527 | G | 84.2 | Confident | 83.4 | Confident | 0 Ų | 0 | 55 Ų | 55 | 0% | 0 | 29% | 0.286 | C | S | . | . | S | Bend | trans | -73.1 | -97 | 174.9 | 0 | 0 | 0 | 0 | 0 | 115.3 | L1523 D1585 N1586 | L1523-G1527 PolarHBondContact O-N 3.01Å; G1527-D1585 CarbonylContact O-C 3.52Å; G1527-D1585 VanDerWaalsContact O-CA 3.32Å; G1527-D1585 WeakPolarHBondContact O-CA 3.4Å; G1527-D1585 WeakPolarHBondContact O-CB 3.42Å; G1527-N1586 PolarHBondContact O-N 3.16Å |
| 1528 | P | 85 | Confident | 82.4 | Confident | 28 Ų | 28 | 54.4 Ų | 54.4 | 18% | 0.182 | 28% | 0.283 | C | S | . | . | P | Polyproline II helix | trans | -71.1 | 161.3 | -170.4 | 28.2 | -35.5 | 0 | 0 | 0 | 114.6 | F1530 H1556 | P1528-F1530 HydrophobicContact CB-CD2 4.24Å; P1528-F1530 HydrophobicContact CB-CE1 4.49Å; P1528-F1530 HydrophobicContact CB-CE2 3.83Å; P1528-F1530 HydrophobicContact CB-CZ 3.96Å; P1528-F1530 HydrophobicContact CG-CZ 4.39Å; P1528-H1556 HydrophobicContact CB-CB 4.27Å; P1528-H1556 WeakPolarHBondContact CB-ND1 3.47Å |
| 1529 | P | 83.4 | Confident | 81.5 | Confident | 57 Ų | 57 | 59.8 Ų | 59.8 | 37% | 0.37 | 32% | 0.316 | S | S | . | . | S | Bend | cis | -79.8 | 136.7 | 0.2 | 31.8 | -34.9 | 0 | 0 | 0 | 112.7 | ||
| 1530 | F | 91.5 | Very high | 81.2 | Confident | 10 Ų | 10 | 58.5 Ų | 58.5 | 4% | 0.044 | 31% | 0.306 | C | S | . | . | P | Polyproline II helix | trans | -79.5 | 152.1 | -176.9 | -54 | -65.5 | 0 | 0 | 0 | 112 | P1493 A1518 D1520 P1528 M1532 F1548 H1556 R1584 | P1493-F1530 HydrophobicContact CB-CD1 3.87Å; P1493-F1530 HydrophobicContact CB-CE1 3.83Å; P1493-F1530 HydrophobicContact CG-CD1 4.05Å; P1493-F1530 HydrophobicContact CG-CE1 4.28Å; A1518-F1530 HydrophobicContact CB-CB 4.13Å; A1518-F1530 HydrophobicContact CB-CD1 4.36Å; A1518-F1530 HydrophobicContact CB-CD2 3.81Å; A1518-F1530 HydrophobicContact CB-CE2 4.33Å; A1518-F1530 HydrophobicContact CB-CG 3.83Å; A1518-F1530 WeakPolarHBondContact O-CE2 3.47Å; D1520-F1530 HydrophobicContact CB-CE1 3.92Å; D1520-F1530 HydrophobicContact CB-CZ 3.97Å; P1528-F1530 HydrophobicContact CB-CD2 4.24Å; P1528-F1530 HydrophobicContact CB-CE1 4.49Å; P1528-F1530 HydrophobicContact CB-CE2 3.83Å; P1528-F1530 HydrophobicContact CB-CZ 3.96Å; P1528-F1530 HydrophobicContact CG-CZ 4.39Å; F1530-M1532 HydrophobicContact CB-CE 3.98Å; F1530-F1548 WeakPolarHBondContact O-CZ 3.37Å; F1530-H1556 HydrophobicContact CD2-CB 4.34Å; F1530-H1556 PolarHBondContact N-O 2.92Å; F1530-R1584 WeakPolarHBondContact CA-O 3.47Å |
| 1531 | Y | 88 | Confident | 80.6 | Confident | 83 Ų | 83 | 62.5 Ų | 62.5 | 33% | 0.325 | 32% | 0.322 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -122 | 124.1 | 169.2 | 171.2 | -94.4 | 0 | 0 | 0 | 109.8 | E1533 F1548 Y1582 V1583 R1584 | Y1531-E1533 HydrophobicContact CE1-CG 4.18Å; Y1531-E1533 PolarHBondContact OH-OE2 2.87Å; Y1531-F1548 HydrophobicContact CD2-CE1 4.36Å; Y1531-Y1582 HydrophobicContact CD1-CD1 4.49Å; Y1531-Y1582 HydrophobicContact CD1-CE1 4.39Å; Y1531-Y1582 HydrophobicContact CE1-CD1 4.5Å; Y1531-V1583 WeakPolarHBondContact O-CA 3.17Å; Y1531-R1584 HydrophobicContact CD1-CG 4.16Å; Y1531-R1584 HydrophobicContact CG-CG 4.48Å; Y1531-R1584 PolarHBondContact N-O 2.85Å; Y1531-R1584 PolarHBondContact O-N 3.34Å |
| 1532 | M | 91.2 | Very high | 80.1 | Confident | 0 Ų | 0 | 62.2 Ų | 62.2 | 0% | 0 | 33% | 0.332 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.6 | 133.8 | -178.1 | -73.2 | 169.1 | -103 | 0 | 0 | 111.4 | L1495 A1518 F1530 F1548 G1557 L1559 I1581 Y1582 V1583 | L1495-M1532 HydrophobicContact CD2-SD 4.05Å; A1518-M1532 HydrophobicContact CB-CE 3.54Å; A1518-M1532 HydrophobicContact CB-SD 3.97Å; F1530-M1532 HydrophobicContact CB-CE 3.98Å; M1532-F1548 HydrophobicContact CB-CD2 4Å; M1532-F1548 HydrophobicContact CB-CE2 4.25Å; M1532-F1548 WeakPolarHBondContact O-CB 3.39Å; M1532-F1548 VanDerWaalsContact O-CD2 3.3Å; M1532-F1548 WeakPolarHBondContact O-CD2 3.47Å; M1532-G1557 WeakPolarHBondContact CE-O 3.48Å; M1532-L1559 HydrophobicContact CB-CD1 4.25Å; M1532-I1581 HydrophobicContact CB-CG2 4.4Å; M1532-Y1582 WeakPolarHBondContact CA-O 3.46Å; M1532-V1583 HydrophobicContact CG-CB 3.97Å; M1532-V1583 HydrophobicContact CG-CG2 3.52Å; M1532-V1583 HydrophobicContact SD-CG2 4.39Å |
| 1533 | E | 86 | Confident | 79.9 | Confident | 79 Ų | 79 | 63.7 Ų | 63.7 | 37% | 0.369 | 34% | 0.339 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -141.3 | 156.8 | 164.7 | 64.7 | 166.7 | -160.1 | 0 | 0 | 111.4 | Y1531 A1535 I1581 Y1582 | Y1531-E1533 HydrophobicContact CE1-CG 4.18Å; Y1531-E1533 PolarHBondContact OH-OE2 2.87Å; E1533-A1535 PolarHBondContact O-N 3.05Å; E1533-I1581 CarbonylContact O-C 3.52Å; E1533-I1581 WeakPolarHBondContact O-CA 3.46Å; E1533-I1581 WeakPolarHBondContact O-CG2 3.4Å; E1533-Y1582 HydrophobicContact CG-CD1 4.47Å; E1533-Y1582 PolarHBondContact N-O 2.85Å; E1533-Y1582 PolarHBondContact O-N 2.82Å |
| 1534 | Q | 81.8 | Confident | 80 | Confident | 25 Ų | 25 | 60.2 Ų | 60.2 | 12% | 0.117 | 32% | 0.321 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -63.7 | 129.3 | 168.9 | -166.2 | -172.2 | 37.1 | 0 | 0 | 108.8 | S1536 S1538 M1546 V1579 | Q1534-S1536 PolarHBondContact O-N 3Å; Q1534-S1538 PolarHBondContact NE2-OG 2.59Å; Q1534-M1546 HydrophobicContact CB-CB 4.31Å; Q1534-M1546 HydrophobicContact CB-CG 4.46Å; Q1534-M1546 HydrophobicContact CB-SD 3.63Å; Q1534-M1546 HydrophobicContact CG-SD 3.6Å; Q1534-V1579 HydrophobicContact CG-CG1 4.27Å |
| 1535 | A | 77.6 | Confident | 80.1 | Confident | 4 Ų | 4 | 60.4 Ų | 60.4 | 3% | 0.033 | 31% | 0.312 | C | S | . | . | trans | -56.2 | 131 | -175.4 | 0 | 0 | 0 | 0 | 0 | 110.4 | E1533 N1537 S1538 P1580 | E1533-A1535 PolarHBondContact O-N 3.05Å; A1535-N1537 WeakPolarHBondContact CB-OD1 3.38Å; A1535-N1537 PolarHBondContact O-N 2.88Å; A1535-S1538 WeakPolarHBondContact O-CB 3.07Å; A1535-S1538 PolarHBondContact O-N 3.42Å; A1535-P1580 HydrophobicContact CB-CB 3.86Å; A1535-P1580 HydrophobicContact CB-CG 4.1Å; A1535-P1580 WeakPolarHBondContact CB-O 3.48Å; A1535-P1580 PolarHBondContact N-O 2.87Å | ||
| 1536 | S | 68.9 | Low | 80.6 | Confident | 94 Ų | 94 | 53.9 Ų | 53.9 | 66% | 0.657 | 28% | 0.282 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -64.3 | -13.4 | -166.6 | 58.4 | 0 | 0 | 0 | 0 | 115.1 | Q1534 | Q1534-S1536 PolarHBondContact O-N 3Š|
| 1537 | N | 65.6 | Low | 80.6 | Confident | 121 Ų | 121 | 59.5 Ų | 59.5 | 65% | 0.647 | 30% | 0.302 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -98.2 | 4.4 | 174 | 64.6 | -23.5 | 0 | 0 | 0 | 114.6 | A1535 T1539 | A1535-N1537 WeakPolarHBondContact CB-OD1 3.38Å; A1535-N1537 PolarHBondContact O-N 2.88Å; N1537-T1539 PolarHBondContact O-N 3.39Å |
| 1538 | S | 69.2 | Low | 80.8 | Confident | 10 Ų | 10 | 62.1 Ų | 62.1 | 7% | 0.07 | 31% | 0.314 | C | S | . | . | trans | -57.4 | 122.3 | 178.6 | 177.9 | 0 | 0 | 0 | 0 | 112.1 | Q1534 A1535 Y1540 K1541 | Q1534-S1538 PolarHBondContact NE2-OG 2.59Å; A1535-S1538 WeakPolarHBondContact O-CB 3.07Å; A1535-S1538 PolarHBondContact O-N 3.42Å; S1538-Y1540 PolarHBondContact O-N 3.4Å; S1538-Y1540 PolarHBondContact OG-N 2.8Å; S1538-K1541 WeakPolarHBondContact O-CB 3.13Å; S1538-K1541 PolarHBondContact O-N 3.2Å | ||
| 1539 | T | 68.3 | Low | 80.9 | Confident | 116 Ų | 116 | 62.1 Ų | 62.1 | 71% | 0.712 | 31% | 0.312 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -64.8 | -22.1 | 169.7 | 39.3 | 0 | 0 | 0 | 0 | 112.8 | N1537 K1541 | N1537-T1539 PolarHBondContact O-N 3.39Å; T1539-K1541 VanDerWaalsContact C-N 3.3Å; T1539-K1541 PolarHBondContact O-N 3.03Å |
| 1540 | Y | 79.6 | Confident | 80.8 | Confident | 51 Ų | 51 | 63.5 Ų | 63.5 | 20% | 0.2 | 31% | 0.313 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -90.3 | 12.3 | -178.7 | -41.9 | -75.6 | 0 | 0 | 0 | 113.2 | S1538 D1542 M1543 F1544 L1577 Y1578 V1579 | S1538-Y1540 PolarHBondContact O-N 3.4Å; S1538-Y1540 PolarHBondContact OG-N 2.8Å; Y1540-D1542 VanDerWaalsContact C-N 3.29Å; Y1540-D1542 PolarHBondContact O-N 3.36Å; Y1540-M1543 HydrophobicContact CD1-SD 3.79Å; Y1540-M1543 WeakPolarHBondContact O-CB 3.33Å; Y1540-M1543 PolarHBondContact O-N 3.31Å; Y1540-F1544 PolarHBondContact O-N 2.93Å; Y1540-F1544 VanDerWaalsContact O-N 3.12Å; Y1540-L1577 HydrophobicContact CE1-CB 4.38Å; Y1540-L1577 HydrophobicContact CE1-CD2 3.92Å; Y1540-Y1578 VanDerWaalsContact CE2-O 3.31Å; Y1540-Y1578 WeakPolarHBondContact CE2-O 3.45Å; Y1540-V1579 HydrophobicContact CD2-CB 4.21Å; Y1540-V1579 HydrophobicContact CD2-CG1 4.18Å; Y1540-V1579 HydrophobicContact CD2-CG2 3.94Å; Y1540-V1579 HydrophobicContact CG-CG2 4.1Å |
| 1541 | K | 72.8 | Confident | 80.2 | Confident | 116 Ų | 116 | 70.3 Ų | 70.3 | 50% | 0.504 | 35% | 0.345 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -62.4 | -32.1 | -175.7 | -174.7 | 167.6 | -172.2 | 165.3 | 0 | 114.4 | S1538 T1539 | S1538-K1541 WeakPolarHBondContact O-CB 3.13Å; S1538-K1541 PolarHBondContact O-N 3.2Å; T1539-K1541 VanDerWaalsContact C-N 3.3Å; T1539-K1541 PolarHBondContact O-N 3.03Å |
| 1542 | D | 74.8 | Confident | 79.7 | Confident | 142 Ų | 142 | 68.4 Ų | 68.4 | 76% | 0.759 | 34% | 0.34 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -87.8 | -7.7 | 175.5 | -61.4 | -35 | 0 | 0 | 0 | 112.6 | Y1540 T1564 | Y1540-D1542 VanDerWaalsContact C-N 3.29Å; Y1540-D1542 PolarHBondContact O-N 3.36Å; D1542-T1564 PolarHBondContact O-OG1 3Å |
| 1543 | M | 81.2 | Confident | 79.2 | Confident | 40 Ų | 40 | 70.5 Ų | 70.5 | 20% | 0.197 | 35% | 0.352 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -97.1 | -25.6 | -178.7 | -59.2 | -179.4 | 177.1 | 0 | 0 | 113.9 | Y1540 T1564 V1565 F1567 | Y1540-M1543 HydrophobicContact CD1-SD 3.79Å; Y1540-M1543 WeakPolarHBondContact O-CB 3.33Å; Y1540-M1543 PolarHBondContact O-N 3.31Å; M1543-T1564 WeakPolarHBondContact CA-OG1 2.89Å; M1543-T1564 PolarHBondContact O-N 3.32Å; M1543-T1564 PolarHBondContact O-OG1 3.29Å; M1543-T1564 VanDerWaalsContact O-OG1 3.04Å; M1543-V1565 HydrophobicContact CB-CG2 3.85Å; M1543-V1565 HydrophobicContact CG-CG2 3.95Å; M1543-F1567 HydrophobicContact CB-CE1 4.4Å; M1543-F1567 HydrophobicContact CB-CZ 4.15Å; M1543-F1567 HydrophobicContact SD-CE1 4.13Å |
| 1544 | F | 86.2 | Confident | 79 | Confident | 1 Ų | 1 | 76.4 Ų | 76.4 | 0% | 0.004 | 38% | 0.377 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.5 | 117.1 | 178.5 | -56.7 | -78.5 | 0 | 0 | 0 | 111.6 | L1513 Y1540 M1546 V1561 K1562 T1564 F1567 L1577 V1579 V1599 | L1513-F1544 HydrophobicContact CD1-CD1 3.85Å; L1513-F1544 HydrophobicContact CD1-CE1 3.61Å; Y1540-F1544 PolarHBondContact O-N 2.93Å; Y1540-F1544 VanDerWaalsContact O-N 3.12Å; F1544-M1546 HydrophobicContact CB-CE 4.1Å; F1544-M1546 HydrophobicContact CB-CG 4.34Å; F1544-M1546 PolarHBondContact O-N 3.49Å; F1544-V1561 HydrophobicContact CB-CG1 4.37Å; F1544-V1561 HydrophobicContact CD1-CG1 4.27Å; F1544-K1562 CarbonylContact C-O 3.51Å; F1544-K1562 VanDerWaalsContact CA-O 3.32Å; F1544-K1562 WeakPolarHBondContact CA-O 3.06Å; F1544-T1564 PolarHBondContact N-OG1 3.22Å; F1544-F1567 HydrophobicContact CE1-CE2 4.05Å; F1544-F1567 AromaticContact CE1-CZ 3.76Å; F1544-F1567 HydrophobicContact CE1-CZ 3.76Å; F1544-F1567 HydrophobicContact CE2-CZ 4.11Å; F1544-F1567 HydrophobicContact CZ-CE1 4.19Å; F1544-F1567 HydrophobicContact CZ-CE2 4.16Å; F1544-F1567 AromaticContact CZ-CZ 3.46Å; F1544-F1567 HydrophobicContact CZ-CZ 3.46Å; F1544-F1567 VanDerWaalsContact CZ-CZ 3.46Å; F1544-L1577 HydrophobicContact CE2-CD1 4.3Å; F1544-L1577 HydrophobicContact CZ-CD1 4.01Å; F1544-V1579 HydrophobicContact CD2-CG1 4.44Å; F1544-V1579 HydrophobicContact CD2-CG2 3.75Å; F1544-V1579 HydrophobicContact CE2-CG2 3.5Å; F1544-V1579 HydrophobicContact CZ-CG2 4.29Å; F1544-V1599 HydrophobicContact CE1-CB 4.46Å; F1544-V1599 HydrophobicContact CE1-CG1 4.02Å; F1544-V1599 HydrophobicContact CE1-CG2 4.12Å; F1544-V1599 HydrophobicContact CZ-CB 4.11Å; F1544-V1599 HydrophobicContact CZ-CG1 3.95Å; F1544-V1599 HydrophobicContact CZ-CG2 4.04Å |
| 1545 | H | 82.8 | Confident | 78.9 | Confident | 106 Ų | 106 | 76.8 Ų | 76.8 | 49% | 0.491 | 39% | 0.387 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -78.6 | 106.5 | 167.5 | 176.9 | -69.1 | 0 | 0 | 0 | 109.5 | K1562 T1564 | H1545-K1562 HydrophobicContact CB-CB 4.49Å; H1545-K1562 PolarHBondContact N-O 3.22Å; H1545-K1562 PolarHBondContact O-N 3.48Å; H1545-T1564 HydrophobicContact CB-CG2 3.67Å |
| 1546 | M | 89 | Confident | 79.3 | Confident | 30 Ų | 30 | 80.4 Ų | 80.4 | 15% | 0.148 | 40% | 0.403 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.8 | 133.9 | 177.4 | -64.6 | -175 | 168.5 | 0 | 0 | 111.5 | Q1534 F1544 L1559 E1560 V1561 V1579 I1581 L1597 | Q1534-M1546 HydrophobicContact CB-CB 4.31Å; Q1534-M1546 HydrophobicContact CB-CG 4.46Å; Q1534-M1546 HydrophobicContact CB-SD 3.63Å; Q1534-M1546 HydrophobicContact CG-SD 3.6Å; F1544-M1546 HydrophobicContact CB-CE 4.1Å; F1544-M1546 HydrophobicContact CB-CG 4.34Å; F1544-M1546 PolarHBondContact O-N 3.49Å; M1546-L1559 HydrophobicContact CB-CD2 3.99Å; M1546-L1559 HydrophobicContact CB-CG 4.2Å; M1546-L1559 HydrophobicContact CG-CD2 4.21Å; M1546-L1559 HydrophobicContact SD-CD2 3.82Å; M1546-E1560 CarbonylContact C-O 3.44Å; M1546-E1560 VanDerWaalsContact CA-O 3.27Å; M1546-E1560 WeakPolarHBondContact CA-O 3.48Å; M1546-V1561 HydrophobicContact CE-CG1 3.72Å; M1546-V1561 HydrophobicContact CE-CG2 4.05Å; M1546-V1561 HydrophobicContact CG-CG1 4.19Å; M1546-V1561 HydrophobicContact CG-CG2 4.18Å; M1546-V1579 HydrophobicContact CE-CB 4.26Å; M1546-V1579 HydrophobicContact CE-CG1 3.63Å; M1546-V1579 HydrophobicContact SD-CG1 4.43Å; M1546-I1581 HydrophobicContact CE-CD1 4.42Å; M1546-I1581 HydrophobicContact SD-CD1 4.38Å; M1546-I1581 HydrophobicContact SD-CG1 4.24Å; M1546-L1597 HydrophobicContact CE-CD2 3.47Å; M1546-L1597 VanDerWaalsContact CE-CD2 3.47Å |
| 1547 | R | 85.1 | Confident | 80 | Confident | 136 Ų | 136 | 76 Ų | 76 | 51% | 0.513 | 37% | 0.372 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.2 | 120.3 | -179.9 | 175.5 | -177 | 174.9 | -163.5 | -3.6 | 111.5 | I1549 L1559 E1560 | R1547-I1549 HydrophobicContact CG-CG1 4.16Å; R1547-L1559 CarbonylContact O-C 3.53Å; R1547-L1559 WeakPolarHBondContact O-CA 3.39Å; R1547-E1560 HydrophobicContact CB-CB 4.45Å; R1547-E1560 PolarHBondContact N-O 3.03Å; R1547-E1560 PolarHBondContact O-N 2.81Å |
| 1548 | F | 89.6 | Confident | 81.1 | Confident | 55 Ų | 55 | 70.2 Ų | 70.2 | 24% | 0.241 | 34% | 0.341 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -71.7 | 140.3 | 167.2 | -173 | -107.1 | 0 | 0 | 0 | 111.6 | F1530 Y1531 M1532 Q1550 G1558 L1559 | F1530-F1548 WeakPolarHBondContact O-CZ 3.37Å; Y1531-F1548 HydrophobicContact CD2-CE1 4.36Å; M1532-F1548 HydrophobicContact CB-CD2 4Å; M1532-F1548 HydrophobicContact CB-CE2 4.25Å; M1532-F1548 WeakPolarHBondContact O-CB 3.39Å; M1532-F1548 VanDerWaalsContact O-CD2 3.3Å; M1532-F1548 WeakPolarHBondContact O-CD2 3.47Å; F1548-Q1550 HydrophobicContact CE1-CB 4.33Å; F1548-G1558 CarbonylContact C-O 3.54Å; F1548-G1558 VanDerWaalsContact CA-O 3.32Å; F1548-G1558 WeakPolarHBondContact CA-O 3.38Å; F1548-G1558 VanDerWaalsContact CD2-O 3.25Å; F1548-G1558 WeakPolarHBondContact CD2-O 3.45Å; F1548-L1559 HydrophobicContact CB-CD1 4.1Å |
| 1549 | I | 85.7 | Confident | 82.1 | Confident | 29 Ų | 29 | 69.8 Ų | 69.8 | 15% | 0.149 | 34% | 0.338 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.6 | 122 | 176.8 | -54.5 | -178.5 | 0 | 0 | 0 | 106.2 | R1547 E1551 L1552 G1558 E1560 | R1547-I1549 HydrophobicContact CG-CG1 4.16Å; I1549-E1551 VanDerWaalsContact C-N 3.31Å; I1549-E1551 HydrophobicContact CG2-CB 4.22Å; I1549-E1551 VanDerWaalsContact CG2-OE2 3.25Å; I1549-E1551 WeakPolarHBondContact CG2-OE2 3.3Å; I1549-L1552 HydrophobicContact CB-CB 4.39Å; I1549-L1552 HydrophobicContact CB-CD1 3.95Å; I1549-L1552 HydrophobicContact CB-CG 3.94Å; I1549-L1552 HydrophobicContact CD1-CD1 4.17Å; I1549-L1552 HydrophobicContact CD1-CG 4.46Å; I1549-L1552 HydrophobicContact CG1-CD1 4.31Å; I1549-L1552 HydrophobicContact CG2-CG 4.2Å; I1549-L1552 PolarHBondContact O-N 2.99Å; I1549-G1558 PolarHBondContact N-O 2.81Å; I1549-G1558 PolarHBondContact O-N 3.03Å; I1549-E1560 HydrophobicContact CD1-CG 3.93Å |
| 1550 | Q | 82 | Confident | 83.1 | Confident | 85 Ų | 85 | 66.2 Ų | 66.2 | 40% | 0.397 | 31% | 0.313 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -72.9 | -30.6 | -178.8 | -169.6 | 65.7 | 63.4 | 0 | 0 | 111.1 | F1548 L1552 G1555 G1557 | F1548-Q1550 HydrophobicContact CE1-CB 4.33Å; Q1550-L1552 PolarHBondContact O-N 3.39Å; Q1550-G1555 PolarHBondContact NE2-O 2.95Å; Q1550-G1555 CarbonylContact O-C 3.56Å; Q1550-G1555 VanDerWaalsContact O-C 3.25Å; Q1550-G1555 WeakPolarHBondContact O-CA 3.33Å; Q1550-G1557 PolarHBondContact O-N 2.71Å |
| 1551 | E | 78.9 | Confident | 83.5 | Confident | 154 Ų | 154 | 63.8 Ų | 63.8 | 72% | 0.72 | 30% | 0.304 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -76.7 | -3.4 | 179.4 | -51.8 | 92.6 | 149 | 0 | 0 | 113.9 | I1549 | I1549-E1551 VanDerWaalsContact C-N 3.31Å; I1549-E1551 HydrophobicContact CG2-CB 4.22Å; I1549-E1551 VanDerWaalsContact CG2-OE2 3.25Å; I1549-E1551 WeakPolarHBondContact CG2-OE2 3.3Å |
| 1552 | L | 77.2 | Confident | 84.1 | Confident | 42 Ų | 42 | 61 Ų | 61 | 22% | 0.22 | 29% | 0.291 | C | S | . | . | S | Bend | trans | -72 | 153.8 | 166.3 | -84 | 175.2 | 0 | 0 | 0 | 110.3 | T1515 I1549 Q1550 F1554 G1555 G1557 | T1515-L1552 HydrophobicContact CG2-CD1 4.19Å; T1515-L1552 HydrophobicContact CG2-CD2 4.41Å; I1549-L1552 HydrophobicContact CB-CB 4.39Å; I1549-L1552 HydrophobicContact CB-CD1 3.95Å; I1549-L1552 HydrophobicContact CB-CG 3.94Å; I1549-L1552 HydrophobicContact CD1-CD1 4.17Å; I1549-L1552 HydrophobicContact CD1-CG 4.46Å; I1549-L1552 HydrophobicContact CG1-CD1 4.31Å; I1549-L1552 HydrophobicContact CG2-CG 4.2Å; I1549-L1552 PolarHBondContact O-N 2.99Å; Q1550-L1552 PolarHBondContact O-N 3.39Å; L1552-F1554 PolarHBondContact O-N 2.93Å; L1552-G1555 PolarHBondContact O-N 3.5Å; L1552-G1557 WeakPolarHBondContact O-CA 3.3Å; L1552-G1557 PolarHBondContact O-N 3.42Å |
| 1553 | D | 80.4 | Confident | 84.5 | Confident | 45 Ų | 45 | 54.3 Ų | 54.3 | 24% | 0.241 | 26% | 0.256 | C | S | . | . | G | 310 helix | trans | 49.1 | 57.7 | -177.6 | -142.8 | -12.8 | 0 | 0 | 0 | 112.6 | T1517 G1555 H1556 | T1517-D1553 WeakPolarHBondContact CB-OD2 3.01Å; T1517-D1553 HydrophobicContact CG2-CB 3.77Å; T1517-D1553 WeakPolarHBondContact CG2-OD2 3.43Å; T1517-D1553 PolarHBondContact OG1-OD2 3.36Å; D1553-G1555 PolarHBondContact O-N 2.71Å; D1553-H1556 HydrophobicContact CB-CB 4.37Å; D1553-H1556 WeakPolarHBondContact O-CB 3.11Å; D1553-H1556 PolarHBondContact O-CD2 3.12Å; D1553-H1556 PolarHBondContact O-N 3.44Å |
| 1554 | F | 82.9 | Confident | 84.4 | Confident | 203 Ų | 203 | 55.5 Ų | 55.5 | 89% | 0.89 | 27% | 0.266 | S | S | * | . | G | 310 helix | trans | 56.7 | 8.5 | 179 | -55 | -83 | 0 | 0 | 0 | 116.8 | L1552 | L1552-F1554 PolarHBondContact O-N 2.93Š|
| 1555 | G | 79.9 | Confident | 84.1 | Confident | 32 Ų | 32 | 57.8 Ų | 57.8 | 33% | 0.33 | 28% | 0.28 | S | S | . | . | G | 310 helix | trans | 118.1 | -12 | -174.5 | 0 | 0 | 0 | 0 | 0 | 114.1 | Q1550 L1552 D1553 G1557 | Q1550-G1555 PolarHBondContact NE2-O 2.95Å; Q1550-G1555 CarbonylContact O-C 3.56Å; Q1550-G1555 VanDerWaalsContact O-C 3.25Å; Q1550-G1555 WeakPolarHBondContact O-CA 3.33Å; L1552-G1555 PolarHBondContact O-N 3.5Å; D1553-G1555 PolarHBondContact O-N 2.71Å; G1555-G1557 VanDerWaalsContact C-N 3.25Å; G1555-G1557 PolarHBondContact O-N 2.85Å |
| 1556 | H | 86.1 | Confident | 83.9 | Confident | 81 Ų | 81 | 58 Ų | 58 | 38% | 0.375 | 28% | 0.279 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -70.3 | -21.5 | 177.3 | -56.7 | -60.2 | 0 | 0 | 0 | 112.6 | P1528 F1530 D1553 | P1528-H1556 HydrophobicContact CB-CB 4.27Å; P1528-H1556 WeakPolarHBondContact CB-ND1 3.47Å; F1530-H1556 HydrophobicContact CD2-CB 4.34Å; F1530-H1556 PolarHBondContact N-O 2.92Å; D1553-H1556 HydrophobicContact CB-CB 4.37Å; D1553-H1556 WeakPolarHBondContact O-CB 3.11Å; D1553-H1556 PolarHBondContact O-CD2 3.12Å; D1553-H1556 PolarHBondContact O-N 3.44Å |
| 1557 | G | 83.1 | Confident | 83.6 | Confident | 0 Ų | 0 | 57 Ų | 57 | 0% | 0 | 27% | 0.274 | C | S | . | . | trans | 100.7 | 148.9 | 172.6 | 0 | 0 | 0 | 0 | 0 | 114.1 | M1532 Q1550 L1552 G1555 | M1532-G1557 WeakPolarHBondContact CE-O 3.48Å; Q1550-G1557 PolarHBondContact O-N 2.71Å; L1552-G1557 WeakPolarHBondContact O-CA 3.3Å; L1552-G1557 PolarHBondContact O-N 3.42Å; G1555-G1557 VanDerWaalsContact C-N 3.25Å; G1555-G1557 PolarHBondContact O-N 2.85Å | ||
| 1558 | G | 89.4 | Confident | 83.2 | Confident | 0 Ų | 0 | 53.8 Ų | 53.8 | 0% | 0 | 27% | 0.267 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -164.7 | 178.5 | -178.7 | 0 | 0 | 0 | 0 | 0 | 114 | V1516 F1548 I1549 | V1516-G1558 CarbonylContact O-C 3.55Å; V1516-G1558 VanDerWaalsContact O-CA 3.32Å; V1516-G1558 WeakPolarHBondContact O-CA 3.24Å; F1548-G1558 CarbonylContact C-O 3.54Å; F1548-G1558 VanDerWaalsContact CA-O 3.32Å; F1548-G1558 WeakPolarHBondContact CA-O 3.38Å; F1548-G1558 VanDerWaalsContact CD2-O 3.25Å; F1548-G1558 WeakPolarHBondContact CD2-O 3.45Å; I1549-G1558 PolarHBondContact N-O 2.81Å; I1549-G1558 PolarHBondContact O-N 3.03Å |
| 1559 | L | 90.1 | Very high | 82.8 | Confident | 2 Ų | 2 | 51.9 Ų | 51.9 | 1% | 0.01 | 26% | 0.258 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128 | 118.5 | -169.2 | -153.4 | 79.9 | 0 | 0 | 0 | 111.2 | T1515 V1516 M1532 M1546 R1547 F1548 V1561 I1581 | T1515-L1559 CarbonylContact C-O 3.54Å; T1515-L1559 WeakPolarHBondContact CA-O 3.37Å; V1516-L1559 HydrophobicContact CB-CB 4.27Å; V1516-L1559 PolarHBondContact N-O 3.1Å; V1516-L1559 PolarHBondContact O-N 3.5Å; M1532-L1559 HydrophobicContact CB-CD1 4.25Å; M1546-L1559 HydrophobicContact CB-CD2 3.99Å; M1546-L1559 HydrophobicContact CB-CG 4.2Å; M1546-L1559 HydrophobicContact CG-CD2 4.21Å; M1546-L1559 HydrophobicContact SD-CD2 3.82Å; R1547-L1559 CarbonylContact O-C 3.53Å; R1547-L1559 WeakPolarHBondContact O-CA 3.39Å; F1548-L1559 HydrophobicContact CB-CD1 4.1Å; L1559-V1561 HydrophobicContact CD2-CG2 4.41Å; L1559-I1581 HydrophobicContact CD2-CD1 3.73Å; L1559-I1581 HydrophobicContact CD2-CG1 4.22Å; L1559-I1581 HydrophobicContact CD2-CG2 4.41Å |
| 1560 | E | 87.6 | Confident | 82.4 | Confident | 41 Ų | 41 | 53 Ų | 53 | 19% | 0.192 | 26% | 0.263 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -76.4 | 137.1 | 163.3 | -81.9 | -166.2 | 137.4 | 0 | 0 | 110.1 | L1512 T1515 M1546 R1547 I1549 K1562 | L1512-E1560 HydrophobicContact CD1-CB 4.28Å; L1512-E1560 HydrophobicContact CD1-CG 4.28Å; T1515-E1560 HydrophobicContact CG2-CG 4.11Å; M1546-E1560 CarbonylContact C-O 3.44Å; M1546-E1560 VanDerWaalsContact CA-O 3.27Å; M1546-E1560 WeakPolarHBondContact CA-O 3.48Å; R1547-E1560 HydrophobicContact CB-CB 4.45Å; R1547-E1560 PolarHBondContact N-O 3.03Å; R1547-E1560 PolarHBondContact O-N 2.81Å; I1549-E1560 HydrophobicContact CD1-CG 3.93Å; E1560-K1562 IonicContact OE1-NZ 3.79Å; E1560-K1562 PolarHBondContact OE1-NZ 3.21Å; E1560-K1562 IonicContact OE2-NZ 2.9Å; E1560-K1562 PolarHBondContact OE2-NZ 2.74Å |
| 1561 | V | 89.1 | Confident | 81.5 | Confident | 0 Ų | 0 | 53.9 Ų | 53.9 | 0% | 0 | 27% | 0.27 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.6 | 122.9 | 177.5 | -174.2 | 0 | 0 | 0 | 0 | 111.3 | L1513 A1514 V1516 F1544 M1546 L1559 L1597 | L1513-V1561 PolarHBondContact N-O 2.82Å; A1514-V1561 PolarHBondContact N-O 2.79Å; A1514-V1561 PolarHBondContact O-N 3.48Å; V1516-V1561 HydrophobicContact CG2-CG2 3.95Å; F1544-V1561 HydrophobicContact CB-CG1 4.37Å; F1544-V1561 HydrophobicContact CD1-CG1 4.27Å; M1546-V1561 HydrophobicContact CE-CG1 3.72Å; M1546-V1561 HydrophobicContact CE-CG2 4.05Å; M1546-V1561 HydrophobicContact CG-CG1 4.19Å; M1546-V1561 HydrophobicContact CG-CG2 4.18Å; L1559-V1561 HydrophobicContact CD2-CG2 4.41Å; V1561-L1597 HydrophobicContact CB-CD2 4.37Å; V1561-L1597 HydrophobicContact CG1-CD2 3.88Å; V1561-L1597 HydrophobicContact CG2-CD2 3.85Å |
| 1562 | K | 85.3 | Confident | 80.4 | Confident | 56 Ų | 56 | 50 Ų | 50 | 24% | 0.243 | 27% | 0.272 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127 | 132.1 | 178.8 | -78.1 | 151.9 | -178.4 | 154.9 | 0 | 111.2 | R1511 L1512 F1544 H1545 E1560 | R1511-K1562 VanDerWaalsContact O-CA 3.28Å; R1511-K1562 WeakPolarHBondContact O-CA 3.16Å; L1512-K1562 HydrophobicContact CB-CG 4.15Å; L1512-K1562 HydrophobicContact CD1-CD 4.44Å; L1512-K1562 HydrophobicContact CD1-CG 4.1Å; F1544-K1562 CarbonylContact C-O 3.51Å; F1544-K1562 VanDerWaalsContact CA-O 3.32Å; F1544-K1562 WeakPolarHBondContact CA-O 3.06Å; H1545-K1562 HydrophobicContact CB-CB 4.49Å; H1545-K1562 PolarHBondContact N-O 3.22Å; H1545-K1562 PolarHBondContact O-N 3.48Å; E1560-K1562 IonicContact OE1-NZ 3.79Å; E1560-K1562 PolarHBondContact OE1-NZ 3.21Å; E1560-K1562 IonicContact OE2-NZ 2.9Å; E1560-K1562 PolarHBondContact OE2-NZ 2.74Å |
| 1563 | A | 82.6 | Confident | 79.5 | Confident | 3 Ų | 3 | 52.3 Ų | 52.3 | 3% | 0.025 | 28% | 0.282 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -65.8 | 132.4 | 171.1 | 0 | 0 | 0 | 0 | 0 | 110.3 | A1510 R1511 L1513 F1567 | A1510-A1563 WeakPolarHBondContact CA-O 3.44Å; A1510-A1563 PolarHBondContact N-O 2.99Å; R1511-A1563 PolarHBondContact O-N 3.3Å; L1513-A1563 HydrophobicContact CD1-CB 4.06Å; L1513-A1563 HydrophobicContact CD2-CB 4.4Å; L1513-A1563 HydrophobicContact CG-CB 4.29Å; A1563-F1567 HydrophobicContact CB-CE2 4.12Å |
| 1564 | T | 78.6 | Confident | 78.5 | Confident | 64 Ų | 64 | 51.8 Ų | 51.8 | 39% | 0.393 | 29% | 0.286 | S | S | . | . | trans | -104 | -14.6 | 173.2 | 39.6 | 0 | 0 | 0 | 0 | 113.5 | P1509 D1542 M1543 F1544 H1545 | P1509-T1564 WeakPolarHBondContact CB-O 3.47Å; D1542-T1564 PolarHBondContact O-OG1 3Å; M1543-T1564 WeakPolarHBondContact CA-OG1 2.89Å; M1543-T1564 PolarHBondContact O-N 3.32Å; M1543-T1564 PolarHBondContact O-OG1 3.29Å; M1543-T1564 VanDerWaalsContact O-OG1 3.04Å; F1544-T1564 PolarHBondContact N-OG1 3.22Å; H1545-T1564 HydrophobicContact CB-CG2 3.67Å | ||
| 1565 | V | 81 | Confident | 77.9 | Confident | 50 Ų | 50 | 45.2 Ų | 45.2 | 30% | 0.303 | 26% | 0.258 | S | S | . | . | S | Bend | trans | -115.9 | 164 | 175.3 | -61 | 0 | 0 | 0 | 0 | 111.3 | M1543 F1567 | M1543-V1565 HydrophobicContact CB-CG2 3.85Å; M1543-V1565 HydrophobicContact CG-CG2 3.95Å; V1565-F1567 HydrophobicContact CG2-CD1 4.27Å; V1565-F1567 HydrophobicContact CG2-CD2 4.41Å; V1565-F1567 HydrophobicContact CG2-CE1 3.74Å; V1565-F1567 HydrophobicContact CG2-CE2 3.9Å; V1565-F1567 HydrophobicContact CG2-CZ 3.53Å |
| 1566 | K | 77.7 | Confident | 77.7 | Confident | 109 Ų | 109 | 47 Ų | 47 | 47% | 0.474 | 26% | 0.259 | S | S | . | . | trans | -88.6 | 134.4 | 164.6 | 170.1 | -175.1 | 176.2 | -157.8 | 0 | 107.4 | N1506 E1507 | N1506-K1566 WeakPolarHBondContact O-CE 3.42Å; N1506-K1566 WeakPolarHBondContact OD1-CE 3.5Å; N1506-K1566 PolarHBondContact OD1-NZ 2.85Å; E1507-K1566 WeakPolarHBondContact O-CG 3.35Å | ||
| 1567 | F | 83.2 | Confident | 77.3 | Confident | 9 Ų | 9 | 43.3 Ų | 43.3 | 4% | 0.039 | 24% | 0.242 | C | C | . | . | trans | -98.3 | 158.8 | 177.4 | -62.6 | -85.1 | 0 | 0 | 0 | 111.5 | V1503 N1506 M1543 F1544 A1563 V1565 L1577 V1601 | V1503-F1567 HydrophobicContact CB-CD2 4.46Å; V1503-F1567 HydrophobicContact CG1-CD2 3.63Å; V1503-F1567 HydrophobicContact CG1-CE2 4.1Å; V1503-F1567 HydrophobicContact CG1-CG 4.18Å; V1503-F1567 HydrophobicContact CG2-CD2 4.02Å; N1506-F1567 PolarHBondContact N-O 3.36Å; M1543-F1567 HydrophobicContact CB-CE1 4.4Å; M1543-F1567 HydrophobicContact CB-CZ 4.15Å; M1543-F1567 HydrophobicContact SD-CE1 4.13Å; F1544-F1567 HydrophobicContact CE1-CE2 4.05Å; F1544-F1567 AromaticContact CE1-CZ 3.76Å; F1544-F1567 HydrophobicContact CE1-CZ 3.76Å; F1544-F1567 HydrophobicContact CE2-CZ 4.11Å; F1544-F1567 HydrophobicContact CZ-CE1 4.19Å; F1544-F1567 HydrophobicContact CZ-CE2 4.16Å; F1544-F1567 AromaticContact CZ-CZ 3.46Å; F1544-F1567 HydrophobicContact CZ-CZ 3.46Å; F1544-F1567 VanDerWaalsContact CZ-CZ 3.46Å; A1563-F1567 HydrophobicContact CB-CE2 4.12Å; V1565-F1567 HydrophobicContact CG2-CD1 4.27Å; V1565-F1567 HydrophobicContact CG2-CD2 4.41Å; V1565-F1567 HydrophobicContact CG2-CE1 3.74Å; V1565-F1567 HydrophobicContact CG2-CE2 3.9Å; V1565-F1567 HydrophobicContact CG2-CZ 3.53Å; F1567-L1577 HydrophobicContact CD1-CD1 3.93Å; F1567-L1577 HydrophobicContact CE1-CD1 3.5Å; F1567-L1577 HydrophobicContact CZ-CD1 4.18Å; F1567-V1601 HydrophobicContact CB-CG1 3.78Å; F1567-V1601 HydrophobicContact CB-CG2 4.18Å; F1567-V1601 HydrophobicContact CD1-CG2 4.28Å; F1567-V1601 HydrophobicContact CG-CG2 4.3Å | ||
| 1568 | D | 76.3 | Confident | 77.2 | Confident | 70 Ų | 70 | 48 Ų | 48 | 37% | 0.374 | 26% | 0.26 | S | S | . | . | trans | -143.7 | 124.3 | -177.3 | -142.2 | 70.1 | 0 | 0 | 0 | 102.7 | N1506 E1570 D1571 | N1506-D1568 PolarHBondContact ND2-OD1 3.29Å; D1568-E1570 PolarHBondContact O-N 3.22Å; D1568-D1571 HydrophobicContact CB-CB 4.1Å | ||
| 1569 | R | 81.9 | Confident | 76.8 | Confident | 14 Ų | 14 | 48 Ų | 48 | 5% | 0.053 | 26% | 0.26 | C | S | . | . | S | Bend | trans | -78.6 | -17.5 | -169.1 | 179.9 | -178.9 | 174.4 | 127.3 | -22.2 | 111.5 | E1505 K1575 V1601 D1603 D1640 | E1505-R1569 HydrophobicContact CB-CB 4.08Å; R1569-K1575 HydrophobicContact CG-CB 4.32Å; R1569-K1575 HydrophobicContact CG-CD 3.98Å; R1569-K1575 HydrophobicContact CG-CG 3.78Å; R1569-V1601 HydrophobicContact CB-CG1 3.94Å; R1569-V1601 WeakPolarHBondContact CD-O 3.25Å; R1569-V1601 PolarHBondContact NH1-O 2.86Å; R1569-D1603 WeakPolarHBondContact CD-OD1 3.46Å; R1569-D1603 IonicContact NE-OD1 3.12Å; R1569-D1640 IonicContact CZ-OD1 2.7Å; R1569-D1640 IonicContact NE-OD1 3.37Å; R1569-D1640 PolarHBondContact NE-OD1 3.01Å; R1569-D1640 VanDerWaalsContact NH2-CG 3.31Å; R1569-D1640 PolarHBondContact NH2-O 3.19Å; R1569-D1640 IonicContact NH2-OD1 3.45Å; R1569-D1640 PolarHBondContact NH2-OD1 3.42Å; R1569-D1640 IonicContact NH2-OD2 2.76Å |
| 1570 | E | 77.5 | Confident | 76.3 | Confident | 54 Ų | 54 | 48.8 Ų | 48.8 | 25% | 0.252 | 27% | 0.265 | S | S | . | . | S | Bend | trans | -98.6 | -23.1 | -168.1 | -69.5 | 45.3 | -98.5 | 0 | 0 | 112.3 | D1568 G1572 N1607 | D1568-E1570 PolarHBondContact O-N 3.22Å; E1570-G1572 PolarHBondContact O-N 3.37Å; E1570-N1607 WeakPolarHBondContact CG-ND2 3.28Å |
| 1571 | D | 62 | Low | 76.3 | Confident | 102 Ų | 102 | 46.8 Ų | 46.8 | 55% | 0.545 | 26% | 0.256 | S | S | . | . | S | Bend | trans | -69.7 | 23.3 | -178.6 | -170.2 | 50.1 | 0 | 0 | 0 | 113.8 | D1568 Q1573 | D1568-D1571 HydrophobicContact CB-CB 4.1Å; D1571-Q1573 PolarHBondContact O-N 3.25Å; D1571-Q1573 PolarHBondContact OD2-NE2 3.37Å |
| 1572 | G | 56.1 | Low | 76.1 | Confident | 72 Ų | 72 | 49.9 Ų | 49.9 | 74% | 0.742 | 27% | 0.268 | S | S | * | . | S | Bend | trans | 69.1 | 0.4 | 169.2 | 0 | 0 | 0 | 0 | 0 | 116.4 | E1570 G1574 | E1570-G1572 PolarHBondContact O-N 3.37Å; G1572-G1574 VanDerWaalsContact C-N 3.27Å; G1572-G1574 PolarHBondContact O-N 2.96Å |
| 1573 | Q | 59.2 | Low | 76.3 | Confident | 92 Ų | 92 | 47.2 Ų | 47.2 | 43% | 0.43 | 26% | 0.256 | S | S | . | . | S | Bend | trans | -73.5 | -18.8 | -177.9 | -58.8 | -175.6 | 40.5 | 0 | 0 | 113.2 | D1571 | D1571-Q1573 PolarHBondContact O-N 3.25Å; D1571-Q1573 PolarHBondContact OD2-NE2 3.37Å |
| 1574 | G | 59.7 | Low | 76.6 | Confident | 33 Ų | 33 | 51 Ų | 51 | 34% | 0.34 | 27% | 0.27 | S | S | . | . | trans | 114.9 | 134.8 | 174 | 0 | 0 | 0 | 0 | 0 | 113.1 | G1572 I1576 | G1572-G1574 VanDerWaalsContact C-N 3.27Å; G1572-G1574 PolarHBondContact O-N 2.96Å; G1574-I1576 VanDerWaalsContact C-N 3.25Å; G1574-I1576 PolarHBondContact O-N 3.36Å | ||
| 1575 | K | 69.8 | Low | 77.1 | Confident | 66 Ų | 66 | 48 Ų | 48 | 29% | 0.287 | 25% | 0.251 | S | S | . | . | S | Bend | trans | -70.9 | -21.4 | -177.9 | -52.9 | -167.4 | 171.1 | -165.6 | 0 | 112.9 | R1569 V1601 L1638 D1640 | R1569-K1575 HydrophobicContact CG-CB 4.32Å; R1569-K1575 HydrophobicContact CG-CD 3.98Å; R1569-K1575 HydrophobicContact CG-CG 3.78Å; K1575-V1601 PolarHBondContact O-N 3.32Å; K1575-L1638 PolarHBondContact NZ-O 2.67Å; K1575-D1640 WeakPolarHBondContact CD-OD2 3.3Å; K1575-D1640 IonicContact NZ-OD1 2.76Å; K1575-D1640 PolarHBondContact NZ-OD1 3.33Å; K1575-D1640 IonicContact NZ-OD2 3.09Å; K1575-D1640 PolarHBondContact NZ-OD2 2.85Å |
| 1576 | I | 75.4 | Confident | 77.3 | Confident | 70 Ų | 70 | 49.4 Ų | 49.4 | 36% | 0.359 | 26% | 0.257 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.1 | 126.1 | 173.2 | -52 | -178.7 | 0 | 0 | 0 | 108.5 | G1574 Y1578 E1598 V1600 | G1574-I1576 VanDerWaalsContact C-N 3.25Å; G1574-I1576 PolarHBondContact O-N 3.36Å; I1576-Y1578 HydrophobicContact CB-CE2 4.39Å; I1576-Y1578 HydrophobicContact CG2-CD2 4.45Å; I1576-Y1578 HydrophobicContact CG2-CE1 4.01Å; I1576-Y1578 HydrophobicContact CG2-CE2 3.91Å; I1576-E1598 HydrophobicContact CG2-CG 3.64Å; I1576-V1600 HydrophobicContact CG1-CG2 4.27Å; I1576-V1600 HydrophobicContact CG2-CG2 4.39Å |
| 1577 | L | 78.5 | Confident | 77.5 | Confident | 3 Ų | 3 | 44.3 Ų | 44.3 | 2% | 0.016 | 24% | 0.236 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109 | 101.8 | -176.6 | -54.7 | 174.6 | 0 | 0 | 0 | 109.1 | Y1540 F1544 F1567 V1579 L1597 V1599 V1601 | Y1540-L1577 HydrophobicContact CE1-CB 4.38Å; Y1540-L1577 HydrophobicContact CE1-CD2 3.92Å; F1544-L1577 HydrophobicContact CE2-CD1 4.3Å; F1544-L1577 HydrophobicContact CZ-CD1 4.01Å; F1567-L1577 HydrophobicContact CD1-CD1 3.93Å; F1567-L1577 HydrophobicContact CE1-CD1 3.5Å; F1567-L1577 HydrophobicContact CZ-CD1 4.18Å; L1577-V1579 PolarHBondContact O-N 2.75Å; L1577-L1597 VanDerWaalsContact O-O 3.11Å; L1577-V1599 HydrophobicContact CB-CB 4.37Å; L1577-V1599 PolarHBondContact N-O 2.92Å; L1577-V1599 PolarHBondContact O-N 2.74Å; L1577-V1601 HydrophobicContact CD1-CG2 3.96Å; L1577-V1601 HydrophobicContact CG-CG2 4.27Å |
| 1578 | Y | 79.5 | Confident | 77.1 | Confident | 99 Ų | 99 | 49.7 Ų | 49.7 | 39% | 0.388 | 27% | 0.27 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -81 | 92.9 | 174.6 | -64.3 | -70.7 | 0 | 0 | 0 | 110.3 | Y1540 I1576 P1580 F1596 E1598 | Y1540-Y1578 VanDerWaalsContact CE2-O 3.31Å; Y1540-Y1578 WeakPolarHBondContact CE2-O 3.45Å; I1576-Y1578 HydrophobicContact CB-CE2 4.39Å; I1576-Y1578 HydrophobicContact CG2-CD2 4.45Å; I1576-Y1578 HydrophobicContact CG2-CE1 4.01Å; I1576-Y1578 HydrophobicContact CG2-CE2 3.91Å; Y1578-P1580 WeakPolarHBondContact O-CD 3.39Å; Y1578-F1596 HydrophobicContact CD1-CB 4.41Å; Y1578-E1598 HydrophobicContact CD1-CB 4.26Å; Y1578-E1598 HydrophobicContact CD1-CG 4.23Å; Y1578-E1598 HydrophobicContact CE1-CB 4.14Å; Y1578-E1598 HydrophobicContact CE1-CG 3.72Å; Y1578-E1598 PolarHBondContact OH-OE1 2.94Å |
| 1579 | V | 81.6 | Confident | 77 | Confident | 0 Ų | 0 | 51 Ų | 51 | 0% | 0 | 28% | 0.282 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.8 | 117.9 | -176.9 | -172.6 | 0 | 0 | 0 | 0 | 110.3 | Q1534 Y1540 F1544 M1546 L1577 L1597 V1599 | Q1534-V1579 HydrophobicContact CG-CG1 4.27Å; Y1540-V1579 HydrophobicContact CD2-CB 4.21Å; Y1540-V1579 HydrophobicContact CD2-CG1 4.18Å; Y1540-V1579 HydrophobicContact CD2-CG2 3.94Å; Y1540-V1579 HydrophobicContact CG-CG2 4.1Å; F1544-V1579 HydrophobicContact CD2-CG1 4.44Å; F1544-V1579 HydrophobicContact CD2-CG2 3.75Å; F1544-V1579 HydrophobicContact CE2-CG2 3.5Å; F1544-V1579 HydrophobicContact CZ-CG2 4.29Å; M1546-V1579 HydrophobicContact CE-CB 4.26Å; M1546-V1579 HydrophobicContact CE-CG1 3.63Å; M1546-V1579 HydrophobicContact SD-CG1 4.43Å; L1577-V1579 PolarHBondContact O-N 2.75Å; V1579-L1597 HydrophobicContact CB-CB 4.31Å; V1579-L1597 PolarHBondContact N-O 3.31Å; V1579-L1597 PolarHBondContact O-N 2.85Å; V1579-V1599 HydrophobicContact CG2-CG2 4.44Å |
| 1580 | P | 78.5 | Confident | 76.9 | Confident | 17 Ų | 17 | 53.8 Ų | 53.8 | 11% | 0.11 | 30% | 0.302 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -74.6 | 129.4 | -178.2 | 28.7 | -33.2 | 0 | 0 | 0 | 111.9 | A1535 Y1578 I1594 F1596 | A1535-P1580 HydrophobicContact CB-CB 3.86Å; A1535-P1580 HydrophobicContact CB-CG 4.1Å; A1535-P1580 WeakPolarHBondContact CB-O 3.48Å; A1535-P1580 PolarHBondContact N-O 2.87Å; Y1578-P1580 WeakPolarHBondContact O-CD 3.39Å; P1580-I1594 HydrophobicContact CB-CG2 3.62Å; P1580-F1596 HydrophobicContact CB-CD1 4.12Å; P1580-F1596 HydrophobicContact CB-CE1 3.82Å |
| 1581 | I | 87.7 | Confident | 77.1 | Confident | 0 Ų | 0 | 54.3 Ų | 54.3 | 0% | 0 | 31% | 0.305 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.3 | 127.9 | 173.7 | -66.2 | 173.5 | 0 | 0 | 0 | 107.3 | L1495 M1532 E1533 M1546 L1559 I1594 R1595 L1597 | L1495-I1581 HydrophobicContact CD1-CB 4.13Å; L1495-I1581 HydrophobicContact CD1-CD1 4.02Å; L1495-I1581 HydrophobicContact CD1-CG2 4.44Å; L1495-I1581 HydrophobicContact CD2-CG2 4.15Å; M1532-I1581 HydrophobicContact CB-CG2 4.4Å; E1533-I1581 CarbonylContact O-C 3.52Å; E1533-I1581 WeakPolarHBondContact O-CA 3.46Å; E1533-I1581 WeakPolarHBondContact O-CG2 3.4Å; M1546-I1581 HydrophobicContact CE-CD1 4.42Å; M1546-I1581 HydrophobicContact SD-CD1 4.38Å; M1546-I1581 HydrophobicContact SD-CG1 4.24Å; L1559-I1581 HydrophobicContact CD2-CD1 3.73Å; L1559-I1581 HydrophobicContact CD2-CG1 4.22Å; L1559-I1581 HydrophobicContact CD2-CG2 4.41Å; I1581-I1594 WeakPolarHBondContact O-CA 3.26Å; I1581-R1595 PolarHBondContact N-O 2.96Å; I1581-R1595 PolarHBondContact O-N 3.3Å; I1581-L1597 HydrophobicContact CD1-CB 3.77Å; I1581-L1597 HydrophobicContact CD1-CD2 4.41Å |
| 1582 | Y | 85.2 | Confident | 78.1 | Confident | 65 Ų | 65 | 54.9 Ų | 54.9 | 26% | 0.255 | 31% | 0.305 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -79.6 | 127.5 | 167.8 | 179 | -83.3 | 0 | 0 | 0 | 108.4 | Y1531 M1532 E1533 R1584 H1592 | Y1531-Y1582 HydrophobicContact CD1-CD1 4.49Å; Y1531-Y1582 HydrophobicContact CD1-CE1 4.39Å; Y1531-Y1582 HydrophobicContact CE1-CD1 4.5Å; M1532-Y1582 WeakPolarHBondContact CA-O 3.46Å; E1533-Y1582 HydrophobicContact CG-CD1 4.47Å; E1533-Y1582 PolarHBondContact N-O 2.85Å; E1533-Y1582 PolarHBondContact O-N 2.82Å; Y1582-R1584 HydrophobicContact CE1-CB 4.2Å; Y1582-R1584 HydrophobicContact CE1-CG 4.28Å; Y1582-H1592 HydrophobicContact CE2-CB 4.27Å; Y1582-H1592 AromaticContact CE2-CD2 3.73Å |
| 1583 | V | 91.1 | Very high | 79.4 | Confident | 0 Ų | 0 | 52.1 Ų | 52.1 | 0% | 0 | 28% | 0.275 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.7 | 140.7 | 174.9 | 64.9 | 0 | 0 | 0 | 0 | 110.2 | P1493 L1495 A1518 Y1531 M1532 H1592 A1593 R1595 | P1493-V1583 HydrophobicContact CB-CG1 4.46Å; P1493-V1583 HydrophobicContact CB-CG2 4Å; P1493-V1583 HydrophobicContact CG-CG1 4.26Å; P1493-V1583 HydrophobicContact CG-CG2 3.87Å; P1493-V1583 WeakPolarHBondContact O-CG1 3.49Å; L1495-V1583 HydrophobicContact CD2-CB 4.38Å; L1495-V1583 HydrophobicContact CD2-CG1 4.48Å; A1518-V1583 HydrophobicContact CB-CG2 3.95Å; Y1531-V1583 WeakPolarHBondContact O-CA 3.17Å; M1532-V1583 HydrophobicContact CG-CB 3.97Å; M1532-V1583 HydrophobicContact CG-CG2 3.52Å; M1532-V1583 HydrophobicContact SD-CG2 4.39Å; V1583-H1592 CarbonylContact O-C 3.55Å; V1583-H1592 WeakPolarHBondContact O-CA 3.16Å; V1583-A1593 HydrophobicContact CG1-CB 4.47Å; V1583-A1593 PolarHBondContact N-O 3.33Å; V1583-A1593 PolarHBondContact O-N 2.7Å; V1583-R1595 HydrophobicContact CG1-CB 4.44Å; V1583-R1595 HydrophobicContact CG1-CG 3.63Å |
| 1584 | R | 87.1 | Confident | 80.4 | Confident | 82 Ų | 82 | 51.9 Ų | 51.9 | 31% | 0.309 | 28% | 0.275 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.7 | 153.3 | 171.2 | 69.6 | 164.1 | -166.8 | 88.9 | 6.5 | 111.6 | F1530 Y1531 Y1582 M1591 H1592 | F1530-R1584 WeakPolarHBondContact CA-O 3.47Å; Y1531-R1584 HydrophobicContact CD1-CG 4.16Å; Y1531-R1584 HydrophobicContact CG-CG 4.48Å; Y1531-R1584 PolarHBondContact N-O 2.85Å; Y1531-R1584 PolarHBondContact O-N 3.34Å; Y1582-R1584 HydrophobicContact CE1-CB 4.2Å; Y1582-R1584 HydrophobicContact CE1-CG 4.28Å; R1584-M1591 WeakPolarHBondContact CB-O 3.48Å; R1584-H1592 HydrophobicContact CB-CB 3.81Å |
| 1585 | D | 90.9 | Very high | 81.7 | Confident | 0 Ų | 0 | 53.9 Ų | 53.9 | 0% | 0 | 27% | 0.273 | C | S | . | . | trans | -86.1 | -169.5 | 167.1 | 55.8 | 87.2 | 0 | 0 | 0 | 111.4 | N1489 P1493 N1526 G1527 G1587 P1590 M1591 | N1489-D1585 PolarHBondContact ND2-OD1 3.09Å; P1493-D1585 WeakPolarHBondContact CD-OD2 3.21Å; P1493-D1585 HydrophobicContact CG-CB 4.09Å; N1526-D1585 WeakPolarHBondContact O-CB 3.35Å; G1527-D1585 CarbonylContact O-C 3.52Å; G1527-D1585 VanDerWaalsContact O-CA 3.32Å; G1527-D1585 WeakPolarHBondContact O-CA 3.4Å; G1527-D1585 WeakPolarHBondContact O-CB 3.42Å; D1585-G1587 PolarHBondContact OD1-N 3.32Å; D1585-P1590 VanDerWaalsContact OD1-CA 3.3Å; D1585-P1590 WeakPolarHBondContact OD1-CA 3.34Å; D1585-M1591 VanDerWaalsContact CG-N 3.34Å; D1585-M1591 PolarHBondContact OD1-N 2.73Å; D1585-M1591 WeakPolarHBondContact OD2-CA 3.49Å; D1585-M1591 WeakPolarHBondContact OD2-CB 3.39Å; D1585-M1591 PolarHBondContact OD2-N 3.41Å; D1585-M1591 VanDerWaalsContact OD2-N 3.08Å | ||
| 1586 | N | 84.3 | Confident | 82.2 | Confident | 80 Ų | 80 | 56 Ų | 56 | 43% | 0.428 | 28% | 0.282 | S | S | . | . | trans | -122.5 | 8.4 | -176 | -171 | 69.7 | 0 | 0 | 0 | 113.5 | N1526 G1527 | N1526-N1586 CarbonylContact O-C 3.55Å; N1526-N1586 PolarHBondContact O-N 2.96Å; G1527-N1586 PolarHBondContact O-N 3.16Å | ||
| 1587 | G | 82.5 | Confident | 82.7 | Confident | 3 Ų | 3 | 52.7 Ų | 52.7 | 3% | 0.031 | 27% | 0.265 | C | S | . | . | trans | -72.7 | -173.5 | -171.6 | 0 | 0 | 0 | 0 | 0 | 114.7 | N1526 D1585 P1589 P1590 | N1526-G1587 WeakPolarHBondContact O-CA 3Å; N1526-G1587 PolarHBondContact O-N 3.4Å; N1526-G1587 WeakPolarHBondContact OD1-CA 3.2Å; D1585-G1587 PolarHBondContact OD1-N 3.32Å; G1587-P1589 CarbonylContact O-C 3.53Å; G1587-P1590 VanDerWaalsContact O-CA 3.3Å; G1587-P1590 WeakPolarHBondContact O-CA 3.27Å; G1587-P1590 WeakPolarHBondContact O-CB 3.4Å; G1587-P1590 VanDerWaalsContact O-CD 3.22Å; G1587-P1590 WeakPolarHBondContact O-CD 3.29Å | ||
| 1588 | T | 73.3 | Confident | 82.9 | Confident | 122 Ų | 122 | 54.5 Ų | 54.5 | 75% | 0.748 | 27% | 0.274 | S | S | * | . | S | Bend | trans | -134.4 | 105.3 | -177.3 | 51.2 | 0 | 0 | 0 | 0 | 113.8 | N1526 | N1526-T1588 PolarHBondContact OD1-N 2.81Š|
| 1589 | P | 75.5 | Confident | 83 | Confident | 98 Ų | 98 | 49.8 Ų | 49.8 | 64% | 0.636 | 26% | 0.255 | S | S | * | . | S | Bend | cis | -71.7 | 143.2 | -2 | 31.8 | -35.1 | 0 | 0 | 0 | 112 | N1489 G1587 M1591 | N1489-P1589 PolarHBondContact ND2-O 2.88Å; G1587-P1589 CarbonylContact O-C 3.53Å; P1589-M1591 PolarHBondContact O-N 3.19Å |
| 1590 | P | 78.5 | Confident | 83 | Confident | 72 Ų | 72 | 50.7 Ų | 50.7 | 47% | 0.468 | 26% | 0.26 | S | S | . | . | P | Polyproline II helix | trans | -70.5 | 134.4 | -177.3 | 28.1 | -33.8 | 0 | 0 | 0 | 110.6 | D1585 G1587 | D1585-P1590 VanDerWaalsContact OD1-CA 3.3Å; D1585-P1590 WeakPolarHBondContact OD1-CA 3.34Å; G1587-P1590 VanDerWaalsContact O-CA 3.3Å; G1587-P1590 WeakPolarHBondContact O-CA 3.27Å; G1587-P1590 WeakPolarHBondContact O-CB 3.4Å; G1587-P1590 VanDerWaalsContact O-CD 3.22Å; G1587-P1590 WeakPolarHBondContact O-CD 3.29Å |
| 1591 | M | 83.3 | Confident | 83 | Confident | 64 Ų | 64 | 50 Ų | 50 | 32% | 0.315 | 26% | 0.256 | S | S | . | . | P | Polyproline II helix | trans | -86.4 | 173.9 | 177.5 | -72.3 | -79.1 | -76.4 | 0 | 0 | 109.5 | N1489 D1490 N1491 A1492 R1584 D1585 P1589 | N1489-M1591 WeakPolarHBondContact ND2-CG 3.48Å; N1489-M1591 PolarHBondContact ND2-N 2.81Å; D1490-M1591 WeakPolarHBondContact O-CE 3.35Å; N1491-M1591 WeakPolarHBondContact O-CB 3.47Å; N1491-M1591 WeakPolarHBondContact O-CE 3.25Å; N1491-M1591 WeakPolarHBondContact O-CG 3.2Å; A1492-M1591 HydrophobicContact CB-CB 4.04Å; A1492-M1591 HydrophobicContact CB-CE 4.22Å; R1584-M1591 WeakPolarHBondContact CB-O 3.48Å; D1585-M1591 VanDerWaalsContact CG-N 3.34Å; D1585-M1591 PolarHBondContact OD1-N 2.73Å; D1585-M1591 WeakPolarHBondContact OD2-CA 3.49Å; D1585-M1591 WeakPolarHBondContact OD2-CB 3.39Å; D1585-M1591 PolarHBondContact OD2-N 3.41Å; D1585-M1591 VanDerWaalsContact OD2-N 3.08Å; P1589-M1591 PolarHBondContact O-N 3.19Å |
| 1592 | H | 82.3 | Confident | 82.6 | Confident | 115 Ų | 115 | 50 Ų | 50 | 53% | 0.532 | 26% | 0.256 | S | S | . | . | trans | -167.8 | 150.3 | 174.3 | 57 | -73.2 | 0 | 0 | 0 | 110.8 | Y1582 V1583 R1584 | Y1582-H1592 HydrophobicContact CE2-CB 4.27Å; Y1582-H1592 AromaticContact CE2-CD2 3.73Å; V1583-H1592 CarbonylContact O-C 3.55Å; V1583-H1592 WeakPolarHBondContact O-CA 3.16Å; R1584-H1592 HydrophobicContact CB-CB 3.81Å | ||
| 1593 | A | 82.8 | Confident | 82.3 | Confident | 14 Ų | 14 | 47.3 Ų | 47.3 | 12% | 0.116 | 25% | 0.246 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -139.3 | 157.5 | 177.8 | 0 | 0 | 0 | 0 | 0 | 111.6 | A1492 V1583 R1595 | A1492-A1593 HydrophobicContact CB-CB 4.19Å; V1583-A1593 HydrophobicContact CG1-CB 4.47Å; V1583-A1593 PolarHBondContact N-O 3.33Å; V1583-A1593 PolarHBondContact O-N 2.7Å; A1593-R1595 HydrophobicContact CB-CG 4.16Å |
| 1594 | I | 80.5 | Confident | 81.7 | Confident | 86 Ų | 86 | 51.6 Ų | 51.6 | 44% | 0.441 | 27% | 0.265 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -98 | 116.4 | 158.9 | -60.3 | 177.7 | 0 | 0 | 0 | 106.4 | P1580 I1581 | P1580-I1594 HydrophobicContact CB-CG2 3.62Å; I1581-I1594 WeakPolarHBondContact O-CA 3.26Å |
| 1595 | R | 86.7 | Confident | 81.1 | Confident | 75 Ų | 75 | 49.1 Ų | 49.1 | 28% | 0.283 | 26% | 0.258 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.1 | 160 | 177.5 | -57.5 | -62.3 | -172.6 | -160.2 | 4.5 | 108.7 | A1492 P1493 L1495 I1581 V1583 A1593 | A1492-R1595 PolarHBondContact O-NH2 3.3Å; P1493-R1595 PolarHBondContact O-NE 2.91Å; P1493-R1595 PolarHBondContact O-NH2 2.83Å; L1495-R1595 HydrophobicContact CD1-CB 3.5Å; L1495-R1595 HydrophobicContact CD2-CB 4.43Å; L1495-R1595 HydrophobicContact CG-CB 3.57Å; L1495-R1595 HydrophobicContact CG-CG 4.18Å; I1581-R1595 PolarHBondContact N-O 2.96Å; I1581-R1595 PolarHBondContact O-N 3.3Å; V1583-R1595 HydrophobicContact CG1-CB 4.44Å; V1583-R1595 HydrophobicContact CG1-CG 3.63Å; A1593-R1595 HydrophobicContact CB-CG 4.16Å |
| 1596 | F | 80.8 | Confident | 80.2 | Confident | 111 Ų | 111 | 53.5 Ų | 53.5 | 49% | 0.487 | 28% | 0.281 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.5 | 128.8 | -174.7 | -63.7 | -86.9 | 0 | 0 | 0 | 112.1 | Y1497 Y1578 P1580 | Y1497-F1596 PolarHBondContact OH-O 3.05Å; Y1578-F1596 HydrophobicContact CD1-CB 4.41Å; P1580-F1596 HydrophobicContact CB-CD1 4.12Å; P1580-F1596 HydrophobicContact CB-CE1 3.82Å |
| 1597 | L | 85.8 | Confident | 79.8 | Confident | 0 Ų | 0 | 51.2 Ų | 51.2 | 0% | 0 | 27% | 0.269 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -84 | 121.1 | 163.6 | 176.5 | 68 | 0 | 0 | 0 | 108.6 | Y1497 V1501 V1516 M1546 V1561 L1577 V1579 I1581 V1599 | Y1497-L1597 HydrophobicContact CD1-CD1 4.17Å; Y1497-L1597 HydrophobicContact CD2-CD1 3.66Å; Y1497-L1597 HydrophobicContact CE1-CD1 4.04Å; Y1497-L1597 HydrophobicContact CE2-CD1 3.53Å; Y1497-L1597 HydrophobicContact CG-CD1 3.98Å; Y1497-L1597 WeakPolarHBondContact OH-CA 3.38Å; V1501-L1597 HydrophobicContact CG2-CD1 4.09Å; V1516-L1597 HydrophobicContact CG2-CD1 3.86Å; M1546-L1597 HydrophobicContact CE-CD2 3.47Å; M1546-L1597 VanDerWaalsContact CE-CD2 3.47Å; V1561-L1597 HydrophobicContact CB-CD2 4.37Å; V1561-L1597 HydrophobicContact CG1-CD2 3.88Å; V1561-L1597 HydrophobicContact CG2-CD2 3.85Å; L1577-L1597 VanDerWaalsContact O-O 3.11Å; V1579-L1597 HydrophobicContact CB-CB 4.31Å; V1579-L1597 PolarHBondContact N-O 3.31Å; V1579-L1597 PolarHBondContact O-N 2.85Å; I1581-L1597 HydrophobicContact CD1-CB 3.77Å; I1581-L1597 HydrophobicContact CD1-CD2 4.41Å; L1597-V1599 HydrophobicContact CD2-CG2 4.13Å; L1597-V1599 HydrophobicContact CG-CG2 4.07Å |
| 1598 | E | 82.3 | Confident | 79.4 | Confident | 42 Ų | 42 | 54.6 Ų | 54.6 | 20% | 0.196 | 29% | 0.29 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -94 | 107.6 | -178.8 | -176.4 | 169.7 | -162.9 | 0 | 0 | 110.5 | Y1497 K1499 V1501 I1576 Y1578 | Y1497-E1598 PolarHBondContact OH-N 3.47Å; K1499-E1598 IonicContact NZ-OE2 3.78Å; V1501-E1598 WeakPolarHBondContact CB-O 3.32Å; V1501-E1598 PolarHBondContact N-O 2.68Å; I1576-E1598 HydrophobicContact CG2-CG 3.64Å; Y1578-E1598 HydrophobicContact CD1-CB 4.26Å; Y1578-E1598 HydrophobicContact CD1-CG 4.23Å; Y1578-E1598 HydrophobicContact CE1-CB 4.14Å; Y1578-E1598 HydrophobicContact CE1-CG 3.72Å; Y1578-E1598 PolarHBondContact OH-OE1 2.94Å |
| 1599 | V | 82.4 | Confident | 79.8 | Confident | 0 Ų | 0 | 49.4 Ų | 49.4 | 0% | 0 | 26% | 0.257 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.2 | 119.5 | 176.4 | -175.5 | 0 | 0 | 0 | 0 | 109.6 | V1501 V1503 L1513 F1544 L1577 V1579 L1597 | V1501-V1599 HydrophobicContact CB-CG2 4.39Å; V1501-V1599 HydrophobicContact CG1-CG2 4.35Å; V1501-V1599 CarbonylContact O-C 3.6Å; V1501-V1599 VanDerWaalsContact O-CA 3.29Å; V1501-V1599 WeakPolarHBondContact O-CA 3.44Å; V1501-V1599 WeakPolarHBondContact O-CG1 3.44Å; V1503-V1599 HydrophobicContact CG1-CG1 3.97Å; L1513-V1599 HydrophobicContact CD1-CG1 4.4Å; F1544-V1599 HydrophobicContact CE1-CB 4.46Å; F1544-V1599 HydrophobicContact CE1-CG1 4.02Å; F1544-V1599 HydrophobicContact CE1-CG2 4.12Å; F1544-V1599 HydrophobicContact CZ-CB 4.11Å; F1544-V1599 HydrophobicContact CZ-CG1 3.95Å; F1544-V1599 HydrophobicContact CZ-CG2 4.04Å; L1577-V1599 HydrophobicContact CB-CB 4.37Å; L1577-V1599 PolarHBondContact N-O 2.92Å; L1577-V1599 PolarHBondContact O-N 2.74Å; V1579-V1599 HydrophobicContact CG2-CG2 4.44Å; L1597-V1599 HydrophobicContact CD2-CG2 4.13Å; L1597-V1599 HydrophobicContact CG-CG2 4.07Å |
| 1600 | V | 82.3 | Confident | 80 | Confident | 18 Ų | 18 | 48.4 Ų | 48.4 | 11% | 0.109 | 25% | 0.25 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -97.3 | 127.8 | -179.4 | -179.1 | 0 | 0 | 0 | 0 | 109.3 | P1500 V1501 I1502 V1503 I1576 G1602 W1641 | P1500-V1600 HydrophobicContact CB-CG2 3.76Å; V1501-V1600 PolarHBondContact O-N 2.78Å; I1502-V1600 WeakPolarHBondContact CA-O 3.4Å; I1502-V1600 HydrophobicContact CG1-CB 4.39Å; V1503-V1600 PolarHBondContact N-O 3.19Å; I1576-V1600 HydrophobicContact CG1-CG2 4.27Å; I1576-V1600 HydrophobicContact CG2-CG2 4.39Å; V1600-G1602 PolarHBondContact O-N 2.67Å; V1600-W1641 HydrophobicContact CG1-CZ2 4.44Å |
| 1601 | V | 78.6 | Confident | 80.2 | Confident | 3 Ų | 3 | 49.3 Ų | 49.3 | 2% | 0.018 | 25% | 0.25 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.4 | 104.2 | 173.9 | -174.1 | 0 | 0 | 0 | 0 | 108.1 | V1503 E1505 F1567 R1569 K1575 L1577 | V1503-V1601 HydrophobicContact CG1-CG2 4.26Å; V1503-V1601 CarbonylContact O-C 3.55Å; V1503-V1601 WeakPolarHBondContact O-CA 3.24Å; E1505-V1601 HydrophobicContact CB-CG1 3.99Å; F1567-V1601 HydrophobicContact CB-CG1 3.78Å; F1567-V1601 HydrophobicContact CB-CG2 4.18Å; F1567-V1601 HydrophobicContact CD1-CG2 4.28Å; F1567-V1601 HydrophobicContact CG-CG2 4.3Å; R1569-V1601 HydrophobicContact CB-CG1 3.94Å; R1569-V1601 WeakPolarHBondContact CD-O 3.25Å; R1569-V1601 PolarHBondContact NH1-O 2.86Å; K1575-V1601 PolarHBondContact O-N 3.32Å; L1577-V1601 HydrophobicContact CD1-CG2 3.96Å; L1577-V1601 HydrophobicContact CG-CG2 4.27Å |
| 1602 | G | 78.1 | Confident | 80.2 | Confident | 0 Ų | 0 | 46.6 Ų | 46.6 | 0% | 0 | 24% | 0.239 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -76.3 | 142.2 | -174.4 | 0 | 0 | 0 | 0 | 0 | 114.2 | V1503 E1505 V1600 W1641 | V1503-G1602 PolarHBondContact O-N 2.83Å; E1505-G1602 WeakPolarHBondContact CB-O 3.48Å; E1505-G1602 WeakPolarHBondContact CG-O 3.28Å; E1505-G1602 PolarHBondContact N-O 2.94Å; V1600-G1602 PolarHBondContact O-N 2.67Å; G1602-W1641 VanDerWaalsContact CA-CH2 3.44Å |
| 1603 | D | 79.7 | Confident | 80.2 | Confident | 8 Ų | 8 | 46 Ų | 46 | 4% | 0.043 | 24% | 0.237 | C | C | . | . | trans | -81.2 | 165.9 | -167.2 | -162.1 | 23.3 | 0 | 0 | 0 | 116.5 | M1504 R1569 D1640 W1641 | M1504-D1603 WeakPolarHBondContact CE-O 3.15Å; R1569-D1603 WeakPolarHBondContact CD-OD1 3.46Å; R1569-D1603 IonicContact NE-OD1 3.12Å; D1603-D1640 VanDerWaalsContact OD2-C 3.3Å; D1603-D1640 PolarHBondContact OD2-N 2.99Å; D1603-W1641 HydrophobicContact CB-CB 3.91Å; D1603-W1641 HydrophobicContact CB-CD2 3.93Å; D1603-W1641 HydrophobicContact CB-CE3 3.82Å; D1603-W1641 HydrophobicContact CB-CG 3.98Å; D1603-W1641 PolarHBondContact OD2-N 2.78Å | ||
| 1604 | K | 77.4 | Confident | 80.4 | Confident | 91 Ų | 91 | 45.5 Ų | 45.5 | 40% | 0.396 | 23% | 0.232 | S | C | . | . | trans | -146.4 | 141.6 | 153.1 | -65 | -176.5 | -152.5 | 61.9 | 0 | 111.3 | E1505 D1606 | E1505-K1604 HydrophobicContact CG-CG 4.49Å; E1505-K1604 PolarHBondContact O-NZ 2.81Å; E1505-K1604 WeakPolarHBondContact OE1-CB 3.44Å; E1505-K1604 VanDerWaalsContact OE1-CD 3.31Å; E1505-K1604 WeakPolarHBondContact OE1-CD 3.19Å; E1505-K1604 WeakPolarHBondContact OE1-CE 3.41Å; E1505-K1604 WeakPolarHBondContact OE1-CG 3.48Å; E1505-K1604 IonicContact OE1-NZ 3.84Å; E1505-K1604 PolarHBondContact OE1-NZ 2.86Å; K1604-D1606 WeakPolarHBondContact O-CB 3.31Å; K1604-D1606 PolarHBondContact O-N 2.87Å; K1604-D1606 VanDerWaalsContact O-N 3.11Å | ||
| 1605 | N | 76 | Confident | 80.6 | Confident | 30 Ų | 30 | 44.2 Ų | 44.2 | 16% | 0.16 | 23% | 0.228 | C | C | . | . | S | Bend | trans | -57 | 106.6 | 172.5 | -173.1 | -30.9 | 0 | 0 | 0 | 112.1 | D1639 D1642 D1645 D1684 V1686 R1687 | N1605-D1639 VanDerWaalsContact CA-OD2 3.3Å; N1605-D1639 WeakPolarHBondContact CA-OD2 3.42Å; N1605-D1642 HydrophobicContact CB-CB 3.95Å; N1605-D1645 PolarHBondContact ND2-OD2 3.17Å; N1605-D1684 PolarHBondContact ND2-OD2 3.05Å; N1605-V1686 HydrophobicContact CB-CG1 4.39Å; N1605-R1687 WeakPolarHBondContact OD1-CD 3.13Å; N1605-R1687 WeakPolarHBondContact OD1-CG 3.48Å |
| 1606 | D | 72.1 | Confident | 80.7 | Confident | 91 Ų | 91 | 40.6 Ų | 40.6 | 49% | 0.487 | 22% | 0.215 | S | C | . | . | trans | -145.8 | -30.1 | -163.9 | 166.2 | -80.8 | 0 | 0 | 0 | 112.3 | K1604 D1639 R1687 | K1604-D1606 WeakPolarHBondContact O-CB 3.31Å; K1604-D1606 PolarHBondContact O-N 2.87Å; K1604-D1606 VanDerWaalsContact O-N 3.11Å; D1606-D1639 PolarHBondContact N-OD2 3.19Å; D1606-R1687 PolarHBondContact O-NH1 3.09Å; D1606-R1687 PolarHBondContact O-NH2 2.7Å | ||
| 1607 | N | 75.5 | Confident | 81.1 | Confident | 33 Ų | 33 | 36.5 Ų | 36.5 | 18% | 0.176 | 20% | 0.197 | C | C | . | . | S | Bend | trans | -100.8 | 159.2 | 178.4 | -64.7 | -87.2 | 0 | 0 | 0 | 114.1 | E1570 L1638 D1639 R1687 | E1570-N1607 WeakPolarHBondContact CG-ND2 3.28Å; N1607-L1638 HydrophobicContact CB-CB 4.13Å; N1607-L1638 HydrophobicContact CB-CD1 4.39Å; N1607-D1639 VanDerWaalsContact CB-OD1 3.22Å; N1607-D1639 WeakPolarHBondContact CB-OD1 3.39Å; N1607-D1639 PolarHBondContact N-OD1 2.96Å; N1607-D1639 PolarHBondContact N-OD2 3.02Å; N1607-D1639 PolarHBondContact ND2-OD1 2.73Å; N1607-R1687 WeakPolarHBondContact O-CD 3.47Å; N1607-R1687 PolarHBondContact O-NE 3.19Å; N1607-R1687 PolarHBondContact O-NH1 2.86Å; N1607-R1687 PolarHBondContact O-NH2 3.21Å |
| 1608 | P | 74.5 | Confident | 81.3 | Confident | 73 Ų | 73 | 36.5 Ų | 36.5 | 47% | 0.474 | 20% | 0.197 | S | C | . | . | P | Polyproline II helix | trans | -94.6 | 136.8 | -176.9 | 34.7 | -32.5 | 0 | 0 | 0 | 114.6 | E1689 | P1608-E1689 WeakPolarHBondContact CA-OE1 3.39Š|
| 1609 | M | 81.5 | Confident | 81.7 | Confident | 14 Ų | 14 | 34.5 Ų | 34.5 | 7% | 0.069 | 19% | 0.188 | C | C | . | . | P | Polyproline II helix | trans | -81.2 | 157.1 | -179.5 | 76.2 | 164.2 | 167 | 0 | 0 | 114.4 | V1635 D1637 V1682 D1684 E1689 A1691 | M1609-V1635 HydrophobicContact SD-CG2 4.34Å; M1609-D1637 HydrophobicContact CB-CB 4.3Å; M1609-D1637 WeakPolarHBondContact CB-OD2 3.48Å; M1609-V1682 HydrophobicContact CE-CG1 4.36Å; M1609-V1682 WeakPolarHBondContact CE-O 3.21Å; M1609-V1682 HydrophobicContact SD-CG1 4.15Å; M1609-D1684 HydrophobicContact CE-CB 3.89Å; M1609-D1684 VanDerWaalsContact CE-N 3.28Å; M1609-E1689 HydrophobicContact CE-CG 4.26Å; M1609-E1689 WeakPolarHBondContact CE-O 3.3Å; M1609-E1689 HydrophobicContact CG-CG 4.29Å; M1609-E1689 PolarHBondContact N-OE1 2.94Å; M1609-A1691 HydrophobicContact CE-CB 4Å; M1609-A1691 HydrophobicContact CG-CB 3.85Å; M1609-A1691 HydrophobicContact SD-CB 3.72Å |
| 1610 | T | 79.8 | Confident | 81.8 | Confident | 77 Ų | 77 | 36 Ų | 36 | 47% | 0.472 | 19% | 0.193 | S | C | . | . | B | Isolated β-bridge | trans | -141.5 | 161.8 | 179.7 | 58.7 | 0 | 0 | 0 | 0 | 114 | V1635 Q1636 | T1610-V1635 WeakPolarHBondContact O-CB 3.35Å; T1610-Q1636 PolarHBondContact N-O 2.93Å; T1610-Q1636 PolarHBondContact O-N 3.4Å; T1610-Q1636 WeakPolarHBondContact OG1-CB 3.42Å; T1610-Q1636 PolarHBondContact OG1-O 2.85Å |
| 1611 | D | 82.7 | Confident | 81.7 | Confident | 90 Ų | 90 | 36.4 Ų | 36.4 | 48% | 0.481 | 20% | 0.196 | S | C | . | . | trans | -53.4 | 136.8 | -179.9 | -76.9 | 15.4 | 0 | 0 | 0 | 112.7 | A1691 K1692 | D1611-A1691 WeakPolarHBondContact OD1-CA 3.34Å; D1611-K1692 CarbonylContact C-O 3.47Å; D1611-K1692 VanDerWaalsContact CA-O 3.23Å; D1611-K1692 WeakPolarHBondContact CA-O 3.48Å; D1611-K1692 PolarHBondContact OD1-N 2.85Å | ||
| 1612 | G | 82 | Confident | 81.3 | Confident | 8 Ų | 8 | 41.1 Ų | 41.1 | 8% | 0.082 | 22% | 0.218 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.6 | 167.5 | -178 | 0 | 0 | 0 | 0 | 0 | 114.4 | Y1634 K1692 G1693 R1694 | G1612-Y1634 CarbonylContact C-O 3.48Å; G1612-Y1634 WeakPolarHBondContact CA-O 3.29Å; G1612-K1692 PolarHBondContact N-O 3.08Å; G1612-G1693 WeakPolarHBondContact O-CA 3.43Å; G1612-R1694 PolarHBondContact O-N 2.86Å |
| 1613 | E | 83.7 | Confident | 80.8 | Confident | 103 Ų | 103 | 49.4 Ų | 49.4 | 48% | 0.481 | 25% | 0.254 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -146.2 | 136.1 | 176.9 | -171.5 | 167.7 | 132.6 | 0 | 0 | 111.1 | R1694 | E1613-R1694 CarbonylContact C-O 3.6Å; E1613-R1694 VanDerWaalsContact CA-O 3.28Å; E1613-R1694 WeakPolarHBondContact CA-O 3.48Å; E1613-R1694 HydrophobicContact CB-CB 4.41Å; E1613-R1694 HydrophobicContact CG-CB 4Å; E1613-R1694 IonicContact OE2-CZ 3.49Å; E1613-R1694 IonicContact OE2-NE 3.48Å; E1613-R1694 PolarHBondContact OE2-NE 2.97Å; E1613-R1694 IonicContact OE2-NH2 3.85Å; E1613-R1694 PolarHBondContact OE2-NH2 3.29Å |
| 1614 | A | 85.6 | Confident | 80.4 | Confident | 3 Ų | 3 | 50 Ų | 50 | 3% | 0.025 | 26% | 0.257 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -142 | 162.8 | 178.7 | 0 | 0 | 0 | 0 | 0 | 113.1 | R1694 V1695 K1696 R1844 | A1614-R1694 PolarHBondContact N-O 2.96Å; A1614-V1695 VanDerWaalsContact O-CA 3.31Å; A1614-V1695 WeakPolarHBondContact O-CA 3.41Å; A1614-K1696 PolarHBondContact O-N 2.74Å; A1614-R1844 CarbonylContact C-O 3.53Å; A1614-R1844 VanDerWaalsContact CA-O 3.32Å; A1614-R1844 WeakPolarHBondContact CA-O 3.17Å |
| 1615 | V | 84.5 | Confident | 80.1 | Confident | 58 Ų | 58 | 51.3 Ų | 51.3 | 35% | 0.352 | 27% | 0.268 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.7 | 131 | 173.8 | -175.2 | 0 | 0 | 0 | 0 | 109.2 | K1696 I1698 R1844 S1845 V1846 | V1615-K1696 CarbonylContact C-O 3.48Å; V1615-K1696 WeakPolarHBondContact CA-O 3.36Å; V1615-K1696 HydrophobicContact CG1-CB 4.38Å; V1615-K1696 HydrophobicContact CG2-CB 4.29Å; V1615-I1698 HydrophobicContact CG1-CD1 4.24Å; V1615-R1844 PolarHBondContact N-O 3.08Å; V1615-S1845 CarbonylContact O-C 3.08Å; V1615-S1845 WeakPolarHBondContact O-CA 3.22Å; V1615-V1846 PolarHBondContact O-N 3.28Å |
| 1616 | I | 89.9 | Confident | 80.2 | Confident | 0 Ų | 0 | 54.7 Ų | 54.7 | 0% | 0 | 28% | 0.282 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.6 | 119.5 | 176.4 | -52.1 | -177 | 0 | 0 | 0 | 109.1 | V1618 I1630 I1665 V1695 K1696 I1697 I1698 V1846 | I1616-V1618 HydrophobicContact CG2-CG2 3.7Å; I1616-I1630 HydrophobicContact CD1-CD1 4.38Å; I1616-I1630 HydrophobicContact CD1-CG1 4.44Å; I1616-I1630 HydrophobicContact CG2-CB 4.22Å; I1616-I1630 HydrophobicContact CG2-CD1 4.26Å; I1616-I1630 HydrophobicContact CG2-CG1 4.48Å; I1616-I1630 WeakPolarHBondContact CG2-O 3.16Å; I1616-I1665 HydrophobicContact CD1-CD1 3.65Å; I1616-V1695 HydrophobicContact CD1-CG1 3.6Å; I1616-V1695 HydrophobicContact CG1-CG1 3.62Å; I1616-K1696 PolarHBondContact N-O 2.99Å; I1616-I1697 HydrophobicContact CB-CG1 4.38Å; I1616-I1697 HydrophobicContact CB-CG2 4.41Å; I1616-I1697 HydrophobicContact CD1-CG1 4.42Å; I1616-I1697 CarbonylContact O-C 3.59Å; I1616-I1697 WeakPolarHBondContact O-CA 3.23Å; I1616-I1698 PolarHBondContact O-N 2.81Å; I1616-V1846 WeakPolarHBondContact CA-O 3.39Å; I1616-V1846 HydrophobicContact CB-CB 4.36Å; I1616-V1846 HydrophobicContact CG1-CB 4Å; I1616-V1846 HydrophobicContact CG1-CG2 4.19Å; I1616-V1846 HydrophobicContact CG2-CB 4.22Å; I1616-V1846 HydrophobicContact CG2-CG1 4.36Å |
| 1617 | Q | 88.5 | Confident | 80.5 | Confident | 24 Ų | 24 | 53.2 Ų | 53.2 | 11% | 0.112 | 27% | 0.274 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.2 | 129 | 166 | -177.4 | 73.6 | 31.9 | 0 | 0 | 108.5 | Y1619 E1700 V1846 V1847 A1848 | Q1617-Y1619 HydrophobicContact CG-CD2 4.36Å; Q1617-Y1619 HydrophobicContact CG-CE2 3.69Å; Q1617-E1700 PolarHBondContact NE2-OE1 3.34Å; Q1617-V1846 PolarHBondContact N-O 3.41Å; Q1617-V1847 HydrophobicContact CB-CG2 4.42Å; Q1617-V1847 CarbonylContact O-C 3.25Å; Q1617-V1847 WeakPolarHBondContact O-CA 3.3Å; Q1617-A1848 PolarHBondContact O-N 2.76Å |
| 1618 | V | 90.2 | Very high | 81.1 | Confident | 0 Ų | 0 | 52.1 Ų | 52.1 | 0% | 0 | 27% | 0.268 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.2 | 126.9 | -178.4 | -170.8 | 0 | 0 | 0 | 0 | 109.5 | I1616 I1630 M1667 I1697 I1698 V1699 E1700 L1837 A1848 | I1616-V1618 HydrophobicContact CG2-CG2 3.7Å; V1618-I1630 HydrophobicContact CB-CG2 4.5Å; V1618-I1630 HydrophobicContact CG1-CG2 3.75Å; V1618-I1630 HydrophobicContact CG2-CB 3.87Å; V1618-I1630 HydrophobicContact CG2-CD1 3.83Å; V1618-I1630 HydrophobicContact CG2-CG1 4.48Å; V1618-I1630 HydrophobicContact CG2-CG2 3.87Å; V1618-M1667 HydrophobicContact CG1-CE 3.71Å; V1618-M1667 HydrophobicContact CG1-SD 3.93Å; V1618-I1697 HydrophobicContact CG2-CG2 3.93Å; V1618-I1698 PolarHBondContact N-O 2.82Å; V1618-V1699 HydrophobicContact CB-CG2 4.32Å; V1618-V1699 HydrophobicContact CG2-CG2 4.49Å; V1618-E1700 PolarHBondContact O-N 2.7Å; V1618-L1837 HydrophobicContact CG1-CD1 3.9Å; V1618-A1848 WeakPolarHBondContact CA-O 3.36Å; V1618-A1848 HydrophobicContact CB-CB 4.44Å; V1618-A1848 HydrophobicContact CG1-CB 4.15Å; V1618-A1848 HydrophobicContact CG2-CB 4.24Å |
| 1619 | Y | 90.1 | Very high | 81.6 | Confident | 1 Ų | 1 | 51.4 Ų | 51.4 | 0% | 0.004 | 26% | 0.259 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.7 | 110.8 | 171.6 | -61 | -80.1 | 0 | 0 | 0 | 108.9 | Q1617 E1700 I1702 R1737 Q1752 V1753 V1847 A1848 L1850 | Q1617-Y1619 HydrophobicContact CG-CD2 4.36Å; Q1617-Y1619 HydrophobicContact CG-CE2 3.69Å; Y1619-E1700 HydrophobicContact CD1-CB 3.97Å; Y1619-E1700 HydrophobicContact CE1-CB 4.28Å; Y1619-E1700 WeakPolarHBondContact CE1-OE2 3.34Å; Y1619-I1702 HydrophobicContact CD1-CD1 3.95Å; Y1619-I1702 HydrophobicContact CD1-CG1 4.43Å; Y1619-R1737 PolarHBondContact OH-NH2 3.15Å; Y1619-Q1752 HydrophobicContact CD1-CB 4.47Å; Y1619-Q1752 HydrophobicContact CE1-CB 3.91Å; Y1619-Q1752 HydrophobicContact CE1-CG 4.17Å; Y1619-V1753 WeakPolarHBondContact CE2-O 3.45Å; Y1619-V1847 HydrophobicContact CD2-CG1 4.37Å; Y1619-V1847 HydrophobicContact CE2-CG1 4.16Å; Y1619-A1848 PolarHBondContact N-O 3.06Å; Y1619-L1850 WeakPolarHBondContact O-CD2 3.42Å |
| 1620 | R | 84.6 | Confident | 82 | Confident | 31 Ų | 31 | 50.8 Ų | 50.8 | 12% | 0.117 | 26% | 0.255 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.1 | 145.2 | -178.4 | 82.5 | -173.7 | -162.7 | 108 | 11.9 | 111.3 | M1667 T1671 V1699 E1700 E1701 I1702 | R1620-M1667 HydrophobicContact CB-CE 4.12Å; R1620-T1671 PolarHBondContact NH1-O 3.21Å; R1620-V1699 HydrophobicContact CG-CG1 4.46Å; R1620-E1700 WeakPolarHBondContact CG-O 3.28Å; R1620-E1700 PolarHBondContact N-O 2.86Å; R1620-E1701 HydrophobicContact CG-CB 4.17Å; R1620-E1701 HydrophobicContact CG-CG 4.27Å; R1620-E1701 IonicContact CZ-OE2 2.84Å; R1620-E1701 IonicContact NE-OE2 2.7Å; R1620-E1701 PolarHBondContact NE-OE2 3.19Å; R1620-E1701 VanDerWaalsContact NH2-CD 3.35Å; R1620-E1701 IonicContact NH2-OE1 2.71Å; R1620-E1701 IonicContact NH2-OE2 3.13Å; R1620-E1701 PolarHBondContact NH2-OE2 3.19Å; R1620-E1701 WeakPolarHBondContact O-CA 3.36Å; R1620-I1702 PolarHBondContact O-N 3.18Å |
| 1621 | P | 80.7 | Confident | 82.3 | Confident | 26 Ų | 26 | 47.2 Ų | 47.2 | 17% | 0.169 | 23% | 0.234 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -73.1 | 159.9 | 167.3 | 31.9 | -33.2 | 0 | 0 | 0 | 111.2 | K1623 L1624 L1850 | P1621-K1623 VanDerWaalsContact C-N 3.27Å; P1621-K1623 WeakPolarHBondContact CG-O 3.32Å; P1621-K1623 PolarHBondContact O-N 3.47Å; P1621-L1624 HydrophobicContact CG-CB 4.31Å; P1621-L1624 HydrophobicContact CG-CD1 3.96Å; P1621-L1850 HydrophobicContact CB-CD2 4.22Å; P1621-L1850 HydrophobicContact CG-CD2 4.23Å |
| 1622 | Q | 69.9 | Low | 82.4 | Confident | 103 Ų | 103 | 46.5 Ų | 46.5 | 48% | 0.481 | 23% | 0.225 | S | C | . | . | S | Bend | trans | -51.7 | -38.9 | 178.2 | -105 | 176.5 | -31.1 | 0 | 0 | 114.6 | E1701 I1702 N1703 | Q1622-E1701 HydrophobicContact CG-CG 4.5Å; Q1622-E1701 VanDerWaalsContact CG-OE1 3.3Å; Q1622-E1701 WeakPolarHBondContact CG-OE1 3.44Å; Q1622-I1702 PolarHBondContact N-O 2.93Å; Q1622-N1703 HydrophobicContact CG-CB 4.05Å |
| 1623 | K | 68 | Low | 82.4 | Confident | 174 Ų | 174 | 46.3 Ų | 46.3 | 76% | 0.757 | 22% | 0.222 | S | C | * | . | S | Bend | trans | -118.9 | 125.4 | 167.4 | -74.2 | -177.6 | 177.2 | 178.8 | 0 | 108.2 | P1621 | P1621-K1623 VanDerWaalsContact C-N 3.27Å; P1621-K1623 WeakPolarHBondContact CG-O 3.32Å; P1621-K1623 PolarHBondContact O-N 3.47Å |
| 1624 | L | 70.8 | Confident | 82.4 | Confident | 21 Ų | 21 | 43 Ų | 43 | 11% | 0.11 | 21% | 0.205 | C | C | . | . | trans | -116.5 | 111.2 | 174.4 | -176.7 | 68.4 | 0 | 0 | 0 | 108.5 | P1621 K1626 V1628 M1667 S1669 | P1621-L1624 HydrophobicContact CG-CB 4.31Å; P1621-L1624 HydrophobicContact CG-CD1 3.96Å; L1624-K1626 VanDerWaalsContact C-N 3.3Å; L1624-K1626 WeakPolarHBondContact CG-O 3.19Å; L1624-K1626 PolarHBondContact O-N 2.82Å; L1624-V1628 HydrophobicContact CD1-CG1 3.88Å; L1624-V1628 HydrophobicContact CD2-CG1 4.25Å; L1624-V1628 HydrophobicContact CD2-CG2 3.79Å; L1624-V1628 HydrophobicContact CG-CG1 4.37Å; L1624-M1667 HydrophobicContact CD2-CE 3.84Å; L1624-S1669 WeakPolarHBondContact O-CB 3.36Å | ||
| 1625 | N | 70.9 | Confident | 82.2 | Confident | 117 Ų | 117 | 43.6 Ų | 43.6 | 63% | 0.626 | 21% | 0.208 | S | C | * | . | trans | -75.6 | -14.1 | -165.3 | -61.4 | -37 | 0 | 0 | 0 | 114.6 | D1835 | N1625-D1835 PolarHBondContact ND2-OD1 3.16Š| ||
| 1626 | K | 78.3 | Confident | 81.8 | Confident | 101 Ų | 101 | 43.9 Ų | 43.9 | 44% | 0.439 | 21% | 0.206 | S | C | . | . | S | Bend | trans | -151.9 | 161.7 | -175.3 | 61 | -157.6 | 175.7 | -150.9 | 0 | 112 | L1624 V1628 D1835 | L1624-K1626 VanDerWaalsContact C-N 3.3Å; L1624-K1626 WeakPolarHBondContact CG-O 3.19Å; L1624-K1626 PolarHBondContact O-N 2.82Å; K1626-V1628 HydrophobicContact CG-CG1 4.46Å; K1626-D1835 WeakPolarHBondContact CE-O 3.21Å; K1626-D1835 PolarHBondContact NZ-O 3.44Å; K1626-D1835 VanDerWaalsContact NZ-O 3.1Å; K1626-D1835 IonicContact NZ-OD2 3.57Å; K1626-D1835 PolarHBondContact NZ-OD2 3.27Å |
| 1627 | D | 78.9 | Confident | 81.2 | Confident | 61 Ų | 61 | 45.1 Ų | 45.1 | 33% | 0.326 | 21% | 0.212 | S | C | . | . | trans | -66.5 | 130.3 | 171.7 | -67.6 | -3.6 | 0 | 0 | 0 | 109.4 | R1658 M1667 T1668 S1669 | D1627-R1658 IonicContact OD2-CZ 3.85Å; D1627-R1658 IonicContact OD2-NH1 2.78Å; D1627-R1658 PolarHBondContact OD2-NH1 2.92Å; D1627-R1658 IonicContact OD2-NH2 2.69Å; D1627-M1667 WeakPolarHBondContact CA-O 3.32Å; D1627-T1668 WeakPolarHBondContact OD1-CA 3.35Å; D1627-S1669 PolarHBondContact OD1-N 2.85Å | ||
| 1628 | V | 88.2 | Confident | 80.5 | Confident | 9 Ų | 9 | 49.2 Ų | 49.2 | 6% | 0.055 | 24% | 0.235 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.6 | 145.6 | -173.6 | -65.8 | 0 | 0 | 0 | 0 | 112.4 | L1624 K1626 I1630 H1666 M1667 L1837 | L1624-V1628 HydrophobicContact CD1-CG1 3.88Å; L1624-V1628 HydrophobicContact CD2-CG1 4.25Å; L1624-V1628 HydrophobicContact CD2-CG2 3.79Å; L1624-V1628 HydrophobicContact CG-CG1 4.37Å; K1626-V1628 HydrophobicContact CG-CG1 4.46Å; V1628-I1630 HydrophobicContact CG2-CG2 4.15Å; V1628-H1666 CarbonylContact O-C 3.52Å; V1628-H1666 WeakPolarHBondContact O-CA 3.38Å; V1628-M1667 HydrophobicContact CG2-CB 4.45Å; V1628-M1667 HydrophobicContact CG2-CE 4.01Å; V1628-M1667 PolarHBondContact N-O 2.85Å; V1628-M1667 VanDerWaalsContact N-O 3.07Å; V1628-M1667 PolarHBondContact O-N 2.87Å; V1628-L1837 HydrophobicContact CB-CD1 4.38Å; V1628-L1837 HydrophobicContact CB-CG 4.39Å; V1628-L1837 HydrophobicContact CG2-CD1 3.6Å; V1628-L1837 HydrophobicContact CG2-CG 4.08Å |
| 1629 | E | 86.1 | Confident | 79.7 | Confident | 59 Ų | 59 | 49.6 Ų | 49.6 | 28% | 0.276 | 24% | 0.237 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -69 | 135.9 | 167.3 | -173.8 | 172.6 | 172.5 | 0 | 0 | 110.3 | K1664 I1665 V1839 | E1629-K1664 HydrophobicContact CG-CB 4.49Å; E1629-K1664 WeakPolarHBondContact OE1-CD 3.43Å; E1629-K1664 WeakPolarHBondContact OE1-CE 3.34Å; E1629-K1664 VanDerWaalsContact OE1-CG 3.32Å; E1629-K1664 WeakPolarHBondContact OE1-CG 3.31Å; E1629-K1664 IonicContact OE1-NZ 3.35Å; E1629-K1664 PolarHBondContact OE1-NZ 2.86Å; E1629-K1664 WeakPolarHBondContact OE2-CD 3.21Å; E1629-K1664 WeakPolarHBondContact OE2-CE 3.47Å; E1629-K1664 IonicContact OE2-NZ 2.8Å; E1629-K1664 PolarHBondContact OE2-NZ 2.82Å; E1629-I1665 WeakPolarHBondContact CA-O 3.28Å; E1629-V1839 WeakPolarHBondContact O-CG2 3.3Å |
| 1630 | I | 89.2 | Confident | 78.5 | Confident | 0 Ų | 0 | 52.9 Ų | 52.9 | 0% | 0 | 25% | 0.254 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.5 | -5.5 | -179.8 | 57.9 | 160.3 | 0 | 0 | 0 | 113.4 | I1616 V1618 V1628 F1657 I1665 M1667 I1697 L1837 A1848 | I1616-I1630 HydrophobicContact CD1-CD1 4.38Å; I1616-I1630 HydrophobicContact CD1-CG1 4.44Å; I1616-I1630 HydrophobicContact CG2-CB 4.22Å; I1616-I1630 HydrophobicContact CG2-CD1 4.26Å; I1616-I1630 HydrophobicContact CG2-CG1 4.48Å; I1616-I1630 WeakPolarHBondContact CG2-O 3.16Å; V1618-I1630 HydrophobicContact CB-CG2 4.5Å; V1618-I1630 HydrophobicContact CG1-CG2 3.75Å; V1618-I1630 HydrophobicContact CG2-CB 3.87Å; V1618-I1630 HydrophobicContact CG2-CD1 3.83Å; V1618-I1630 HydrophobicContact CG2-CG1 4.48Å; V1618-I1630 HydrophobicContact CG2-CG2 3.87Å; V1628-I1630 HydrophobicContact CG2-CG2 4.15Å; I1630-F1657 HydrophobicContact CD1-CD1 3.85Å; I1630-F1657 HydrophobicContact CD1-CE1 3.76Å; I1630-I1665 HydrophobicContact CD1-CG2 3.83Å; I1630-I1665 HydrophobicContact CG1-CB 4.17Å; I1630-I1665 HydrophobicContact CG1-CG2 3.78Å; I1630-I1665 WeakPolarHBondContact CG1-O 3.16Å; I1630-I1665 PolarHBondContact N-O 2.84Å; I1630-M1667 HydrophobicContact CD1-CB 4.19Å; I1630-M1667 HydrophobicContact CG1-CB 4.4Å; I1630-M1667 HydrophobicContact CG2-CB 3.77Å; I1630-M1667 HydrophobicContact CG2-CE 4.46Å; I1630-I1697 HydrophobicContact CD1-CD1 4.04Å; I1630-I1697 HydrophobicContact CD1-CG1 4.4Å; I1630-I1697 HydrophobicContact CD1-CG2 3.64Å; I1630-L1837 HydrophobicContact CG2-CD1 4.17Å; I1630-A1848 HydrophobicContact CB-CB 3.92Å; I1630-A1848 HydrophobicContact CG2-CB 4.06Å |
| 1631 | G | 85.6 | Confident | 78 | Confident | 2 Ų | 2 | 57.9 Ų | 57.9 | 2% | 0.021 | 27% | 0.273 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 158.1 | -168.7 | -177.9 | 0 | 0 | 0 | 0 | 0 | 113 | I1665 | G1631-I1665 PolarHBondContact O-N 3.27Å |
| 1632 | R | 84.5 | Confident | 77.7 | Confident | 75 Ų | 75 | 57.1 Ų | 57.1 | 28% | 0.283 | 27% | 0.268 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.4 | 147.2 | 176.4 | -160.4 | -175.9 | -172.1 | -165.3 | 1.7 | 110.1 | Y1634 A1643 H1662 G1663 | R1632-Y1634 PolarHBondContact O-N 2.78Å; R1632-A1643 PolarHBondContact NH2-O 2.79Å; R1632-H1662 VanDerWaalsContact CZ-O 3.28Å; R1632-H1662 PolarHBondContact NE-O 2.79Å; R1632-H1662 PolarHBondContact NH2-O 3.07Å; R1632-G1663 CarbonylContact C-O 3.54Å; R1632-G1663 WeakPolarHBondContact CA-O 3.31Å; R1632-G1663 WeakPolarHBondContact CG-O 3.35Å |
| 1633 | V | 83.4 | Confident | 77.6 | Confident | 4 Ų | 4 | 54 Ų | 54 | 2% | 0.024 | 26% | 0.259 | C | S | . | . | trans | -59.9 | 119.9 | 165.8 | 173.3 | 0 | 0 | 0 | 0 | 108.8 | F1648 V1659 G1663 I1665 A1680 V1682 V1695 | V1633-F1648 HydrophobicContact CB-CD1 3.72Å; V1633-F1648 HydrophobicContact CB-CE1 3.97Å; V1633-F1648 HydrophobicContact CG1-CD1 3.82Å; V1633-F1648 HydrophobicContact CG1-CE1 4.06Å; V1633-F1648 WeakPolarHBondContact O-CE1 3.05Å; V1633-V1659 HydrophobicContact CG2-CG1 3.72Å; V1633-V1659 HydrophobicContact CG2-CG2 4.04Å; V1633-G1663 PolarHBondContact N-O 2.81Å; V1633-I1665 HydrophobicContact CG2-CD1 3.88Å; V1633-I1665 HydrophobicContact CG2-CG1 3.9Å; V1633-A1680 HydrophobicContact CB-CB 4.49Å; V1633-A1680 HydrophobicContact CG1-CB 3.89Å; V1633-A1680 HydrophobicContact CG2-CB 3.82Å; V1633-V1682 HydrophobicContact CG1-CG2 4.04Å; V1633-V1695 HydrophobicContact CG2-CG2 4.5Å | ||
| 1634 | Y | 81.9 | Confident | 77.9 | Confident | 34 Ų | 34 | 54 Ų | 54 | 13% | 0.133 | 26% | 0.26 | C | S | . | . | trans | -89.5 | 130.1 | 179.4 | -178.2 | -109.3 | 0 | 0 | 0 | 111.5 | G1612 R1632 Q1636 G1693 N1843 R1844 | G1612-Y1634 CarbonylContact C-O 3.48Å; G1612-Y1634 WeakPolarHBondContact CA-O 3.29Å; R1632-Y1634 PolarHBondContact O-N 2.78Å; Y1634-Q1636 PolarHBondContact OH-NE2 3.06Å; Y1634-Q1636 PolarHBondContact OH-OE1 3.16Å; Y1634-G1693 WeakPolarHBondContact O-CA 3.39Å; Y1634-N1843 HydrophobicContact CD2-CB 4.37Å; Y1634-N1843 HydrophobicContact CE2-CB 3.86Å; Y1634-R1844 HydrophobicContact CD1-CG 4.4Å; Y1634-R1844 HydrophobicContact CE1-CG 3.99Å | ||
| 1635 | V | 82.4 | Confident | 78.3 | Confident | 15 Ų | 15 | 55 Ų | 55 | 9% | 0.091 | 27% | 0.265 | C | S | . | . | trans | -123.5 | 149.7 | 163.8 | -77.1 | 0 | 0 | 0 | 0 | 108.2 | M1609 T1610 D1637 V1682 A1691 | M1609-V1635 HydrophobicContact SD-CG2 4.34Å; T1610-V1635 WeakPolarHBondContact O-CB 3.35Å; V1635-D1637 PolarHBondContact O-N 2.8Å; V1635-V1682 HydrophobicContact CG1-CB 4.02Å; V1635-V1682 HydrophobicContact CG1-CG1 4.36Å; V1635-V1682 HydrophobicContact CG1-CG2 3.69Å; V1635-V1682 HydrophobicContact CG2-CG1 4.29Å; V1635-A1691 HydrophobicContact CB-CB 4.48Å; V1635-A1691 HydrophobicContact CG1-CB 3.97Å | ||
| 1636 | Q | 75.9 | Confident | 79 | Confident | 64 Ų | 64 | 49.8 Ų | 49.8 | 30% | 0.299 | 24% | 0.236 | S | C | . | . | B | Isolated β-bridge | trans | -87.6 | 106.1 | -176.5 | 179.4 | 72.8 | 80.6 | 0 | 0 | 109.3 | T1610 Y1634 | T1610-Q1636 PolarHBondContact N-O 2.93Å; T1610-Q1636 PolarHBondContact O-N 3.4Å; T1610-Q1636 WeakPolarHBondContact OG1-CB 3.42Å; T1610-Q1636 PolarHBondContact OG1-O 2.85Å; Y1634-Q1636 PolarHBondContact OH-NE2 3.06Å; Y1634-Q1636 PolarHBondContact OH-OE1 3.16Å |
| 1637 | D | 76.6 | Confident | 79.3 | Confident | 26 Ų | 26 | 53 Ų | 53 | 14% | 0.139 | 25% | 0.246 | C | C | . | . | trans | -129.3 | 173.7 | 178 | -146.6 | -28.4 | 0 | 0 | 0 | 111.6 | M1609 V1635 D1639 K1646 | M1609-D1637 HydrophobicContact CB-CB 4.3Å; M1609-D1637 WeakPolarHBondContact CB-OD2 3.48Å; V1635-D1637 PolarHBondContact O-N 2.8Å; D1637-D1639 PolarHBondContact OD1-N 2.94Å; D1637-K1646 WeakPolarHBondContact OD2-CE 3.31Å; D1637-K1646 IonicContact OD2-NZ 3.66Å; D1637-K1646 PolarHBondContact OD2-NZ 2.89Å | ||
| 1638 | L | 74.1 | Confident | 79.7 | Confident | 111 Ų | 111 | 50.7 Ų | 50.7 | 58% | 0.581 | 23% | 0.233 | S | C | * | . | S | Bend | trans | -110.8 | -35.8 | 174.3 | -58.3 | 179.7 | 0 | 0 | 0 | 112.2 | K1575 N1607 | K1575-L1638 PolarHBondContact NZ-O 2.67Å; N1607-L1638 HydrophobicContact CB-CB 4.13Å; N1607-L1638 HydrophobicContact CB-CD1 4.39Å |
| 1639 | D | 73.5 | Confident | 79.4 | Confident | 8 Ų | 8 | 53.3 Ų | 53.3 | 4% | 0.043 | 25% | 0.252 | C | S | . | . | trans | -70.5 | 146.9 | 177.5 | -65.4 | -7.4 | 0 | 0 | 0 | 111 | N1605 D1606 N1607 D1637 D1642 | N1605-D1639 VanDerWaalsContact CA-OD2 3.3Å; N1605-D1639 WeakPolarHBondContact CA-OD2 3.42Å; D1606-D1639 PolarHBondContact N-OD2 3.19Å; N1607-D1639 VanDerWaalsContact CB-OD1 3.22Å; N1607-D1639 WeakPolarHBondContact CB-OD1 3.39Å; N1607-D1639 PolarHBondContact N-OD1 2.96Å; N1607-D1639 PolarHBondContact N-OD2 3.02Å; N1607-D1639 PolarHBondContact ND2-OD1 2.73Å; D1637-D1639 PolarHBondContact OD1-N 2.94Å; D1639-D1642 VanDerWaalsContact CB-OD2 3.31Å; D1639-D1642 WeakPolarHBondContact CB-OD2 3.29Å | ||
| 1640 | D | 65.8 | Low | 79.3 | Confident | 70 Ų | 70 | 52.7 Ų | 52.7 | 37% | 0.374 | 25% | 0.25 | S | C | . | . | trans | -153.7 | 41.4 | -172.3 | 72.6 | -18.9 | 0 | 0 | 0 | 117.2 | R1569 K1575 D1603 | R1569-D1640 IonicContact CZ-OD1 2.7Å; R1569-D1640 IonicContact NE-OD1 3.37Å; R1569-D1640 PolarHBondContact NE-OD1 3.01Å; R1569-D1640 VanDerWaalsContact NH2-CG 3.31Å; R1569-D1640 PolarHBondContact NH2-O 3.19Å; R1569-D1640 IonicContact NH2-OD1 3.45Å; R1569-D1640 PolarHBondContact NH2-OD1 3.42Å; R1569-D1640 IonicContact NH2-OD2 2.76Å; K1575-D1640 WeakPolarHBondContact CD-OD2 3.3Å; K1575-D1640 IonicContact NZ-OD1 2.76Å; K1575-D1640 PolarHBondContact NZ-OD1 3.33Å; K1575-D1640 IonicContact NZ-OD2 3.09Å; K1575-D1640 PolarHBondContact NZ-OD2 2.85Å; D1603-D1640 VanDerWaalsContact OD2-C 3.3Å; D1603-D1640 PolarHBondContact OD2-N 2.99Å | ||
| 1641 | W | 73.2 | Confident | 78.8 | Confident | 136 Ų | 136 | 59.3 Ų | 59.3 | 52% | 0.515 | 28% | 0.275 | S | S | . | . | S | Bend | trans | -131.1 | -0.6 | 144.1 | -72.7 | -24.9 | 0 | 0 | 0 | 114 | V1600 G1602 D1603 A1643 | V1600-W1641 HydrophobicContact CG1-CZ2 4.44Å; G1602-W1641 VanDerWaalsContact CA-CH2 3.44Å; D1603-W1641 HydrophobicContact CB-CB 3.91Å; D1603-W1641 HydrophobicContact CB-CD2 3.93Å; D1603-W1641 HydrophobicContact CB-CE3 3.82Å; D1603-W1641 HydrophobicContact CB-CG 3.98Å; D1603-W1641 PolarHBondContact OD2-N 2.78Å; W1641-A1643 PolarHBondContact O-N 3.13Å |
| 1642 | D | 73.7 | Confident | 78.4 | Confident | 10 Ų | 10 | 62.1 Ų | 62.1 | 5% | 0.053 | 30% | 0.304 | C | S | . | . | trans | -66.1 | 8.8 | -177.7 | 68.2 | 19.4 | 0 | 0 | 0 | 116.8 | N1605 D1639 K1644 D1645 K1646 | N1605-D1642 HydrophobicContact CB-CB 3.95Å; D1639-D1642 VanDerWaalsContact CB-OD2 3.31Å; D1639-D1642 WeakPolarHBondContact CB-OD2 3.29Å; D1642-K1644 PolarHBondContact O-N 3Å; D1642-D1645 WeakPolarHBondContact O-CB 3.48Å; D1642-D1645 PolarHBondContact O-N 3.19Å; D1642-K1646 WeakPolarHBondContact OD1-CE 3.32Å; D1642-K1646 IonicContact OD1-NZ 3.44Å; D1642-K1646 PolarHBondContact OD1-NZ 2.78Å; D1642-K1646 VanDerWaalsContact OD2-CE 3.25Å; D1642-K1646 WeakPolarHBondContact OD2-CE 3.47Å; D1642-K1646 IonicContact OD2-NZ 2.65Å; D1642-K1646 PolarHBondContact OD2-NZ 2.94Å | ||
| 1643 | A | 69.2 | Low | 77.9 | Confident | 36 Ų | 36 | 66.6 Ų | 66.6 | 30% | 0.298 | 33% | 0.328 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -61 | -13.4 | -168.5 | 0 | 0 | 0 | 0 | 0 | 114.7 | R1632 W1641 | R1632-A1643 PolarHBondContact NH2-O 2.79Å; W1641-A1643 PolarHBondContact O-N 3.13Å |
| 1644 | K | 74.6 | Confident | 77.6 | Confident | 176 Ų | 176 | 67.9 Ų | 67.9 | 77% | 0.765 | 34% | 0.337 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -85.2 | -25.9 | 173.5 | -64.4 | 176.9 | 179.9 | 174.5 | 0 | 113.3 | D1642 | D1642-K1644 PolarHBondContact O-N 3Š|
| 1645 | D | 78.7 | Confident | 77.5 | Confident | 40 Ų | 40 | 72.4 Ų | 72.4 | 21% | 0.214 | 36% | 0.363 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -80 | -32.2 | -175.3 | -52.9 | -26.3 | 0 | 0 | 0 | 110.2 | N1605 D1642 T1685 V1686 | N1605-D1645 PolarHBondContact ND2-OD2 3.17Å; D1642-D1645 WeakPolarHBondContact O-CB 3.48Å; D1642-D1645 PolarHBondContact O-N 3.19Å; D1645-T1685 WeakPolarHBondContact O-CB 3.3Å; D1645-T1685 WeakPolarHBondContact O-CG2 3.45Å; D1645-T1685 PolarHBondContact O-N 2.8Å; D1645-T1685 PolarHBondContact O-OG1 2.75Å; D1645-V1686 HydrophobicContact CB-CB 4.2Å; D1645-V1686 HydrophobicContact CB-CG2 3.77Å |
| 1646 | K | 85.6 | Confident | 77.6 | Confident | 8 Ų | 8 | 73.2 Ų | 73.2 | 4% | 0.035 | 37% | 0.367 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -81.4 | 122.2 | 179.3 | -68.6 | 163.3 | -178.9 | 159.9 | 0 | 113.3 | D1637 D1642 F1648 V1682 D1684 | D1637-K1646 WeakPolarHBondContact OD2-CE 3.31Å; D1637-K1646 IonicContact OD2-NZ 3.66Å; D1637-K1646 PolarHBondContact OD2-NZ 2.89Å; D1642-K1646 WeakPolarHBondContact OD1-CE 3.32Å; D1642-K1646 IonicContact OD1-NZ 3.44Å; D1642-K1646 PolarHBondContact OD1-NZ 2.78Å; D1642-K1646 VanDerWaalsContact OD2-CE 3.25Å; D1642-K1646 WeakPolarHBondContact OD2-CE 3.47Å; D1642-K1646 IonicContact OD2-NZ 2.65Å; D1642-K1646 PolarHBondContact OD2-NZ 2.94Å; K1646-F1648 HydrophobicContact CB-CD2 4.37Å; K1646-F1648 HydrophobicContact CB-CE2 3.55Å; K1646-F1648 HydrophobicContact CB-CZ 4.08Å; K1646-F1648 WeakPolarHBondContact O-CD2 3.47Å; K1646-F1648 WeakPolarHBondContact O-CE2 3.37Å; K1646-V1682 HydrophobicContact CB-CG1 4.41Å; K1646-D1684 HydrophobicContact CG-CB 4.14Å |
| 1647 | R | 83.7 | Confident | 78.3 | Confident | 168 Ų | 168 | 70.2 Ų | 70.2 | 63% | 0.634 | 35% | 0.353 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -101.1 | 138 | 171.2 | -68.5 | -176.7 | 174.4 | -163.3 | -2.5 | 111 | T1661 V1682 H1683 T1685 | R1647-T1661 CarbonylContact C-O 3.59Å; R1647-T1661 WeakPolarHBondContact CA-O 3.47Å; R1647-V1682 CarbonylContact O-C 3.57Å; R1647-V1682 WeakPolarHBondContact O-CA 3.31Å; R1647-H1683 PolarHBondContact N-O 3.22Å; R1647-H1683 PolarHBondContact O-N 2.94Å; R1647-T1685 HydrophobicContact CG-CG2 3.92Å |
| 1648 | F | 87.2 | Confident | 78.8 | Confident | 14 Ų | 14 | 75.8 Ų | 75.8 | 6% | 0.061 | 37% | 0.372 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.2 | 145.7 | -175.4 | -62.2 | -112.5 | 0 | 0 | 0 | 110.4 | V1633 K1646 V1659 T1661 H1662 G1663 V1682 | V1633-F1648 HydrophobicContact CB-CD1 3.72Å; V1633-F1648 HydrophobicContact CB-CE1 3.97Å; V1633-F1648 HydrophobicContact CG1-CD1 3.82Å; V1633-F1648 HydrophobicContact CG1-CE1 4.06Å; V1633-F1648 WeakPolarHBondContact O-CE1 3.05Å; K1646-F1648 HydrophobicContact CB-CD2 4.37Å; K1646-F1648 HydrophobicContact CB-CE2 3.55Å; K1646-F1648 HydrophobicContact CB-CZ 4.08Å; K1646-F1648 WeakPolarHBondContact O-CD2 3.47Å; K1646-F1648 WeakPolarHBondContact O-CE2 3.37Å; F1648-V1659 HydrophobicContact CB-CG1 4.04Å; F1648-T1661 PolarHBondContact N-O 3.37Å; F1648-H1662 WeakPolarHBondContact CE2-O 3.48Å; F1648-G1663 VanDerWaalsContact CB-CA 3.46Å; F1648-G1663 VanDerWaalsContact CD1-CA 3.44Å; F1648-V1682 HydrophobicContact CD1-CB 4.12Å; F1648-V1682 HydrophobicContact CD1-CG1 3.67Å; F1648-V1682 HydrophobicContact CD1-CG2 3.38Å; F1648-V1682 HydrophobicContact CD2-CG1 4.2Å; F1648-V1682 HydrophobicContact CE1-CB 4.28Å; F1648-V1682 HydrophobicContact CE1-CG1 3.53Å; F1648-V1682 HydrophobicContact CE1-CG2 3.69Å; F1648-V1682 HydrophobicContact CE2-CG1 4.07Å; F1648-V1682 HydrophobicContact CG-CG1 4.02Å; F1648-V1682 HydrophobicContact CG-CG2 4.19Å; F1648-V1682 HydrophobicContact CZ-CG1 3.74Å |
| 1649 | S | 82 | Confident | 79.3 | Confident | 64 Ų | 64 | 71.5 Ų | 71.5 | 45% | 0.448 | 35% | 0.351 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -142.4 | 128 | 179.6 | 59.8 | 0 | 0 | 0 | 0 | 111.9 | R1651 A1680 D1681 | S1649-R1651 PolarHBondContact O-N 3.16Å; S1649-A1680 CarbonylContact O-C 3.59Å; S1649-A1680 WeakPolarHBondContact O-CA 3.47Å; S1649-A1680 VanDerWaalsContact O-CB 3.22Å; S1649-A1680 WeakPolarHBondContact O-CB 3.29Å; S1649-D1681 PolarHBondContact N-O 2.82Å; S1649-D1681 PolarHBondContact O-N 2.84Å; S1649-D1681 PolarHBondContact OG-O 2.88Å; S1649-D1681 VanDerWaalsContact OG-O 3.05Å |
| 1650 | L | 84.6 | Confident | 79.8 | Confident | 45 Ų | 45 | 72.4 Ų | 72.4 | 24% | 0.236 | 36% | 0.361 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -66.1 | 127.2 | 176.8 | 179.5 | 64.1 | 0 | 0 | 0 | 110.2 | G1652 V1659 I1678 | L1650-G1652 VanDerWaalsContact C-N 3.3Å; L1650-G1652 PolarHBondContact O-N 3.21Å; L1650-V1659 HydrophobicContact CB-CB 4.07Å; L1650-V1659 HydrophobicContact CB-CG2 3.99Å; L1650-V1659 HydrophobicContact CD1-CG2 3.92Å; L1650-V1659 HydrophobicContact CG-CG2 4.45Å; L1650-I1678 HydrophobicContact CD1-CB 3.91Å; L1650-I1678 HydrophobicContact CD1-CD1 4.35Å; L1650-I1678 HydrophobicContact CD1-CG2 4.2Å |
| 1651 | R | 79.5 | Confident | 80.3 | Confident | 140 Ų | 140 | 73.7 Ų | 73.7 | 53% | 0.528 | 37% | 0.372 | S | S | . | . | S | Bend | trans | -87.7 | 66 | -173.1 | -163.1 | 176.6 | -166 | -114.6 | -12.8 | 111.8 | S1649 Q1679 D1681 | S1649-R1651 PolarHBondContact O-N 3.16Å; R1651-Q1679 WeakPolarHBondContact CA-O 3.24Å; R1651-Q1679 HydrophobicContact CB-CB 4.3Å; R1651-Q1679 HydrophobicContact CB-CG 4.46Å; R1651-Q1679 WeakPolarHBondContact CB-O 3.44Å; R1651-Q1679 PolarHBondContact N-O 2.88Å; R1651-D1681 WeakPolarHBondContact CD-OD2 3.39Å; R1651-D1681 WeakPolarHBondContact CG-OD2 3.46Å; R1651-D1681 IonicContact NE-OD1 3.6Å; R1651-D1681 PolarHBondContact NE-OD1 2.92Å; R1651-D1681 IonicContact NE-OD2 2.72Å; R1651-D1681 PolarHBondContact NE-OD2 3.06Å |
| 1652 | G | 75.6 | Confident | 80.6 | Confident | 61 Ų | 61 | 72 Ų | 72 | 63% | 0.629 | 37% | 0.37 | S | S | * | . | S | Bend | trans | 136.1 | -155.4 | -175.7 | 0 | 0 | 0 | 0 | 0 | 111.2 | L1650 | L1650-G1652 VanDerWaalsContact C-N 3.3Å; L1650-G1652 PolarHBondContact O-N 3.21Å |
| 1653 | H | 74.1 | Confident | 80.9 | Confident | 169 Ų | 169 | 71.5 Ų | 71.5 | 78% | 0.782 | 37% | 0.367 | S | S | * | . | trans | -120.4 | 142.4 | 171.6 | -159.1 | 62.9 | 0 | 0 | 0 | 109.5 | D1655 | H1653-D1655 IonicContact CD2-OD1 3.59Å; H1653-D1655 PolarHBondContact CD2-OD1 3.45Å; H1653-D1655 IonicContact NE2-OD1 2.7Å | ||
| 1654 | S | 78.5 | Confident | 81.8 | Confident | 31 Ų | 31 | 74.2 Ų | 74.2 | 22% | 0.217 | 37% | 0.372 | C | S | . | . | trans | -136.8 | 123 | 170.4 | -177.4 | 0 | 0 | 0 | 0 | 107.3 | N1656 F1657 | S1654-N1656 PolarHBondContact O-N 3.05Å; S1654-F1657 PolarHBondContact OG-N 3.33Å | ||
| 1655 | D | 78.4 | Confident | 82.5 | Confident | 128 Ų | 128 | 65.8 Ų | 65.8 | 68% | 0.684 | 34% | 0.336 | S | S | * | . | S | Bend | trans | -69.8 | -22.3 | -177.6 | -49.6 | -35.8 | 0 | 0 | 0 | 111.5 | H1653 | H1653-D1655 IonicContact CD2-OD1 3.59Å; H1653-D1655 PolarHBondContact CD2-OD1 3.45Å; H1653-D1655 IonicContact NE2-OD1 2.7Å |
| 1656 | N | 86.1 | Confident | 82.9 | Confident | 33 Ų | 33 | 66.9 Ų | 66.9 | 18% | 0.176 | 34% | 0.339 | C | S | . | . | S | Bend | trans | -101.2 | -25.3 | -173.6 | -65.3 | -3.9 | 0 | 0 | 0 | 113.9 | S1654 T1668 T1671 Y1676 | S1654-N1656 PolarHBondContact O-N 3.05Å; N1656-T1668 PolarHBondContact O-N 3.16Å; N1656-T1668 PolarHBondContact O-OG1 3.23Å; N1656-T1671 HydrophobicContact CB-CG2 3.95Å; N1656-T1671 PolarHBondContact O-OG1 2.76Å; N1656-Y1676 WeakPolarHBondContact ND2-CE1 3.13Å; N1656-Y1676 VanDerWaalsContact ND2-CZ 3.31Å; N1656-Y1676 PolarHBondContact ND2-OH 2.75Å |
| 1657 | F | 90.1 | Very high | 83.1 | Confident | 0 Ų | 0 | 66.5 Ų | 66.5 | 0% | 0 | 34% | 0.338 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.2 | 132.4 | -172.8 | -55.8 | -78.4 | 0 | 0 | 0 | 113.2 | I1630 S1654 I1665 H1666 M1667 T1671 Y1676 I1697 V1699 | I1630-F1657 HydrophobicContact CD1-CD1 3.85Å; I1630-F1657 HydrophobicContact CD1-CE1 3.76Å; S1654-F1657 PolarHBondContact OG-N 3.33Å; F1657-I1665 HydrophobicContact CD1-CG2 4.45Å; F1657-H1666 WeakPolarHBondContact CA-O 3.13Å; F1657-M1667 HydrophobicContact CD1-CB 4.04Å; F1657-M1667 HydrophobicContact CD1-CG 4.25Å; F1657-M1667 HydrophobicContact CE1-CB 3.84Å; F1657-M1667 HydrophobicContact CE1-CG 3.66Å; F1657-M1667 HydrophobicContact CE1-SD 4.22Å; F1657-M1667 HydrophobicContact CZ-CG 4.43Å; F1657-T1671 HydrophobicContact CE1-CG2 4.31Å; F1657-T1671 HydrophobicContact CE2-CG2 4.39Å; F1657-T1671 HydrophobicContact CZ-CG2 3.79Å; F1657-Y1676 HydrophobicContact CD2-CG 4.44Å; F1657-Y1676 AromaticContact CE2-CD1 3.97Å; F1657-Y1676 HydrophobicContact CE2-CD1 3.97Å; F1657-Y1676 AromaticContact CE2-CD2 3.48Å; F1657-Y1676 HydrophobicContact CE2-CD2 3.48Å; F1657-Y1676 VanDerWaalsContact CE2-CD2 3.48Å; F1657-Y1676 HydrophobicContact CE2-CE1 4.47Å; F1657-Y1676 HydrophobicContact CE2-CE2 4.03Å; F1657-Y1676 AromaticContact CE2-CG 3.43Å; F1657-Y1676 HydrophobicContact CE2-CG 3.43Å; F1657-Y1676 VanDerWaalsContact CE2-CG 3.43Å; F1657-Y1676 AromaticContact CZ-CD2 3.61Å; F1657-Y1676 HydrophobicContact CZ-CD2 3.61Å; F1657-Y1676 HydrophobicContact CZ-CE2 4.02Å; F1657-Y1676 HydrophobicContact CZ-CG 4.07Å; F1657-I1697 HydrophobicContact CB-CD1 4.33Å; F1657-I1697 HydrophobicContact CD1-CD1 3.61Å; F1657-I1697 HydrophobicContact CD2-CD1 4.03Å; F1657-I1697 HydrophobicContact CE1-CB 4.4Å; F1657-I1697 HydrophobicContact CE1-CD1 3.87Å; F1657-I1697 HydrophobicContact CE1-CG2 3.7Å; F1657-I1697 HydrophobicContact CE2-CD1 4.28Å; F1657-I1697 HydrophobicContact CG-CD1 3.69Å; F1657-I1697 HydrophobicContact CZ-CB 4.24Å; F1657-I1697 HydrophobicContact CZ-CD1 4.2Å; F1657-I1697 HydrophobicContact CZ-CG2 3.78Å; F1657-V1699 HydrophobicContact CE1-CG2 4.33Å; F1657-V1699 HydrophobicContact CZ-CG2 3.89Å |
| 1658 | R | 86.4 | Confident | 83.2 | Confident | 143 Ų | 143 | 59.2 Ų | 59.2 | 54% | 0.54 | 31% | 0.312 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.8 | 132.7 | 176.2 | -59 | -178 | -169.5 | 132.2 | 10.5 | 110 | D1627 I1665 H1666 | D1627-R1658 IonicContact OD2-CZ 3.85Å; D1627-R1658 IonicContact OD2-NH1 2.78Å; D1627-R1658 PolarHBondContact OD2-NH1 2.92Å; D1627-R1658 IonicContact OD2-NH2 2.69Å; R1658-I1665 WeakPolarHBondContact O-CA 3.09Å; R1658-H1666 PolarHBondContact N-O 2.85Å; R1658-H1666 PolarHBondContact O-N 2.75Å |
| 1659 | V | 85.5 | Confident | 82.8 | Confident | 22 Ų | 22 | 60.1 Ų | 60.1 | 13% | 0.133 | 32% | 0.32 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -98 | 114.2 | 170 | -177.9 | 0 | 0 | 0 | 0 | 107.9 | V1633 F1648 L1650 K1664 I1665 I1678 A1680 | V1633-V1659 HydrophobicContact CG2-CG1 3.72Å; V1633-V1659 HydrophobicContact CG2-CG2 4.04Å; F1648-V1659 HydrophobicContact CB-CG1 4.04Å; L1650-V1659 HydrophobicContact CB-CB 4.07Å; L1650-V1659 HydrophobicContact CB-CG2 3.99Å; L1650-V1659 HydrophobicContact CD1-CG2 3.92Å; L1650-V1659 HydrophobicContact CG-CG2 4.45Å; V1659-K1664 CarbonylContact C-O 3.56Å; V1659-K1664 WeakPolarHBondContact CA-O 3.33Å; V1659-I1665 HydrophobicContact CG2-CG1 4.32Å; V1659-I1678 HydrophobicContact CG2-CD1 4Å; V1659-A1680 HydrophobicContact CG1-CB 4.45Å; V1659-A1680 HydrophobicContact CG2-CB 4.48Å |
| 1660 | G | 82.4 | Confident | 82.5 | Confident | 26 Ų | 26 | 63.9 Ų | 63.9 | 27% | 0.268 | 34% | 0.335 | S | S | . | . | trans | -69.5 | 164.9 | 173.1 | 0 | 0 | 0 | 0 | 0 | 112.1 | H1662 G1663 K1664 | G1660-H1662 PolarHBondContact O-N 3.28Å; G1660-H1662 VanDerWaalsContact O-N 3.1Å; G1660-G1663 WeakPolarHBondContact O-CA 3.25Å; G1660-G1663 PolarHBondContact O-N 3.4Å; G1660-K1664 PolarHBondContact N-O 2.85Å | ||
| 1661 | T | 77.1 | Confident | 82.4 | Confident | 97 Ų | 97 | 61.8 Ų | 61.8 | 60% | 0.595 | 32% | 0.324 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -57.5 | -29 | -174.9 | 48.2 | 0 | 0 | 0 | 0 | 114.4 | R1647 F1648 | R1647-T1661 CarbonylContact C-O 3.59Å; R1647-T1661 WeakPolarHBondContact CA-O 3.47Å; F1648-T1661 PolarHBondContact N-O 3.37Å |
| 1662 | H | 79.2 | Confident | 82.5 | Confident | 100 Ų | 100 | 58.4 Ų | 58.4 | 46% | 0.463 | 32% | 0.32 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -93.6 | 12.5 | 175.6 | -55.6 | 111.1 | 0 | 0 | 0 | 113.6 | R1632 F1648 G1660 | R1632-H1662 VanDerWaalsContact CZ-O 3.28Å; R1632-H1662 PolarHBondContact NE-O 2.79Å; R1632-H1662 PolarHBondContact NH2-O 3.07Å; F1648-H1662 WeakPolarHBondContact CE2-O 3.48Å; G1660-H1662 PolarHBondContact O-N 3.28Å; G1660-H1662 VanDerWaalsContact O-N 3.1Å |
| 1663 | G | 81.6 | Confident | 82.7 | Confident | 0 Ų | 0 | 58.1 Ų | 58.1 | 0% | 0 | 31% | 0.312 | C | S | . | . | S | Bend | trans | 87.9 | -2.8 | 174.7 | 0 | 0 | 0 | 0 | 0 | 115.6 | R1632 V1633 F1648 G1660 I1665 | R1632-G1663 CarbonylContact C-O 3.54Å; R1632-G1663 WeakPolarHBondContact CA-O 3.31Å; R1632-G1663 WeakPolarHBondContact CG-O 3.35Å; V1633-G1663 PolarHBondContact N-O 2.81Å; F1648-G1663 VanDerWaalsContact CB-CA 3.46Å; F1648-G1663 VanDerWaalsContact CD1-CA 3.44Å; G1660-G1663 WeakPolarHBondContact O-CA 3.25Å; G1660-G1663 PolarHBondContact O-N 3.4Å; G1663-I1665 PolarHBondContact O-N 2.91Å |
| 1664 | K | 87.3 | Confident | 83.2 | Confident | 93 Ų | 93 | 51.5 Ų | 51.5 | 40% | 0.404 | 29% | 0.289 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -61.1 | 132.2 | 174.6 | -68.5 | -173.6 | 157.3 | -136.7 | 0 | 110.4 | E1629 V1659 G1660 | E1629-K1664 HydrophobicContact CG-CB 4.49Å; E1629-K1664 WeakPolarHBondContact OE1-CD 3.43Å; E1629-K1664 WeakPolarHBondContact OE1-CE 3.34Å; E1629-K1664 VanDerWaalsContact OE1-CG 3.32Å; E1629-K1664 WeakPolarHBondContact OE1-CG 3.31Å; E1629-K1664 IonicContact OE1-NZ 3.35Å; E1629-K1664 PolarHBondContact OE1-NZ 2.86Å; E1629-K1664 WeakPolarHBondContact OE2-CD 3.21Å; E1629-K1664 WeakPolarHBondContact OE2-CE 3.47Å; E1629-K1664 IonicContact OE2-NZ 2.8Å; E1629-K1664 PolarHBondContact OE2-NZ 2.82Å; V1659-K1664 CarbonylContact C-O 3.56Å; V1659-K1664 WeakPolarHBondContact CA-O 3.33Å; G1660-K1664 PolarHBondContact N-O 2.85Å |
| 1665 | I | 87.9 | Confident | 83.5 | Confident | 0 Ų | 0 | 55.9 Ų | 55.9 | 0% | 0 | 31% | 0.306 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.2 | 120.2 | -178.5 | -60.1 | 164.5 | 0 | 0 | 0 | 107.4 | I1616 E1629 I1630 G1631 V1633 F1657 R1658 V1659 G1663 I1678 V1695 I1697 | I1616-I1665 HydrophobicContact CD1-CD1 3.65Å; E1629-I1665 WeakPolarHBondContact CA-O 3.28Å; I1630-I1665 HydrophobicContact CD1-CG2 3.83Å; I1630-I1665 HydrophobicContact CG1-CB 4.17Å; I1630-I1665 HydrophobicContact CG1-CG2 3.78Å; I1630-I1665 WeakPolarHBondContact CG1-O 3.16Å; I1630-I1665 PolarHBondContact N-O 2.84Å; G1631-I1665 PolarHBondContact O-N 3.27Å; V1633-I1665 HydrophobicContact CG2-CD1 3.88Å; V1633-I1665 HydrophobicContact CG2-CG1 3.9Å; F1657-I1665 HydrophobicContact CD1-CG2 4.45Å; R1658-I1665 WeakPolarHBondContact O-CA 3.09Å; V1659-I1665 HydrophobicContact CG2-CG1 4.32Å; G1663-I1665 PolarHBondContact O-N 2.91Å; I1665-I1678 HydrophobicContact CD1-CD1 4.16Å; I1665-I1678 HydrophobicContact CG1-CD1 4.32Å; I1665-I1678 HydrophobicContact CG2-CD1 4.16Å; I1665-V1695 HydrophobicContact CD1-CB 4.19Å; I1665-V1695 HydrophobicContact CD1-CG1 3.91Å; I1665-V1695 HydrophobicContact CD1-CG2 3.94Å; I1665-I1697 HydrophobicContact CG2-CD1 4.02Å |
| 1666 | H | 88.4 | Confident | 84 | Confident | 62 Ų | 62 | 52.5 Ų | 52.5 | 29% | 0.287 | 28% | 0.284 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.8 | 129.5 | 177 | -60.4 | -91.6 | 0 | 0 | 0 | 110 | V1628 F1657 R1658 | V1628-H1666 CarbonylContact O-C 3.52Å; V1628-H1666 WeakPolarHBondContact O-CA 3.38Å; F1657-H1666 WeakPolarHBondContact CA-O 3.13Å; R1658-H1666 PolarHBondContact N-O 2.85Å; R1658-H1666 PolarHBondContact O-N 2.75Å |
| 1667 | M | 89.9 | Confident | 83.9 | Confident | 1 Ų | 1 | 57.7 Ų | 57.7 | 1% | 0.005 | 31% | 0.307 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.2 | 134.1 | 171.5 | -178.3 | 176.1 | 70.7 | 0 | 0 | 109.3 | V1618 R1620 L1624 D1627 V1628 I1630 F1657 T1671 V1699 | V1618-M1667 HydrophobicContact CG1-CE 3.71Å; V1618-M1667 HydrophobicContact CG1-SD 3.93Å; R1620-M1667 HydrophobicContact CB-CE 4.12Å; L1624-M1667 HydrophobicContact CD2-CE 3.84Å; D1627-M1667 WeakPolarHBondContact CA-O 3.32Å; V1628-M1667 HydrophobicContact CG2-CB 4.45Å; V1628-M1667 HydrophobicContact CG2-CE 4.01Å; V1628-M1667 PolarHBondContact N-O 2.85Å; V1628-M1667 VanDerWaalsContact N-O 3.07Å; V1628-M1667 PolarHBondContact O-N 2.87Å; I1630-M1667 HydrophobicContact CD1-CB 4.19Å; I1630-M1667 HydrophobicContact CG1-CB 4.4Å; I1630-M1667 HydrophobicContact CG2-CB 3.77Å; I1630-M1667 HydrophobicContact CG2-CE 4.46Å; F1657-M1667 HydrophobicContact CD1-CB 4.04Å; F1657-M1667 HydrophobicContact CD1-CG 4.25Å; F1657-M1667 HydrophobicContact CE1-CB 3.84Å; F1657-M1667 HydrophobicContact CE1-CG 3.66Å; F1657-M1667 HydrophobicContact CE1-SD 4.22Å; F1657-M1667 HydrophobicContact CZ-CG 4.43Å; M1667-T1671 HydrophobicContact CG-CG2 3.79Å; M1667-T1671 VanDerWaalsContact CG-OG1 3.3Å; M1667-T1671 WeakPolarHBondContact CG-OG1 3.39Å; M1667-T1671 HydrophobicContact SD-CG2 3.88Å; M1667-V1699 HydrophobicContact SD-CB 4.45Å; M1667-V1699 HydrophobicContact SD-CG1 3.8Å; M1667-V1699 HydrophobicContact SD-CG2 3.72Å |
| 1668 | T | 85.4 | Confident | 83.9 | Confident | 14 Ų | 14 | 58.3 Ų | 58.3 | 9% | 0.086 | 31% | 0.31 | C | S | . | . | trans | -76.1 | 146.6 | 177.8 | 62.6 | 0 | 0 | 0 | 0 | 111.6 | D1627 N1656 N1670 T1671 | D1627-T1668 WeakPolarHBondContact OD1-CA 3.35Å; N1656-T1668 PolarHBondContact O-N 3.16Å; N1656-T1668 PolarHBondContact O-OG1 3.23Å; T1668-N1670 PolarHBondContact O-N 3.05Å; T1668-N1670 VanDerWaalsContact O-N 3.11Å; T1668-T1671 PolarHBondContact N-OG1 2.73Å; T1668-T1671 VanDerWaalsContact O-CB 3.24Å; T1668-T1671 WeakPolarHBondContact O-CB 3.35Å; T1668-T1671 PolarHBondContact O-N 3.35Å; T1668-T1671 PolarHBondContact O-OG1 3.43Å; T1668-T1671 PolarHBondContact OG1-OG1 3.09Å; T1668-T1671 VanDerWaalsContact OG1-OG1 3.06Å | ||
| 1669 | S | 78.2 | Confident | 83.9 | Confident | 34 Ų | 34 | 53.7 Ų | 53.7 | 24% | 0.238 | 30% | 0.295 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -49.8 | -39 | -176.8 | 55.8 | 0 | 0 | 0 | 0 | 114.4 | L1624 D1627 T1671 | L1624-S1669 WeakPolarHBondContact O-CB 3.36Å; D1627-S1669 PolarHBondContact OD1-N 2.85Å; S1669-T1671 VanDerWaalsContact C-N 3.35Å; S1669-T1671 PolarHBondContact O-N 2.82Å |
| 1670 | N | 76.1 | Confident | 84.1 | Confident | 143 Ų | 143 | 52.7 Ų | 52.7 | 77% | 0.765 | 29% | 0.289 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -86.7 | 9.4 | -179.9 | -74.9 | -44.3 | 0 | 0 | 0 | 114.7 | T1668 P1672 | T1668-N1670 PolarHBondContact O-N 3.05Å; T1668-N1670 VanDerWaalsContact O-N 3.11Å; N1670-P1672 VanDerWaalsContact O-CD 3.26Å; N1670-P1672 WeakPolarHBondContact O-CD 3.44Å |
| 1671 | T | 82.7 | Confident | 84.2 | Confident | 1 Ų | 1 | 53.9 Ų | 53.9 | 1% | 0.006 | 29% | 0.289 | C | S | . | . | P | Polyproline II helix | trans | -60.4 | 120.4 | -179.9 | -66.1 | 0 | 0 | 0 | 0 | 111.2 | R1620 N1656 F1657 M1667 T1668 S1669 Y1676 V1699 | R1620-T1671 PolarHBondContact NH1-O 3.21Å; N1656-T1671 HydrophobicContact CB-CG2 3.95Å; N1656-T1671 PolarHBondContact O-OG1 2.76Å; F1657-T1671 HydrophobicContact CE1-CG2 4.31Å; F1657-T1671 HydrophobicContact CE2-CG2 4.39Å; F1657-T1671 HydrophobicContact CZ-CG2 3.79Å; M1667-T1671 HydrophobicContact CG-CG2 3.79Å; M1667-T1671 VanDerWaalsContact CG-OG1 3.3Å; M1667-T1671 WeakPolarHBondContact CG-OG1 3.39Å; M1667-T1671 HydrophobicContact SD-CG2 3.88Å; T1668-T1671 PolarHBondContact N-OG1 2.73Å; T1668-T1671 VanDerWaalsContact O-CB 3.24Å; T1668-T1671 WeakPolarHBondContact O-CB 3.35Å; T1668-T1671 PolarHBondContact O-N 3.35Å; T1668-T1671 PolarHBondContact O-OG1 3.43Å; T1668-T1671 PolarHBondContact OG1-OG1 3.09Å; T1668-T1671 VanDerWaalsContact OG1-OG1 3.06Å; S1669-T1671 VanDerWaalsContact C-N 3.35Å; S1669-T1671 PolarHBondContact O-N 2.82Å; T1671-Y1676 HydrophobicContact CG2-CE2 4.19Å; T1671-V1699 HydrophobicContact CG2-CG2 4.12Å |
| 1672 | P | 80.7 | Confident | 84.8 | Confident | 69 Ų | 69 | 49.3 Ų | 49.3 | 45% | 0.448 | 26% | 0.261 | S | S | . | . | P | Polyproline II helix | trans | -68.8 | 151.6 | 175.7 | -18.8 | 32.5 | 0 | 0 | 0 | 112.2 | N1670 Y1676 | N1670-P1672 VanDerWaalsContact O-CD 3.26Å; N1670-P1672 WeakPolarHBondContact O-CD 3.44Å; P1672-Y1676 PolarHBondContact O-OH 2.74Å |
| 1673 | A | 81.6 | Confident | 84.9 | Confident | 55 Ų | 55 | 47.1 Ų | 47.1 | 46% | 0.455 | 25% | 0.251 | S | S | . | . | S | Bend | trans | -59.1 | 136.5 | 167.4 | 0 | 0 | 0 | 0 | 0 | 111.1 | V1699 | A1673-V1699 CarbonylContact C-O 3.59Å; A1673-V1699 WeakPolarHBondContact CA-O 3.49Å; A1673-V1699 WeakPolarHBondContact CB-O 3.4Å |
| 1674 | G | 84.6 | Confident | 85 | Confident | 29 Ų | 29 | 47.1 Ų | 47.1 | 30% | 0.299 | 25% | 0.251 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | 157.7 | 174.3 | -174.7 | 0 | 0 | 0 | 0 | 0 | 114.3 | Y1676 V1699 | G1674-Y1676 WeakPolarHBondContact O-CD2 3.37Å; G1674-Y1676 WeakPolarHBondContact O-CE2 3.48Å; G1674-V1699 PolarHBondContact N-O 2.85Å; G1674-V1699 PolarHBondContact O-N 2.75Å |
| 1675 | E | 83.6 | Confident | 84.7 | Confident | 124 Ų | 124 | 45.7 Ų | 45.7 | 58% | 0.579 | 25% | 0.25 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -95.6 | 141.2 | 171.7 | -58.4 | -158.6 | 136.5 | 0 | 0 | 111.7 | K1696 I1697 I1698 | E1675-K1696 VanDerWaalsContact CD-CE 3.49Å; E1675-K1696 IonicContact OE1-NZ 3.83Å; E1675-K1696 PolarHBondContact OE1-NZ 3.4Å; E1675-K1696 VanDerWaalsContact OE2-CE 3.25Å; E1675-K1696 WeakPolarHBondContact OE2-CE 3.49Å; E1675-K1696 IonicContact OE2-NZ 3.58Å; E1675-K1696 PolarHBondContact OE2-NZ 2.64Å; E1675-I1697 CarbonylContact C-O 3.56Å; E1675-I1697 WeakPolarHBondContact CA-O 3.38Å; E1675-I1698 HydrophobicContact CG-CG1 4.26Å |
| 1676 | Y | 89.5 | Confident | 84.1 | Confident | 57 Ų | 57 | 50 Ų | 50 | 22% | 0.224 | 28% | 0.277 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -139.1 | 157.6 | -179.4 | -54.4 | -84.9 | 0 | 0 | 0 | 110.3 | N1656 F1657 T1671 P1672 G1674 K1696 I1697 V1699 | N1656-Y1676 WeakPolarHBondContact ND2-CE1 3.13Å; N1656-Y1676 VanDerWaalsContact ND2-CZ 3.31Å; N1656-Y1676 PolarHBondContact ND2-OH 2.75Å; F1657-Y1676 HydrophobicContact CD2-CG 4.44Å; F1657-Y1676 AromaticContact CE2-CD1 3.97Å; F1657-Y1676 HydrophobicContact CE2-CD1 3.97Å; F1657-Y1676 AromaticContact CE2-CD2 3.48Å; F1657-Y1676 HydrophobicContact CE2-CD2 3.48Å; F1657-Y1676 VanDerWaalsContact CE2-CD2 3.48Å; F1657-Y1676 HydrophobicContact CE2-CE1 4.47Å; F1657-Y1676 HydrophobicContact CE2-CE2 4.03Å; F1657-Y1676 AromaticContact CE2-CG 3.43Å; F1657-Y1676 HydrophobicContact CE2-CG 3.43Å; F1657-Y1676 VanDerWaalsContact CE2-CG 3.43Å; F1657-Y1676 AromaticContact CZ-CD2 3.61Å; F1657-Y1676 HydrophobicContact CZ-CD2 3.61Å; F1657-Y1676 HydrophobicContact CZ-CE2 4.02Å; F1657-Y1676 HydrophobicContact CZ-CG 4.07Å; T1671-Y1676 HydrophobicContact CG2-CE2 4.19Å; P1672-Y1676 PolarHBondContact O-OH 2.74Å; G1674-Y1676 WeakPolarHBondContact O-CD2 3.37Å; G1674-Y1676 WeakPolarHBondContact O-CE2 3.48Å; Y1676-K1696 CarbonylContact O-C 3.58Å; Y1676-K1696 WeakPolarHBondContact O-CA 3.37Å; Y1676-K1696 WeakPolarHBondContact O-CG 3.41Å; Y1676-I1697 PolarHBondContact N-O 2.72Å; Y1676-I1697 PolarHBondContact O-N 3.33Å; Y1676-V1699 HydrophobicContact CD2-CG2 4.22Å; Y1676-V1699 HydrophobicContact CE2-CB 4.43Å; Y1676-V1699 HydrophobicContact CE2-CG2 4.04Å |
| 1677 | E | 84.2 | Confident | 83.6 | Confident | 141 Ų | 141 | 50.7 Ų | 50.7 | 66% | 0.659 | 28% | 0.277 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -135.9 | 131.3 | 173 | -169.5 | -174.7 | 163.1 | 0 | 0 | 109 | ||
| 1678 | I | 90.3 | Very high | 83.2 | Confident | 13 Ų | 13 | 56.6 Ų | 56.6 | 7% | 0.067 | 31% | 0.308 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.2 | 153 | 174 | 63 | 171 | 0 | 0 | 0 | 110.4 | L1650 V1659 I1665 V1695 I1697 | L1650-I1678 HydrophobicContact CD1-CB 3.91Å; L1650-I1678 HydrophobicContact CD1-CD1 4.35Å; L1650-I1678 HydrophobicContact CD1-CG2 4.2Å; V1659-I1678 HydrophobicContact CG2-CD1 4Å; I1665-I1678 HydrophobicContact CD1-CD1 4.16Å; I1665-I1678 HydrophobicContact CG1-CD1 4.32Å; I1665-I1678 HydrophobicContact CG2-CD1 4.16Å; I1678-V1695 HydrophobicContact CD1-CB 4.46Å; I1678-V1695 HydrophobicContact CG1-CB 3.93Å; I1678-V1695 PolarHBondContact N-O 2.99Å; I1678-V1695 PolarHBondContact O-N 3.16Å; I1678-I1697 HydrophobicContact CD1-CD1 3.88Å; I1678-I1697 HydrophobicContact CG1-CD1 4.12Å |
| 1679 | Q | 86.1 | Confident | 83.2 | Confident | 47 Ų | 47 | 58 Ų | 58 | 22% | 0.22 | 31% | 0.314 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.8 | 144.2 | 167.6 | -175.5 | 171.2 | 47.5 | 0 | 0 | 108.5 | R1651 G1693 R1694 | R1651-Q1679 WeakPolarHBondContact CA-O 3.24Å; R1651-Q1679 HydrophobicContact CB-CB 4.3Å; R1651-Q1679 HydrophobicContact CB-CG 4.46Å; R1651-Q1679 WeakPolarHBondContact CB-O 3.44Å; R1651-Q1679 PolarHBondContact N-O 2.88Å; Q1679-G1693 WeakPolarHBondContact CA-O 3.33Å; Q1679-R1694 HydrophobicContact CB-CG 4.39Å; Q1679-R1694 HydrophobicContact CG-CG 4.18Å |
| 1680 | A | 89.1 | Confident | 83.4 | Confident | 1 Ų | 1 | 62.2 Ų | 62.2 | 1% | 0.008 | 33% | 0.334 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.8 | 139.4 | 172.1 | 0 | 0 | 0 | 0 | 0 | 110.7 | V1633 S1649 V1659 K1692 G1693 | V1633-A1680 HydrophobicContact CB-CB 4.49Å; V1633-A1680 HydrophobicContact CG1-CB 3.89Å; V1633-A1680 HydrophobicContact CG2-CB 3.82Å; S1649-A1680 CarbonylContact O-C 3.59Å; S1649-A1680 WeakPolarHBondContact O-CA 3.47Å; S1649-A1680 VanDerWaalsContact O-CB 3.22Å; S1649-A1680 WeakPolarHBondContact O-CB 3.29Å; V1659-A1680 HydrophobicContact CG1-CB 4.45Å; V1659-A1680 HydrophobicContact CG2-CB 4.48Å; A1680-K1692 WeakPolarHBondContact O-CA 3.34Å; A1680-G1693 PolarHBondContact N-O 2.86Å; A1680-G1693 PolarHBondContact O-N 2.83Å |
| 1681 | D | 85.6 | Confident | 83.8 | Confident | 50 Ų | 50 | 55.5 Ų | 55.5 | 27% | 0.267 | 30% | 0.298 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.5 | 134.3 | 169.6 | -63.2 | -58.5 | 0 | 0 | 0 | 107.9 | S1649 R1651 K1692 | S1649-D1681 PolarHBondContact N-O 2.82Å; S1649-D1681 PolarHBondContact O-N 2.84Å; S1649-D1681 PolarHBondContact OG-O 2.88Å; S1649-D1681 VanDerWaalsContact OG-O 3.05Å; R1651-D1681 WeakPolarHBondContact CD-OD2 3.39Å; R1651-D1681 WeakPolarHBondContact CG-OD2 3.46Å; R1651-D1681 IonicContact NE-OD1 3.6Å; R1651-D1681 PolarHBondContact NE-OD1 2.92Å; R1651-D1681 IonicContact NE-OD2 2.72Å; R1651-D1681 PolarHBondContact NE-OD2 3.06Å; D1681-K1692 VanDerWaalsContact OD1-CD 3.26Å; D1681-K1692 WeakPolarHBondContact OD1-CD 3.36Å; D1681-K1692 WeakPolarHBondContact OD1-CE 3.47Å; D1681-K1692 WeakPolarHBondContact OD1-CG 3.48Å |
| 1682 | V | 87.9 | Confident | 83.9 | Confident | 1 Ų | 1 | 58.5 Ų | 58.5 | 1% | 0.006 | 31% | 0.311 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.8 | 135.9 | -170.5 | -171.9 | 0 | 0 | 0 | 0 | 109.3 | M1609 V1633 V1635 K1646 R1647 F1648 D1690 A1691 | M1609-V1682 HydrophobicContact CE-CG1 4.36Å; M1609-V1682 WeakPolarHBondContact CE-O 3.21Å; M1609-V1682 HydrophobicContact SD-CG1 4.15Å; V1633-V1682 HydrophobicContact CG1-CG2 4.04Å; V1635-V1682 HydrophobicContact CG1-CB 4.02Å; V1635-V1682 HydrophobicContact CG1-CG1 4.36Å; V1635-V1682 HydrophobicContact CG1-CG2 3.69Å; V1635-V1682 HydrophobicContact CG2-CG1 4.29Å; K1646-V1682 HydrophobicContact CB-CG1 4.41Å; R1647-V1682 CarbonylContact O-C 3.57Å; R1647-V1682 WeakPolarHBondContact O-CA 3.31Å; F1648-V1682 HydrophobicContact CD1-CB 4.12Å; F1648-V1682 HydrophobicContact CD1-CG1 3.67Å; F1648-V1682 HydrophobicContact CD1-CG2 3.38Å; F1648-V1682 HydrophobicContact CD2-CG1 4.2Å; F1648-V1682 HydrophobicContact CE1-CB 4.28Å; F1648-V1682 HydrophobicContact CE1-CG1 3.53Å; F1648-V1682 HydrophobicContact CE1-CG2 3.69Å; F1648-V1682 HydrophobicContact CE2-CG1 4.07Å; F1648-V1682 HydrophobicContact CG-CG1 4.02Å; F1648-V1682 HydrophobicContact CG-CG2 4.19Å; F1648-V1682 HydrophobicContact CZ-CG1 3.74Å; V1682-D1690 CarbonylContact O-C 3.53Å; V1682-D1690 VanDerWaalsContact O-CA 3.31Å; V1682-D1690 WeakPolarHBondContact O-CA 3.23Å; V1682-A1691 PolarHBondContact N-O 2.69Å; V1682-A1691 PolarHBondContact O-N 3.3Å; V1682-A1691 VanDerWaalsContact O-O 3.14Å |
| 1683 | H | 82.6 | Confident | 84.2 | Confident | 54 Ų | 54 | 55.2 Ų | 55.2 | 25% | 0.25 | 29% | 0.289 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.2 | 116.3 | -171.6 | 179.2 | 80.3 | 0 | 0 | 0 | 111 | R1647 E1689 D1690 | R1647-H1683 PolarHBondContact N-O 3.22Å; R1647-H1683 PolarHBondContact O-N 2.94Å; H1683-E1689 CarbonylContact C-O 3.59Å; H1683-E1689 VanDerWaalsContact CA-O 3.32Å; H1683-E1689 WeakPolarHBondContact CA-O 3.14Å; H1683-D1690 IonicContact CE1-OD1 2.81Å; H1683-D1690 IonicContact CG-OD1 2.75Å; H1683-D1690 IonicContact ND1-OD1 3.54Å; H1683-D1690 PolarHBondContact ND1-OD1 3.27Å |
| 1684 | D | 83.1 | Confident | 84.5 | Confident | 0 Ų | 0 | 57.2 Ų | 57.2 | 0% | 0 | 29% | 0.285 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -80.9 | 128.9 | 173.9 | -173.9 | -70.3 | 0 | 0 | 0 | 110.2 | N1605 M1609 K1646 V1686 R1687 N1688 E1689 | N1605-D1684 PolarHBondContact ND2-OD2 3.05Å; M1609-D1684 HydrophobicContact CE-CB 3.89Å; M1609-D1684 VanDerWaalsContact CE-N 3.28Å; K1646-D1684 HydrophobicContact CG-CB 4.14Å; D1684-V1686 WeakPolarHBondContact OD1-CA 3.41Å; D1684-V1686 PolarHBondContact OD1-N 2.92Å; D1684-R1687 HydrophobicContact CB-CB 4.31Å; D1684-R1687 WeakPolarHBondContact OD1-CB 3.44Å; D1684-R1687 WeakPolarHBondContact OD1-CG 3.48Å; D1684-R1687 PolarHBondContact OD1-N 2.77Å; D1684-N1688 WeakPolarHBondContact O-CA 3.33Å; D1684-N1688 PolarHBondContact O-N 2.79Å; D1684-E1689 HydrophobicContact CB-CG 4.12Å; D1684-E1689 PolarHBondContact N-O 3.21Å; D1684-E1689 PolarHBondContact O-N 2.75Å |
| 1685 | T | 80.2 | Confident | 84.8 | Confident | 63 Ų | 63 | 55.9 Ų | 55.9 | 39% | 0.387 | 27% | 0.271 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -94.9 | -9.6 | -175.2 | 59.9 | 0 | 0 | 0 | 0 | 115.5 | D1645 R1647 | D1645-T1685 WeakPolarHBondContact O-CB 3.3Å; D1645-T1685 WeakPolarHBondContact O-CG2 3.45Å; D1645-T1685 PolarHBondContact O-N 2.8Å; D1645-T1685 PolarHBondContact O-OG1 2.75Å; R1647-T1685 HydrophobicContact CG-CG2 3.92Å |
| 1686 | V | 76.3 | Confident | 84.9 | Confident | 92 Ų | 92 | 53.4 Ų | 53.4 | 56% | 0.558 | 26% | 0.258 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -88.9 | -41.7 | 173 | 167.4 | 0 | 0 | 0 | 0 | 110.2 | N1605 D1645 D1684 | N1605-V1686 HydrophobicContact CB-CG1 4.39Å; D1645-V1686 HydrophobicContact CB-CB 4.2Å; D1645-V1686 HydrophobicContact CB-CG2 3.77Å; D1684-V1686 WeakPolarHBondContact OD1-CA 3.41Å; D1684-V1686 PolarHBondContact OD1-N 2.92Å |
| 1687 | R | 78.5 | Confident | 85 | Confident | 76 Ų | 76 | 50.7 Ų | 50.7 | 29% | 0.287 | 25% | 0.248 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -87.3 | -27.5 | 176.3 | -53.8 | -172 | 70.2 | 80.9 | -13.5 | 113.8 | N1605 D1606 N1607 D1684 E1689 | N1605-R1687 WeakPolarHBondContact OD1-CD 3.13Å; N1605-R1687 WeakPolarHBondContact OD1-CG 3.48Å; D1606-R1687 PolarHBondContact O-NH1 3.09Å; D1606-R1687 PolarHBondContact O-NH2 2.7Å; N1607-R1687 WeakPolarHBondContact O-CD 3.47Å; N1607-R1687 PolarHBondContact O-NE 3.19Å; N1607-R1687 PolarHBondContact O-NH1 2.86Å; N1607-R1687 PolarHBondContact O-NH2 3.21Å; D1684-R1687 HydrophobicContact CB-CB 4.31Å; D1684-R1687 WeakPolarHBondContact OD1-CB 3.44Å; D1684-R1687 WeakPolarHBondContact OD1-CG 3.48Å; D1684-R1687 PolarHBondContact OD1-N 2.77Å; R1687-E1689 HydrophobicContact CB-CG 3.82Å; R1687-E1689 WeakPolarHBondContact CD-OE1 3.29Å; R1687-E1689 VanDerWaalsContact NE-CD 3.34Å; R1687-E1689 IonicContact NE-OE1 2.7Å; R1687-E1689 PolarHBondContact NE-OE1 2.81Å; R1687-E1689 IonicContact NE-OE2 3.57Å; R1687-E1689 PolarHBondContact NE-OE2 2.9Å |
| 1688 | N | 81.9 | Confident | 85.2 | Confident | 124 Ų | 124 | 45.4 Ų | 45.4 | 66% | 0.663 | 22% | 0.224 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 60.4 | 60.3 | -172.9 | -166.2 | 110.9 | 0 | 0 | 0 | 112.1 | D1684 | D1684-N1688 WeakPolarHBondContact O-CA 3.33Å; D1684-N1688 PolarHBondContact O-N 2.79Å |
| 1689 | E | 83.6 | Confident | 85.1 | Confident | 45 Ų | 45 | 45 Ų | 45 | 21% | 0.21 | 22% | 0.222 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -137.5 | 160.5 | 179.5 | 61.3 | -175.1 | -142.8 | 0 | 0 | 112.3 | P1608 M1609 H1683 D1684 R1687 | P1608-E1689 WeakPolarHBondContact CA-OE1 3.39Å; M1609-E1689 HydrophobicContact CE-CG 4.26Å; M1609-E1689 WeakPolarHBondContact CE-O 3.3Å; M1609-E1689 HydrophobicContact CG-CG 4.29Å; M1609-E1689 PolarHBondContact N-OE1 2.94Å; H1683-E1689 CarbonylContact C-O 3.59Å; H1683-E1689 VanDerWaalsContact CA-O 3.32Å; H1683-E1689 WeakPolarHBondContact CA-O 3.14Å; D1684-E1689 HydrophobicContact CB-CG 4.12Å; D1684-E1689 PolarHBondContact N-O 3.21Å; D1684-E1689 PolarHBondContact O-N 2.75Å; R1687-E1689 HydrophobicContact CB-CG 3.82Å; R1687-E1689 WeakPolarHBondContact CD-OE1 3.29Å; R1687-E1689 VanDerWaalsContact NE-CD 3.34Å; R1687-E1689 IonicContact NE-OE1 2.7Å; R1687-E1689 PolarHBondContact NE-OE1 2.81Å; R1687-E1689 IonicContact NE-OE2 3.57Å; R1687-E1689 PolarHBondContact NE-OE2 2.9Å |
| 1690 | D | 82.3 | Confident | 85.1 | Confident | 122 Ų | 122 | 44.6 Ų | 44.6 | 65% | 0.652 | 22% | 0.22 | S | C | * | . | E | Extended strand (participates in β ladder) | trans | -125.2 | 134.6 | -170.4 | -63.9 | -57.5 | 0 | 0 | 0 | 113 | V1682 H1683 | V1682-D1690 CarbonylContact O-C 3.53Å; V1682-D1690 VanDerWaalsContact O-CA 3.31Å; V1682-D1690 WeakPolarHBondContact O-CA 3.23Å; H1683-D1690 IonicContact CE1-OD1 2.81Å; H1683-D1690 IonicContact CG-OD1 2.75Å; H1683-D1690 IonicContact ND1-OD1 3.54Å; H1683-D1690 PolarHBondContact ND1-OD1 3.27Å |
| 1691 | A | 86.5 | Confident | 84.9 | Confident | 1 Ų | 1 | 47.9 Ų | 47.9 | 1% | 0.008 | 24% | 0.235 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -137.4 | 175.4 | 174.5 | 0 | 0 | 0 | 0 | 0 | 111.2 | M1609 D1611 V1635 V1682 | M1609-A1691 HydrophobicContact CE-CB 4Å; M1609-A1691 HydrophobicContact CG-CB 3.85Å; M1609-A1691 HydrophobicContact SD-CB 3.72Å; D1611-A1691 WeakPolarHBondContact OD1-CA 3.34Å; V1635-A1691 HydrophobicContact CB-CB 4.48Å; V1635-A1691 HydrophobicContact CG1-CB 3.97Å; V1682-A1691 PolarHBondContact N-O 2.69Å; V1682-A1691 PolarHBondContact O-N 3.3Å; V1682-A1691 VanDerWaalsContact O-O 3.14Å |
| 1692 | K | 84.5 | Confident | 85 | Confident | 64 Ų | 64 | 45.6 Ų | 45.6 | 28% | 0.278 | 22% | 0.223 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -135.6 | 130.9 | -179.6 | -54.8 | -177.5 | -173.3 | 61.8 | 0 | 112.6 | D1611 G1612 A1680 D1681 | D1611-K1692 CarbonylContact C-O 3.47Å; D1611-K1692 VanDerWaalsContact CA-O 3.23Å; D1611-K1692 WeakPolarHBondContact CA-O 3.48Å; D1611-K1692 PolarHBondContact OD1-N 2.85Å; G1612-K1692 PolarHBondContact N-O 3.08Å; A1680-K1692 WeakPolarHBondContact O-CA 3.34Å; D1681-K1692 VanDerWaalsContact OD1-CD 3.26Å; D1681-K1692 WeakPolarHBondContact OD1-CD 3.36Å; D1681-K1692 WeakPolarHBondContact OD1-CE 3.47Å; D1681-K1692 WeakPolarHBondContact OD1-CG 3.48Å |
| 1693 | G | 87.1 | Confident | 84.7 | Confident | 0 Ų | 0 | 47.2 Ų | 47.2 | 0% | 0 | 23% | 0.232 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -101.3 | 124.7 | 169 | 0 | 0 | 0 | 0 | 0 | 111.4 | G1612 Y1634 Q1679 A1680 | G1612-G1693 WeakPolarHBondContact O-CA 3.43Å; Y1634-G1693 WeakPolarHBondContact O-CA 3.39Å; Q1679-G1693 WeakPolarHBondContact CA-O 3.33Å; A1680-G1693 PolarHBondContact N-O 2.86Å; A1680-G1693 PolarHBondContact O-N 2.83Å |
| 1694 | R | 87.6 | Confident | 84.5 | Confident | 98 Ų | 98 | 49.5 Ų | 49.5 | 37% | 0.37 | 24% | 0.242 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -90.9 | 139 | 161 | -80.6 | -168.7 | -64.4 | -81.9 | -4 | 109.5 | G1612 E1613 A1614 Q1679 | G1612-R1694 PolarHBondContact O-N 2.86Å; E1613-R1694 CarbonylContact C-O 3.6Å; E1613-R1694 VanDerWaalsContact CA-O 3.28Å; E1613-R1694 WeakPolarHBondContact CA-O 3.48Å; E1613-R1694 HydrophobicContact CB-CB 4.41Å; E1613-R1694 HydrophobicContact CG-CB 4Å; E1613-R1694 IonicContact OE2-CZ 3.49Å; E1613-R1694 IonicContact OE2-NE 3.48Å; E1613-R1694 PolarHBondContact OE2-NE 2.97Å; E1613-R1694 IonicContact OE2-NH2 3.85Å; E1613-R1694 PolarHBondContact OE2-NH2 3.29Å; A1614-R1694 PolarHBondContact N-O 2.96Å; Q1679-R1694 HydrophobicContact CB-CG 4.39Å; Q1679-R1694 HydrophobicContact CG-CG 4.18Å |
| 1695 | V | 90 | Very high | 84.2 | Confident | 1 Ų | 1 | 53.6 Ų | 53.6 | 1% | 0.006 | 26% | 0.262 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.1 | 118.8 | 176.3 | -173.7 | 0 | 0 | 0 | 0 | 110.5 | A1614 I1616 V1633 I1665 I1678 I1697 | A1614-V1695 VanDerWaalsContact O-CA 3.31Å; A1614-V1695 WeakPolarHBondContact O-CA 3.41Å; I1616-V1695 HydrophobicContact CD1-CG1 3.6Å; I1616-V1695 HydrophobicContact CG1-CG1 3.62Å; V1633-V1695 HydrophobicContact CG2-CG2 4.5Å; I1665-V1695 HydrophobicContact CD1-CB 4.19Å; I1665-V1695 HydrophobicContact CD1-CG1 3.91Å; I1665-V1695 HydrophobicContact CD1-CG2 3.94Å; I1678-V1695 HydrophobicContact CD1-CB 4.46Å; I1678-V1695 HydrophobicContact CG1-CB 3.93Å; I1678-V1695 PolarHBondContact N-O 2.99Å; I1678-V1695 PolarHBondContact O-N 3.16Å; V1695-I1697 HydrophobicContact CG1-CG1 4.02Å |
| 1696 | K | 86.5 | Confident | 84.3 | Confident | 71 Ų | 71 | 50.6 Ų | 50.6 | 31% | 0.309 | 24% | 0.243 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -85.6 | 137.6 | 166.3 | -164.7 | -169.9 | -174.5 | -167.3 | 0 | 108.9 | A1614 V1615 I1616 E1675 Y1676 | A1614-K1696 PolarHBondContact O-N 2.74Å; V1615-K1696 CarbonylContact C-O 3.48Å; V1615-K1696 WeakPolarHBondContact CA-O 3.36Å; V1615-K1696 HydrophobicContact CG1-CB 4.38Å; V1615-K1696 HydrophobicContact CG2-CB 4.29Å; I1616-K1696 PolarHBondContact N-O 2.99Å; E1675-K1696 VanDerWaalsContact CD-CE 3.49Å; E1675-K1696 IonicContact OE1-NZ 3.83Å; E1675-K1696 PolarHBondContact OE1-NZ 3.4Å; E1675-K1696 VanDerWaalsContact OE2-CE 3.25Å; E1675-K1696 WeakPolarHBondContact OE2-CE 3.49Å; E1675-K1696 IonicContact OE2-NZ 3.58Å; E1675-K1696 PolarHBondContact OE2-NZ 2.64Å; Y1676-K1696 CarbonylContact O-C 3.58Å; Y1676-K1696 WeakPolarHBondContact O-CA 3.37Å; Y1676-K1696 WeakPolarHBondContact O-CG 3.41Å |
| 1697 | I | 91.6 | Very high | 84.7 | Confident | 0 Ų | 0 | 47.6 Ų | 47.6 | 0% | 0 | 22% | 0.224 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.9 | 130.5 | -179.9 | -52.1 | 167.3 | 0 | 0 | 0 | 108.4 | I1616 V1618 I1630 F1657 I1665 E1675 Y1676 I1678 V1695 V1699 | I1616-I1697 HydrophobicContact CB-CG1 4.38Å; I1616-I1697 HydrophobicContact CB-CG2 4.41Å; I1616-I1697 HydrophobicContact CD1-CG1 4.42Å; I1616-I1697 CarbonylContact O-C 3.59Å; I1616-I1697 WeakPolarHBondContact O-CA 3.23Å; V1618-I1697 HydrophobicContact CG2-CG2 3.93Å; I1630-I1697 HydrophobicContact CD1-CD1 4.04Å; I1630-I1697 HydrophobicContact CD1-CG1 4.4Å; I1630-I1697 HydrophobicContact CD1-CG2 3.64Å; F1657-I1697 HydrophobicContact CB-CD1 4.33Å; F1657-I1697 HydrophobicContact CD1-CD1 3.61Å; F1657-I1697 HydrophobicContact CD2-CD1 4.03Å; F1657-I1697 HydrophobicContact CE1-CB 4.4Å; F1657-I1697 HydrophobicContact CE1-CD1 3.87Å; F1657-I1697 HydrophobicContact CE1-CG2 3.7Å; F1657-I1697 HydrophobicContact CE2-CD1 4.28Å; F1657-I1697 HydrophobicContact CG-CD1 3.69Å; F1657-I1697 HydrophobicContact CZ-CB 4.24Å; F1657-I1697 HydrophobicContact CZ-CD1 4.2Å; F1657-I1697 HydrophobicContact CZ-CG2 3.78Å; I1665-I1697 HydrophobicContact CG2-CD1 4.02Å; E1675-I1697 CarbonylContact C-O 3.56Å; E1675-I1697 WeakPolarHBondContact CA-O 3.38Å; Y1676-I1697 PolarHBondContact N-O 2.72Å; Y1676-I1697 PolarHBondContact O-N 3.33Å; I1678-I1697 HydrophobicContact CD1-CD1 3.88Å; I1678-I1697 HydrophobicContact CG1-CD1 4.12Å; V1695-I1697 HydrophobicContact CG1-CG1 4.02Å; I1697-V1699 HydrophobicContact CG2-CG2 4.08Å |
| 1698 | I | 87.8 | Confident | 84.6 | Confident | 31 Ų | 31 | 49 Ų | 49 | 16% | 0.159 | 24% | 0.237 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.9 | 115.5 | -179.8 | -56.2 | 176.7 | 0 | 0 | 0 | 106.7 | V1615 I1616 V1618 E1675 | V1615-I1698 HydrophobicContact CG1-CD1 4.24Å; I1616-I1698 PolarHBondContact O-N 2.81Å; V1618-I1698 PolarHBondContact N-O 2.82Å; E1675-I1698 HydrophobicContact CG-CG1 4.26Å |
| 1699 | V | 89.1 | Confident | 84.9 | Confident | 3 Ų | 3 | 44.6 Ų | 44.6 | 2% | 0.018 | 21% | 0.214 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.1 | 119 | -177.9 | -175.3 | 0 | 0 | 0 | 0 | 109.5 | V1618 R1620 F1657 M1667 T1671 A1673 G1674 Y1676 I1697 | V1618-V1699 HydrophobicContact CB-CG2 4.32Å; V1618-V1699 HydrophobicContact CG2-CG2 4.49Å; R1620-V1699 HydrophobicContact CG-CG1 4.46Å; F1657-V1699 HydrophobicContact CE1-CG2 4.33Å; F1657-V1699 HydrophobicContact CZ-CG2 3.89Å; M1667-V1699 HydrophobicContact SD-CB 4.45Å; M1667-V1699 HydrophobicContact SD-CG1 3.8Å; M1667-V1699 HydrophobicContact SD-CG2 3.72Å; T1671-V1699 HydrophobicContact CG2-CG2 4.12Å; A1673-V1699 CarbonylContact C-O 3.59Å; A1673-V1699 WeakPolarHBondContact CA-O 3.49Å; A1673-V1699 WeakPolarHBondContact CB-O 3.4Å; G1674-V1699 PolarHBondContact N-O 2.85Å; G1674-V1699 PolarHBondContact O-N 2.75Å; Y1676-V1699 HydrophobicContact CD2-CG2 4.22Å; Y1676-V1699 HydrophobicContact CE2-CB 4.43Å; Y1676-V1699 HydrophobicContact CE2-CG2 4.04Å; I1697-V1699 HydrophobicContact CG2-CG2 4.08Å |
| 1700 | E | 85.7 | Confident | 85.1 | Confident | 39 Ų | 39 | 43.1 Ų | 43.1 | 18% | 0.182 | 21% | 0.208 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.6 | 155.9 | 173.2 | -72 | -179.4 | -145 | 0 | 0 | 110.5 | Q1617 V1618 Y1619 R1620 Q1752 | Q1617-E1700 PolarHBondContact NE2-OE1 3.34Å; V1618-E1700 PolarHBondContact O-N 2.7Å; Y1619-E1700 HydrophobicContact CD1-CB 3.97Å; Y1619-E1700 HydrophobicContact CE1-CB 4.28Å; Y1619-E1700 WeakPolarHBondContact CE1-OE2 3.34Å; R1620-E1700 WeakPolarHBondContact CG-O 3.28Å; R1620-E1700 PolarHBondContact N-O 2.86Å; E1700-Q1752 PolarHBondContact OE2-NE2 3.45Å |
| 1701 | E | 84.4 | Confident | 85.5 | Confident | 70 Ų | 70 | 37.3 Ų | 37.3 | 33% | 0.327 | 18% | 0.177 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.4 | 132.8 | -177.4 | -176.2 | 176 | 152.4 | 0 | 0 | 111.2 | R1620 Q1622 | R1620-E1701 HydrophobicContact CG-CB 4.17Å; R1620-E1701 HydrophobicContact CG-CG 4.27Å; R1620-E1701 IonicContact CZ-OE2 2.84Å; R1620-E1701 IonicContact NE-OE2 2.7Å; R1620-E1701 PolarHBondContact NE-OE2 3.19Å; R1620-E1701 VanDerWaalsContact NH2-CD 3.35Å; R1620-E1701 IonicContact NH2-OE1 2.71Å; R1620-E1701 IonicContact NH2-OE2 3.13Å; R1620-E1701 PolarHBondContact NH2-OE2 3.19Å; R1620-E1701 WeakPolarHBondContact O-CA 3.36Å; Q1622-E1701 HydrophobicContact CG-CG 4.5Å; Q1622-E1701 VanDerWaalsContact CG-OE1 3.3Å; Q1622-E1701 WeakPolarHBondContact CG-OE1 3.44Å |
| 1702 | I | 87.1 | Confident | 85.7 | Confident | 2 Ų | 2 | 37.5 Ų | 37.5 | 1% | 0.01 | 18% | 0.178 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.7 | 117 | 174.9 | -54.7 | -58.1 | 0 | 0 | 0 | 107.1 | Y1619 R1620 Q1622 A1706 L1707 Q1752 Y1754 L1850 | Y1619-I1702 HydrophobicContact CD1-CD1 3.95Å; Y1619-I1702 HydrophobicContact CD1-CG1 4.43Å; R1620-I1702 PolarHBondContact O-N 3.18Å; Q1622-I1702 PolarHBondContact N-O 2.93Å; I1702-A1706 HydrophobicContact CG2-CB 3.66Å; I1702-L1707 HydrophobicContact CG2-CD2 3.82Å; I1702-L1707 HydrophobicContact CG2-CG 4.16Å; I1702-Q1752 HydrophobicContact CD1-CB 4.15Å; I1702-Y1754 HydrophobicContact CD1-CD1 3.84Å; I1702-Y1754 HydrophobicContact CD1-CG 4.22Å; I1702-Y1754 HydrophobicContact CG1-CD1 4.26Å; I1702-Y1754 HydrophobicContact CG1-CG 4.23Å; I1702-Y1754 HydrophobicContact CG2-CD1 4.42Å; I1702-Y1754 HydrophobicContact CG2-CE1 4.49Å; I1702-L1850 HydrophobicContact CB-CD1 4.11Å; I1702-L1850 HydrophobicContact CG1-CD1 4.23Å; I1702-L1850 HydrophobicContact CG2-CD1 3.94Å |
| 1703 | N | 82.4 | Confident | 86 | Confident | 35 Ų | 35 | 34.5 Ų | 34.5 | 19% | 0.187 | 17% | 0.165 | C | C | . | . | trans | -93.4 | 168 | 176.4 | 65.2 | -29.4 | 0 | 0 | 0 | 111.5 | Q1622 E1705 A1706 L1707 Y1777 | Q1622-N1703 HydrophobicContact CG-CB 4.05Å; N1703-E1705 WeakPolarHBondContact ND2-CB 3.44Å; N1703-E1705 PolarHBondContact ND2-OE2 2.59Å; N1703-E1705 PolarHBondContact O-N 2.76Å; N1703-A1706 VanDerWaalsContact O-CB 3.25Å; N1703-A1706 WeakPolarHBondContact O-CB 3.14Å; N1703-A1706 PolarHBondContact O-N 2.59Å; N1703-A1706 PolarHBondContact OD1-N 2.84Å; N1703-L1707 PolarHBondContact O-N 2.72Å; N1703-Y1777 WeakPolarHBondContact OD1-CE2 3.38Å; N1703-Y1777 PolarHBondContact OD1-OH 2.8Å; N1703-Y1777 VanDerWaalsContact OD1-OH 3.08Å | ||
| 1704 | Q | 77.6 | Confident | 86 | Confident | 102 Ų | 102 | 37.7 Ų | 37.7 | 48% | 0.477 | 18% | 0.177 | S | C | . | . | H | α-helix | trans | -55.1 | -38.8 | 177.9 | -170.5 | 59.1 | 40.7 | 0 | 0 | 112.6 | A1706 L1707 D1708 | Q1704-A1706 PolarHBondContact O-N 3.48Å; Q1704-A1706 VanDerWaalsContact O-N 3.16Å; Q1704-L1707 WeakPolarHBondContact O-CB 3.47Å; Q1704-L1707 PolarHBondContact O-N 3.15Å; Q1704-D1708 PolarHBondContact NE2-OD1 3.16Å; Q1704-D1708 PolarHBondContact O-N 3.06Å |
| 1705 | E | 76.9 | Confident | 86.1 | Confident | 87 Ų | 87 | 33 Ų | 33 | 41% | 0.407 | 16% | 0.159 | S | C | . | . | H | α-helix | trans | -56.1 | -32.3 | 175.8 | -163.1 | -166.1 | 155.9 | 0 | 0 | 112.8 | N1703 N1709 Y1777 | N1703-E1705 WeakPolarHBondContact ND2-CB 3.44Å; N1703-E1705 PolarHBondContact ND2-OE2 2.59Å; N1703-E1705 PolarHBondContact O-N 2.76Å; E1705-N1709 WeakPolarHBondContact O-CB 3.33Å; E1705-N1709 PolarHBondContact O-N 3.31Å; E1705-N1709 PolarHBondContact O-ND2 3.35Å; E1705-Y1777 HydrophobicContact CB-CD2 4.02Å; E1705-Y1777 HydrophobicContact CB-CE2 4.34Å; E1705-Y1777 VanDerWaalsContact CD-CD2 3.47Å; E1705-Y1777 HydrophobicContact CG-CD2 3.77Å; E1705-Y1777 HydrophobicContact CG-CG 4.44Å; E1705-Y1777 WeakPolarHBondContact OE1-CD2 3.19Å; E1705-Y1777 PolarHBondContact OE1-N 3.3Å |
| 1706 | A | 82.4 | Confident | 85.8 | Confident | 0 Ų | 0 | 34.8 Ų | 34.8 | 0% | 0 | 17% | 0.167 | C | C | . | . | H | α-helix | trans | -71.5 | -40 | 174.6 | 0 | 0 | 0 | 0 | 0 | 112.3 | I1702 N1703 Q1704 N1709 T1710 A1771 Y1777 | I1702-A1706 HydrophobicContact CG2-CB 3.66Å; N1703-A1706 VanDerWaalsContact O-CB 3.25Å; N1703-A1706 WeakPolarHBondContact O-CB 3.14Å; N1703-A1706 PolarHBondContact O-N 2.59Å; N1703-A1706 PolarHBondContact OD1-N 2.84Å; Q1704-A1706 PolarHBondContact O-N 3.48Å; Q1704-A1706 VanDerWaalsContact O-N 3.16Å; A1706-N1709 CarbonylContact O-C 3.44Å; A1706-N1709 PolarHBondContact O-N 2.85Å; A1706-T1710 PolarHBondContact O-N 3.23Å; A1706-T1710 VanDerWaalsContact O-N 3.13Å; A1706-A1771 HydrophobicContact CB-CB 4.01Å; A1706-Y1777 HydrophobicContact CB-CD1 4.01Å; A1706-Y1777 HydrophobicContact CB-CE1 3.41Å; A1706-Y1777 VanDerWaalsContact CB-CE1 3.41Å; A1706-Y1777 HydrophobicContact CB-CE2 4.17Å; A1706-Y1777 VanDerWaalsContact CB-CZ 3.48Å |
| 1707 | L | 84.6 | Confident | 85.5 | Confident | 28 Ų | 28 | 32 Ų | 32 | 15% | 0.147 | 16% | 0.159 | C | C | . | . | H | α-helix | trans | -70 | -42.5 | 179.4 | -58.8 | 177.9 | 0 | 0 | 0 | 110.9 | I1702 N1703 Q1704 N1709 T1710 Y1754 V1833 L1850 | I1702-L1707 HydrophobicContact CG2-CD2 3.82Å; I1702-L1707 HydrophobicContact CG2-CG 4.16Å; N1703-L1707 PolarHBondContact O-N 2.72Å; Q1704-L1707 WeakPolarHBondContact O-CB 3.47Å; Q1704-L1707 PolarHBondContact O-N 3.15Å; L1707-N1709 PolarHBondContact O-N 2.6Å; L1707-N1709 VanDerWaalsContact O-N 3.17Å; L1707-T1710 WeakPolarHBondContact O-CB 3.27Å; L1707-T1710 PolarHBondContact O-N 2.93Å; L1707-T1710 VanDerWaalsContact O-N 3.11Å; L1707-T1710 PolarHBondContact O-OG1 3.1Å; L1707-Y1754 HydrophobicContact CD2-CE2 4.13Å; L1707-V1833 HydrophobicContact CD1-CG2 3.76Å; L1707-V1833 HydrophobicContact CD2-CG2 3.67Å; L1707-V1833 HydrophobicContact CG-CG2 4.38Å; L1707-L1850 HydrophobicContact CD2-CD1 4.04Å |
| 1708 | D | 78 | Confident | 85.1 | Confident | 105 Ų | 105 | 32.1 Ų | 32.1 | 56% | 0.561 | 16% | 0.159 | S | C | * | . | H | α-helix | trans | -61.3 | -21.9 | 172.4 | -59 | -19.6 | 0 | 0 | 0 | 112.2 | Q1704 | Q1704-D1708 PolarHBondContact NE2-OD1 3.16Å; Q1704-D1708 PolarHBondContact O-N 3.06Å |
| 1709 | N | 86.7 | Confident | 84.9 | Confident | 33 Ų | 33 | 32.7 Ų | 32.7 | 18% | 0.176 | 16% | 0.164 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -112 | 28.7 | 176.8 | -69.3 | -90.2 | 0 | 0 | 0 | 113.1 | E1705 A1706 L1707 A1711 S1779 | E1705-N1709 WeakPolarHBondContact O-CB 3.33Å; E1705-N1709 PolarHBondContact O-N 3.31Å; E1705-N1709 PolarHBondContact O-ND2 3.35Å; A1706-N1709 CarbonylContact O-C 3.44Å; A1706-N1709 PolarHBondContact O-N 2.85Å; L1707-N1709 PolarHBondContact O-N 2.6Å; L1707-N1709 VanDerWaalsContact O-N 3.17Å; N1709-A1711 PolarHBondContact O-N 2.81Å; N1709-S1779 WeakPolarHBondContact OD1-CA 3.14Å |
| 1710 | T | 89.6 | Confident | 84.7 | Confident | 14 Ų | 14 | 32.8 Ų | 32.8 | 9% | 0.086 | 17% | 0.166 | C | C | . | . | trans | -62 | 133.2 | 176.7 | -55.9 | 0 | 0 | 0 | 0 | 112 | A1706 L1707 Y1754 Y1769 P1780 V1831 | A1706-T1710 PolarHBondContact O-N 3.23Å; A1706-T1710 VanDerWaalsContact O-N 3.13Å; L1707-T1710 WeakPolarHBondContact O-CB 3.27Å; L1707-T1710 PolarHBondContact O-N 2.93Å; L1707-T1710 VanDerWaalsContact O-N 3.11Å; L1707-T1710 PolarHBondContact O-OG1 3.1Å; T1710-Y1754 WeakPolarHBondContact CB-OH 3.25Å; T1710-Y1754 WeakPolarHBondContact CG2-OH 3.46Å; T1710-Y1754 PolarHBondContact OG1-OH 2.83Å; T1710-Y1769 HydrophobicContact CG2-CD1 3.9Å; T1710-P1780 WeakPolarHBondContact O-CB 3.41Å; T1710-P1780 WeakPolarHBondContact O-CG 3.36Å; T1710-V1831 HydrophobicContact CG2-CG2 3.92Å | ||
| 1711 | A | 90.3 | Very high | 84.5 | Confident | 0 Ų | 0 | 34.1 Ų | 34.1 | 0% | 0 | 17% | 0.172 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.9 | 149.9 | 160.2 | 0 | 0 | 0 | 0 | 0 | 111 | N1709 Y1769 F1770 L1783 | N1709-A1711 PolarHBondContact O-N 2.81Å; A1711-Y1769 WeakPolarHBondContact O-CA 3.47Å; A1711-F1770 HydrophobicContact CB-CD1 4.35Å; A1711-F1770 HydrophobicContact CB-CD2 4.26Å; A1711-F1770 HydrophobicContact CB-CE1 3.83Å; A1711-F1770 HydrophobicContact CB-CE2 3.72Å; A1711-F1770 HydrophobicContact CB-CZ 3.48Å; A1711-F1770 VanDerWaalsContact CB-CZ 3.48Å; A1711-F1770 PolarHBondContact N-O 3.35Å; A1711-F1770 PolarHBondContact O-N 2.87Å; A1711-L1783 HydrophobicContact CB-CB 3.7Å; A1711-L1783 HydrophobicContact CB-CD1 3.8Å; A1711-L1783 HydrophobicContact CB-CG 4.41Å |
| 1712 | S | 90.7 | Very high | 84.3 | Confident | 5 Ų | 5 | 32.5 Ų | 32.5 | 4% | 0.035 | 17% | 0.165 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -134.4 | 143.3 | -171.5 | 59.8 | 0 | 0 | 0 | 0 | 112 | L1768 H1784 N1814 L1815 | S1712-L1768 WeakPolarHBondContact CA-O 3.29Å; S1712-H1784 PolarHBondContact N-NE2 3.26Å; S1712-N1814 PolarHBondContact O-N 2.82Å; S1712-N1814 WeakPolarHBondContact OG-CA 3.3Å; S1712-L1815 PolarHBondContact OG-N 3.16Å |
| 1713 | L | 89.3 | Confident | 84.3 | Confident | 0 Ų | 0 | 32.4 Ų | 32.4 | 0% | 0 | 17% | 0.165 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -152.9 | 132.1 | -171.3 | 179.2 | 73 | 0 | 0 | 0 | 110.5 | I1715 F1736 L1768 F1770 L1787 I1810 V1813 | L1713-I1715 HydrophobicContact CD2-CG2 4Å; L1713-I1715 HydrophobicContact CG-CG2 4.01Å; L1713-F1736 HydrophobicContact CD2-CD2 4.4Å; L1713-F1736 HydrophobicContact CD2-CE2 3.51Å; L1713-F1736 HydrophobicContact CD2-CZ 3.94Å; L1713-L1768 HydrophobicContact CB-CB 4.42Å; L1713-L1768 HydrophobicContact CD2-CD1 4.23Å; L1713-L1768 PolarHBondContact N-O 2.92Å; L1713-L1768 PolarHBondContact O-N 2.75Å; L1713-F1770 HydrophobicContact CB-CE1 4.48Å; L1713-L1787 HydrophobicContact CB-CD1 4.38Å; L1713-L1787 HydrophobicContact CD1-CD1 4.15Å; L1713-L1787 HydrophobicContact CD2-CD2 4.25Å; L1713-I1810 HydrophobicContact CD1-CB 4.41Å; L1713-I1810 HydrophobicContact CD1-CD1 4.23Å; L1713-I1810 HydrophobicContact CD1-CG1 4.14Å; L1713-I1810 HydrophobicContact CD1-CG2 3.46Å; L1713-I1810 VanDerWaalsContact CD1-CG2 3.46Å; L1713-V1813 HydrophobicContact CD1-CG2 3.73Å |
| 1714 | R | 89 | Confident | 84.5 | Confident | 68 Ų | 68 | 30.9 Ų | 30.9 | 26% | 0.257 | 16% | 0.157 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.4 | 125.9 | 170.2 | 177.6 | 171.2 | -74.3 | 172.4 | -0.5 | 110.4 | L1766 D1767 V1811 D1812 L1815 | R1714-L1766 CarbonylContact C-O 3.57Å; R1714-L1766 WeakPolarHBondContact CA-O 3.36Å; R1714-D1767 VanDerWaalsContact CB-OD1 3.3Å; R1714-D1767 WeakPolarHBondContact CB-OD1 3.14Å; R1714-D1767 VanDerWaalsContact CG-OD1 3.25Å; R1714-D1767 WeakPolarHBondContact CG-OD1 3.49Å; R1714-D1767 IonicContact CZ-OD1 2.87Å; R1714-D1767 IonicContact CZ-OD2 3.94Å; R1714-D1767 IonicContact NE-OD1 2.72Å; R1714-D1767 PolarHBondContact NE-OD1 2.85Å; R1714-D1767 IonicContact NE-OD2 2.73Å; R1714-D1767 IonicContact NH2-OD1 3.2Å; R1714-D1767 PolarHBondContact NH2-OD1 2.85Å; R1714-D1767 IonicContact NH2-OD2 3.23Å; R1714-D1767 PolarHBondContact NH2-OD2 3.04Å; R1714-V1811 HydrophobicContact CB-CB 4.44Å; R1714-V1811 HydrophobicContact CG-CB 4.05Å; R1714-V1811 HydrophobicContact CG-CG2 4.33Å; R1714-V1811 PolarHBondContact O-N 2.81Å; R1714-D1812 HydrophobicContact CB-CB 4.45Å; R1714-D1812 PolarHBondContact N-O 2.82Å; R1714-D1812 PolarHBondContact O-N 2.79Å; R1714-L1815 HydrophobicContact CB-CD1 4.11Å; R1714-L1815 HydrophobicContact CB-CD2 3.88Å; R1714-L1815 HydrophobicContact CB-CG 4.28Å |
| 1715 | I | 89.2 | Confident | 84.7 | Confident | 0 Ų | 0 | 29.5 Ų | 29.5 | 0% | 0 | 15% | 0.147 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.4 | 159.4 | 175 | 69.4 | 175.3 | 0 | 0 | 0 | 111.5 | L1713 V1718 F1723 K1765 L1766 L1768 M1798 I1808 L1809 I1810 | L1713-I1715 HydrophobicContact CD2-CG2 4Å; L1713-I1715 HydrophobicContact CG-CG2 4.01Å; I1715-V1718 HydrophobicContact CD1-CG1 3.65Å; I1715-V1718 HydrophobicContact CG1-CG1 4.17Å; I1715-F1723 HydrophobicContact CD1-CD2 3.82Å; I1715-F1723 HydrophobicContact CD1-CE2 3.69Å; I1715-F1723 HydrophobicContact CD1-CZ 4.33Å; I1715-K1765 CarbonylContact O-C 3.51Å; I1715-K1765 VanDerWaalsContact O-CA 3.24Å; I1715-K1765 WeakPolarHBondContact O-CA 3.43Å; I1715-L1766 HydrophobicContact CD1-CB 4.48Å; I1715-L1766 HydrophobicContact CD1-CD2 3.95Å; I1715-L1766 HydrophobicContact CG1-CB 3.8Å; I1715-L1766 HydrophobicContact CG1-CD2 4.16Å; I1715-L1766 HydrophobicContact CG1-CG 4.45Å; I1715-L1766 PolarHBondContact N-O 2.78Å; I1715-L1766 PolarHBondContact O-N 2.86Å; I1715-L1768 HydrophobicContact CD1-CD1 4.1Å; I1715-L1768 HydrophobicContact CG2-CD1 4.5Å; I1715-M1798 HydrophobicContact CD1-SD 4.34Å; I1715-M1798 HydrophobicContact CG2-CE 4.3Å; I1715-I1808 HydrophobicContact CB-CG2 4.33Å; I1715-I1808 HydrophobicContact CD1-CG2 3.89Å; I1715-I1808 HydrophobicContact CG1-CG2 4.48Å; I1715-L1809 CarbonylContact C-O 3.51Å; I1715-L1809 WeakPolarHBondContact CA-O 3.36Å; I1715-L1809 WeakPolarHBondContact CB-O 3.3Å; I1715-I1810 HydrophobicContact CG2-CG1 4.09Å |
| 1716 | Q | 84.2 | Confident | 84.6 | Confident | 38 Ų | 38 | 27.3 Ų | 27.3 | 18% | 0.178 | 14% | 0.14 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -133.4 | 147.7 | 179.4 | 177.3 | 171.6 | 53.8 | 0 | 0 | 111.1 | P1763 P1764 K1765 I1808 L1809 V1811 | Q1716-P1763 HydrophobicContact CG-CB 3.88Å; Q1716-P1763 HydrophobicContact CG-CG 4.45Å; Q1716-P1763 PolarHBondContact NE2-O 3.09Å; Q1716-P1763 VanDerWaalsContact NE2-O 3.17Å; Q1716-P1764 CarbonylContact C-O 3.6Å; Q1716-P1764 WeakPolarHBondContact CA-O 3.33Å; Q1716-K1765 HydrophobicContact CB-CG 4.29Å; Q1716-K1765 HydrophobicContact CG-CG 4.29Å; Q1716-I1808 WeakPolarHBondContact O-CA 3.21Å; Q1716-L1809 PolarHBondContact N-O 2.92Å; Q1716-L1809 PolarHBondContact O-N 2.89Å; Q1716-V1811 HydrophobicContact CB-CG2 3.46Å; Q1716-V1811 VanDerWaalsContact CB-CG2 3.46Å |
| 1717 | G | 79.8 | Confident | 84 | Confident | 12 Ų | 12 | 28.8 Ų | 28.8 | 12% | 0.124 | 15% | 0.149 | C | C | . | . | S | Bend | trans | 105 | 0.8 | 177.1 | 0 | 0 | 0 | 0 | 0 | 114.3 | P1764 Q1806 | G1717-P1764 PolarHBondContact N-O 3.45Å; G1717-Q1806 PolarHBondContact O-NE2 2.76Å |
| 1718 | V | 83.4 | Confident | 83.2 | Confident | 2 Ų | 2 | 33.5 Ų | 33.5 | 1% | 0.012 | 18% | 0.175 | C | C | . | . | trans | -144.5 | 151 | -178.6 | 74.2 | 0 | 0 | 0 | 0 | 110.2 | I1715 D1722 F1723 L1766 I1808 | I1715-V1718 HydrophobicContact CD1-CG1 3.65Å; I1715-V1718 HydrophobicContact CG1-CG1 4.17Å; V1718-D1722 HydrophobicContact CG2-CB 3.71Å; V1718-F1723 HydrophobicContact CG1-CB 4.24Å; V1718-F1723 HydrophobicContact CG1-CD2 4.17Å; V1718-F1723 HydrophobicContact CG2-CB 4.11Å; V1718-L1766 HydrophobicContact CG1-CD2 4.36Å; V1718-I1808 HydrophobicContact CB-CD1 3.78Å; V1718-I1808 HydrophobicContact CB-CG1 4.08Å; V1718-I1808 HydrophobicContact CG1-CD1 4.03Å; V1718-I1808 HydrophobicContact CG1-CG1 4.41Å; V1718-I1808 HydrophobicContact CG1-CG2 4.19Å; V1718-I1808 HydrophobicContact CG2-CD1 3.96Å | ||
| 1719 | T | 82.4 | Confident | 82.7 | Confident | 44 Ų | 44 | 31.5 Ų | 31.5 | 27% | 0.27 | 18% | 0.179 | S | C | . | . | trans | -93.5 | 167.3 | 169.9 | 58.8 | 0 | 0 | 0 | 0 | 110.6 | E1721 D1722 F1723 D1758 P1764 | T1719-E1721 VanDerWaalsContact C-N 3.25Å; T1719-E1721 PolarHBondContact O-N 2.93Å; T1719-D1722 PolarHBondContact O-N 2.73Å; T1719-D1722 PolarHBondContact OG1-N 2.95Å; T1719-F1723 WeakPolarHBondContact O-CB 3.3Å; T1719-F1723 PolarHBondContact O-N 2.87Å; T1719-D1758 VanDerWaalsContact CA-OD1 3.28Å; T1719-D1758 WeakPolarHBondContact CA-OD1 3.42Å; T1719-P1764 HydrophobicContact CG2-CB 4.03Å; T1719-P1764 HydrophobicContact CG2-CG 4.07Å | ||
| 1720 | A | 85.5 | Confident | 82.3 | Confident | 5 Ų | 5 | 31.9 Ų | 31.9 | 4% | 0.041 | 18% | 0.182 | C | C | . | . | H | α-helix | trans | -56.1 | -44.3 | 175 | 0 | 0 | 0 | 0 | 0 | 111.1 | F1723 V1724 I1756 D1758 L1766 V1840 | A1720-F1723 PolarHBondContact O-N 3.17Å; A1720-V1724 PolarHBondContact O-N 3.49Å; A1720-I1756 HydrophobicContact CB-CG2 3.93Å; A1720-D1758 WeakPolarHBondContact CB-OD2 3.26Å; A1720-D1758 PolarHBondContact N-OD1 2.7Å; A1720-D1758 PolarHBondContact N-OD2 2.71Å; A1720-L1766 VanDerWaalsContact CA-CD1 3.49Å; A1720-L1766 HydrophobicContact CB-CD1 3.56Å; A1720-V1840 HydrophobicContact CB-CG1 3.73Å; A1720-V1840 HydrophobicContact CB-CG2 4.03Å; A1720-V1840 WeakPolarHBondContact O-CG1 3.05Å |
| 1721 | E | 80.8 | Confident | 82.1 | Confident | 66 Ų | 66 | 31.4 Ų | 31.4 | 31% | 0.308 | 18% | 0.179 | S | C | . | . | H | α-helix | trans | -62.6 | -50.2 | -179.4 | -150.7 | -146.6 | 148.4 | 0 | 0 | 111.9 | T1719 F1723 V1724 R1725 N1841 | T1719-E1721 VanDerWaalsContact C-N 3.25Å; T1719-E1721 PolarHBondContact O-N 2.93Å; E1721-F1723 VanDerWaalsContact C-N 3.28Å; E1721-F1723 PolarHBondContact O-N 2.78Å; E1721-V1724 PolarHBondContact O-N 3.11Å; E1721-R1725 WeakPolarHBondContact O-CB 3.22Å; E1721-R1725 PolarHBondContact O-N 2.61Å; E1721-R1725 IonicContact OE1-CZ 2.68Å; E1721-R1725 VanDerWaalsContact OE1-CZ 3.28Å; E1721-R1725 IonicContact OE1-NE 2.78Å; E1721-R1725 PolarHBondContact OE1-NE 2.68Å; E1721-R1725 IonicContact OE1-NH2 3.29Å; E1721-R1725 PolarHBondContact OE1-NH2 2.89Å; E1721-R1725 IonicContact OE2-CZ 3.13Å; E1721-R1725 IonicContact OE2-NH2 2.72Å; E1721-R1725 PolarHBondContact OE2-NH2 2.82Å; E1721-N1841 WeakPolarHBondContact CG-O 3.41Å |
| 1722 | D | 80.6 | Confident | 81.9 | Confident | 37 Ų | 37 | 31.4 Ų | 31.4 | 20% | 0.198 | 18% | 0.179 | C | C | . | . | H | α-helix | trans | -68.8 | -24 | 179.2 | -87.6 | -48.7 | 0 | 0 | 0 | 113 | V1718 T1719 R1725 | V1718-D1722 HydrophobicContact CG2-CB 3.71Å; T1719-D1722 PolarHBondContact O-N 2.73Å; T1719-D1722 PolarHBondContact OG1-N 2.95Å; D1722-R1725 IonicContact OD1-CZ 3.25Å; D1722-R1725 IonicContact OD1-NE 2.72Å; D1722-R1725 IonicContact OD1-NH1 3.52Å; D1722-R1725 PolarHBondContact OD1-NH1 2.85Å; D1722-R1725 IonicContact OD2-NH1 3.61Å |
| 1723 | F | 87.9 | Confident | 81.8 | Confident | 0 Ų | 0 | 31.7 Ų | 31.7 | 0% | 0 | 18% | 0.181 | C | C | . | . | H | α-helix | trans | -70.4 | -35 | 175.1 | -173.5 | -112.2 | 0 | 0 | 0 | 112.5 | I1715 V1718 T1719 A1720 E1721 S1732 L1733 F1736 I1756 L1766 L1768 M1798 | I1715-F1723 HydrophobicContact CD1-CD2 3.82Å; I1715-F1723 HydrophobicContact CD1-CE2 3.69Å; I1715-F1723 HydrophobicContact CD1-CZ 4.33Å; V1718-F1723 HydrophobicContact CG1-CB 4.24Å; V1718-F1723 HydrophobicContact CG1-CD2 4.17Å; V1718-F1723 HydrophobicContact CG2-CB 4.11Å; T1719-F1723 WeakPolarHBondContact O-CB 3.3Å; T1719-F1723 PolarHBondContact O-N 2.87Å; A1720-F1723 PolarHBondContact O-N 3.17Å; E1721-F1723 VanDerWaalsContact C-N 3.28Å; E1721-F1723 PolarHBondContact O-N 2.78Å; F1723-S1732 VanDerWaalsContact CD2-CB 3.49Å; F1723-S1732 PolarHBondContact O-N 3.13Å; F1723-L1733 HydrophobicContact CD1-CB 4Å; F1723-L1733 HydrophobicContact CE1-CB 3.75Å; F1723-L1733 HydrophobicContact CE1-CD1 3.89Å; F1723-L1733 HydrophobicContact CE1-CG 4.38Å; F1723-L1733 HydrophobicContact CZ-CB 4.22Å; F1723-L1733 HydrophobicContact CZ-CD1 4.47Å; F1723-L1733 PolarHBondContact O-N 2.71Å; F1723-F1736 HydrophobicContact CZ-CB 4.19Å; F1723-I1756 HydrophobicContact CD1-CG2 4.49Å; F1723-L1766 HydrophobicContact CB-CD2 3.81Å; F1723-L1766 HydrophobicContact CD1-CD2 3.82Å; F1723-L1766 HydrophobicContact CD2-CD2 4.34Å; F1723-L1766 HydrophobicContact CE1-CD2 4.47Å; F1723-L1766 HydrophobicContact CG-CD2 3.74Å; F1723-L1768 HydrophobicContact CD1-CD2 4.15Å; F1723-L1768 HydrophobicContact CE1-CD1 3.86Å; F1723-L1768 HydrophobicContact CE1-CD2 3.69Å; F1723-L1768 HydrophobicContact CE1-CG 4.46Å; F1723-L1768 HydrophobicContact CE2-CD1 4.46Å; F1723-L1768 HydrophobicContact CZ-CD1 3.68Å; F1723-L1768 HydrophobicContact CZ-CD2 4.38Å; F1723-M1798 HydrophobicContact CE2-CG 4.47Å; F1723-M1798 HydrophobicContact CE2-SD 3.89Å; F1723-M1798 HydrophobicContact CZ-SD 4.47Å |
| 1724 | V | 86 | Confident | 81.6 | Confident | 2 Ų | 2 | 33.6 Ų | 33.6 | 1% | 0.012 | 19% | 0.191 | C | C | . | . | H | α-helix | trans | -90.5 | -28.4 | 178.6 | 175.2 | 0 | 0 | 0 | 0 | 112.7 | A1720 E1721 P1726 S1731 L1733 I1756 V1840 S1845 V1847 | A1720-V1724 PolarHBondContact O-N 3.49Å; E1721-V1724 PolarHBondContact O-N 3.11Å; V1724-P1726 WeakPolarHBondContact O-CD 3.03Å; V1724-S1731 WeakPolarHBondContact O-CB 3.35Å; V1724-L1733 HydrophobicContact CG2-CD2 4.2Å; V1724-I1756 HydrophobicContact CG2-CD1 3.98Å; V1724-V1840 HydrophobicContact CB-CG1 4Å; V1724-V1840 HydrophobicContact CG2-CB 4.21Å; V1724-V1840 HydrophobicContact CG2-CG1 3.62Å; V1724-S1845 WeakPolarHBondContact CG1-O 3.13Å; V1724-V1847 HydrophobicContact CG1-CG2 3.85Å; V1724-V1847 HydrophobicContact CG2-CB 4.47Å; V1724-V1847 HydrophobicContact CG2-CG2 4.05Å |
| 1725 | R | 81 | Confident | 81.5 | Confident | 73 Ų | 73 | 32.1 Ų | 32.1 | 28% | 0.275 | 19% | 0.186 | S | C | . | . | S | Bend | trans | -64 | 120.3 | -178.3 | -175.5 | -173.6 | -76 | 167.6 | -16.8 | 111.3 | E1721 D1722 V1727 | E1721-R1725 WeakPolarHBondContact O-CB 3.22Å; E1721-R1725 PolarHBondContact O-N 2.61Å; E1721-R1725 IonicContact OE1-CZ 2.68Å; E1721-R1725 VanDerWaalsContact OE1-CZ 3.28Å; E1721-R1725 IonicContact OE1-NE 2.78Å; E1721-R1725 PolarHBondContact OE1-NE 2.68Å; E1721-R1725 IonicContact OE1-NH2 3.29Å; E1721-R1725 PolarHBondContact OE1-NH2 2.89Å; E1721-R1725 IonicContact OE2-CZ 3.13Å; E1721-R1725 IonicContact OE2-NH2 2.72Å; E1721-R1725 PolarHBondContact OE2-NH2 2.82Å; D1722-R1725 IonicContact OD1-CZ 3.25Å; D1722-R1725 IonicContact OD1-NE 2.72Å; D1722-R1725 IonicContact OD1-NH1 3.52Å; D1722-R1725 PolarHBondContact OD1-NH1 2.85Å; D1722-R1725 IonicContact OD2-NH1 3.61Å; R1725-V1727 PolarHBondContact O-N 2.99Å |
| 1726 | P | 75.3 | Confident | 81.6 | Confident | 41 Ų | 41 | 32.1 Ų | 32.1 | 27% | 0.266 | 19% | 0.186 | S | C | . | . | trans | -76.3 | 127.5 | -178.2 | 29.3 | -33.8 | 0 | 0 | 0 | 112.2 | V1724 | V1724-P1726 WeakPolarHBondContact O-CD 3.03Š| ||
| 1727 | V | 69.5 | Low | 82 | Confident | 31 Ų | 31 | 31.5 Ų | 31.5 | 19% | 0.188 | 18% | 0.182 | C | C | . | . | B | Isolated β-bridge | trans | -111 | 132.1 | 174 | -175.8 | 0 | 0 | 0 | 0 | 108.9 | R1725 G1729 V1730 L1801 | R1725-V1727 PolarHBondContact O-N 2.99Å; V1727-G1729 PolarHBondContact O-N 2.89Å; V1727-V1730 PolarHBondContact N-O 3.39Å; V1727-V1730 PolarHBondContact O-N 3Å; V1727-L1801 HydrophobicContact CB-CB 4.12Å; V1727-L1801 HydrophobicContact CB-CD2 4.06Å; V1727-L1801 HydrophobicContact CG1-CB 4.3Å; V1727-L1801 WeakPolarHBondContact CG1-O 3.42Å; V1727-L1801 HydrophobicContact CG2-CB 4.44Å; V1727-L1801 HydrophobicContact CG2-CD1 4.24Å; V1727-L1801 HydrophobicContact CG2-CD2 4.31Å |
| 1728 | D | 67.1 | Low | 82.3 | Confident | 127 Ų | 127 | 35.1 Ų | 35.1 | 68% | 0.679 | 19% | 0.192 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 49.3 | 25 | -169.4 | -68 | -32.2 | 0 | 0 | 0 | 113.8 | ||
| 1729 | G | 68.9 | Low | 82.5 | Confident | 63 Ų | 63 | 36.3 Ų | 36.3 | 65% | 0.649 | 20% | 0.2 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 93 | 6.1 | 179.3 | 0 | 0 | 0 | 0 | 0 | 116.1 | V1727 | V1727-G1729 PolarHBondContact O-N 2.89Š|
| 1730 | V | 77.2 | Confident | 82.9 | Confident | 41 Ų | 41 | 34.4 Ų | 34.4 | 25% | 0.248 | 19% | 0.188 | C | C | . | . | B | Isolated β-bridge | trans | -139.1 | 131.6 | 178.5 | -172.2 | 0 | 0 | 0 | 0 | 110.5 | V1727 D1734 K1735 L1801 | V1727-V1730 PolarHBondContact N-O 3.39Å; V1727-V1730 PolarHBondContact O-N 3Å; V1730-D1734 HydrophobicContact CG1-CB 3.62Å; V1730-K1735 HydrophobicContact CG1-CD 4.44Å; V1730-K1735 HydrophobicContact CG1-CG 3.89Å; V1730-L1801 WeakPolarHBondContact O-CD2 3.4Å |
| 1731 | S | 85.3 | Confident | 82.9 | Confident | 4 Ų | 4 | 34.2 Ų | 34.2 | 3% | 0.028 | 19% | 0.187 | C | C | . | . | trans | -84.5 | 172.3 | 175.5 | 68 | 0 | 0 | 0 | 0 | 112.5 | V1724 D1734 | V1724-S1731 WeakPolarHBondContact O-CB 3.35Å; S1731-D1734 WeakPolarHBondContact CB-OD2 3.41Å; S1731-D1734 PolarHBondContact N-OD2 3Å; S1731-D1734 PolarHBondContact OG-N 3.42Å; S1731-D1734 PolarHBondContact OG-OD2 2.79Å | ||
| 1732 | S | 86.5 | Confident | 83.1 | Confident | 0 Ų | 0 | 37 Ų | 37 | 0% | 0 | 20% | 0.203 | C | C | . | . | H | α-helix | trans | -73.1 | -32.6 | 170.6 | -67.2 | 0 | 0 | 0 | 0 | 111.7 | F1723 D1734 K1735 F1736 M1798 L1801 | F1723-S1732 VanDerWaalsContact CD2-CB 3.49Å; F1723-S1732 PolarHBondContact O-N 3.13Å; S1732-D1734 PolarHBondContact O-N 3.4Å; S1732-K1735 PolarHBondContact O-N 3.22Å; S1732-F1736 PolarHBondContact O-N 2.82Å; S1732-M1798 PolarHBondContact OG-O 2.76Å; S1732-L1801 WeakPolarHBondContact OG-CD1 3.3Å |
| 1733 | L | 89 | Confident | 83.1 | Confident | 12 Ų | 12 | 36.9 Ų | 36.9 | 6% | 0.063 | 21% | 0.208 | C | C | . | . | H | α-helix | trans | -57.2 | -45.7 | 170.5 | 172.5 | 61.4 | 0 | 0 | 0 | 112.4 | F1723 V1724 K1735 F1736 R1737 V1753 I1756 V1847 | F1723-L1733 HydrophobicContact CD1-CB 4Å; F1723-L1733 HydrophobicContact CE1-CB 3.75Å; F1723-L1733 HydrophobicContact CE1-CD1 3.89Å; F1723-L1733 HydrophobicContact CE1-CG 4.38Å; F1723-L1733 HydrophobicContact CZ-CB 4.22Å; F1723-L1733 HydrophobicContact CZ-CD1 4.47Å; F1723-L1733 PolarHBondContact O-N 2.71Å; V1724-L1733 HydrophobicContact CG2-CD2 4.2Å; L1733-K1735 VanDerWaalsContact C-N 3.27Å; L1733-K1735 PolarHBondContact O-N 3.35Å; L1733-F1736 PolarHBondContact O-N 2.81Å; L1733-R1737 HydrophobicContact CD1-CG 4.21Å; L1733-R1737 WeakPolarHBondContact O-CG 3.45Å; L1733-R1737 PolarHBondContact O-N 2.82Å; L1733-V1753 HydrophobicContact CD1-CB 3.81Å; L1733-V1753 HydrophobicContact CD1-CG1 3.93Å; L1733-V1753 HydrophobicContact CD1-CG2 3.83Å; L1733-I1756 HydrophobicContact CD2-CD1 4.11Å; L1733-V1847 HydrophobicContact CD2-CG2 3.76Å |
| 1734 | D | 85.3 | Confident | 82.9 | Confident | 40 Ų | 40 | 38.5 Ų | 38.5 | 21% | 0.214 | 22% | 0.216 | C | C | . | . | H | α-helix | trans | -58.1 | -40.5 | 176.7 | -67.3 | -54 | 0 | 0 | 0 | 111.8 | V1730 S1731 S1732 R1737 R1738 | V1730-D1734 HydrophobicContact CG1-CB 3.62Å; S1731-D1734 WeakPolarHBondContact CB-OD2 3.41Å; S1731-D1734 PolarHBondContact N-OD2 3Å; S1731-D1734 PolarHBondContact OG-N 3.42Å; S1731-D1734 PolarHBondContact OG-OD2 2.79Å; S1732-D1734 PolarHBondContact O-N 3.4Å; D1734-R1737 PolarHBondContact O-N 2.92Å; D1734-R1738 WeakPolarHBondContact O-CB 3.24Å; D1734-R1738 WeakPolarHBondContact O-CG 3.46Å; D1734-R1738 PolarHBondContact O-N 2.82Å; D1734-R1738 IonicContact OD1-NH2 2.8Å |
| 1735 | K | 86.6 | Confident | 82.7 | Confident | 37 Ų | 37 | 43.8 Ų | 43.8 | 16% | 0.161 | 25% | 0.254 | C | S | . | . | H | α-helix | trans | -73.7 | -35.5 | -179 | -65.2 | 177.5 | -165.3 | 168.2 | 0 | 112 | V1730 S1732 L1733 T1739 A1797 D1800 | V1730-K1735 HydrophobicContact CG1-CD 4.44Å; V1730-K1735 HydrophobicContact CG1-CG 3.89Å; S1732-K1735 PolarHBondContact O-N 3.22Å; L1733-K1735 VanDerWaalsContact C-N 3.27Å; L1733-K1735 PolarHBondContact O-N 3.35Å; K1735-T1739 WeakPolarHBondContact O-CB 3.46Å; K1735-T1739 PolarHBondContact O-N 3.27Å; K1735-T1739 PolarHBondContact O-OG1 3.28Å; K1735-A1797 HydrophobicContact CB-CB 4.34Å; K1735-A1797 WeakPolarHBondContact CD-O 3.28Å; K1735-D1800 PolarHBondContact NZ-O 2.7Å |
| 1736 | F | 92.2 | Very high | 82.9 | Confident | 0 Ų | 0 | 41.9 Ų | 41.9 | 0% | 0 | 25% | 0.248 | C | C | . | . | H | α-helix | trans | -60.3 | -51.1 | 169.4 | 178.4 | -98.1 | 0 | 0 | 0 | 111.1 | L1713 F1723 S1732 L1733 R1738 T1739 L1740 V1753 F1770 L1787 L1794 M1798 | L1713-F1736 HydrophobicContact CD2-CD2 4.4Å; L1713-F1736 HydrophobicContact CD2-CE2 3.51Å; L1713-F1736 HydrophobicContact CD2-CZ 3.94Å; F1723-F1736 HydrophobicContact CZ-CB 4.19Å; S1732-F1736 PolarHBondContact O-N 2.82Å; L1733-F1736 PolarHBondContact O-N 2.81Å; F1736-R1738 PolarHBondContact O-N 3.23Å; F1736-T1739 PolarHBondContact O-N 2.84Å; F1736-L1740 HydrophobicContact CE1-CD2 4.28Å; F1736-L1740 HydrophobicContact CZ-CD2 4.2Å; F1736-L1740 WeakPolarHBondContact O-CB 3.44Å; F1736-L1740 PolarHBondContact O-N 2.68Å; F1736-L1740 VanDerWaalsContact O-N 3.07Å; F1736-V1753 HydrophobicContact CD1-CG2 3.96Å; F1736-V1753 HydrophobicContact CE1-CG2 3.88Å; F1736-F1770 HydrophobicContact CE1-CD1 4.26Å; F1736-F1770 HydrophobicContact CE1-CE1 4.43Å; F1736-F1770 HydrophobicContact CE1-CG 4.43Å; F1736-F1770 HydrophobicContact CZ-CD1 4.13Å; F1736-F1770 AromaticContact CZ-CE1 3.87Å; F1736-F1770 HydrophobicContact CZ-CE1 3.87Å; F1736-F1770 HydrophobicContact CZ-CZ 4.16Å; F1736-L1787 HydrophobicContact CE2-CD2 3.9Å; F1736-L1787 HydrophobicContact CZ-CD2 4.1Å; F1736-L1794 HydrophobicContact CD2-CD2 3.97Å; F1736-L1794 HydrophobicContact CE2-CD2 4.23Å; F1736-M1798 HydrophobicContact CB-CG 4.4Å; F1736-M1798 HydrophobicContact CB-SD 4.33Å; F1736-M1798 HydrophobicContact CD2-SD 4.07Å |
| 1737 | R | 90.6 | Very high | 83.2 | Confident | 24 Ų | 24 | 43.4 Ų | 43.4 | 9% | 0.091 | 26% | 0.258 | C | S | . | . | H | α-helix | trans | -57.3 | -46.6 | 176.8 | -68.8 | -179.1 | 89.3 | 178.1 | 8.4 | 111.7 | Y1619 L1733 D1734 A1741 E1748 V1751 V1753 | Y1619-R1737 PolarHBondContact OH-NH2 3.15Å; L1733-R1737 HydrophobicContact CD1-CG 4.21Å; L1733-R1737 WeakPolarHBondContact O-CG 3.45Å; L1733-R1737 PolarHBondContact O-N 2.82Å; D1734-R1737 PolarHBondContact O-N 2.92Å; R1737-A1741 WeakPolarHBondContact O-CB 3.26Å; R1737-A1741 PolarHBondContact O-N 2.5Å; R1737-E1748 HydrophobicContact CB-CG 3.93Å; R1737-V1751 HydrophobicContact CB-CG1 4.49Å; R1737-V1751 HydrophobicContact CG-CB 4.5Å; R1737-V1751 HydrophobicContact CG-CG1 4.19Å; R1737-V1751 PolarHBondContact NE-O 2.69Å; R1737-V1751 PolarHBondContact NH2-O 2.94Å; R1737-V1753 HydrophobicContact CG-CG2 4.12Å |
| 1738 | R | 87.6 | Confident | 83.6 | Confident | 88 Ų | 88 | 44.9 Ų | 44.9 | 33% | 0.332 | 26% | 0.263 | S | S | . | . | H | α-helix | trans | -62.3 | -53.5 | 178.4 | -74.8 | 175.9 | -168.5 | 124.1 | 36.4 | 113 | D1734 F1736 L1740 A1741 D1742 E1748 | D1734-R1738 WeakPolarHBondContact O-CB 3.24Å; D1734-R1738 WeakPolarHBondContact O-CG 3.46Å; D1734-R1738 PolarHBondContact O-N 2.82Å; D1734-R1738 IonicContact OD1-NH2 2.8Å; F1736-R1738 PolarHBondContact O-N 3.23Å; R1738-L1740 VanDerWaalsContact C-N 3.29Å; R1738-L1740 PolarHBondContact O-N 2.91Å; R1738-A1741 PolarHBondContact O-N 3.19Å; R1738-A1741 VanDerWaalsContact O-N 3.11Å; R1738-D1742 WeakPolarHBondContact O-CB 3.38Å; R1738-D1742 PolarHBondContact O-N 3.13Å; R1738-E1748 HydrophobicContact CG-CG 3.93Å; R1738-E1748 WeakPolarHBondContact CG-OE2 3.35Å; R1738-E1748 IonicContact CZ-OE1 2.79Å; R1738-E1748 VanDerWaalsContact CZ-OE1 3.29Å; R1738-E1748 IonicContact CZ-OE2 3.14Å; R1738-E1748 VanDerWaalsContact NE-CD 3.27Å; R1738-E1748 IonicContact NE-OE1 2.66Å; R1738-E1748 PolarHBondContact NE-OE1 2.99Å; R1738-E1748 VanDerWaalsContact NE-OE1 3.12Å; R1738-E1748 IonicContact NE-OE2 3.73Å; R1738-E1748 PolarHBondContact NE-OE2 3.35Å; R1738-E1748 IonicContact NH2-OE1 2.76Å; R1738-E1748 PolarHBondContact NH2-OE1 3.27Å; R1738-E1748 IonicContact NH2-OE2 2.68Å |
| 1739 | T | 87.9 | Confident | 84.2 | Confident | 28 Ų | 28 | 41.5 Ų | 41.5 | 17% | 0.172 | 25% | 0.253 | C | S | . | . | H | α-helix | trans | -61.9 | -39 | -175.6 | -51.6 | 0 | 0 | 0 | 0 | 111.3 | K1735 F1736 A1743 E1793 L1794 A1797 | K1735-T1739 WeakPolarHBondContact O-CB 3.46Å; K1735-T1739 PolarHBondContact O-N 3.27Å; K1735-T1739 PolarHBondContact O-OG1 3.28Å; F1736-T1739 PolarHBondContact O-N 2.84Å; T1739-A1743 VanDerWaalsContact O-CB 3.29Å; T1739-A1743 WeakPolarHBondContact O-CB 3.27Å; T1739-A1743 PolarHBondContact O-N 2.94Å; T1739-A1743 VanDerWaalsContact O-N 3.1Å; T1739-E1793 HydrophobicContact CG2-CB 4.43Å; T1739-L1794 HydrophobicContact CG2-CD2 3.73Å; T1739-L1794 HydrophobicContact CG2-CG 4.11Å; T1739-A1797 WeakPolarHBondContact OG1-CB 3.37Å |
| 1740 | L | 89.5 | Confident | 85 | Confident | 3 Ų | 3 | 41.8 Ų | 41.8 | 2% | 0.016 | 24% | 0.236 | C | C | . | . | H | α-helix | trans | -70.7 | -39.1 | 174.5 | -178.5 | 58 | 0 | 0 | 0 | 112.8 | F1736 R1738 A1743 L1744 V1751 F1770 V1772 | F1736-L1740 HydrophobicContact CE1-CD2 4.28Å; F1736-L1740 HydrophobicContact CZ-CD2 4.2Å; F1736-L1740 WeakPolarHBondContact O-CB 3.44Å; F1736-L1740 PolarHBondContact O-N 2.68Å; F1736-L1740 VanDerWaalsContact O-N 3.07Å; R1738-L1740 VanDerWaalsContact C-N 3.29Å; R1738-L1740 PolarHBondContact O-N 2.91Å; L1740-A1743 PolarHBondContact O-N 2.86Å; L1740-L1744 HydrophobicContact CD1-CD1 4.16Å; L1740-L1744 HydrophobicContact CG-CD1 4.37Å; L1740-L1744 WeakPolarHBondContact O-CB 3.14Å; L1740-L1744 PolarHBondContact O-N 2.71Å; L1740-L1744 VanDerWaalsContact O-N 3.08Å; L1740-V1751 HydrophobicContact CD2-CG1 3.87Å; L1740-V1751 HydrophobicContact CD2-CG2 4.4Å; L1740-V1751 HydrophobicContact CG-CG2 4.31Å; L1740-F1770 HydrophobicContact CD2-CD2 3.99Å; L1740-F1770 HydrophobicContact CD2-CE2 3.47Å; L1740-F1770 VanDerWaalsContact CD2-CE2 3.47Å; L1740-F1770 HydrophobicContact CD2-CZ 4.06Å; L1740-V1772 HydrophobicContact CD2-CG2 4.21Å |
| 1741 | A | 86.9 | Confident | 85.6 | Confident | 2 Ų | 2 | 39.9 Ų | 39.9 | 2% | 0.017 | 23% | 0.225 | C | C | . | . | H | α-helix | trans | -67.4 | -41.2 | 177.7 | 0 | 0 | 0 | 0 | 0 | 112.6 | R1737 R1738 L1744 S1745 I1746 V1751 | R1737-A1741 WeakPolarHBondContact O-CB 3.26Å; R1737-A1741 PolarHBondContact O-N 2.5Å; R1738-A1741 PolarHBondContact O-N 3.19Å; R1738-A1741 VanDerWaalsContact O-N 3.11Å; A1741-L1744 CarbonylContact O-C 3.57Å; A1741-L1744 PolarHBondContact O-N 3.05Å; A1741-S1745 WeakPolarHBondContact O-CA 3.33Å; A1741-S1745 PolarHBondContact O-N 2.91Å; A1741-I1746 HydrophobicContact CB-CG1 4.02Å; A1741-I1746 PolarHBondContact O-N 2.8Å; A1741-V1751 HydrophobicContact CB-CG2 3.99Å |
| 1742 | D | 83.6 | Confident | 85.7 | Confident | 123 Ų | 123 | 40 Ų | 40 | 66% | 0.658 | 23% | 0.225 | S | C | * | . | H | α-helix | trans | -61.8 | -46.4 | 172.9 | -76.9 | -32.2 | 0 | 0 | 0 | 110.8 | R1738 L1744 S1745 | R1738-D1742 WeakPolarHBondContact O-CB 3.38Å; R1738-D1742 PolarHBondContact O-N 3.13Å; D1742-L1744 PolarHBondContact O-N 3.35Å; D1742-S1745 PolarHBondContact O-N 2.84Å |
| 1743 | A | 81.4 | Confident | 85.9 | Confident | 36 Ų | 36 | 40 Ų | 40 | 30% | 0.298 | 23% | 0.225 | S | C | . | . | H | α-helix | trans | -62.4 | -23.3 | 176.6 | 0 | 0 | 0 | 0 | 0 | 114.1 | T1739 L1740 | T1739-A1743 VanDerWaalsContact O-CB 3.29Å; T1739-A1743 WeakPolarHBondContact O-CB 3.27Å; T1739-A1743 PolarHBondContact O-N 2.94Å; T1739-A1743 VanDerWaalsContact O-N 3.1Å; L1740-A1743 PolarHBondContact O-N 2.86Å |
| 1744 | L | 83.9 | Confident | 86 | Confident | 33 Ų | 33 | 39.4 Ų | 39.4 | 17% | 0.173 | 22% | 0.222 | C | C | . | . | H | α-helix | trans | -97.2 | -8.1 | 172.4 | -82.6 | 167.5 | 0 | 0 | 0 | 114 | L1740 A1741 D1742 I1746 V1772 L1783 L1786 | L1740-L1744 HydrophobicContact CD1-CD1 4.16Å; L1740-L1744 HydrophobicContact CG-CD1 4.37Å; L1740-L1744 WeakPolarHBondContact O-CB 3.14Å; L1740-L1744 PolarHBondContact O-N 2.71Å; L1740-L1744 VanDerWaalsContact O-N 3.08Å; A1741-L1744 CarbonylContact O-C 3.57Å; A1741-L1744 PolarHBondContact O-N 3.05Å; D1742-L1744 PolarHBondContact O-N 3.35Å; L1744-I1746 VanDerWaalsContact C-N 3.32Å; L1744-I1746 HydrophobicContact CB-CD1 3.84Å; L1744-I1746 HydrophobicContact CB-CG1 3.78Å; L1744-I1746 HydrophobicContact CB-CG2 4.28Å; L1744-I1746 HydrophobicContact CD1-CD1 3.92Å; L1744-I1746 PolarHBondContact O-N 2.82Å; L1744-V1772 HydrophobicContact CD1-CB 4.37Å; L1744-V1772 HydrophobicContact CD1-CG1 3.74Å; L1744-V1772 HydrophobicContact CD1-CG2 4.43Å; L1744-L1783 HydrophobicContact CD1-CD2 3.92Å; L1744-L1786 HydrophobicContact CD1-CD1 4.41Å; L1744-L1786 HydrophobicContact CD2-CD1 3.36Å; L1744-L1786 HydrophobicContact CG-CD1 3.8Å |
| 1745 | S | 81.7 | Confident | 86.4 | Confident | 114 Ų | 114 | 37.5 Ų | 37.5 | 80% | 0.797 | 21% | 0.212 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 54.2 | 43 | -172 | -60 | 0 | 0 | 0 | 0 | 113.9 | A1741 D1742 | A1741-S1745 WeakPolarHBondContact O-CA 3.33Å; A1741-S1745 PolarHBondContact O-N 2.91Å; D1742-S1745 PolarHBondContact O-N 2.84Å |
| 1746 | I | 85.6 | Confident | 86.6 | Confident | 33 Ų | 33 | 35.9 Ų | 35.9 | 17% | 0.169 | 21% | 0.205 | C | C | . | . | S | Bend | trans | -120.6 | 165.8 | 178.6 | 61.3 | 177.9 | 0 | 0 | 0 | 111.2 | A1741 L1744 F1750 V1751 V1772 | A1741-I1746 HydrophobicContact CB-CG1 4.02Å; A1741-I1746 PolarHBondContact O-N 2.8Å; L1744-I1746 VanDerWaalsContact C-N 3.32Å; L1744-I1746 HydrophobicContact CB-CD1 3.84Å; L1744-I1746 HydrophobicContact CB-CG1 3.78Å; L1744-I1746 HydrophobicContact CB-CG2 4.28Å; L1744-I1746 HydrophobicContact CD1-CD1 3.92Å; L1744-I1746 PolarHBondContact O-N 2.82Å; I1746-F1750 HydrophobicContact CB-CD2 4.46Å; I1746-F1750 HydrophobicContact CD1-CB 4.14Å; I1746-V1751 HydrophobicContact CD1-CG2 4.08Å; I1746-V1772 HydrophobicContact CD1-CG1 3.2Å |
| 1747 | P | 80 | Confident | 86.5 | Confident | 72 Ų | 72 | 38.1 Ų | 38.1 | 47% | 0.468 | 22% | 0.216 | S | C | . | . | trans | -63.4 | 141.8 | 168.8 | -20.8 | 33.7 | 0 | 0 | 0 | 112.6 | A1749 F1750 | P1747-A1749 PolarHBondContact O-N 2.82Å; P1747-A1749 VanDerWaalsContact O-N 3.11Å; P1747-F1750 HydrophobicContact CG-CD2 4.24Å; P1747-F1750 HydrophobicContact CG-CE2 4.15Å; P1747-F1750 HydrophobicContact CG-CZ 4.34Å; P1747-F1750 PolarHBondContact O-N 2.67Å | ||
| 1748 | E | 79.3 | Confident | 86.1 | Confident | 62 Ų | 62 | 41 Ų | 41 | 29% | 0.29 | 23% | 0.233 | S | C | . | . | G | 310 helix | trans | -49.7 | -36 | 174.5 | -174.7 | -179.4 | 164.2 | 0 | 0 | 113.2 | R1737 R1738 F1750 V1751 | R1737-E1748 HydrophobicContact CB-CG 3.93Å; R1738-E1748 HydrophobicContact CG-CG 3.93Å; R1738-E1748 WeakPolarHBondContact CG-OE2 3.35Å; R1738-E1748 IonicContact CZ-OE1 2.79Å; R1738-E1748 VanDerWaalsContact CZ-OE1 3.29Å; R1738-E1748 IonicContact CZ-OE2 3.14Å; R1738-E1748 VanDerWaalsContact NE-CD 3.27Å; R1738-E1748 IonicContact NE-OE1 2.66Å; R1738-E1748 PolarHBondContact NE-OE1 2.99Å; R1738-E1748 VanDerWaalsContact NE-OE1 3.12Å; R1738-E1748 IonicContact NE-OE2 3.73Å; R1738-E1748 PolarHBondContact NE-OE2 3.35Å; R1738-E1748 IonicContact NH2-OE1 2.76Å; R1738-E1748 PolarHBondContact NH2-OE1 3.27Å; R1738-E1748 IonicContact NH2-OE2 2.68Å; E1748-F1750 PolarHBondContact O-N 3.38Å; E1748-V1751 PolarHBondContact O-N 2.94Å |
| 1749 | A | 79 | Confident | 85.8 | Confident | 57 Ų | 57 | 38.7 Ų | 38.7 | 47% | 0.471 | 23% | 0.233 | S | C | . | . | G | 310 helix | trans | -65.7 | -16.7 | 178.5 | 0 | 0 | 0 | 0 | 0 | 114.7 | P1747 | P1747-A1749 PolarHBondContact O-N 2.82Å; P1747-A1749 VanDerWaalsContact O-N 3.11Å |
| 1750 | F | 86.6 | Confident | 84.9 | Confident | 69 Ų | 69 | 39.2 Ų | 39.2 | 30% | 0.303 | 24% | 0.244 | S | C | . | . | G | 310 helix | trans | -87.8 | -5 | 179.2 | -70.1 | 1.4 | 0 | 0 | 0 | 113.5 | I1746 P1747 E1748 V1772 H1773 | I1746-F1750 HydrophobicContact CB-CD2 4.46Å; I1746-F1750 HydrophobicContact CD1-CB 4.14Å; P1747-F1750 HydrophobicContact CG-CD2 4.24Å; P1747-F1750 HydrophobicContact CG-CE2 4.15Å; P1747-F1750 HydrophobicContact CG-CZ 4.34Å; P1747-F1750 PolarHBondContact O-N 2.67Å; E1748-F1750 PolarHBondContact O-N 3.38Å; F1750-V1772 WeakPolarHBondContact O-CA 3.31Å; F1750-V1772 WeakPolarHBondContact O-CG1 2.98Å; F1750-H1773 AromaticContact CD1-CE1 3.27Å; F1750-H1773 WeakPolarHBondContact CD1-CE1 3.5Å; F1750-H1773 AromaticContact CD1-ND1 3.84Å; F1750-H1773 AromaticContact CD1-NE2 3.98Å; F1750-H1773 AromaticContact CE1-CE1 3.8Å; F1750-H1773 AromaticContact CG-CE1 3.65Å; F1750-H1773 AromaticContact CG-ND1 3.8Å; F1750-H1773 PolarHBondContact O-CD2 3.33Å; F1750-H1773 PolarHBondContact O-N 3.03Å; F1750-H1773 VanDerWaalsContact O-N 3.08Å |
| 1751 | V | 88.9 | Confident | 83.3 | Confident | 0 Ų | 0 | 41.5 Ų | 41.5 | 0% | 0 | 27% | 0.269 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.5 | 107 | 170.8 | 178.1 | 0 | 0 | 0 | 0 | 107.9 | R1737 L1740 A1741 I1746 E1748 V1753 V1772 | R1737-V1751 HydrophobicContact CB-CG1 4.49Å; R1737-V1751 HydrophobicContact CG-CB 4.5Å; R1737-V1751 HydrophobicContact CG-CG1 4.19Å; R1737-V1751 PolarHBondContact NE-O 2.69Å; R1737-V1751 PolarHBondContact NH2-O 2.94Å; L1740-V1751 HydrophobicContact CD2-CG1 3.87Å; L1740-V1751 HydrophobicContact CD2-CG2 4.4Å; L1740-V1751 HydrophobicContact CG-CG2 4.31Å; A1741-V1751 HydrophobicContact CB-CG2 3.99Å; I1746-V1751 HydrophobicContact CD1-CG2 4.08Å; E1748-V1751 PolarHBondContact O-N 2.94Å; V1751-V1753 HydrophobicContact CG1-CG2 4.2Å; V1751-V1772 HydrophobicContact CG1-CG2 4.32Å; V1751-V1772 HydrophobicContact CG2-CG1 4.03Å; V1751-V1772 HydrophobicContact CG2-CG2 4.25Å |
| 1752 | Q | 88 | Confident | 81.6 | Confident | 7 Ų | 7 | 49.9 Ų | 49.9 | 3% | 0.033 | 31% | 0.307 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.8 | 98.8 | -176.2 | -63.8 | -175.1 | -59.6 | 0 | 0 | 110 | Y1619 E1700 I1702 Y1754 F1770 A1771 H1773 Y1777 | Y1619-Q1752 HydrophobicContact CD1-CB 4.47Å; Y1619-Q1752 HydrophobicContact CE1-CB 3.91Å; Y1619-Q1752 HydrophobicContact CE1-CG 4.17Å; E1700-Q1752 PolarHBondContact OE2-NE2 3.45Å; I1702-Q1752 HydrophobicContact CD1-CB 4.15Å; Q1752-Y1754 WeakPolarHBondContact O-CD1 3.3Å; Q1752-Y1754 PolarHBondContact O-N 2.84Å; Q1752-F1770 CarbonylContact O-C 3.48Å; Q1752-F1770 WeakPolarHBondContact O-CA 3.21Å; Q1752-F1770 WeakPolarHBondContact O-CB 3.23Å; Q1752-A1771 PolarHBondContact N-O 3.17Å; Q1752-A1771 PolarHBondContact O-N 2.71Å; Q1752-H1773 PolarHBondContact OE1-CD2 3.21Å; Q1752-Y1777 PolarHBondContact OE1-OH 2.7Å |
| 1753 | V | 91.3 | Very high | 80.5 | Confident | 0 Ų | 0 | 47.6 Ų | 47.6 | 0% | 0 | 30% | 0.299 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.5 | 90 | 175.6 | -173.5 | 0 | 0 | 0 | 0 | 108.3 | Y1619 L1733 F1736 R1737 V1751 I1756 L1768 F1770 | Y1619-V1753 WeakPolarHBondContact CE2-O 3.45Å; L1733-V1753 HydrophobicContact CD1-CB 3.81Å; L1733-V1753 HydrophobicContact CD1-CG1 3.93Å; L1733-V1753 HydrophobicContact CD1-CG2 3.83Å; F1736-V1753 HydrophobicContact CD1-CG2 3.96Å; F1736-V1753 HydrophobicContact CE1-CG2 3.88Å; R1737-V1753 HydrophobicContact CG-CG2 4.12Å; V1751-V1753 HydrophobicContact CG1-CG2 4.2Å; V1753-I1756 HydrophobicContact CG1-CD1 4.29Å; V1753-I1756 HydrophobicContact CG1-CG1 4.09Å; V1753-L1768 HydrophobicContact CG1-CD2 4.45Å; V1753-F1770 HydrophobicContact CB-CB 4.19Å; V1753-F1770 HydrophobicContact CG1-CB 4.37Å; V1753-F1770 HydrophobicContact CG2-CB 3.91Å |
| 1754 | Y | 90.6 | Very high | 80.2 | Confident | 0 Ų | 0 | 47.5 Ų | 47.5 | 0% | 0 | 30% | 0.295 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -99 | -2.8 | -169.4 | 59.1 | -103.1 | 0 | 0 | 0 | 114.7 | I1702 L1707 T1710 Q1752 Y1769 A1771 G1849 L1850 | I1702-Y1754 HydrophobicContact CD1-CD1 3.84Å; I1702-Y1754 HydrophobicContact CD1-CG 4.22Å; I1702-Y1754 HydrophobicContact CG1-CD1 4.26Å; I1702-Y1754 HydrophobicContact CG1-CG 4.23Å; I1702-Y1754 HydrophobicContact CG2-CD1 4.42Å; I1702-Y1754 HydrophobicContact CG2-CE1 4.49Å; L1707-Y1754 HydrophobicContact CD2-CE2 4.13Å; T1710-Y1754 WeakPolarHBondContact CB-OH 3.25Å; T1710-Y1754 WeakPolarHBondContact CG2-OH 3.46Å; T1710-Y1754 PolarHBondContact OG1-OH 2.83Å; Q1752-Y1754 WeakPolarHBondContact O-CD1 3.3Å; Q1752-Y1754 PolarHBondContact O-N 2.84Å; Y1754-Y1769 PolarHBondContact N-O 3.21Å; Y1754-Y1769 VanDerWaalsContact N-O 3.16Å; Y1754-A1771 HydrophobicContact CE1-CB 3.76Å; Y1754-G1849 CarbonylContact O-C 3.42Å; Y1754-G1849 WeakPolarHBondContact O-CA 3.44Å; Y1754-L1850 HydrophobicContact CD2-CB 4.18Å; Y1754-L1850 HydrophobicContact CD2-CD1 3.76Å; Y1754-L1850 HydrophobicContact CD2-CG 4.11Å; Y1754-L1850 HydrophobicContact CE2-CD1 4.23Å; Y1754-L1850 HydrophobicContact CG-CD1 4.31Å; Y1754-L1850 PolarHBondContact O-N 3.1Å |
| 1755 | S | 92.4 | Very high | 80.1 | Confident | 0 Ų | 0 | 47.4 Ų | 47.4 | 0% | 0 | 29% | 0.293 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -142.2 | 140.6 | 167.3 | -174.8 | 0 | 0 | 0 | 0 | 111.5 | I1757 L1768 Y1769 L1850 | S1755-I1757 WeakPolarHBondContact OG-CG1 3.28Å; S1755-L1768 WeakPolarHBondContact O-CA 3.26Å; S1755-Y1769 PolarHBondContact N-O 3.14Å; S1755-Y1769 VanDerWaalsContact N-O 3.16Å; S1755-Y1769 PolarHBondContact O-N 3.16Å; S1755-L1850 WeakPolarHBondContact CB-O 3.32Å; S1755-L1850 PolarHBondContact OG-O 3.3Å |
| 1756 | I | 92.4 | Very high | 80.4 | Confident | 3 Ų | 3 | 42 Ų | 42 | 2% | 0.015 | 26% | 0.255 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -146.3 | 107.9 | -171.6 | -57.3 | -177.4 | 0 | 0 | 0 | 106.8 | A1720 F1723 V1724 L1733 V1753 L1766 D1767 L1768 V1840 V1847 | A1720-I1756 HydrophobicContact CB-CG2 3.93Å; F1723-I1756 HydrophobicContact CD1-CG2 4.49Å; V1724-I1756 HydrophobicContact CG2-CD1 3.98Å; L1733-I1756 HydrophobicContact CD2-CD1 4.11Å; V1753-I1756 HydrophobicContact CG1-CD1 4.29Å; V1753-I1756 HydrophobicContact CG1-CG1 4.09Å; I1756-L1766 HydrophobicContact CG2-CD1 3.88Å; I1756-L1766 HydrophobicContact CG2-CD2 4.09Å; I1756-L1766 HydrophobicContact CG2-CG 4.31Å; I1756-D1767 WeakPolarHBondContact CA-O 3.5Å; I1756-L1768 HydrophobicContact CB-CD2 4.15Å; I1756-L1768 HydrophobicContact CG1-CD2 3.82Å; I1756-L1768 HydrophobicContact CG2-CD2 3.93Å; I1756-V1840 HydrophobicContact CB-CG2 4.13Å; I1756-V1840 HydrophobicContact CG2-CG2 4.1Å; I1756-V1847 HydrophobicContact CD1-CB 4.4Å; I1756-V1847 HydrophobicContact CD1-CG1 4.12Å |
| 1757 | I | 89.4 | Confident | 80.6 | Confident | 46 Ų | 46 | 41.2 Ų | 41.2 | 24% | 0.236 | 25% | 0.252 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.5 | 120.6 | -167.3 | -43 | -169.6 | 0 | 0 | 0 | 110.9 | S1755 A1759 L1766 D1767 Y1769 I1838 A1852 | S1755-I1757 WeakPolarHBondContact OG-CG1 3.28Å; I1757-A1759 PolarHBondContact O-N 3.13Å; I1757-L1766 CarbonylContact O-C 3.52Å; I1757-L1766 WeakPolarHBondContact O-CA 3.14Å; I1757-L1766 WeakPolarHBondContact O-CD1 3.39Å; I1757-D1767 HydrophobicContact CB-CB 4.49Å; I1757-D1767 PolarHBondContact N-O 2.71Å; I1757-D1767 PolarHBondContact O-N 3.08Å; I1757-Y1769 HydrophobicContact CD1-CE2 4.08Å; I1757-I1838 HydrophobicContact CD1-CD1 3.78Å; I1757-I1838 HydrophobicContact CG1-CD1 3.66Å; I1757-A1852 WeakPolarHBondContact CD1-O 3.37Å |
| 1758 | D | 82.9 | Confident | 81.2 | Confident | 85 Ų | 85 | 37.8 Ų | 37.8 | 46% | 0.455 | 23% | 0.229 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -65.5 | 114.9 | 173.9 | -79.4 | -59.1 | 0 | 0 | 0 | 110.4 | T1719 A1720 G1760 | T1719-D1758 VanDerWaalsContact CA-OD1 3.28Å; T1719-D1758 WeakPolarHBondContact CA-OD1 3.42Å; A1720-D1758 WeakPolarHBondContact CB-OD2 3.26Å; A1720-D1758 PolarHBondContact N-OD1 2.7Å; A1720-D1758 PolarHBondContact N-OD2 2.71Å; D1758-G1760 VanDerWaalsContact C-N 3.35Å |
| 1759 | A | 79.9 | Confident | 81.8 | Confident | 40 Ų | 40 | 35.4 Ų | 35.4 | 33% | 0.331 | 22% | 0.218 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -93.8 | 11.3 | -180 | 0 | 0 | 0 | 0 | 0 | 113.1 | I1757 K1765 | I1757-A1759 PolarHBondContact O-N 3.13Å; A1759-K1765 HydrophobicContact CB-CB 4Å; A1759-K1765 PolarHBondContact N-O 2.77Å |
| 1760 | G | 69.6 | Low | 82.5 | Confident | 38 Ų | 38 | 32.7 Ų | 32.7 | 39% | 0.392 | 20% | 0.195 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | 72.6 | -160.6 | 171.8 | 0 | 0 | 0 | 0 | 0 | 115.7 | D1758 K1765 | D1758-G1760 VanDerWaalsContact C-N 3.35Å; G1760-K1765 WeakPolarHBondContact O-CB 3.11Å; G1760-K1765 PolarHBondContact O-N 2.97Å |
| 1761 | G | 56.3 | Low | 82.7 | Confident | 52 Ų | 52 | 29.4 Ų | 29.4 | 54% | 0.536 | 18% | 0.181 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 79.1 | 176.7 | -177.5 | 0 | 0 | 0 | 0 | 0 | 115 | P1763 P1764 | G1761-P1763 CarbonylContact C-O 3.59Å; G1761-P1764 WeakPolarHBondContact O-CA 3.31Å |
| 1762 | H | 50.4 | Low | 82.8 | Confident | 178 Ų | 178 | 29.4 Ų | 29.4 | 82% | 0.824 | 18% | 0.181 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -138.9 | 116.2 | 172.8 | -91.2 | 48.3 | 0 | 0 | 0 | 109 | ||
| 1763 | P | 62.2 | Low | 82.3 | Confident | 74 Ų | 74 | 31 Ų | 31 | 48% | 0.481 | 19% | 0.188 | S | C | . | . | T | Hydrogen-bonded Turn | cis | -58.6 | 147.4 | -3.3 | -17.8 | 29 | 0 | 0 | 0 | 112.6 | Q1716 G1761 | Q1716-P1763 HydrophobicContact CG-CB 3.88Å; Q1716-P1763 HydrophobicContact CG-CG 4.45Å; Q1716-P1763 PolarHBondContact NE2-O 3.09Å; Q1716-P1763 VanDerWaalsContact NE2-O 3.17Å; G1761-P1763 CarbonylContact C-O 3.59Å |
| 1764 | P | 73.3 | Confident | 81.1 | Confident | 34 Ų | 34 | 32.7 Ų | 32.7 | 22% | 0.221 | 21% | 0.205 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -61.1 | 145.5 | -176.6 | 26.3 | -35.3 | 0 | 0 | 0 | 111.6 | Q1716 G1717 T1719 G1761 | Q1716-P1764 CarbonylContact C-O 3.6Å; Q1716-P1764 WeakPolarHBondContact CA-O 3.33Å; G1717-P1764 PolarHBondContact N-O 3.45Å; T1719-P1764 HydrophobicContact CG2-CB 4.03Å; T1719-P1764 HydrophobicContact CG2-CG 4.07Å; G1761-P1764 WeakPolarHBondContact O-CA 3.31Å |
| 1765 | K | 82 | Confident | 79.7 | Confident | 32 Ų | 32 | 39 Ų | 39 | 14% | 0.139 | 25% | 0.249 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.9 | 152.6 | 177.8 | -58.8 | 178.7 | -173.9 | 178.8 | 0 | 110.8 | I1715 Q1716 A1759 G1760 E1954 | I1715-K1765 CarbonylContact O-C 3.51Å; I1715-K1765 VanDerWaalsContact O-CA 3.24Å; I1715-K1765 WeakPolarHBondContact O-CA 3.43Å; Q1716-K1765 HydrophobicContact CB-CG 4.29Å; Q1716-K1765 HydrophobicContact CG-CG 4.29Å; A1759-K1765 HydrophobicContact CB-CB 4Å; A1759-K1765 PolarHBondContact N-O 2.77Å; G1760-K1765 WeakPolarHBondContact O-CB 3.11Å; G1760-K1765 PolarHBondContact O-N 2.97Å; K1765-E1954 IonicContact NZ-OE1 2.61Å; K1765-E1954 PolarHBondContact NZ-OE1 3.05Å; K1765-E1954 IonicContact NZ-OE2 2.73Å; K1765-E1954 PolarHBondContact NZ-OE2 2.88Å |
| 1766 | L | 88.2 | Confident | 78.8 | Confident | 0 Ų | 0 | 40.2 Ų | 40.2 | 0% | 0 | 26% | 0.262 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -141.5 | 128.8 | -176.3 | -175.2 | 76.1 | 0 | 0 | 0 | 110.3 | R1714 I1715 V1718 A1720 F1723 I1756 I1757 L1768 | R1714-L1766 CarbonylContact C-O 3.57Å; R1714-L1766 WeakPolarHBondContact CA-O 3.36Å; I1715-L1766 HydrophobicContact CD1-CB 4.48Å; I1715-L1766 HydrophobicContact CD1-CD2 3.95Å; I1715-L1766 HydrophobicContact CG1-CB 3.8Å; I1715-L1766 HydrophobicContact CG1-CD2 4.16Å; I1715-L1766 HydrophobicContact CG1-CG 4.45Å; I1715-L1766 PolarHBondContact N-O 2.78Å; I1715-L1766 PolarHBondContact O-N 2.86Å; V1718-L1766 HydrophobicContact CG1-CD2 4.36Å; A1720-L1766 VanDerWaalsContact CA-CD1 3.49Å; A1720-L1766 HydrophobicContact CB-CD1 3.56Å; F1723-L1766 HydrophobicContact CB-CD2 3.81Å; F1723-L1766 HydrophobicContact CD1-CD2 3.82Å; F1723-L1766 HydrophobicContact CD2-CD2 4.34Å; F1723-L1766 HydrophobicContact CE1-CD2 4.47Å; F1723-L1766 HydrophobicContact CG-CD2 3.74Å; I1756-L1766 HydrophobicContact CG2-CD1 3.88Å; I1756-L1766 HydrophobicContact CG2-CD2 4.09Å; I1756-L1766 HydrophobicContact CG2-CG 4.31Å; I1757-L1766 CarbonylContact O-C 3.52Å; I1757-L1766 WeakPolarHBondContact O-CA 3.14Å; I1757-L1766 WeakPolarHBondContact O-CD1 3.39Å; L1766-L1768 HydrophobicContact CD2-CD2 3.85Å; L1766-L1768 HydrophobicContact CD2-CG 4.36Å; L1766-L1768 HydrophobicContact CG-CD2 4.19Å |
| 1767 | D | 90 | Very high | 78.4 | Confident | 17 Ų | 17 | 42 Ų | 42 | 9% | 0.091 | 27% | 0.269 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.3 | 133.6 | 173.9 | -69.6 | -10.4 | 0 | 0 | 0 | 110.5 | R1714 I1756 I1757 Y1769 L1815 | R1714-D1767 VanDerWaalsContact CB-OD1 3.3Å; R1714-D1767 WeakPolarHBondContact CB-OD1 3.14Å; R1714-D1767 VanDerWaalsContact CG-OD1 3.25Å; R1714-D1767 WeakPolarHBondContact CG-OD1 3.49Å; R1714-D1767 IonicContact CZ-OD1 2.87Å; R1714-D1767 IonicContact CZ-OD2 3.94Å; R1714-D1767 IonicContact NE-OD1 2.72Å; R1714-D1767 PolarHBondContact NE-OD1 2.85Å; R1714-D1767 IonicContact NE-OD2 2.73Å; R1714-D1767 IonicContact NH2-OD1 3.2Å; R1714-D1767 PolarHBondContact NH2-OD1 2.85Å; R1714-D1767 IonicContact NH2-OD2 3.23Å; R1714-D1767 PolarHBondContact NH2-OD2 3.04Å; I1756-D1767 WeakPolarHBondContact CA-O 3.5Å; I1757-D1767 HydrophobicContact CB-CB 4.49Å; I1757-D1767 PolarHBondContact N-O 2.71Å; I1757-D1767 PolarHBondContact O-N 3.08Å; D1767-Y1769 HydrophobicContact CB-CE2 4.42Å; D1767-L1815 HydrophobicContact CB-CD1 4.09Å |
| 1768 | L | 92.1 | Very high | 78.1 | Confident | 0 Ų | 0 | 42.8 Ų | 42.8 | 0% | 0 | 27% | 0.27 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.1 | 130.3 | -177.1 | -61.7 | 174.7 | 0 | 0 | 0 | 109.7 | S1712 L1713 I1715 F1723 V1753 S1755 I1756 L1766 | S1712-L1768 WeakPolarHBondContact CA-O 3.29Å; L1713-L1768 HydrophobicContact CB-CB 4.42Å; L1713-L1768 HydrophobicContact CD2-CD1 4.23Å; L1713-L1768 PolarHBondContact N-O 2.92Å; L1713-L1768 PolarHBondContact O-N 2.75Å; I1715-L1768 HydrophobicContact CD1-CD1 4.1Å; I1715-L1768 HydrophobicContact CG2-CD1 4.5Å; F1723-L1768 HydrophobicContact CD1-CD2 4.15Å; F1723-L1768 HydrophobicContact CE1-CD1 3.86Å; F1723-L1768 HydrophobicContact CE1-CD2 3.69Å; F1723-L1768 HydrophobicContact CE1-CG 4.46Å; F1723-L1768 HydrophobicContact CE2-CD1 4.46Å; F1723-L1768 HydrophobicContact CZ-CD1 3.68Å; F1723-L1768 HydrophobicContact CZ-CD2 4.38Å; V1753-L1768 HydrophobicContact CG1-CD2 4.45Å; S1755-L1768 WeakPolarHBondContact O-CA 3.26Å; I1756-L1768 HydrophobicContact CB-CD2 4.15Å; I1756-L1768 HydrophobicContact CG1-CD2 3.82Å; I1756-L1768 HydrophobicContact CG2-CD2 3.93Å; L1766-L1768 HydrophobicContact CD2-CD2 3.85Å; L1766-L1768 HydrophobicContact CD2-CG 4.36Å; L1766-L1768 HydrophobicContact CG-CD2 4.19Å |
| 1769 | Y | 93.1 | Very high | 78.1 | Confident | 11 Ų | 11 | 39.8 Ų | 39.8 | 4% | 0.043 | 26% | 0.256 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.9 | 133.5 | 169.7 | -54 | -100.7 | 0 | 0 | 0 | 109.9 | T1710 A1711 Y1754 S1755 I1757 D1767 V1831 A1852 L1854 | T1710-Y1769 HydrophobicContact CG2-CD1 3.9Å; A1711-Y1769 WeakPolarHBondContact O-CA 3.47Å; Y1754-Y1769 PolarHBondContact N-O 3.21Å; Y1754-Y1769 VanDerWaalsContact N-O 3.16Å; S1755-Y1769 PolarHBondContact N-O 3.14Å; S1755-Y1769 VanDerWaalsContact N-O 3.16Å; S1755-Y1769 PolarHBondContact O-N 3.16Å; I1757-Y1769 HydrophobicContact CD1-CE2 4.08Å; D1767-Y1769 HydrophobicContact CB-CE2 4.42Å; Y1769-V1831 HydrophobicContact CD1-CG2 4.41Å; Y1769-V1831 HydrophobicContact CE1-CG2 4.42Å; Y1769-A1852 HydrophobicContact CD2-CB 4.03Å; Y1769-A1852 HydrophobicContact CE2-CB 4.38Å; Y1769-A1852 HydrophobicContact CG-CB 4.13Å; Y1769-L1854 HydrophobicContact CE1-CD1 3.98Å; Y1769-L1854 HydrophobicContact CE1-CD2 4.36Å; Y1769-L1854 HydrophobicContact CE1-CG 3.83Å; Y1769-L1854 WeakPolarHBondContact OH-CD1 3.45Å |
| 1770 | F | 93.3 | Very high | 78.4 | Confident | 0 Ų | 0 | 39.4 Ų | 39.4 | 0% | 0 | 25% | 0.25 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -150.9 | 151.9 | -176 | 68.5 | -85.2 | 0 | 0 | 0 | 111.9 | A1711 L1713 F1736 L1740 Q1752 V1753 V1772 L1783 L1787 | A1711-F1770 HydrophobicContact CB-CD1 4.35Å; A1711-F1770 HydrophobicContact CB-CD2 4.26Å; A1711-F1770 HydrophobicContact CB-CE1 3.83Å; A1711-F1770 HydrophobicContact CB-CE2 3.72Å; A1711-F1770 HydrophobicContact CB-CZ 3.48Å; A1711-F1770 VanDerWaalsContact CB-CZ 3.48Å; A1711-F1770 PolarHBondContact N-O 3.35Å; A1711-F1770 PolarHBondContact O-N 2.87Å; L1713-F1770 HydrophobicContact CB-CE1 4.48Å; F1736-F1770 HydrophobicContact CE1-CD1 4.26Å; F1736-F1770 HydrophobicContact CE1-CE1 4.43Å; F1736-F1770 HydrophobicContact CE1-CG 4.43Å; F1736-F1770 HydrophobicContact CZ-CD1 4.13Å; F1736-F1770 AromaticContact CZ-CE1 3.87Å; F1736-F1770 HydrophobicContact CZ-CE1 3.87Å; F1736-F1770 HydrophobicContact CZ-CZ 4.16Å; L1740-F1770 HydrophobicContact CD2-CD2 3.99Å; L1740-F1770 HydrophobicContact CD2-CE2 3.47Å; L1740-F1770 VanDerWaalsContact CD2-CE2 3.47Å; L1740-F1770 HydrophobicContact CD2-CZ 4.06Å; Q1752-F1770 CarbonylContact O-C 3.48Å; Q1752-F1770 WeakPolarHBondContact O-CA 3.21Å; Q1752-F1770 WeakPolarHBondContact O-CB 3.23Å; V1753-F1770 HydrophobicContact CB-CB 4.19Å; V1753-F1770 HydrophobicContact CG1-CB 4.37Å; V1753-F1770 HydrophobicContact CG2-CB 3.91Å; F1770-V1772 HydrophobicContact CD2-CG2 3.9Å; F1770-V1772 HydrophobicContact CE2-CG2 4.06Å; F1770-L1783 HydrophobicContact CE2-CB 4.41Å; F1770-L1783 HydrophobicContact CE2-CD1 4.19Å; F1770-L1787 HydrophobicContact CE1-CD1 3.98Å; F1770-L1787 HydrophobicContact CZ-CD1 3.72Å; F1770-L1787 HydrophobicContact CZ-CD2 4.16Å; F1770-L1787 HydrophobicContact CZ-CG 4.15Å |
| 1771 | A | 91 | Very high | 79.1 | Confident | 0 Ų | 0 | 37.8 Ų | 37.8 | 0% | 0 | 23% | 0.233 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.7 | 159.6 | 169.1 | 0 | 0 | 0 | 0 | 0 | 109.4 | A1706 Q1752 Y1754 Y1777 | A1706-A1771 HydrophobicContact CB-CB 4.01Å; Q1752-A1771 PolarHBondContact N-O 3.17Å; Q1752-A1771 PolarHBondContact O-N 2.71Å; Y1754-A1771 HydrophobicContact CE1-CB 3.76Å; A1771-Y1777 HydrophobicContact CB-CD1 3.9Å; A1771-Y1777 HydrophobicContact CB-CE1 3.9Å |
| 1772 | V | 89.6 | Confident | 80.6 | Confident | 0 Ų | 0 | 36.1 Ų | 36.1 | 0% | 0 | 21% | 0.212 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -135 | 129.1 | -179.9 | -170.1 | 0 | 0 | 0 | 0 | 110.1 | L1740 L1744 I1746 F1750 V1751 F1770 Y1777 K1778 L1783 | L1740-V1772 HydrophobicContact CD2-CG2 4.21Å; L1744-V1772 HydrophobicContact CD1-CB 4.37Å; L1744-V1772 HydrophobicContact CD1-CG1 3.74Å; L1744-V1772 HydrophobicContact CD1-CG2 4.43Å; I1746-V1772 HydrophobicContact CD1-CG1 3.2Å; F1750-V1772 WeakPolarHBondContact O-CA 3.31Å; F1750-V1772 WeakPolarHBondContact O-CG1 2.98Å; V1751-V1772 HydrophobicContact CG1-CG2 4.32Å; V1751-V1772 HydrophobicContact CG2-CG1 4.03Å; V1751-V1772 HydrophobicContact CG2-CG2 4.25Å; F1770-V1772 HydrophobicContact CD2-CG2 3.9Å; F1770-V1772 HydrophobicContact CE2-CG2 4.06Å; V1772-Y1777 CarbonylContact O-C 3.54Å; V1772-Y1777 WeakPolarHBondContact O-CA 3.43Å; V1772-K1778 HydrophobicContact CB-CG 4.41Å; V1772-K1778 WeakPolarHBondContact O-CG 3.48Å; V1772-K1778 PolarHBondContact O-N 2.6Å; V1772-L1783 HydrophobicContact CB-CD1 4.24Å; V1772-L1783 HydrophobicContact CB-CD2 3.96Å; V1772-L1783 HydrophobicContact CG2-CD1 3.95Å; V1772-L1783 HydrophobicContact CG2-CD2 3.68Å; V1772-L1783 HydrophobicContact CG2-CG 4.49Å |
| 1773 | H | 79 | Confident | 82.4 | Confident | 42 Ų | 42 | 27.6 Ų | 27.6 | 19% | 0.194 | 17% | 0.172 | C | C | . | . | trans | -116.8 | -178.2 | -178.1 | 66.7 | 90.3 | 0 | 0 | 0 | 113.5 | F1750 Q1752 G1776 Y1777 | F1750-H1773 AromaticContact CD1-CE1 3.27Å; F1750-H1773 WeakPolarHBondContact CD1-CE1 3.5Å; F1750-H1773 AromaticContact CD1-ND1 3.84Å; F1750-H1773 AromaticContact CD1-NE2 3.98Å; F1750-H1773 AromaticContact CE1-CE1 3.8Å; F1750-H1773 AromaticContact CG-CE1 3.65Å; F1750-H1773 AromaticContact CG-ND1 3.8Å; F1750-H1773 PolarHBondContact O-CD2 3.33Å; F1750-H1773 PolarHBondContact O-N 3.03Å; F1750-H1773 VanDerWaalsContact O-N 3.08Å; Q1752-H1773 PolarHBondContact OE1-CD2 3.21Å; H1773-G1776 CarbonylContact C-O 3.59Å; H1773-G1776 WeakPolarHBondContact CA-O 3.37Å; H1773-Y1777 HydrophobicContact CB-CD1 3.83Å; H1773-Y1777 HydrophobicContact CB-CD2 4.3Å; H1773-Y1777 HydrophobicContact CB-CE1 3.73Å; H1773-Y1777 HydrophobicContact CB-CE2 4.24Å; H1773-Y1777 HydrophobicContact CB-CG 4.13Å | ||
| 1774 | G | 65.9 | Low | 83.7 | Confident | 34 Ų | 34 | 24.3 Ų | 24.3 | 35% | 0.351 | 15% | 0.151 | S | C | . | . | S | Bend | trans | -176.9 | -100.2 | -178.9 | 0 | 0 | 0 | 0 | 0 | 110.6 | G1776 | G1774-G1776 VanDerWaalsContact C-N 3.27Å; G1774-G1776 PolarHBondContact N-O 2.79Å |
| 1775 | S | 60.3 | Low | 84.3 | Confident | 133 Ų | 133 | 22.7 Ų | 22.7 | 93% | 0.93 | 14% | 0.14 | S | C | * | . | S | Bend | trans | -82 | -7.1 | 163.2 | 55.5 | 0 | 0 | 0 | 0 | 113.6 | ||
| 1776 | G | 74.6 | Confident | 84.5 | Confident | 25 Ų | 25 | 21.3 Ų | 21.3 | 26% | 0.258 | 13% | 0.134 | S | C | . | . | S | Bend | trans | 172.5 | 176.7 | -175.8 | 0 | 0 | 0 | 0 | 0 | 107.2 | H1773 G1774 | H1773-G1776 CarbonylContact C-O 3.59Å; H1773-G1776 WeakPolarHBondContact CA-O 3.37Å; G1774-G1776 VanDerWaalsContact C-N 3.27Å; G1774-G1776 PolarHBondContact N-O 2.79Å |
| 1777 | Y | 84.1 | Confident | 84.5 | Confident | 42 Ų | 42 | 21.3 Ų | 21.3 | 17% | 0.165 | 13% | 0.134 | C | C | . | . | P | Polyproline II helix | trans | -72.3 | 160 | 178.4 | -74.3 | -92.7 | 0 | 0 | 0 | 113.3 | N1703 E1705 A1706 Q1752 A1771 V1772 H1773 | N1703-Y1777 WeakPolarHBondContact OD1-CE2 3.38Å; N1703-Y1777 PolarHBondContact OD1-OH 2.8Å; N1703-Y1777 VanDerWaalsContact OD1-OH 3.08Å; E1705-Y1777 HydrophobicContact CB-CD2 4.02Å; E1705-Y1777 HydrophobicContact CB-CE2 4.34Å; E1705-Y1777 VanDerWaalsContact CD-CD2 3.47Å; E1705-Y1777 HydrophobicContact CG-CD2 3.77Å; E1705-Y1777 HydrophobicContact CG-CG 4.44Å; E1705-Y1777 WeakPolarHBondContact OE1-CD2 3.19Å; E1705-Y1777 PolarHBondContact OE1-N 3.3Å; A1706-Y1777 HydrophobicContact CB-CD1 4.01Å; A1706-Y1777 HydrophobicContact CB-CE1 3.41Å; A1706-Y1777 VanDerWaalsContact CB-CE1 3.41Å; A1706-Y1777 HydrophobicContact CB-CE2 4.17Å; A1706-Y1777 VanDerWaalsContact CB-CZ 3.48Å; Q1752-Y1777 PolarHBondContact OE1-OH 2.7Å; A1771-Y1777 HydrophobicContact CB-CD1 3.9Å; A1771-Y1777 HydrophobicContact CB-CE1 3.9Å; V1772-Y1777 CarbonylContact O-C 3.54Å; V1772-Y1777 WeakPolarHBondContact O-CA 3.43Å; H1773-Y1777 HydrophobicContact CB-CD1 3.83Å; H1773-Y1777 HydrophobicContact CB-CD2 4.3Å; H1773-Y1777 HydrophobicContact CB-CE1 3.73Å; H1773-Y1777 HydrophobicContact CB-CE2 4.24Å; H1773-Y1777 HydrophobicContact CB-CG 4.13Å |
| 1778 | K | 83.2 | Confident | 84.1 | Confident | 61 Ų | 61 | 21 Ų | 21 | 27% | 0.265 | 13% | 0.132 | S | C | . | . | P | Polyproline II helix | trans | -101.4 | 133.7 | 178.3 | -61.5 | -54.4 | -175 | -177.3 | 0 | 109.9 | V1772 L1782 L1783 | V1772-K1778 HydrophobicContact CB-CG 4.41Å; V1772-K1778 WeakPolarHBondContact O-CG 3.48Å; V1772-K1778 PolarHBondContact O-N 2.6Å; K1778-L1782 HydrophobicContact CB-CD2 4.44Å; K1778-L1782 HydrophobicContact CD-CD2 4.27Å; K1778-L1783 HydrophobicContact CB-CD1 4.38Å; K1778-L1783 HydrophobicContact CB-CD2 4.04Å; K1778-L1783 HydrophobicContact CB-CG 4.17Å |
| 1779 | S | 82.4 | Confident | 83.7 | Confident | 22 Ų | 22 | 21.9 Ų | 21.9 | 15% | 0.154 | 14% | 0.137 | C | C | . | . | P | Polyproline II helix | trans | -62.4 | 147.5 | -176.1 | 77.3 | 0 | 0 | 0 | 0 | 112.6 | N1709 A1781 L1782 L1783 E1916 L2097 | N1709-S1779 WeakPolarHBondContact OD1-CA 3.14Å; S1779-A1781 VanDerWaalsContact C-N 3.27Å; S1779-A1781 PolarHBondContact O-N 2.82Å; S1779-L1782 WeakPolarHBondContact O-CB 3.49Å; S1779-L1782 PolarHBondContact O-N 2.81Å; S1779-L1782 VanDerWaalsContact O-N 3.1Å; S1779-L1783 PolarHBondContact O-N 2.88Å; S1779-E1916 WeakPolarHBondContact CB-OE1 3.34Å; S1779-E1916 PolarHBondContact OG-OE1 2.81Å; S1779-L2097 WeakPolarHBondContact OG-CD2 3.32Å |
| 1780 | P | 85.7 | Confident | 83.3 | Confident | 32 Ų | 32 | 22.5 Ų | 22.5 | 21% | 0.208 | 14% | 0.141 | C | C | . | . | H | α-helix | trans | -53.4 | -44.8 | 179 | -28.5 | 36.4 | 0 | 0 | 0 | 112.2 | T1710 L1782 L1783 H1784 | T1710-P1780 WeakPolarHBondContact O-CB 3.41Å; T1710-P1780 WeakPolarHBondContact O-CG 3.36Å; P1780-L1782 VanDerWaalsContact C-N 3.31Å; P1780-L1782 PolarHBondContact O-N 2.94Å; P1780-L1783 CarbonylContact O-C 3.56Å; P1780-L1783 WeakPolarHBondContact O-CA 2.96Å; P1780-L1783 WeakPolarHBondContact O-CB 3.49Å; P1780-L1783 PolarHBondContact O-N 3.37Å; P1780-H1784 PolarHBondContact O-N 2.78Å; P1780-H1784 PolarHBondContact O-ND1 3.13Å |
| 1781 | A | 84.9 | Confident | 82.9 | Confident | 4 Ų | 4 | 23.8 Ų | 23.8 | 3% | 0.033 | 15% | 0.146 | C | C | . | . | H | α-helix | trans | -56 | -42.9 | 179.1 | 0 | 0 | 0 | 0 | 0 | 112.5 | S1779 L1783 G1785 E1916 P2052 L2097 | S1779-A1781 VanDerWaalsContact C-N 3.27Å; S1779-A1781 PolarHBondContact O-N 2.82Å; A1781-L1783 VanDerWaalsContact C-N 3.35Å; A1781-L1783 PolarHBondContact O-N 3.04Å; A1781-G1785 PolarHBondContact O-N 2.96Å; A1781-E1916 WeakPolarHBondContact CB-OE2 3.45Å; A1781-P2052 HydrophobicContact CB-CG 4.19Å; A1781-P2052 WeakPolarHBondContact O-CG 3.41Å; A1781-L2097 HydrophobicContact CB-CD1 4.03Å |
| 1782 | L | 86.8 | Confident | 82.4 | Confident | 17 Ų | 17 | 26.6 Ų | 26.6 | 9% | 0.089 | 16% | 0.157 | C | C | . | . | H | α-helix | trans | -62.7 | -41.8 | 174.5 | 177.6 | 59.5 | 0 | 0 | 0 | 111.6 | K1778 S1779 P1780 L1786 W1914 L2097 K2098 | K1778-L1782 HydrophobicContact CB-CD2 4.44Å; K1778-L1782 HydrophobicContact CD-CD2 4.27Å; S1779-L1782 WeakPolarHBondContact O-CB 3.49Å; S1779-L1782 PolarHBondContact O-N 2.81Å; S1779-L1782 VanDerWaalsContact O-N 3.1Å; P1780-L1782 VanDerWaalsContact C-N 3.31Å; P1780-L1782 PolarHBondContact O-N 2.94Å; L1782-L1786 HydrophobicContact CD1-CD1 3.9Å; L1782-L1786 HydrophobicContact CD1-CG 4.24Å; L1782-L1786 HydrophobicContact CG-CD1 3.96Å; L1782-L1786 WeakPolarHBondContact O-CB 3.38Å; L1782-L1786 WeakPolarHBondContact O-CD1 3.34Å; L1782-L1786 WeakPolarHBondContact O-CG 3.36Å; L1782-L1786 PolarHBondContact O-N 2.84Å; L1782-W1914 HydrophobicContact CD1-CE3 4.15Å; L1782-W1914 HydrophobicContact CD1-CZ3 4.23Å; L1782-L2097 HydrophobicContact CB-CB 4.4Å; L1782-L2097 HydrophobicContact CD1-CB 4.41Å; L1782-K2098 HydrophobicContact CD1-CB 4.01Å; L1782-K2098 HydrophobicContact CD1-CD 4.44Å |
| 1783 | L | 89.6 | Confident | 81.9 | Confident | 0 Ų | 0 | 31.5 Ų | 31.5 | 0% | 0 | 18% | 0.18 | C | C | . | . | H | α-helix | trans | -70 | -48.8 | -179.4 | -63.8 | 178.4 | 0 | 0 | 0 | 112.4 | A1711 L1744 F1770 V1772 K1778 S1779 P1780 A1781 G1785 L1786 L1787 | A1711-L1783 HydrophobicContact CB-CB 3.7Å; A1711-L1783 HydrophobicContact CB-CD1 3.8Å; A1711-L1783 HydrophobicContact CB-CG 4.41Å; L1744-L1783 HydrophobicContact CD1-CD2 3.92Å; F1770-L1783 HydrophobicContact CE2-CB 4.41Å; F1770-L1783 HydrophobicContact CE2-CD1 4.19Å; V1772-L1783 HydrophobicContact CB-CD1 4.24Å; V1772-L1783 HydrophobicContact CB-CD2 3.96Å; V1772-L1783 HydrophobicContact CG2-CD1 3.95Å; V1772-L1783 HydrophobicContact CG2-CD2 3.68Å; V1772-L1783 HydrophobicContact CG2-CG 4.49Å; K1778-L1783 HydrophobicContact CB-CD1 4.38Å; K1778-L1783 HydrophobicContact CB-CD2 4.04Å; K1778-L1783 HydrophobicContact CB-CG 4.17Å; S1779-L1783 PolarHBondContact O-N 2.88Å; P1780-L1783 CarbonylContact O-C 3.56Å; P1780-L1783 WeakPolarHBondContact O-CA 2.96Å; P1780-L1783 WeakPolarHBondContact O-CB 3.49Å; P1780-L1783 PolarHBondContact O-N 3.37Å; A1781-L1783 VanDerWaalsContact C-N 3.35Å; A1781-L1783 PolarHBondContact O-N 3.04Å; L1783-G1785 VanDerWaalsContact C-N 3.34Å; L1783-G1785 PolarHBondContact O-N 3.3Å; L1783-L1786 PolarHBondContact O-N 2.72Å; L1783-L1786 VanDerWaalsContact O-N 3.14Å; L1783-L1787 WeakPolarHBondContact O-CG 3.25Å; L1783-L1787 PolarHBondContact O-N 2.79Å |
| 1784 | H | 88.8 | Confident | 82.3 | Confident | 5 Ų | 5 | 29.6 Ų | 29.6 | 2% | 0.023 | 17% | 0.171 | C | C | . | . | H | α-helix | trans | -60.3 | -42.6 | 174.8 | -59.7 | 129.5 | 0 | 0 | 0 | 111.6 | S1712 P1780 L1786 L1787 E1788 V1813 N1814 | S1712-H1784 PolarHBondContact N-NE2 3.26Å; P1780-H1784 PolarHBondContact O-N 2.78Å; P1780-H1784 PolarHBondContact O-ND1 3.13Å; H1784-L1786 VanDerWaalsContact C-N 3.3Å; H1784-L1786 PolarHBondContact O-N 2.68Å; H1784-L1787 PolarHBondContact O-N 3.27Å; H1784-E1788 PolarHBondContact O-N 2.87Å; H1784-E1788 VanDerWaalsContact O-N 3.15Å; H1784-V1813 HydrophobicContact CB-CG1 3.96Å; H1784-N1814 HydrophobicContact CB-CB 4.47Å; H1784-N1814 PolarHBondContact CD2-N 2.99Å; H1784-N1814 PolarHBondContact CE1-OD1 2.8Å; H1784-N1814 WeakPolarHBondContact NE2-CA 3.3Å; H1784-N1814 WeakPolarHBondContact NE2-CB 3.24Å; H1784-N1814 PolarHBondContact NE2-OD1 3.11Å |
| 1785 | G | 85.6 | Confident | 83.2 | Confident | 0 Ų | 0 | 28.3 Ų | 28.3 | 0% | 0 | 16% | 0.156 | C | C | . | . | H | α-helix | trans | -62.4 | -34.3 | 174.3 | 0 | 0 | 0 | 0 | 0 | 113.3 | A1781 L1783 L1789 W1914 | A1781-G1785 PolarHBondContact O-N 2.96Å; L1783-G1785 VanDerWaalsContact C-N 3.34Å; L1783-G1785 PolarHBondContact O-N 3.3Å; G1785-L1789 VanDerWaalsContact O-CB 3.32Å; G1785-L1789 WeakPolarHBondContact O-CB 3.31Å; G1785-L1789 PolarHBondContact O-N 3.5Å; G1785-L1789 VanDerWaalsContact O-N 3.12Å; G1785-W1914 WeakPolarHBondContact O-CH2 3.47Å |
| 1786 | L | 85.9 | Confident | 84.3 | Confident | 3 Ų | 3 | 25.6 Ų | 25.6 | 2% | 0.016 | 14% | 0.137 | C | C | . | . | H | α-helix | trans | -75.9 | -35 | 174.5 | -74.5 | 166.8 | 0 | 0 | 0 | 113.2 | L1744 L1782 L1783 H1784 L1789 N1790 W1914 K2098 | L1744-L1786 HydrophobicContact CD1-CD1 4.41Å; L1744-L1786 HydrophobicContact CD2-CD1 3.36Å; L1744-L1786 HydrophobicContact CG-CD1 3.8Å; L1782-L1786 HydrophobicContact CD1-CD1 3.9Å; L1782-L1786 HydrophobicContact CD1-CG 4.24Å; L1782-L1786 HydrophobicContact CG-CD1 3.96Å; L1782-L1786 WeakPolarHBondContact O-CB 3.38Å; L1782-L1786 WeakPolarHBondContact O-CD1 3.34Å; L1782-L1786 WeakPolarHBondContact O-CG 3.36Å; L1782-L1786 PolarHBondContact O-N 2.84Å; L1783-L1786 PolarHBondContact O-N 2.72Å; L1783-L1786 VanDerWaalsContact O-N 3.14Å; H1784-L1786 VanDerWaalsContact C-N 3.3Å; H1784-L1786 PolarHBondContact O-N 2.68Å; L1786-L1789 HydrophobicContact CD2-CD2 4.47Å; L1786-L1789 PolarHBondContact O-N 3.41Å; L1786-N1790 PolarHBondContact O-N 3.04Å; L1786-N1790 PolarHBondContact O-ND2 3.44Å; L1786-W1914 HydrophobicContact CG-CZ3 4.45Å; L1786-K2098 HydrophobicContact CD2-CD 4.22Å |
| 1787 | L | 87.8 | Confident | 84.7 | Confident | 0 Ų | 0 | 25.5 Ų | 25.5 | 0% | 0 | 13% | 0.134 | C | C | . | . | H | α-helix | trans | -58.8 | -47.4 | 173 | -75.1 | 172.1 | 0 | 0 | 0 | 110.7 | L1713 F1736 F1770 L1783 H1784 N1790 R1791 L1794 V1813 | L1713-L1787 HydrophobicContact CB-CD1 4.38Å; L1713-L1787 HydrophobicContact CD1-CD1 4.15Å; L1713-L1787 HydrophobicContact CD2-CD2 4.25Å; F1736-L1787 HydrophobicContact CE2-CD2 3.9Å; F1736-L1787 HydrophobicContact CZ-CD2 4.1Å; F1770-L1787 HydrophobicContact CE1-CD1 3.98Å; F1770-L1787 HydrophobicContact CZ-CD1 3.72Å; F1770-L1787 HydrophobicContact CZ-CD2 4.16Å; F1770-L1787 HydrophobicContact CZ-CG 4.15Å; L1783-L1787 WeakPolarHBondContact O-CG 3.25Å; L1783-L1787 PolarHBondContact O-N 2.79Å; H1784-L1787 PolarHBondContact O-N 3.27Å; L1787-N1790 CarbonylContact O-C 3.56Å; L1787-R1791 VanDerWaalsContact O-CA 3.28Å; L1787-R1791 WeakPolarHBondContact O-CA 3.41Å; L1787-R1791 PolarHBondContact O-N 2.91Å; L1787-L1794 HydrophobicContact CD2-CD1 3.76Å; L1787-V1813 HydrophobicContact CB-CG1 3.99Å; L1787-V1813 HydrophobicContact CB-CG2 4.37Å; L1787-V1813 HydrophobicContact CD1-CG1 3.93Å |
| 1788 | E | 83.4 | Confident | 84.9 | Confident | 10 Ų | 10 | 23.5 Ų | 23.5 | 5% | 0.047 | 13% | 0.126 | C | C | . | . | H | α-helix | trans | -64.8 | -45.8 | 175.7 | -76.2 | -59.3 | 162.1 | 0 | 0 | 113 | H1784 N1790 R1791 V1813 I1945 V1946 F2051 | H1784-E1788 PolarHBondContact O-N 2.87Å; H1784-E1788 VanDerWaalsContact O-N 3.15Å; E1788-N1790 PolarHBondContact O-N 2.86Å; E1788-N1790 VanDerWaalsContact O-N 3.11Å; E1788-R1791 WeakPolarHBondContact O-CB 3.5Å; E1788-R1791 PolarHBondContact O-N 2.88Å; E1788-R1791 VanDerWaalsContact O-N 3.16Å; E1788-R1791 IonicContact OE1-CZ 3.83Å; E1788-R1791 IonicContact OE1-NE 3.86Å; E1788-R1791 PolarHBondContact OE1-NE 2.85Å; E1788-R1791 IonicContact OE1-NH2 3.51Å; E1788-R1791 PolarHBondContact OE1-NH2 2.74Å; E1788-R1791 IonicContact OE2-CZ 3.94Å; E1788-R1791 IonicContact OE2-NE 2.62Å; E1788-R1791 PolarHBondContact OE2-NE 3.12Å; E1788-R1791 IonicContact OE2-NH2 2.56Å; E1788-V1813 HydrophobicContact CG-CG1 4.44Å; E1788-V1813 WeakPolarHBondContact OE1-CG2 3.38Å; E1788-I1945 HydrophobicContact CB-CB 4.16Å; E1788-I1945 HydrophobicContact CB-CD1 4.31Å; E1788-V1946 HydrophobicContact CB-CG2 4.29Å; E1788-V1946 WeakPolarHBondContact OE2-CG2 3.09Å; E1788-F2051 HydrophobicContact CG-CD1 4.15Å; E1788-F2051 HydrophobicContact CG-CE1 3.48Å; E1788-F2051 VanDerWaalsContact CG-CE1 3.48Å; E1788-F2051 HydrophobicContact CG-CZ 4.12Å |
| 1789 | L | 82.7 | Confident | 84.8 | Confident | 18 Ų | 18 | 21.7 Ų | 21.7 | 9% | 0.094 | 12% | 0.121 | C | C | . | . | H | α-helix | trans | -58.7 | -29.3 | -176.9 | -163.6 | 76.3 | 0 | 0 | 0 | 113 | G1785 L1786 W1914 I1945 A2059 A2061 A2062 | G1785-L1789 VanDerWaalsContact O-CB 3.32Å; G1785-L1789 WeakPolarHBondContact O-CB 3.31Å; G1785-L1789 PolarHBondContact O-N 3.5Å; G1785-L1789 VanDerWaalsContact O-N 3.12Å; L1786-L1789 HydrophobicContact CD2-CD2 4.47Å; L1786-L1789 PolarHBondContact O-N 3.41Å; L1789-W1914 HydrophobicContact CD2-CH2 4.34Å; L1789-I1945 HydrophobicContact CD1-CG2 4.4Å; L1789-A2059 HydrophobicContact CD1-CB 4.12Å; L1789-A2061 HydrophobicContact CD1-CB 4.4Å; L1789-A2061 WeakPolarHBondContact O-CA 3.5Å; L1789-A2062 PolarHBondContact O-N 2.99Å |
| 1790 | N | 84.4 | Confident | 84.5 | Confident | 25 Ų | 25 | 24.1 Ų | 24.1 | 13% | 0.134 | 13% | 0.132 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -115.7 | 14.9 | -178.5 | -50.1 | -75.6 | 0 | 0 | 0 | 113.1 | L1786 L1787 E1788 Y1792 E1793 L1794 | L1786-N1790 PolarHBondContact O-N 3.04Å; L1786-N1790 PolarHBondContact O-ND2 3.44Å; L1787-N1790 CarbonylContact O-C 3.56Å; E1788-N1790 PolarHBondContact O-N 2.86Å; E1788-N1790 VanDerWaalsContact O-N 3.11Å; N1790-Y1792 VanDerWaalsContact C-N 3.29Å; N1790-Y1792 PolarHBondContact O-N 2.94Å; N1790-Y1792 VanDerWaalsContact O-N 3.13Å; N1790-E1793 PolarHBondContact O-N 2.76Å; N1790-L1794 HydrophobicContact CB-CD1 4.4Å; N1790-L1794 PolarHBondContact O-N 2.92Å |
| 1791 | R | 84.4 | Confident | 83.5 | Confident | 27 Ų | 27 | 23.1 Ų | 23.1 | 10% | 0.102 | 13% | 0.125 | C | C | . | . | H | α-helix | trans | -46.6 | -48 | -171.8 | 178.5 | -176.4 | -91.2 | -97.5 | 6.8 | 113.3 | L1787 E1788 L1794 E1795 I1810 | L1787-R1791 VanDerWaalsContact O-CA 3.28Å; L1787-R1791 WeakPolarHBondContact O-CA 3.41Å; L1787-R1791 PolarHBondContact O-N 2.91Å; E1788-R1791 WeakPolarHBondContact O-CB 3.5Å; E1788-R1791 PolarHBondContact O-N 2.88Å; E1788-R1791 VanDerWaalsContact O-N 3.16Å; E1788-R1791 IonicContact OE1-CZ 3.83Å; E1788-R1791 IonicContact OE1-NE 3.86Å; E1788-R1791 PolarHBondContact OE1-NE 2.85Å; E1788-R1791 IonicContact OE1-NH2 3.51Å; E1788-R1791 PolarHBondContact OE1-NH2 2.74Å; E1788-R1791 IonicContact OE2-CZ 3.94Å; E1788-R1791 IonicContact OE2-NE 2.62Å; E1788-R1791 PolarHBondContact OE2-NE 3.12Å; E1788-R1791 IonicContact OE2-NH2 2.56Å; R1791-L1794 PolarHBondContact O-N 3.07Å; R1791-E1795 WeakPolarHBondContact O-CG 3.35Å; R1791-E1795 PolarHBondContact O-N 2.73Å; R1791-I1810 HydrophobicContact CG-CB 4.49Å; R1791-I1810 HydrophobicContact CG-CD1 4.16Å; R1791-I1810 PolarHBondContact NH1-O 2.79Å |
| 1792 | Y | 80.5 | Confident | 82.4 | Confident | 58 Ų | 58 | 24.9 Ų | 24.9 | 23% | 0.227 | 14% | 0.143 | C | C | . | . | H | α-helix | trans | -69.3 | -32 | -179.3 | -69.2 | -92 | 0 | 0 | 0 | 113.8 | N1790 S1796 V1946 | N1790-Y1792 VanDerWaalsContact C-N 3.29Å; N1790-Y1792 PolarHBondContact O-N 2.94Å; N1790-Y1792 VanDerWaalsContact O-N 3.13Å; Y1792-S1796 VanDerWaalsContact O-CB 3.25Å; Y1792-S1796 WeakPolarHBondContact O-CB 3.23Å; Y1792-S1796 PolarHBondContact O-N 3.27Å; Y1792-V1946 HydrophobicContact CE2-CG1 4.06Å |
| 1793 | E | 80.5 | Confident | 80.8 | Confident | 104 Ų | 104 | 32.9 Ų | 32.9 | 49% | 0.486 | 18% | 0.181 | S | C | . | . | H | α-helix | trans | -73.8 | -38.6 | 177.2 | -59.3 | -171.5 | 173.1 | 0 | 0 | 110.2 | T1739 N1790 A1797 | T1739-E1793 HydrophobicContact CG2-CB 4.43Å; N1790-E1793 PolarHBondContact O-N 2.76Å; E1793-A1797 WeakPolarHBondContact O-CB 3.43Å; E1793-A1797 PolarHBondContact O-N 2.92Å |
| 1794 | L | 86.8 | Confident | 79.1 | Confident | 2 Ų | 2 | 38.1 Ų | 38.1 | 1% | 0.01 | 20% | 0.203 | C | C | . | . | H | α-helix | trans | -64 | -51.7 | 172.4 | -70.2 | 162.6 | 0 | 0 | 0 | 112.1 | F1736 T1739 L1787 N1790 R1791 S1796 A1797 M1798 I1810 | F1736-L1794 HydrophobicContact CD2-CD2 3.97Å; F1736-L1794 HydrophobicContact CE2-CD2 4.23Å; T1739-L1794 HydrophobicContact CG2-CD2 3.73Å; T1739-L1794 HydrophobicContact CG2-CG 4.11Å; L1787-L1794 HydrophobicContact CD2-CD1 3.76Å; N1790-L1794 HydrophobicContact CB-CD1 4.4Å; N1790-L1794 PolarHBondContact O-N 2.92Å; R1791-L1794 PolarHBondContact O-N 3.07Å; L1794-S1796 VanDerWaalsContact C-N 3.32Å; L1794-S1796 PolarHBondContact O-N 3.29Å; L1794-A1797 PolarHBondContact O-N 3.01Å; L1794-M1798 HydrophobicContact CB-CE 4.46Å; L1794-M1798 WeakPolarHBondContact O-CG 3.35Å; L1794-M1798 PolarHBondContact O-N 3.46Å; L1794-I1810 HydrophobicContact CB-CD1 4.08Å; L1794-I1810 HydrophobicContact CD1-CD1 4.45Å |
| 1795 | E | 85.9 | Confident | 77.5 | Confident | 6 Ų | 6 | 45.3 Ų | 45.3 | 3% | 0.028 | 23% | 0.234 | C | C | . | . | H | α-helix | trans | -55.4 | -46.4 | 175.5 | -74.2 | -178.4 | 167.3 | 0 | 0 | 111.4 | R1791 S1799 I1810 R1949 | R1791-E1795 WeakPolarHBondContact O-CG 3.35Å; R1791-E1795 PolarHBondContact O-N 2.73Å; E1795-S1799 VanDerWaalsContact O-CB 3.27Å; E1795-S1799 WeakPolarHBondContact O-CB 3.48Å; E1795-S1799 PolarHBondContact O-N 2.78Å; E1795-S1799 PolarHBondContact O-OG 3.06Å; E1795-I1810 HydrophobicContact CG-CB 4.39Å; E1795-I1810 HydrophobicContact CG-CD1 4.21Å; E1795-I1810 HydrophobicContact CG-CG1 4.02Å; E1795-I1810 PolarHBondContact OE1-N 2.66Å; E1795-R1949 IonicContact OE2-CZ 2.74Å; E1795-R1949 IonicContact OE2-NE 2.84Å; E1795-R1949 IonicContact OE2-NH2 3.64Å; E1795-R1949 PolarHBondContact OE2-NH2 2.94Å |
| 1796 | S | 81.6 | Confident | 76.7 | Confident | 77 Ų | 77 | 48.6 Ų | 48.6 | 54% | 0.538 | 25% | 0.25 | S | C | . | . | H | α-helix | trans | -67.4 | -37.5 | 179 | -171.6 | 0 | 0 | 0 | 0 | 112.9 | Y1792 L1794 D1800 | Y1792-S1796 VanDerWaalsContact O-CB 3.25Å; Y1792-S1796 WeakPolarHBondContact O-CB 3.23Å; Y1792-S1796 PolarHBondContact O-N 3.27Å; L1794-S1796 VanDerWaalsContact C-N 3.32Å; L1794-S1796 PolarHBondContact O-N 3.29Å; S1796-D1800 WeakPolarHBondContact O-CB 3.23Å; S1796-D1800 PolarHBondContact O-N 3.23Å |
| 1797 | A | 83.2 | Confident | 76.2 | Confident | 23 Ų | 23 | 54.4 Ų | 54.4 | 19% | 0.19 | 28% | 0.277 | C | S | . | . | H | α-helix | trans | -68.7 | -45.4 | 178.4 | 0 | 0 | 0 | 0 | 0 | 111.4 | K1735 T1739 E1793 L1794 S1799 | K1735-A1797 HydrophobicContact CB-CB 4.34Å; K1735-A1797 WeakPolarHBondContact CD-O 3.28Å; T1739-A1797 WeakPolarHBondContact OG1-CB 3.37Å; E1793-A1797 WeakPolarHBondContact O-CB 3.43Å; E1793-A1797 PolarHBondContact O-N 2.92Å; L1794-A1797 PolarHBondContact O-N 3.01Å; A1797-S1799 VanDerWaalsContact C-N 3.35Å; A1797-S1799 PolarHBondContact O-N 2.78Å |
| 1798 | M | 88 | Confident | 76 | Confident | 0 Ų | 0 | 54.4 Ų | 54.4 | 0% | 0 | 28% | 0.277 | C | S | . | . | H | α-helix | trans | -64.1 | -38.2 | 177.3 | -67.2 | -175.5 | -64.2 | 0 | 0 | 112.1 | I1715 F1723 S1732 F1736 L1794 D1800 I1808 I1810 | I1715-M1798 HydrophobicContact CD1-SD 4.34Å; I1715-M1798 HydrophobicContact CG2-CE 4.3Å; F1723-M1798 HydrophobicContact CE2-CG 4.47Å; F1723-M1798 HydrophobicContact CE2-SD 3.89Å; F1723-M1798 HydrophobicContact CZ-SD 4.47Å; S1732-M1798 PolarHBondContact OG-O 2.76Å; F1736-M1798 HydrophobicContact CB-CG 4.4Å; F1736-M1798 HydrophobicContact CB-SD 4.33Å; F1736-M1798 HydrophobicContact CD2-SD 4.07Å; L1794-M1798 HydrophobicContact CB-CE 4.46Å; L1794-M1798 WeakPolarHBondContact O-CG 3.35Å; L1794-M1798 PolarHBondContact O-N 3.46Å; M1798-D1800 PolarHBondContact O-N 3.12Å; M1798-I1808 HydrophobicContact CB-CB 4.12Å; M1798-I1808 HydrophobicContact CB-CD1 4.2Å; M1798-I1808 HydrophobicContact CB-CG2 4.06Å; M1798-I1808 HydrophobicContact CE-CG2 4.13Å; M1798-I1808 HydrophobicContact SD-CG2 4.34Å; M1798-I1810 HydrophobicContact CE-CD1 4.36Å; M1798-I1810 HydrophobicContact CE-CG1 4.1Å |
| 1799 | S | 82 | Confident | 76 | Confident | 23 Ų | 23 | 55.1 Ų | 55.1 | 16% | 0.161 | 28% | 0.281 | C | S | . | . | H | α-helix | trans | -73.1 | -22.6 | -176.8 | -59.5 | 0 | 0 | 0 | 0 | 115 | E1795 A1797 L1801 Q1806 I1808 | E1795-S1799 VanDerWaalsContact O-CB 3.27Å; E1795-S1799 WeakPolarHBondContact O-CB 3.48Å; E1795-S1799 PolarHBondContact O-N 2.78Å; E1795-S1799 PolarHBondContact O-OG 3.06Å; A1797-S1799 VanDerWaalsContact C-N 3.35Å; A1797-S1799 PolarHBondContact O-N 2.78Å; S1799-L1801 PolarHBondContact O-N 2.88Å; S1799-Q1806 VanDerWaalsContact CA-O 3.25Å; S1799-Q1806 WeakPolarHBondContact CA-O 3.37Å; S1799-Q1806 VanDerWaalsContact CB-O 3.27Å; S1799-Q1806 WeakPolarHBondContact CB-O 3.35Å; S1799-Q1806 PolarHBondContact O-N 3.45Å; S1799-Q1806 PolarHBondContact OG-O 2.98Å; S1799-I1808 PolarHBondContact OG-N 2.91Å; S1799-I1808 PolarHBondContact OG-O 3.25Å |
| 1800 | D | 75.2 | Confident | 76 | Confident | 72 Ų | 72 | 54.5 Ų | 54.5 | 39% | 0.385 | 28% | 0.278 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.3 | 62.2 | -169.7 | -161.5 | 14.4 | 0 | 0 | 0 | 113.7 | K1735 S1796 M1798 G1802 K1805 | K1735-D1800 PolarHBondContact NZ-O 2.7Å; S1796-D1800 WeakPolarHBondContact O-CB 3.23Å; S1796-D1800 PolarHBondContact O-N 3.23Å; M1798-D1800 PolarHBondContact O-N 3.12Å; D1800-G1802 PolarHBondContact O-N 3Å; D1800-K1805 VanDerWaalsContact CG-NZ 3.26Å; D1800-K1805 IonicContact OD1-NZ 2.82Å; D1800-K1805 PolarHBondContact OD1-NZ 3.38Å; D1800-K1805 IonicContact OD2-NZ 3.62Å |
| 1801 | L | 65 | Low | 75.7 | Confident | 11 Ų | 11 | 54.2 Ų | 54.2 | 6% | 0.058 | 28% | 0.277 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -77.1 | 42.4 | 176.3 | -71 | 167.8 | 0 | 0 | 0 | 113.6 | V1727 V1730 S1732 S1799 Q1803 K1804 | V1727-L1801 HydrophobicContact CB-CB 4.12Å; V1727-L1801 HydrophobicContact CB-CD2 4.06Å; V1727-L1801 HydrophobicContact CG1-CB 4.3Å; V1727-L1801 WeakPolarHBondContact CG1-O 3.42Å; V1727-L1801 HydrophobicContact CG2-CB 4.44Å; V1727-L1801 HydrophobicContact CG2-CD1 4.24Å; V1727-L1801 HydrophobicContact CG2-CD2 4.31Å; V1730-L1801 WeakPolarHBondContact O-CD2 3.4Å; S1732-L1801 WeakPolarHBondContact OG-CD1 3.3Å; S1799-L1801 PolarHBondContact O-N 2.88Å; L1801-Q1803 PolarHBondContact O-N 2.87Å; L1801-K1804 CarbonylContact C-O 3.51Å; L1801-K1804 WeakPolarHBondContact CA-O 3.49Å; L1801-K1804 HydrophobicContact CB-CB 4.4Å; L1801-K1804 WeakPolarHBondContact CB-O 3.18Å; L1801-K1804 PolarHBondContact N-O 2.89Å; L1801-K1804 PolarHBondContact O-N 2.84Å |
| 1802 | G | 62.7 | Low | 75.5 | Confident | 41 Ų | 41 | 54.3 Ų | 54.3 | 42% | 0.423 | 28% | 0.279 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 70.5 | -111.5 | 173.1 | 0 | 0 | 0 | 0 | 0 | 112.4 | D1800 | D1800-G1802 PolarHBondContact O-N 3Š|
| 1803 | Q | 53.2 | Low | 75.6 | Confident | 186 Ų | 186 | 51.6 Ų | 51.6 | 87% | 0.869 | 27% | 0.268 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -74.7 | -26.9 | 177.5 | -63.5 | -162.9 | 24.2 | 0 | 0 | 113.5 | L1801 | L1801-Q1803 PolarHBondContact O-N 2.87Š|
| 1804 | K | 54.5 | Low | 75.6 | Confident | 109 Ų | 109 | 48.1 Ų | 48.1 | 47% | 0.474 | 25% | 0.253 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.2 | 116.5 | 165.8 | -85 | -170.3 | 170.7 | -169.4 | 0 | 108.5 | L1801 | L1801-K1804 CarbonylContact C-O 3.51Å; L1801-K1804 WeakPolarHBondContact CA-O 3.49Å; L1801-K1804 HydrophobicContact CB-CB 4.4Å; L1801-K1804 WeakPolarHBondContact CB-O 3.18Å; L1801-K1804 PolarHBondContact N-O 2.89Å; L1801-K1804 PolarHBondContact O-N 2.84Å |
| 1805 | K | 55.3 | Low | 75.4 | Confident | 156 Ų | 156 | 48.5 Ų | 48.5 | 68% | 0.678 | 26% | 0.255 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -106.6 | 120.5 | 162.5 | -72.6 | -177.8 | 179.4 | -75.9 | 0 | 108.2 | D1800 | D1800-K1805 VanDerWaalsContact CG-NZ 3.26Å; D1800-K1805 IonicContact OD1-NZ 2.82Å; D1800-K1805 PolarHBondContact OD1-NZ 3.38Å; D1800-K1805 IonicContact OD2-NZ 3.62Å |
| 1806 | Q | 67.8 | Low | 74.7 | Confident | 69 Ų | 69 | 49 Ų | 49 | 32% | 0.322 | 26% | 0.258 | S | S | . | . | trans | -134.4 | 122.7 | -178.7 | -177.1 | 163.6 | -23.6 | 0 | 0 | 105.6 | G1717 S1799 I1808 | G1717-Q1806 PolarHBondContact O-NE2 2.76Å; S1799-Q1806 VanDerWaalsContact CA-O 3.25Å; S1799-Q1806 WeakPolarHBondContact CA-O 3.37Å; S1799-Q1806 VanDerWaalsContact CB-O 3.27Å; S1799-Q1806 WeakPolarHBondContact CB-O 3.35Å; S1799-Q1806 PolarHBondContact O-N 3.45Å; S1799-Q1806 PolarHBondContact OG-O 2.98Å; Q1806-I1808 PolarHBondContact O-N 3.01Å | ||
| 1807 | E | 76.2 | Confident | 74.1 | Confident | 125 Ų | 125 | 46.6 Ų | 46.6 | 58% | 0.584 | 24% | 0.241 | S | C | * | . | trans | -73.2 | 113.1 | -175.1 | -170.1 | 172.4 | -174 | 0 | 0 | 109.1 | L1809 R1949 | E1807-L1809 HydrophobicContact CG-CD2 3.68Å; E1807-L1809 HydrophobicContact CG-CG 4.03Å; E1807-L1809 WeakPolarHBondContact OE1-CD2 3.34Å; E1807-R1949 IonicContact OE1-CZ 3.88Å; E1807-R1949 IonicContact OE1-NH1 2.62Å; E1807-R1949 PolarHBondContact OE1-NH1 3.07Å; E1807-R1949 IonicContact OE1-NH2 2.7Å | ||
| 1808 | I | 83.5 | Confident | 73.5 | Confident | 1 Ų | 1 | 46.3 Ų | 46.3 | 1% | 0.005 | 24% | 0.237 | C | C | . | . | trans | -107.1 | 117.5 | 175.9 | -58.8 | -177.5 | 0 | 0 | 0 | 107.6 | I1715 Q1716 V1718 M1798 S1799 Q1806 | I1715-I1808 HydrophobicContact CB-CG2 4.33Å; I1715-I1808 HydrophobicContact CD1-CG2 3.89Å; I1715-I1808 HydrophobicContact CG1-CG2 4.48Å; Q1716-I1808 WeakPolarHBondContact O-CA 3.21Å; V1718-I1808 HydrophobicContact CB-CD1 3.78Å; V1718-I1808 HydrophobicContact CB-CG1 4.08Å; V1718-I1808 HydrophobicContact CG1-CD1 4.03Å; V1718-I1808 HydrophobicContact CG1-CG1 4.41Å; V1718-I1808 HydrophobicContact CG1-CG2 4.19Å; V1718-I1808 HydrophobicContact CG2-CD1 3.96Å; M1798-I1808 HydrophobicContact CB-CB 4.12Å; M1798-I1808 HydrophobicContact CB-CD1 4.2Å; M1798-I1808 HydrophobicContact CB-CG2 4.06Å; M1798-I1808 HydrophobicContact CE-CG2 4.13Å; M1798-I1808 HydrophobicContact SD-CG2 4.34Å; S1799-I1808 PolarHBondContact OG-N 2.91Å; S1799-I1808 PolarHBondContact OG-O 3.25Å; Q1806-I1808 PolarHBondContact O-N 3.01Å | ||
| 1809 | L | 82.2 | Confident | 72.2 | Confident | 24 Ų | 24 | 49.1 Ų | 49.1 | 13% | 0.126 | 26% | 0.26 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.2 | 147.4 | -175.1 | -61.6 | -173.4 | 0 | 0 | 0 | 111.4 | I1715 Q1716 E1807 | I1715-L1809 CarbonylContact C-O 3.51Å; I1715-L1809 WeakPolarHBondContact CA-O 3.36Å; I1715-L1809 WeakPolarHBondContact CB-O 3.3Å; Q1716-L1809 PolarHBondContact N-O 2.92Å; Q1716-L1809 PolarHBondContact O-N 2.89Å; E1807-L1809 HydrophobicContact CG-CD2 3.68Å; E1807-L1809 HydrophobicContact CG-CG 4.03Å; E1807-L1809 WeakPolarHBondContact OE1-CD2 3.34Å |
| 1810 | I | 83.8 | Confident | 71 | Confident | 6 Ų | 6 | 55.5 Ų | 55.5 | 3% | 0.031 | 29% | 0.292 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.1 | 119 | 167.5 | -65.9 | 169.4 | 0 | 0 | 0 | 107.4 | L1713 I1715 R1791 L1794 E1795 M1798 V1813 | L1713-I1810 HydrophobicContact CD1-CB 4.41Å; L1713-I1810 HydrophobicContact CD1-CD1 4.23Å; L1713-I1810 HydrophobicContact CD1-CG1 4.14Å; L1713-I1810 HydrophobicContact CD1-CG2 3.46Å; L1713-I1810 VanDerWaalsContact CD1-CG2 3.46Å; I1715-I1810 HydrophobicContact CG2-CG1 4.09Å; R1791-I1810 HydrophobicContact CG-CB 4.49Å; R1791-I1810 HydrophobicContact CG-CD1 4.16Å; R1791-I1810 PolarHBondContact NH1-O 2.79Å; L1794-I1810 HydrophobicContact CB-CD1 4.08Å; L1794-I1810 HydrophobicContact CD1-CD1 4.45Å; E1795-I1810 HydrophobicContact CG-CB 4.39Å; E1795-I1810 HydrophobicContact CG-CD1 4.21Å; E1795-I1810 HydrophobicContact CG-CG1 4.02Å; E1795-I1810 PolarHBondContact OE1-N 2.66Å; M1798-I1810 HydrophobicContact CE-CD1 4.36Å; M1798-I1810 HydrophobicContact CE-CG1 4.1Å; I1810-V1813 HydrophobicContact CG2-CG2 3.73Å |
| 1811 | V | 77.9 | Confident | 70.2 | Confident | 18 Ų | 18 | 56.1 Ų | 56.1 | 11% | 0.109 | 29% | 0.292 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -81.6 | -61.2 | 176.6 | -174.3 | 0 | 0 | 0 | 0 | 109.3 | R1714 Q1716 V1952 | R1714-V1811 HydrophobicContact CB-CB 4.44Å; R1714-V1811 HydrophobicContact CG-CB 4.05Å; R1714-V1811 HydrophobicContact CG-CG2 4.33Å; R1714-V1811 PolarHBondContact O-N 2.81Å; Q1716-V1811 HydrophobicContact CB-CG2 3.46Å; Q1716-V1811 VanDerWaalsContact CB-CG2 3.46Å; V1811-V1952 HydrophobicContact CG1-CG1 4.25Å |
| 1812 | D | 79.9 | Confident | 69.6 | Low | 30 Ų | 30 | 60.8 Ų | 60.8 | 16% | 0.16 | 32% | 0.321 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.2 | 150.7 | -175.9 | -167.5 | 25 | 0 | 0 | 0 | 111.7 | R1714 L1815 K2050 | R1714-D1812 HydrophobicContact CB-CB 4.45Å; R1714-D1812 PolarHBondContact N-O 2.82Å; R1714-D1812 PolarHBondContact O-N 2.79Å; D1812-L1815 HydrophobicContact CB-CD2 4.21Å; D1812-K2050 IonicContact OD2-NZ 2.69Å |
| 1813 | V | 81.5 | Confident | 69.3 | Low | 0 Ų | 0 | 59.4 Ų | 59.4 | 0% | 0 | 31% | 0.305 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.7 | 131.5 | 178.6 | 175.8 | 0 | 0 | 0 | 0 | 107.3 | L1713 H1784 L1787 E1788 I1810 F2051 | L1713-V1813 HydrophobicContact CD1-CG2 3.73Å; H1784-V1813 HydrophobicContact CB-CG1 3.96Å; L1787-V1813 HydrophobicContact CB-CG1 3.99Å; L1787-V1813 HydrophobicContact CB-CG2 4.37Å; L1787-V1813 HydrophobicContact CD1-CG1 3.93Å; E1788-V1813 HydrophobicContact CG-CG1 4.44Å; E1788-V1813 WeakPolarHBondContact OE1-CG2 3.38Å; I1810-V1813 HydrophobicContact CG2-CG2 3.73Å; V1813-F2051 HydrophobicContact CB-CE1 4.49Å; V1813-F2051 HydrophobicContact CG1-CE1 4.27Å |
| 1814 | N | 82.4 | Confident | 69.4 | Low | 31 Ų | 31 | 54.4 Ų | 54.4 | 17% | 0.166 | 29% | 0.291 | C | S | . | . | S | Bend | trans | 62.7 | 69.7 | -166.8 | -162 | 13.9 | 0 | 0 | 0 | 111.6 | S1712 H1784 D1816 K2050 | S1712-N1814 PolarHBondContact O-N 2.82Å; S1712-N1814 WeakPolarHBondContact OG-CA 3.3Å; H1784-N1814 HydrophobicContact CB-CB 4.47Å; H1784-N1814 PolarHBondContact CD2-N 2.99Å; H1784-N1814 PolarHBondContact CE1-OD1 2.8Å; H1784-N1814 WeakPolarHBondContact NE2-CA 3.3Å; H1784-N1814 WeakPolarHBondContact NE2-CB 3.24Å; H1784-N1814 PolarHBondContact NE2-OD1 3.11Å; N1814-D1816 PolarHBondContact O-N 2.82Å; N1814-K2050 HydrophobicContact CB-CB 4.47Å; N1814-K2050 HydrophobicContact CB-CD 4.33Å; N1814-K2050 PolarHBondContact ND2-O 2.81Å; N1814-K2050 PolarHBondContact O-NZ 3.5Å |
| 1815 | L | 80.8 | Confident | 69.7 | Low | 11 Ų | 11 | 54 Ų | 54 | 6% | 0.058 | 29% | 0.29 | C | S | . | . | trans | -56.8 | 122.3 | 167.9 | -71.1 | 168.6 | 0 | 0 | 0 | 108.6 | S1712 R1714 D1767 D1812 L1854 | S1712-L1815 PolarHBondContact OG-N 3.16Å; R1714-L1815 HydrophobicContact CB-CD1 4.11Å; R1714-L1815 HydrophobicContact CB-CD2 3.88Å; R1714-L1815 HydrophobicContact CB-CG 4.28Å; D1767-L1815 HydrophobicContact CB-CD1 4.09Å; D1812-L1815 HydrophobicContact CB-CD2 4.21Å; L1815-L1854 HydrophobicContact CB-CD1 3.55Å; L1815-L1854 VanDerWaalsContact O-CD1 3.3Å; L1815-L1854 WeakPolarHBondContact O-CD1 3.05Å | ||
| 1816 | D | 71.6 | Confident | 70.2 | Confident | 17 Ų | 17 | 46.7 Ų | 46.7 | 9% | 0.091 | 26% | 0.259 | C | S | . | . | trans | -146.4 | 114.3 | -168.5 | 172.5 | 37.1 | 0 | 0 | 0 | 109.9 | N1814 C1818 A1819 S1829 N2048 | N1814-D1816 PolarHBondContact O-N 2.82Å; D1816-C1818 PolarHBondContact O-N 3.06Å; D1816-C1818 WeakPolarHBondContact OD1-CB 3.5Å; D1816-C1818 PolarHBondContact OD1-N 3.28Å; D1816-A1819 PolarHBondContact O-N 2.97Å; D1816-S1829 VanDerWaalsContact OD1-CB 3.24Å; D1816-S1829 WeakPolarHBondContact OD1-CB 3.49Å; D1816-S1829 PolarHBondContact OD1-OG 2.8Å; D1816-N2048 PolarHBondContact OD2-ND2 2.81Å | ||
| 1817 | P | 70.5 | Confident | 70.2 | Confident | 25 Ų | 25 | 43.8 Ų | 43.8 | 16% | 0.162 | 25% | 0.246 | C | C | . | . | G | 310 helix | trans | -61.4 | -28.1 | 175.6 | 22.2 | -32.5 | 0 | 0 | 0 | 113.1 | A1819 L1820 E1821 L1854 Y1856 | P1817-A1819 PolarHBondContact O-N 2.9Å; P1817-L1820 PolarHBondContact O-N 2.96Å; P1817-E1821 HydrophobicContact CB-CG 4.2Å; P1817-E1821 WeakPolarHBondContact O-CG 3.48Å; P1817-E1821 PolarHBondContact O-N 3.09Å; P1817-L1854 HydrophobicContact CG-CB 4.45Å; P1817-Y1856 HydrophobicContact CB-CD1 4.15Å; P1817-Y1856 HydrophobicContact CG-CD1 4.48Å |
| 1818 | C | 69.3 | Low | 70.1 | Confident | 17 Ų | 17 | 39.1 Ų | 39.1 | 12% | 0.115 | 23% | 0.227 | C | C | . | . | G | 310 helix | trans | -66.3 | 3.6 | 177.3 | -62.5 | 0 | 0 | 0 | 0 | 114.7 | D1816 C1827 S1828 N2048 | D1816-C1818 PolarHBondContact O-N 3.06Å; D1816-C1818 WeakPolarHBondContact OD1-CB 3.5Å; D1816-C1818 PolarHBondContact OD1-N 3.28Å; C1818-C1827 VanDerWaalsContact CA-SG 3.57Å; C1818-C1827 HydrophobicContact CB-CB 3.62Å; C1818-C1827 WeakPolarHBondContact CB-SG 3.35Å; C1818-C1827 WeakPolarHBondContact SG-CB 3.08Å; C1818-C1827 CovalentContact SG-SG 2.04Å; C1818-C1827 PolarHBondContact SG-SG 3.03Å; C1818-S1828 VanDerWaalsContact SG-C 3.59Å; C1818-S1828 PolarHBondContact SG-N 2.79Å; C1818-N2048 PolarHBondContact O-ND2 3.5Å; C1818-N2048 VanDerWaalsContact O-ND2 3.15Å |
| 1819 | A | 60.9 | Low | 69.7 | Low | 59 Ų | 59 | 41.4 Ų | 41.4 | 49% | 0.488 | 24% | 0.244 | S | C | . | . | G | 310 helix | trans | -91.5 | -9.8 | 169 | 0 | 0 | 0 | 0 | 0 | 113.8 | D1816 P1817 | D1816-A1819 PolarHBondContact O-N 2.97Å; P1817-A1819 PolarHBondContact O-N 2.9Å |
| 1820 | L | 57.9 | Low | 69.5 | Low | 158 Ų | 158 | 43.9 Ų | 43.9 | 83% | 0.827 | 25% | 0.253 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -125.4 | -33.7 | 179.3 | -65.4 | 173.3 | 0 | 0 | 0 | 112.5 | P1817 | P1817-L1820 PolarHBondContact O-N 2.96Š|
| 1821 | E | 58.2 | Low | 69.5 | Low | 84 Ų | 84 | 45 Ų | 45 | 39% | 0.393 | 26% | 0.261 | S | S | . | . | S | Bend | trans | -79.9 | 134.5 | -176.8 | -58.5 | -67.2 | 155.1 | 0 | 0 | 112.5 | P1817 Y1856 | P1817-E1821 HydrophobicContact CB-CG 4.2Å; P1817-E1821 WeakPolarHBondContact O-CG 3.48Å; P1817-E1821 PolarHBondContact O-N 3.09Å; E1821-Y1856 HydrophobicContact CB-CD2 4.11Å; E1821-Y1856 HydrophobicContact CB-CE1 4.26Å; E1821-Y1856 HydrophobicContact CB-CE2 3.85Å; E1821-Y1856 HydrophobicContact CB-CG 4.43Å; E1821-Y1856 HydrophobicContact CG-CD1 3.83Å; E1821-Y1856 HydrophobicContact CG-CD2 4.32Å; E1821-Y1856 HydrophobicContact CG-CE1 3.52Å; E1821-Y1856 HydrophobicContact CG-CE2 4.06Å; E1821-Y1856 HydrophobicContact CG-CG 4.22Å; E1821-Y1856 VanDerWaalsContact OE2-CZ 3.22Å; E1821-Y1856 PolarHBondContact OE2-OH 2.94Å |
| 1822 | T | 51.4 | Low | 69.6 | Low | 109 Ų | 109 | 47.4 Ų | 47.4 | 67% | 0.669 | 27% | 0.273 | S | S | * | . | trans | -93.6 | 107.2 | 179.6 | 46.4 | 0 | 0 | 0 | 0 | 112.5 | ||||
| 1823 | C | 55.9 | Low | 69.5 | Low | 13 Ų | 13 | 48.4 Ų | 48.4 | 9% | 0.088 | 28% | 0.28 | C | S | . | . | trans | -105.3 | 140 | 167.4 | -66.9 | 0 | 0 | 0 | 0 | 110.8 | H1825 A1826 C1827 C1858 Q2046 | C1823-H1825 PolarHBondContact O-N 3.29Å; C1823-A1826 WeakPolarHBondContact CB-O 3.43Å; C1823-C1827 HydrophobicContact CB-CB 4.09Å; C1823-C1827 VanDerWaalsContact SG-SG 3.69Å; C1823-C1858 HydrophobicContact CB-CB 3.57Å; C1823-C1858 WeakPolarHBondContact CB-SG 3.23Å; C1823-C1858 WeakPolarHBondContact SG-CA 3.44Å; C1823-C1858 WeakPolarHBondContact SG-CB 3.25Å; C1823-C1858 CovalentContact SG-SG 2.04Å; C1823-C1858 PolarHBondContact SG-SG 3.04Å; C1823-Q2046 PolarHBondContact O-NE2 2.91Å | ||
| 1824 | S | 56.7 | Low | 69.1 | Low | 80 Ų | 80 | 50 Ų | 50 | 56% | 0.559 | 30% | 0.296 | S | S | * | . | S | Bend | trans | -65 | -38.6 | -175.2 | 54.5 | 0 | 0 | 0 | 0 | 115.1 | Q1922 Q2046 | S1824-Q1922 PolarHBondContact O-NE2 2.91Å; S1824-Q1922 VanDerWaalsContact O-NE2 3.13Å; S1824-Q2046 PolarHBondContact O-NE2 3.19Å |
| 1825 | H | 60.8 | Low | 68.4 | Low | 101 Ų | 101 | 52.6 Ų | 52.6 | 47% | 0.468 | 31% | 0.31 | S | S | . | . | S | Bend | trans | -121.6 | -27.9 | -172.5 | -56.7 | -62.1 | 0 | 0 | 0 | 115.4 | C1823 C1921 Q1922 | C1823-H1825 PolarHBondContact O-N 3.29Å; H1825-C1921 CarbonylContact O-C 3.57Å; H1825-C1921 WeakPolarHBondContact O-CA 3.42Å; H1825-Q1922 PolarHBondContact ND1-OE1 2.8Å; H1825-Q1922 VanDerWaalsContact O-CB 3.29Å; H1825-Q1922 WeakPolarHBondContact O-CB 3.01Å; H1825-Q1922 PolarHBondContact O-N 2.84Å |
| 1826 | A | 66.1 | Low | 68.1 | Low | 2 Ų | 2 | 54.8 Ų | 54.8 | 2% | 0.017 | 33% | 0.326 | C | S | . | . | B | Isolated β-bridge | trans | -172.8 | 159.5 | -178.9 | 0 | 0 | 0 | 0 | 0 | 110.5 | C1823 C1858 C1860 S1920 C1921 | C1823-A1826 WeakPolarHBondContact CB-O 3.43Å; A1826-C1858 CarbonylContact O-C 3.47Å; A1826-C1858 WeakPolarHBondContact O-CA 3.31Å; A1826-C1860 HydrophobicContact CB-CB 3.65Å; A1826-S1920 VanDerWaalsContact CB-O 3.3Å; A1826-S1920 WeakPolarHBondContact CB-O 3.3Å; A1826-C1921 HydrophobicContact CB-CB 4.13Å |
| 1827 | C | 68 | Low | 68.6 | Low | 9 Ų | 9 | 55.1 Ų | 55.1 | 6% | 0.061 | 33% | 0.328 | C | S | . | . | trans | -139.8 | 144.4 | 172.3 | -170.2 | 0 | 0 | 0 | 0 | 111.1 | C1818 C1823 K1857 | C1818-C1827 VanDerWaalsContact CA-SG 3.57Å; C1818-C1827 HydrophobicContact CB-CB 3.62Å; C1818-C1827 WeakPolarHBondContact CB-SG 3.35Å; C1818-C1827 WeakPolarHBondContact SG-CB 3.08Å; C1818-C1827 CovalentContact SG-SG 2.04Å; C1818-C1827 PolarHBondContact SG-SG 3.03Å; C1823-C1827 HydrophobicContact CB-CB 4.09Å; C1823-C1827 VanDerWaalsContact SG-SG 3.69Å; C1827-K1857 CarbonylContact C-O 3.56Å; C1827-K1857 WeakPolarHBondContact CA-O 3.38Å | ||
| 1828 | S | 72.8 | Confident | 69.3 | Low | 26 Ų | 26 | 56 Ų | 56 | 18% | 0.182 | 33% | 0.33 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -139.7 | 146.8 | 173.5 | 66.7 | 0 | 0 | 0 | 0 | 111.5 | C1818 Y1856 K1857 | C1818-S1828 VanDerWaalsContact SG-C 3.59Å; C1818-S1828 PolarHBondContact SG-N 2.79Å; S1828-Y1856 CarbonylContact O-C 3.6Å; S1828-Y1856 VanDerWaalsContact O-CA 3.23Å; S1828-Y1856 WeakPolarHBondContact O-CA 3.12Å; S1828-K1857 PolarHBondContact N-O 3.17Å; S1828-K1857 PolarHBondContact O-N 2.83Å; S1828-K1857 PolarHBondContact OG-O 2.84Å |
| 1829 | S | 75.2 | Confident | 70.1 | Confident | 50 Ų | 50 | 57.4 Ų | 57.4 | 35% | 0.35 | 34% | 0.339 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.1 | 147.8 | -175.8 | 45.4 | 0 | 0 | 0 | 0 | 113 | D1816 S1855 | D1816-S1829 VanDerWaalsContact OD1-CB 3.24Å; D1816-S1829 WeakPolarHBondContact OD1-CB 3.49Å; D1816-S1829 PolarHBondContact OD1-OG 2.8Å; S1829-S1855 VanDerWaalsContact CA-O 3.3Å; S1829-S1855 WeakPolarHBondContact CA-O 3.23Å |
| 1830 | F | 79 | Confident | 71.2 | Confident | 75 Ų | 75 | 55.1 Ų | 55.1 | 33% | 0.329 | 32% | 0.319 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -150.4 | 159.9 | -176.7 | 67.1 | -71.2 | 0 | 0 | 0 | 111.4 | N1832 S1855 K1857 | F1830-N1832 VanDerWaalsContact CE2-OD1 3.26Å; F1830-N1832 WeakPolarHBondContact CE2-OD1 3.03Å; F1830-S1855 WeakPolarHBondContact CD1-O 3.07Å; F1830-S1855 WeakPolarHBondContact CE1-OG 3.1Å; F1830-S1855 WeakPolarHBondContact CE2-OG 3.44Å; F1830-S1855 WeakPolarHBondContact CZ-OG 3.44Å; F1830-S1855 PolarHBondContact N-O 2.71Å; F1830-S1855 PolarHBondContact O-N 3.18Å; F1830-S1855 PolarHBondContact O-OG 2.9Å; F1830-K1857 HydrophobicContact CE1-CD 4.01Å; F1830-K1857 HydrophobicContact CE1-CG 3.8Å; F1830-K1857 HydrophobicContact CZ-CG 4.48Å |
| 1831 | V | 82.2 | Confident | 72.2 | Confident | 31 Ų | 31 | 50.6 Ų | 50.6 | 19% | 0.188 | 30% | 0.295 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.2 | 122.3 | -173.7 | 178.9 | 0 | 0 | 0 | 0 | 110.6 | T1710 Y1769 A1852 S1853 L1854 | T1710-V1831 HydrophobicContact CG2-CG2 3.92Å; Y1769-V1831 HydrophobicContact CD1-CG2 4.41Å; Y1769-V1831 HydrophobicContact CE1-CG2 4.42Å; V1831-A1852 HydrophobicContact CG1-CB 4Å; V1831-S1853 CarbonylContact C-O 3.57Å; V1831-S1853 WeakPolarHBondContact CA-O 3.21Å; V1831-L1854 HydrophobicContact CG2-CD2 3.86Å |
| 1832 | N | 80.7 | Confident | 72.9 | Confident | 68 Ų | 68 | 46.6 Ų | 46.6 | 36% | 0.364 | 28% | 0.277 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.8 | 148.7 | 170.7 | -65 | -42.9 | 0 | 0 | 0 | 110.4 | F1830 A1852 S1853 S1855 | F1830-N1832 VanDerWaalsContact CE2-OD1 3.26Å; F1830-N1832 WeakPolarHBondContact CE2-OD1 3.03Å; N1832-A1852 WeakPolarHBondContact O-CA 3.22Å; N1832-S1853 PolarHBondContact N-O 3.14Å; N1832-S1853 PolarHBondContact O-N 2.93Å; N1832-S1855 PolarHBondContact ND2-OG 3.32Å |
| 1833 | V | 78.3 | Confident | 73.9 | Confident | 51 Ų | 51 | 44.3 Ų | 44.3 | 31% | 0.309 | 26% | 0.26 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.8 | 116.9 | 174.6 | 172 | 0 | 0 | 0 | 0 | 108.7 | L1707 L1850 | L1707-V1833 HydrophobicContact CD1-CG2 3.76Å; L1707-V1833 HydrophobicContact CD2-CG2 3.67Å; L1707-V1833 HydrophobicContact CG-CG2 4.38Å; V1833-L1850 HydrophobicContact CG1-CB 4.11Å; V1833-L1850 HydrophobicContact CG1-CD1 4.12Å; V1833-L1850 HydrophobicContact CG1-CD2 4.19Å; V1833-L1850 HydrophobicContact CG1-CG 4.37Å; V1833-L1850 HydrophobicContact CG2-CD1 3.98Å |
| 1834 | G | 72.3 | Confident | 74.9 | Confident | 32 Ų | 32 | 50.3 Ų | 50.3 | 33% | 0.33 | 28% | 0.281 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -73 | 156.6 | 174.9 | 0 | 0 | 0 | 0 | 0 | 112.7 | S1836 N1851 | G1834-S1836 PolarHBondContact O-N 3Å; G1834-N1851 PolarHBondContact N-O 3.47Å |
| 1835 | D | 69 | Low | 76.1 | Confident | 86 Ų | 86 | 48.2 Ų | 48.2 | 46% | 0.46 | 27% | 0.266 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -73.4 | 20 | -175.2 | -141.5 | 41.1 | 0 | 0 | 0 | 113.2 | N1625 K1626 | N1625-D1835 PolarHBondContact ND2-OD1 3.16Å; K1626-D1835 WeakPolarHBondContact CE-O 3.21Å; K1626-D1835 PolarHBondContact NZ-O 3.44Å; K1626-D1835 VanDerWaalsContact NZ-O 3.1Å; K1626-D1835 IonicContact NZ-OD2 3.57Å; K1626-D1835 PolarHBondContact NZ-OD2 3.27Å |
| 1836 | S | 74 | Confident | 77.3 | Confident | 58 Ų | 58 | 43.5 Ų | 43.5 | 41% | 0.406 | 25% | 0.245 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -143 | 155.4 | -176.3 | 61.1 | 0 | 0 | 0 | 0 | 111.9 | G1834 N1851 | G1834-S1836 PolarHBondContact O-N 3Å; S1836-N1851 VanDerWaalsContact O-CB 3.25Å; S1836-N1851 WeakPolarHBondContact O-CB 3.31Å; S1836-N1851 PolarHBondContact O-N 3.27Å; S1836-N1851 VanDerWaalsContact O-N 3.16Å |
| 1837 | L | 82.7 | Confident | 78.4 | Confident | 23 Ų | 23 | 43.8 Ų | 43.8 | 12% | 0.12 | 25% | 0.246 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -100.2 | 137.1 | 174.6 | -58.5 | -173.1 | 0 | 0 | 0 | 111.1 | V1618 V1628 I1630 A1848 G1849 L1850 | V1618-L1837 HydrophobicContact CG1-CD1 3.9Å; V1628-L1837 HydrophobicContact CB-CD1 4.38Å; V1628-L1837 HydrophobicContact CB-CG 4.39Å; V1628-L1837 HydrophobicContact CG2-CD1 3.6Å; V1628-L1837 HydrophobicContact CG2-CG 4.08Å; I1630-L1837 HydrophobicContact CG2-CD1 4.17Å; L1837-A1848 HydrophobicContact CB-CB 4.49Å; L1837-A1848 HydrophobicContact CD1-CB 4.12Å; L1837-G1849 CarbonylContact C-O 3.39Å; L1837-G1849 WeakPolarHBondContact CA-O 3.49Å; L1837-G1849 VanDerWaalsContact CB-O 3.28Å; L1837-G1849 WeakPolarHBondContact CB-O 3.45Å; L1837-G1849 WeakPolarHBondContact CD2-O 3.42Å; L1837-L1850 HydrophobicContact CD2-CD2 3.9Å |
| 1838 | I | 84.7 | Confident | 79.5 | Confident | 43 Ų | 43 | 43.3 Ų | 43.3 | 22% | 0.221 | 24% | 0.243 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -82.8 | 118.5 | 169.9 | -59.1 | 177.2 | 0 | 0 | 0 | 108 | I1757 V1840 A1848 G1849 N1851 | I1757-I1838 HydrophobicContact CD1-CD1 3.78Å; I1757-I1838 HydrophobicContact CG1-CD1 3.66Å; I1838-V1840 HydrophobicContact CG2-CG2 4.08Å; I1838-A1848 CarbonylContact O-C 3.6Å; I1838-A1848 WeakPolarHBondContact O-CA 3.25Å; I1838-G1849 PolarHBondContact N-O 2.78Å; I1838-G1849 PolarHBondContact O-N 2.9Å; I1838-N1851 HydrophobicContact CD1-CB 4.17Å; I1838-N1851 HydrophobicContact CG1-CB 3.92Å |
| 1839 | V | 84.8 | Confident | 80.3 | Confident | 47 Ų | 47 | 42.2 Ų | 42.2 | 29% | 0.285 | 24% | 0.236 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.9 | 97.9 | -176.2 | -179.8 | 0 | 0 | 0 | 0 | 110.2 | E1629 V1846 V1847 A1848 | E1629-V1839 WeakPolarHBondContact O-CG2 3.3Å; V1839-V1846 HydrophobicContact CG1-CG1 3.72Å; V1839-V1847 WeakPolarHBondContact CA-O 3.08Å; V1839-A1848 HydrophobicContact CG2-CB 4.19Å |
| 1840 | V | 84.4 | Confident | 80.9 | Confident | 12 Ų | 12 | 39.9 Ų | 39.9 | 7% | 0.073 | 22% | 0.219 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -90.8 | 110.1 | 178 | -176 | 0 | 0 | 0 | 0 | 109.6 | A1720 V1724 I1756 I1838 V1846 V1847 | A1720-V1840 HydrophobicContact CB-CG1 3.73Å; A1720-V1840 HydrophobicContact CB-CG2 4.03Å; A1720-V1840 WeakPolarHBondContact O-CG1 3.05Å; V1724-V1840 HydrophobicContact CB-CG1 4Å; V1724-V1840 HydrophobicContact CG2-CB 4.21Å; V1724-V1840 HydrophobicContact CG2-CG1 3.62Å; I1756-V1840 HydrophobicContact CB-CG2 4.13Å; I1756-V1840 HydrophobicContact CG2-CG2 4.1Å; I1838-V1840 HydrophobicContact CG2-CG2 4.08Å; V1840-V1846 CarbonylContact O-C 3.57Å; V1840-V1846 VanDerWaalsContact O-CA 3.29Å; V1840-V1846 WeakPolarHBondContact O-CA 3.38Å; V1840-V1846 WeakPolarHBondContact O-CG1 3.36Å; V1840-V1847 PolarHBondContact N-O 3.42Å; V1840-V1847 PolarHBondContact O-N 2.91Å |
| 1841 | N | 79.7 | Confident | 81.2 | Confident | 62 Ų | 62 | 39.1 Ų | 39.1 | 33% | 0.332 | 22% | 0.219 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.5 | 85.8 | -170.5 | 177.9 | 21.9 | 0 | 0 | 0 | 113.3 | E1721 N1843 V1846 | E1721-N1841 WeakPolarHBondContact CG-O 3.41Å; N1841-N1843 PolarHBondContact O-N 3.2Å; N1841-N1843 WeakPolarHBondContact OD1-CA 3.42Å; N1841-N1843 PolarHBondContact OD1-N 3.43Å; N1841-N1843 VanDerWaalsContact OD1-N 3.16Å; N1841-V1846 HydrophobicContact CB-CG1 4.48Å; N1841-V1846 WeakPolarHBondContact OD1-CG2 3.3Å |
| 1842 | G | 73.4 | Confident | 81.3 | Confident | 1 Ų | 1 | 37.7 Ų | 37.7 | 1% | 0.01 | 21% | 0.21 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -74.5 | 36.9 | 170.6 | 0 | 0 | 0 | 0 | 0 | 114.7 | R1844 S1845 | G1842-R1844 VanDerWaalsContact C-N 3.28Å; G1842-R1844 PolarHBondContact O-N 2.8Å; G1842-S1845 CarbonylContact C-O 3.49Å; G1842-S1845 WeakPolarHBondContact CA-O 3.45Å; G1842-S1845 PolarHBondContact N-O 2.81Å; G1842-S1845 PolarHBondContact O-N 3.35Å |
| 1843 | N | 72.2 | Confident | 81.2 | Confident | 60 Ų | 60 | 37.3 Ų | 37.3 | 32% | 0.321 | 21% | 0.213 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 57.4 | -67.6 | -173.8 | -74.4 | -65.5 | 0 | 0 | 0 | 116.1 | Y1634 N1841 | Y1634-N1843 HydrophobicContact CD2-CB 4.37Å; Y1634-N1843 HydrophobicContact CE2-CB 3.86Å; N1841-N1843 PolarHBondContact O-N 3.2Å; N1841-N1843 WeakPolarHBondContact OD1-CA 3.42Å; N1841-N1843 PolarHBondContact OD1-N 3.43Å; N1841-N1843 VanDerWaalsContact OD1-N 3.16Å |
| 1844 | R | 76 | Confident | 81.3 | Confident | 140 Ų | 140 | 37.3 Ų | 37.3 | 53% | 0.528 | 21% | 0.211 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -94.5 | -17.3 | -179.3 | -63.3 | -170.5 | -177.3 | -164.1 | -0.7 | 113.2 | A1614 V1615 Y1634 G1842 | A1614-R1844 CarbonylContact C-O 3.53Å; A1614-R1844 VanDerWaalsContact CA-O 3.32Å; A1614-R1844 WeakPolarHBondContact CA-O 3.17Å; V1615-R1844 PolarHBondContact N-O 3.08Å; Y1634-R1844 HydrophobicContact CD1-CG 4.4Å; Y1634-R1844 HydrophobicContact CE1-CG 3.99Å; G1842-R1844 VanDerWaalsContact C-N 3.28Å; G1842-R1844 PolarHBondContact O-N 2.8Å |
| 1845 | S | 81 | Confident | 81.5 | Confident | 35 Ų | 35 | 37 Ų | 37 | 25% | 0.245 | 20% | 0.203 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.1 | 128.7 | 170.9 | -59.5 | 0 | 0 | 0 | 0 | 108.3 | V1615 V1724 G1842 | V1615-S1845 CarbonylContact O-C 3.08Å; V1615-S1845 WeakPolarHBondContact O-CA 3.22Å; V1724-S1845 WeakPolarHBondContact CG1-O 3.13Å; G1842-S1845 CarbonylContact C-O 3.49Å; G1842-S1845 WeakPolarHBondContact CA-O 3.45Å; G1842-S1845 PolarHBondContact N-O 2.81Å; G1842-S1845 PolarHBondContact O-N 3.35Å |
| 1846 | V | 87.5 | Confident | 81.8 | Confident | 2 Ų | 2 | 37.5 Ų | 37.5 | 1% | 0.012 | 20% | 0.2 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.2 | 139.1 | 176.5 | -171.9 | 0 | 0 | 0 | 0 | 108.4 | V1615 I1616 Q1617 V1839 V1840 N1841 | V1615-V1846 PolarHBondContact O-N 3.28Å; I1616-V1846 WeakPolarHBondContact CA-O 3.39Å; I1616-V1846 HydrophobicContact CB-CB 4.36Å; I1616-V1846 HydrophobicContact CG1-CB 4Å; I1616-V1846 HydrophobicContact CG1-CG2 4.19Å; I1616-V1846 HydrophobicContact CG2-CB 4.22Å; I1616-V1846 HydrophobicContact CG2-CG1 4.36Å; Q1617-V1846 PolarHBondContact N-O 3.41Å; V1839-V1846 HydrophobicContact CG1-CG1 3.72Å; V1840-V1846 CarbonylContact O-C 3.57Å; V1840-V1846 VanDerWaalsContact O-CA 3.29Å; V1840-V1846 WeakPolarHBondContact O-CA 3.38Å; V1840-V1846 WeakPolarHBondContact O-CG1 3.36Å; N1841-V1846 HydrophobicContact CB-CG1 4.48Å; N1841-V1846 WeakPolarHBondContact OD1-CG2 3.3Å |
| 1847 | V | 89.7 | Confident | 81.7 | Confident | 8 Ų | 8 | 39.4 Ų | 39.4 | 5% | 0.048 | 20% | 0.2 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.2 | 118 | 171.3 | 179.5 | 0 | 0 | 0 | 0 | 108.7 | Q1617 Y1619 V1724 L1733 I1756 V1839 V1840 | Q1617-V1847 HydrophobicContact CB-CG2 4.42Å; Q1617-V1847 CarbonylContact O-C 3.25Å; Q1617-V1847 WeakPolarHBondContact O-CA 3.3Å; Y1619-V1847 HydrophobicContact CD2-CG1 4.37Å; Y1619-V1847 HydrophobicContact CE2-CG1 4.16Å; V1724-V1847 HydrophobicContact CG1-CG2 3.85Å; V1724-V1847 HydrophobicContact CG2-CB 4.47Å; V1724-V1847 HydrophobicContact CG2-CG2 4.05Å; L1733-V1847 HydrophobicContact CD2-CG2 3.76Å; I1756-V1847 HydrophobicContact CD1-CB 4.4Å; I1756-V1847 HydrophobicContact CD1-CG1 4.12Å; V1839-V1847 WeakPolarHBondContact CA-O 3.08Å; V1840-V1847 PolarHBondContact N-O 3.42Å; V1840-V1847 PolarHBondContact O-N 2.91Å |
| 1848 | A | 90.3 | Very high | 80.9 | Confident | 0 Ų | 0 | 42.1 Ų | 42.1 | 0% | 0 | 22% | 0.22 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -99.1 | 94.7 | 168.8 | 0 | 0 | 0 | 0 | 0 | 108.4 | Q1617 V1618 Y1619 I1630 L1837 I1838 V1839 | Q1617-A1848 PolarHBondContact O-N 2.76Å; V1618-A1848 WeakPolarHBondContact CA-O 3.36Å; V1618-A1848 HydrophobicContact CB-CB 4.44Å; V1618-A1848 HydrophobicContact CG1-CB 4.15Å; V1618-A1848 HydrophobicContact CG2-CB 4.24Å; Y1619-A1848 PolarHBondContact N-O 3.06Å; I1630-A1848 HydrophobicContact CB-CB 3.92Å; I1630-A1848 HydrophobicContact CG2-CB 4.06Å; L1837-A1848 HydrophobicContact CB-CB 4.49Å; L1837-A1848 HydrophobicContact CD1-CB 4.12Å; I1838-A1848 CarbonylContact O-C 3.6Å; I1838-A1848 WeakPolarHBondContact O-CA 3.25Å; V1839-A1848 HydrophobicContact CG2-CB 4.19Å |
| 1849 | G | 88.8 | Confident | 79.7 | Confident | 2 Ų | 2 | 43.6 Ų | 43.6 | 2% | 0.021 | 23% | 0.227 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -97.1 | 164 | -179.4 | 0 | 0 | 0 | 0 | 0 | 113 | Y1754 L1837 I1838 | Y1754-G1849 CarbonylContact O-C 3.42Å; Y1754-G1849 WeakPolarHBondContact O-CA 3.44Å; L1837-G1849 CarbonylContact C-O 3.39Å; L1837-G1849 WeakPolarHBondContact CA-O 3.49Å; L1837-G1849 VanDerWaalsContact CB-O 3.28Å; L1837-G1849 WeakPolarHBondContact CB-O 3.45Å; L1837-G1849 WeakPolarHBondContact CD2-O 3.42Å; I1838-G1849 PolarHBondContact N-O 2.78Å; I1838-G1849 PolarHBondContact O-N 2.9Å |
| 1850 | L | 89.3 | Confident | 78.7 | Confident | 1 Ų | 1 | 44.3 Ų | 44.3 | 1% | 0.005 | 23% | 0.233 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -60.7 | 139.8 | 168.3 | -55.4 | -177.9 | 0 | 0 | 0 | 110.5 | Y1619 P1621 I1702 L1707 Y1754 S1755 V1833 L1837 A1852 | Y1619-L1850 WeakPolarHBondContact O-CD2 3.42Å; P1621-L1850 HydrophobicContact CB-CD2 4.22Å; P1621-L1850 HydrophobicContact CG-CD2 4.23Å; I1702-L1850 HydrophobicContact CB-CD1 4.11Å; I1702-L1850 HydrophobicContact CG1-CD1 4.23Å; I1702-L1850 HydrophobicContact CG2-CD1 3.94Å; L1707-L1850 HydrophobicContact CD2-CD1 4.04Å; Y1754-L1850 HydrophobicContact CD2-CB 4.18Å; Y1754-L1850 HydrophobicContact CD2-CD1 3.76Å; Y1754-L1850 HydrophobicContact CD2-CG 4.11Å; Y1754-L1850 HydrophobicContact CE2-CD1 4.23Å; Y1754-L1850 HydrophobicContact CG-CD1 4.31Å; Y1754-L1850 PolarHBondContact O-N 3.1Å; S1755-L1850 WeakPolarHBondContact CB-O 3.32Å; S1755-L1850 PolarHBondContact OG-O 3.3Å; V1833-L1850 HydrophobicContact CG1-CB 4.11Å; V1833-L1850 HydrophobicContact CG1-CD1 4.12Å; V1833-L1850 HydrophobicContact CG1-CD2 4.19Å; V1833-L1850 HydrophobicContact CG1-CG 4.37Å; V1833-L1850 HydrophobicContact CG2-CD1 3.98Å; L1837-L1850 HydrophobicContact CD2-CD2 3.9Å; L1850-A1852 PolarHBondContact O-N 2.78Å; L1850-A1852 VanDerWaalsContact O-N 3.08Å |
| 1851 | N | 84.6 | Confident | 77.3 | Confident | 60 Ų | 60 | 45.9 Ų | 45.9 | 32% | 0.321 | 24% | 0.244 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -75.5 | 93.9 | 166.8 | -173.6 | 3.1 | 0 | 0 | 0 | 109.7 | G1834 S1836 I1838 | G1834-N1851 PolarHBondContact N-O 3.47Å; S1836-N1851 VanDerWaalsContact O-CB 3.25Å; S1836-N1851 WeakPolarHBondContact O-CB 3.31Å; S1836-N1851 PolarHBondContact O-N 3.27Å; S1836-N1851 VanDerWaalsContact O-N 3.16Å; I1838-N1851 HydrophobicContact CD1-CB 4.17Å; I1838-N1851 HydrophobicContact CG1-CB 3.92Å |
| 1852 | A | 83.3 | Confident | 76.2 | Confident | 1 Ų | 1 | 45.1 Ų | 45.1 | 1% | 0.008 | 24% | 0.241 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -100.7 | 129.7 | -174.6 | 0 | 0 | 0 | 0 | 0 | 112.3 | I1757 Y1769 V1831 N1832 L1850 | I1757-A1852 WeakPolarHBondContact CD1-O 3.37Å; Y1769-A1852 HydrophobicContact CD2-CB 4.03Å; Y1769-A1852 HydrophobicContact CE2-CB 4.38Å; Y1769-A1852 HydrophobicContact CG-CB 4.13Å; V1831-A1852 HydrophobicContact CG1-CB 4Å; N1832-A1852 WeakPolarHBondContact O-CA 3.22Å; L1850-A1852 PolarHBondContact O-N 2.78Å; L1850-A1852 VanDerWaalsContact O-N 3.08Å |
| 1853 | S | 80.1 | Confident | 75.2 | Confident | 59 Ų | 59 | 50.3 Ų | 50.3 | 41% | 0.413 | 27% | 0.272 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -126 | 148.5 | 175.7 | 62.2 | 0 | 0 | 0 | 0 | 112.1 | V1831 N1832 | V1831-S1853 CarbonylContact C-O 3.57Å; V1831-S1853 WeakPolarHBondContact CA-O 3.21Å; N1832-S1853 PolarHBondContact N-O 3.14Å; N1832-S1853 PolarHBondContact O-N 2.93Å |
| 1854 | L | 80.6 | Confident | 74.2 | Confident | 51 Ų | 51 | 51.9 Ų | 51.9 | 27% | 0.267 | 29% | 0.286 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.8 | 144.7 | 173.4 | -77.5 | 159.8 | 0 | 0 | 0 | 110.8 | Y1769 L1815 P1817 V1831 | Y1769-L1854 HydrophobicContact CE1-CD1 3.98Å; Y1769-L1854 HydrophobicContact CE1-CD2 4.36Å; Y1769-L1854 HydrophobicContact CE1-CG 3.83Å; Y1769-L1854 WeakPolarHBondContact OH-CD1 3.45Å; L1815-L1854 HydrophobicContact CB-CD1 3.55Å; L1815-L1854 VanDerWaalsContact O-CD1 3.3Å; L1815-L1854 WeakPolarHBondContact O-CD1 3.05Å; P1817-L1854 HydrophobicContact CG-CB 4.45Å; V1831-L1854 HydrophobicContact CG2-CD2 3.86Å |
| 1855 | S | 76.1 | Confident | 73.1 | Confident | 25 Ų | 25 | 47.9 Ų | 47.9 | 18% | 0.175 | 27% | 0.274 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -146.4 | 163.9 | 173.4 | 57 | 0 | 0 | 0 | 0 | 110.4 | S1829 F1830 N1832 | S1829-S1855 VanDerWaalsContact CA-O 3.3Å; S1829-S1855 WeakPolarHBondContact CA-O 3.23Å; F1830-S1855 WeakPolarHBondContact CD1-O 3.07Å; F1830-S1855 WeakPolarHBondContact CE1-OG 3.1Å; F1830-S1855 WeakPolarHBondContact CE2-OG 3.44Å; F1830-S1855 WeakPolarHBondContact CZ-OG 3.44Å; F1830-S1855 PolarHBondContact N-O 2.71Å; F1830-S1855 PolarHBondContact O-N 3.18Å; F1830-S1855 PolarHBondContact O-OG 2.9Å; N1832-S1855 PolarHBondContact ND2-OG 3.32Å |
| 1856 | Y | 73.9 | Confident | 72.1 | Confident | 98 Ų | 98 | 48.8 Ų | 48.8 | 38% | 0.384 | 28% | 0.281 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.3 | 162 | -175.7 | 66.4 | -77.5 | 0 | 0 | 0 | 112.6 | P1817 E1821 S1828 | P1817-Y1856 HydrophobicContact CB-CD1 4.15Å; P1817-Y1856 HydrophobicContact CG-CD1 4.48Å; E1821-Y1856 HydrophobicContact CB-CD2 4.11Å; E1821-Y1856 HydrophobicContact CB-CE1 4.26Å; E1821-Y1856 HydrophobicContact CB-CE2 3.85Å; E1821-Y1856 HydrophobicContact CB-CG 4.43Å; E1821-Y1856 HydrophobicContact CG-CD1 3.83Å; E1821-Y1856 HydrophobicContact CG-CD2 4.32Å; E1821-Y1856 HydrophobicContact CG-CE1 3.52Å; E1821-Y1856 HydrophobicContact CG-CE2 4.06Å; E1821-Y1856 HydrophobicContact CG-CG 4.22Å; E1821-Y1856 VanDerWaalsContact OE2-CZ 3.22Å; E1821-Y1856 PolarHBondContact OE2-OH 2.94Å; S1828-Y1856 CarbonylContact O-C 3.6Å; S1828-Y1856 VanDerWaalsContact O-CA 3.23Å; S1828-Y1856 WeakPolarHBondContact O-CA 3.12Å |
| 1857 | K | 71.9 | Confident | 70.8 | Confident | 97 Ų | 97 | 50.6 Ų | 50.6 | 42% | 0.422 | 30% | 0.296 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -138.9 | 134.1 | 169.2 | -74.4 | 171.6 | -173.6 | 172.7 | 0 | 109.5 | C1827 S1828 F1830 E1859 | C1827-K1857 CarbonylContact C-O 3.56Å; C1827-K1857 WeakPolarHBondContact CA-O 3.38Å; S1828-K1857 PolarHBondContact N-O 3.17Å; S1828-K1857 PolarHBondContact O-N 2.83Å; S1828-K1857 PolarHBondContact OG-O 2.84Å; F1830-K1857 HydrophobicContact CE1-CD 4.01Å; F1830-K1857 HydrophobicContact CE1-CG 3.8Å; F1830-K1857 HydrophobicContact CZ-CG 4.48Å; K1857-E1859 HydrophobicContact CB-CG 4Å; K1857-E1859 WeakPolarHBondContact CD-OE1 3.43Å; K1857-E1859 IonicContact NZ-OE1 3.67Å; K1857-E1859 PolarHBondContact O-N 3.24Å |
| 1858 | C | 66.7 | Low | 69.5 | Low | 80 Ų | 80 | 53 Ų | 53 | 54% | 0.541 | 31% | 0.313 | S | S | . | . | trans | -78.3 | 60.9 | 173.1 | -59.1 | 0 | 0 | 0 | 0 | 112 | C1823 A1826 | C1823-C1858 HydrophobicContact CB-CB 3.57Å; C1823-C1858 WeakPolarHBondContact CB-SG 3.23Å; C1823-C1858 WeakPolarHBondContact SG-CA 3.44Å; C1823-C1858 WeakPolarHBondContact SG-CB 3.25Å; C1823-C1858 CovalentContact SG-SG 2.04Å; C1823-C1858 PolarHBondContact SG-SG 3.04Å; A1826-C1858 CarbonylContact O-C 3.47Å; A1826-C1858 WeakPolarHBondContact O-CA 3.31Å | ||
| 1859 | E | 60.6 | Low | 68.4 | Low | 75 Ų | 75 | 55.3 Ų | 55.3 | 35% | 0.35 | 33% | 0.329 | S | S | . | . | trans | -124.8 | 140.7 | 177.6 | 68 | -178.8 | 150.2 | 0 | 0 | 111.9 | K1857 P1861 | K1857-E1859 HydrophobicContact CB-CG 4Å; K1857-E1859 WeakPolarHBondContact CD-OE1 3.43Å; K1857-E1859 IonicContact NZ-OE1 3.67Å; K1857-E1859 PolarHBondContact O-N 3.24Å; E1859-P1861 VanDerWaalsContact O-CD 3.28Å; E1859-P1861 WeakPolarHBondContact O-CD 3.2Å | ||
| 1860 | C | 62.2 | Low | 67.1 | Low | 61 Ų | 61 | 57.6 Ų | 57.6 | 41% | 0.412 | 35% | 0.348 | S | S | . | . | trans | -79.5 | 115.5 | 176.3 | 178.5 | 0 | 0 | 0 | 0 | 110 | A1826 V1862 C1921 | A1826-C1860 HydrophobicContact CB-CB 3.65Å; C1860-V1862 PolarHBondContact O-N 3.44Å; C1860-C1921 WeakPolarHBondContact CA-SG 3.4Å; C1860-C1921 HydrophobicContact CB-CB 4.01Å; C1860-C1921 WeakPolarHBondContact CB-SG 3.42Å; C1860-C1921 WeakPolarHBondContact SG-CB 3.49Å; C1860-C1921 CovalentContact SG-SG 2.04Å; C1860-C1921 PolarHBondContact SG-SG 2.98Å | ||
| 1861 | P | 55.9 | Low | 65.5 | Low | 46 Ų | 46 | 65.3 Ų | 65.3 | 30% | 0.299 | 39% | 0.389 | S | S | . | . | trans | -73.3 | 20.1 | -168.3 | -22.3 | 36.9 | 0 | 0 | 0 | 116.7 | E1859 V1863 K1919 | E1859-P1861 VanDerWaalsContact O-CD 3.28Å; E1859-P1861 WeakPolarHBondContact O-CD 3.2Å; P1861-V1863 PolarHBondContact O-N 3.38Å; P1861-V1863 VanDerWaalsContact O-N 3.15Å; P1861-K1919 HydrophobicContact CB-CB 4.14Å; P1861-K1919 HydrophobicContact CB-CG 4.19Å; P1861-K1919 HydrophobicContact CG-CB 4.17Å | ||
| 1862 | V | 56.5 | Low | 64.2 | Low | 46 Ų | 46 | 68.3 Ų | 68.3 | 28% | 0.279 | 41% | 0.405 | S | S | . | . | trans | -85.3 | 86.1 | -177.6 | -177 | 0 | 0 | 0 | 0 | 109.5 | C1860 P1864 N2087 M2089 | C1860-V1862 PolarHBondContact O-N 3.44Å; V1862-P1864 WeakPolarHBondContact O-CD 3Å; V1862-N2087 HydrophobicContact CG1-CB 3.95Å; V1862-N2087 HydrophobicContact CG2-CB 4.13Å; V1862-N2087 VanDerWaalsContact CG2-ND2 3.28Å; V1862-N2087 WeakPolarHBondContact CG2-ND2 3.2Å; V1862-M2089 HydrophobicContact CG1-CE 4.33Å | ||
| 1863 | V | 52.6 | Low | 63.7 | Low | 110 Ų | 110 | 68.6 Ų | 68.6 | 67% | 0.667 | 41% | 0.407 | S | S | * | . | P | Polyproline II helix | trans | -68.4 | 122.8 | 176.8 | -176.7 | 0 | 0 | 0 | 0 | 110 | P1861 | P1861-V1863 PolarHBondContact O-N 3.38Å; P1861-V1863 VanDerWaalsContact O-N 3.15Å |
| 1864 | P | 51.8 | Low | 63.6 | Low | 93 Ų | 93 | 66.6 Ų | 66.6 | 60% | 0.604 | 39% | 0.393 | S | S | * | . | P | Polyproline II helix | trans | -67.9 | 149.7 | 176.5 | 28.2 | -34.3 | 0 | 0 | 0 | 111.6 | V1862 S1866 | V1862-P1864 WeakPolarHBondContact O-CD 3Å; P1864-S1866 PolarHBondContact O-N 2.93Å |
| 1865 | L | 53 | Low | 63.4 | Low | 55 Ų | 55 | 66.1 Ų | 66.1 | 29% | 0.288 | 39% | 0.388 | S | S | . | . | P | Polyproline II helix | trans | -62.5 | 132.5 | 179.7 | -66.9 | 166.9 | 0 | 0 | 0 | 111.3 | R1899 F2261 | L1865-R1899 VanDerWaalsContact CD2-NH1 3.33Å; L1865-F2261 HydrophobicContact CB-CD1 3.98Å; L1865-F2261 HydrophobicContact CB-CE1 3.88Å; L1865-F2261 HydrophobicContact CD1-CD1 4.03Å; L1865-F2261 HydrophobicContact CD1-CE1 4.48Å |
| 1866 | S | 58.8 | Low | 63.2 | Low | 54 Ų | 54 | 66.8 Ų | 66.8 | 38% | 0.378 | 39% | 0.39 | S | S | . | . | P | Polyproline II helix | trans | -60.1 | 142.3 | 171.7 | -175.1 | 0 | 0 | 0 | 0 | 111.1 | P1864 S1868 F1887 | P1864-S1866 PolarHBondContact O-N 2.93Å; S1866-S1868 PolarHBondContact O-N 3.27Å; S1866-S1868 PolarHBondContact OG-N 2.93Å; S1866-S1868 VanDerWaalsContact OG-N 3.13Å; S1866-S1868 PolarHBondContact OG-OG 3.27Å; S1866-F1887 WeakPolarHBondContact O-CE1 3.32Å |
| 1867 | A | 60 | Low | 62.7 | Low | 41 Ų | 41 | 68.3 Ų | 68.3 | 34% | 0.339 | 41% | 0.405 | S | S | . | . | S | Bend | trans | -67.1 | -20.9 | 169.4 | 0 | 0 | 0 | 0 | 0 | 112.8 | S1885 T1886 | A1867-S1885 WeakPolarHBondContact CB-O 3.22Å; A1867-T1886 CarbonylContact O-C 3.52Å; A1867-T1886 VanDerWaalsContact O-CA 3.25Å; A1867-T1886 WeakPolarHBondContact O-CA 3.39Å |
| 1868 | S | 63.6 | Low | 62.8 | Low | 58 Ų | 58 | 64.1 Ų | 64.1 | 41% | 0.406 | 39% | 0.389 | S | S | . | . | S | Bend | trans | -107.4 | 167.1 | -174.6 | 67.2 | 0 | 0 | 0 | 0 | 113.5 | S1866 A1870 S1873 | S1866-S1868 PolarHBondContact O-N 3.27Å; S1866-S1868 PolarHBondContact OG-N 2.93Å; S1866-S1868 VanDerWaalsContact OG-N 3.13Å; S1866-S1868 PolarHBondContact OG-OG 3.27Å; S1868-A1870 PolarHBondContact O-N 2.78Å; S1868-S1873 PolarHBondContact O-OG 2.7Å; S1868-S1873 VanDerWaalsContact O-OG 3.11Å |
| 1869 | C | 65.6 | Low | 63.3 | Low | 48 Ų | 48 | 60.3 Ų | 60.3 | 32% | 0.324 | 36% | 0.364 | S | S | . | . | trans | -72.4 | 92.9 | 170 | -71.5 | 0 | 0 | 0 | 0 | 111 | C1880 S1882 | C1869-C1880 VanDerWaalsContact CA-SG 3.5Å; C1869-C1880 HydrophobicContact CB-CB 3.83Å; C1869-C1880 WeakPolarHBondContact CB-SG 3.45Å; C1869-C1880 WeakPolarHBondContact SG-CB 3.5Å; C1869-C1880 CovalentContact SG-SG 2.04Å; C1869-C1880 PolarHBondContact SG-SG 3.44Å; C1869-S1882 PolarHBondContact SG-N 3.2Å | ||
| 1870 | A | 63 | Low | 64.2 | Low | 51 Ų | 51 | 57.5 Ų | 57.5 | 42% | 0.421 | 35% | 0.352 | S | S | . | . | trans | -93.8 | 173.7 | 168.2 | 0 | 0 | 0 | 0 | 0 | 110.9 | S1868 N1872 S1873 | S1868-A1870 PolarHBondContact O-N 2.78Å; A1870-N1872 PolarHBondContact O-N 2.93Å; A1870-S1873 PolarHBondContact N-OG 3.02Å; A1870-S1873 WeakPolarHBondContact O-CB 3.29Å; A1870-S1873 PolarHBondContact O-N 3.13Å; A1870-S1873 PolarHBondContact O-OG 2.84Å | ||
| 1871 | D | 54.8 | Low | 64.9 | Low | 162 Ų | 162 | 55.5 Ų | 55.5 | 87% | 0.866 | 34% | 0.337 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -56.9 | 137.6 | 168.6 | -80.4 | -39.5 | 0 | 0 | 0 | 110.5 | S1873 | D1871-S1873 PolarHBondContact O-N 2.72Š|
| 1872 | N | 57.7 | Low | 65.6 | Low | 123 Ų | 123 | 56.7 Ų | 56.7 | 66% | 0.658 | 35% | 0.346 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 61.8 | 8.5 | -170.2 | -53.9 | -51.6 | 0 | 0 | 0 | 116.7 | A1870 C1874 R1899 | A1870-N1872 PolarHBondContact O-N 2.93Å; N1872-C1874 PolarHBondContact O-N 2.63Å; N1872-C1874 VanDerWaalsContact O-N 3.15Å; N1872-R1899 PolarHBondContact O-NH2 2.83Å |
| 1873 | S | 72.4 | Confident | 65.9 | Low | 8 Ų | 8 | 56.1 Ų | 56.1 | 6% | 0.056 | 34% | 0.343 | C | S | . | . | S | Bend | trans | -55.3 | -33.9 | 173.8 | -80.9 | 0 | 0 | 0 | 0 | 112.3 | S1868 A1870 D1871 F1887 R1899 | S1868-S1873 PolarHBondContact O-OG 2.7Å; S1868-S1873 VanDerWaalsContact O-OG 3.11Å; A1870-S1873 PolarHBondContact N-OG 3.02Å; A1870-S1873 WeakPolarHBondContact O-CB 3.29Å; A1870-S1873 PolarHBondContact O-N 3.13Å; A1870-S1873 PolarHBondContact O-OG 2.84Å; D1871-S1873 PolarHBondContact O-N 2.72Å; S1873-F1887 WeakPolarHBondContact O-CE2 3.28Å; S1873-R1899 PolarHBondContact O-NE 2.69Å |
| 1874 | C | 77.7 | Confident | 66.3 | Low | 17 Ų | 17 | 54.2 Ų | 54.2 | 12% | 0.115 | 35% | 0.346 | C | S | . | . | S | Bend | trans | -118 | 136.7 | 164.8 | -52.4 | 0 | 0 | 0 | 0 | 110.7 | N1872 C1880 C1889 R1899 | N1872-C1874 PolarHBondContact O-N 2.63Å; N1872-C1874 VanDerWaalsContact O-N 3.15Å; C1874-C1880 HydrophobicContact CB-CB 4.49Å; C1874-C1880 WeakPolarHBondContact SG-CA 3.24Å; C1874-C1880 WeakPolarHBondContact SG-CB 3.35Å; C1874-C1889 VanDerWaalsContact CA-SG 3.54Å; C1874-C1889 HydrophobicContact CB-CB 3.84Å; C1874-C1889 WeakPolarHBondContact CB-SG 3.37Å; C1874-C1889 VanDerWaalsContact SG-CA 3.55Å; C1874-C1889 WeakPolarHBondContact SG-CB 3.35Å; C1874-C1889 CovalentContact SG-SG 2.03Å; C1874-C1889 PolarHBondContact SG-SG 3.01Å; C1874-R1899 WeakPolarHBondContact CA-O 3.37Å |
| 1875 | F | 77.8 | Confident | 66.8 | Low | 40 Ų | 40 | 50.7 Ų | 50.7 | 18% | 0.175 | 32% | 0.323 | C | S | . | . | S | Bend | trans | -81.3 | 167.8 | 175.4 | -59.6 | -75.7 | 0 | 0 | 0 | 111.8 | N1877 G1878 R1899 A1901 I2090 D2092 | F1875-N1877 VanDerWaalsContact C-N 3.28Å; F1875-N1877 PolarHBondContact O-N 3.13Å; F1875-G1878 PolarHBondContact O-N 2.99Å; F1875-R1899 HydrophobicContact CD2-CB 3.86Å; F1875-R1899 HydrophobicContact CE2-CB 4.05Å; F1875-R1899 PolarHBondContact N-O 2.67Å; F1875-A1901 HydrophobicContact CD2-CB 3.88Å; F1875-A1901 HydrophobicContact CE2-CB 4.31Å; F1875-I2090 HydrophobicContact CE2-CG2 4.22Å; F1875-D2092 HydrophobicContact CD1-CB 3.95Å; F1875-D2092 HydrophobicContact CD2-CB 4.38Å; F1875-D2092 HydrophobicContact CE1-CB 4.16Å; F1875-D2092 HydrophobicContact CG-CB 4.06Å; F1875-D2092 HydrophobicContact CZ-CB 4.45Å |
| 1876 | N | 71.7 | Confident | 67.5 | Low | 39 Ų | 39 | 48.1 Ų | 48.1 | 21% | 0.209 | 31% | 0.31 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 52.9 | 33.7 | 165.5 | -58.4 | -61.8 | 0 | 0 | 0 | 116.3 | G1878 H1895 C1900 D2092 S2094 N2095 | N1876-G1878 VanDerWaalsContact C-N 3.31Å; N1876-G1878 PolarHBondContact O-N 2.79Å; N1876-H1895 HydrophobicContact CB-CB 4.49Å; N1876-C1900 PolarHBondContact ND2-O 3.44Å; N1876-D2092 VanDerWaalsContact ND2-CG 3.33Å; N1876-D2092 PolarHBondContact ND2-OD1 2.92Å; N1876-D2092 PolarHBondContact ND2-OD2 2.73Å; N1876-S2094 PolarHBondContact ND2-OG 3.02Å; N1876-S2094 VanDerWaalsContact ND2-OG 3.13Å; N1876-S2094 WeakPolarHBondContact OD1-CB 3.45Å; N1876-S2094 PolarHBondContact OD1-OG 3.29Å; N1876-N2095 PolarHBondContact OD1-ND2 2.95Å |
| 1877 | N | 62.7 | Low | 68.4 | Low | 131 Ų | 131 | 45.6 Ų | 45.6 | 70% | 0.701 | 29% | 0.292 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 57.6 | 37.4 | -172.5 | -55.6 | -32.6 | 0 | 0 | 0 | 113.7 | F1875 H2369 | F1875-N1877 VanDerWaalsContact C-N 3.28Å; F1875-N1877 PolarHBondContact O-N 3.13Å; N1877-H2369 PolarHBondContact O-CE1 2.98Å; N1877-H2369 PolarHBondContact O-NE2 2.7Å |
| 1878 | G | 73.3 | Confident | 69.2 | Low | 9 Ų | 9 | 44.4 Ų | 44.4 | 9% | 0.093 | 28% | 0.279 | C | S | . | . | trans | -64.9 | 142.4 | 159.9 | 0 | 0 | 0 | 0 | 0 | 110.9 | F1875 N1876 C1880 E1890 | F1875-G1878 PolarHBondContact O-N 2.99Å; N1876-G1878 VanDerWaalsContact C-N 3.31Å; N1876-G1878 PolarHBondContact O-N 2.79Å; G1878-C1880 PolarHBondContact O-N 2.88Å; G1878-E1890 CarbonylContact C-O 3.35Å; G1878-E1890 WeakPolarHBondContact CA-O 3.44Å | ||
| 1879 | I | 78.2 | Confident | 70 | Confident | 0 Ų | 0 | 42.5 Ų | 42.5 | 0% | 0 | 27% | 0.266 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -81.7 | 115.3 | 177.1 | -54.6 | -175.9 | 0 | 0 | 0 | 108 | H1881 C1889 E1890 H2369 Y2371 L2376 | I1879-H1881 VanDerWaalsContact CG2-CE1 3.44Å; I1879-H1881 WeakPolarHBondContact CG2-CE1 3.27Å; I1879-H1881 WeakPolarHBondContact CG2-NE2 3.11Å; I1879-H1881 PolarHBondContact O-CD2 2.84Å; I1879-C1889 WeakPolarHBondContact O-CA 3.41Å; I1879-E1890 HydrophobicContact CB-CB 4.22Å; I1879-E1890 PolarHBondContact N-O 3.38Å; I1879-E1890 PolarHBondContact O-N 3.41Å; I1879-H2369 HydrophobicContact CD1-CB 3.87Å; I1879-H2369 VanDerWaalsContact CD1-ND1 3.35Å; I1879-H2369 WeakPolarHBondContact CD1-ND1 3.47Å; I1879-H2369 HydrophobicContact CG1-CB 4.34Å; I1879-H2369 VanDerWaalsContact CG1-ND1 3.33Å; I1879-H2369 WeakPolarHBondContact CG1-ND1 3.16Å; I1879-Y2371 WeakPolarHBondContact CG2-OH 3.33Å; I1879-L2376 HydrophobicContact CD1-CD1 4.49Å; I1879-L2376 HydrophobicContact CG2-CD1 3.77Å; I1879-L2376 HydrophobicContact CG2-CD2 3.64Å; I1879-L2376 HydrophobicContact CG2-CG 4.35Å |
| 1880 | C | 80.2 | Confident | 70.4 | Confident | 16 Ų | 16 | 41.8 Ų | 41.8 | 11% | 0.108 | 26% | 0.258 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -80.1 | 121.8 | 173.9 | -164 | 0 | 0 | 0 | 0 | 111.2 | C1869 C1874 G1878 Y2371 | C1869-C1880 VanDerWaalsContact CA-SG 3.5Å; C1869-C1880 HydrophobicContact CB-CB 3.83Å; C1869-C1880 WeakPolarHBondContact CB-SG 3.45Å; C1869-C1880 WeakPolarHBondContact SG-CB 3.5Å; C1869-C1880 CovalentContact SG-SG 2.04Å; C1869-C1880 PolarHBondContact SG-SG 3.44Å; C1874-C1880 HydrophobicContact CB-CB 4.49Å; C1874-C1880 WeakPolarHBondContact SG-CA 3.24Å; C1874-C1880 WeakPolarHBondContact SG-CB 3.35Å; G1878-C1880 PolarHBondContact O-N 2.88Å; C1880-Y2371 WeakPolarHBondContact CA-OH 3.45Å; C1880-Y2371 PolarHBondContact N-OH 2.95Å; C1880-Y2371 PolarHBondContact O-OH 3.02Å |
| 1881 | H | 76.9 | Confident | 70.8 | Confident | 18 Ų | 18 | 41.4 Ų | 41.4 | 8% | 0.083 | 25% | 0.251 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.2 | 109.8 | 176.2 | -63.8 | -73.1 | 0 | 0 | 0 | 108.4 | I1879 F1887 F1888 E1890 F2360 C2361 | I1879-H1881 VanDerWaalsContact CG2-CE1 3.44Å; I1879-H1881 WeakPolarHBondContact CG2-CE1 3.27Å; I1879-H1881 WeakPolarHBondContact CG2-NE2 3.11Å; I1879-H1881 PolarHBondContact O-CD2 2.84Å; H1881-F1887 CarbonylContact O-C 3.5Å; H1881-F1887 VanDerWaalsContact O-CA 3.28Å; H1881-F1887 WeakPolarHBondContact O-CA 3.43Å; H1881-F1887 WeakPolarHBondContact O-CB 3.19Å; H1881-F1888 HydrophobicContact CB-CD1 3.84Å; H1881-F1888 HydrophobicContact CB-CD2 4.25Å; H1881-F1888 HydrophobicContact CB-CE1 3.44Å; H1881-F1888 VanDerWaalsContact CB-CE1 3.44Å; H1881-F1888 HydrophobicContact CB-CE2 3.87Å; H1881-F1888 HydrophobicContact CB-CG 4.24Å; H1881-F1888 HydrophobicContact CB-CZ 3.45Å; H1881-F1888 VanDerWaalsContact CB-CZ 3.45Å; H1881-F1888 AromaticContact CD2-CE2 3.55Å; H1881-F1888 AromaticContact CD2-CZ 3.85Å; H1881-F1888 AromaticContact CG-CE2 3.94Å; H1881-F1888 AromaticContact CG-CZ 3.77Å; H1881-F1888 PolarHBondContact N-O 3.21Å; H1881-F1888 PolarHBondContact O-N 2.74Å; H1881-E1890 IonicContact CE1-OE2 2.75Å; H1881-E1890 IonicContact NE2-OE2 3.03Å; H1881-E1890 PolarHBondContact NE2-OE2 3.03Å; H1881-F2360 AromaticContact CD2-CD2 3.82Å; H1881-F2360 AromaticContact CD2-CE2 3.82Å; H1881-F2360 AromaticContact CE1-CD2 3.48Å; H1881-F2360 VanDerWaalsContact CE1-CD2 3.48Å; H1881-F2360 WeakPolarHBondContact CE1-CD2 3.22Å; H1881-F2360 AromaticContact CE1-CE2 3.73Å; H1881-F2360 AromaticContact CG-CD2 3.89Å; H1881-F2360 AromaticContact ND1-CD2 3.7Å; H1881-F2360 AromaticContact NE2-CD2 3.55Å; H1881-F2360 AromaticContact NE2-CE2 3.37Å; H1881-F2360 WeakPolarHBondContact NE2-CE2 3.4Å; H1881-C2361 PolarHBondContact CE1-O 2.72Å |
| 1882 | S | 70.4 | Confident | 71.3 | Confident | 71 Ų | 71 | 36.8 Ų | 36.8 | 50% | 0.497 | 22% | 0.221 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -78.2 | 135.9 | 176.6 | -175.7 | 0 | 0 | 0 | 0 | 110.3 | C1869 | C1869-S1882 PolarHBondContact SG-N 3.2Å |
| 1883 | T | 61.8 | Low | 71.5 | Confident | 34 Ų | 34 | 34.6 Ų | 34.6 | 21% | 0.209 | 23% | 0.228 | C | C | . | . | trans | -117.7 | 27.2 | 176.9 | 73.3 | 0 | 0 | 0 | 0 | 112.1 | S1885 T1886 F1888 Q2240 K2357 | T1883-S1885 PolarHBondContact O-N 3.25Å; T1883-T1886 PolarHBondContact N-O 2.72Å; T1883-T1886 PolarHBondContact OG1-O 3.28Å; T1883-T1886 PolarHBondContact OG1-OG1 2.86Å; T1883-F1888 HydrophobicContact CG2-CD1 3.76Å; T1883-F1888 HydrophobicContact CG2-CE1 3.79Å; T1883-Q2240 PolarHBondContact O-NE2 3.27Å; T1883-Q2240 PolarHBondContact O-OE1 3.38Å; T1883-Q2240 PolarHBondContact OG1-OE1 2.83Å; T1883-K2357 HydrophobicContact CG2-CD 4.01Å | ||
| 1884 | G | 60.3 | Low | 70.7 | Confident | 71 Ų | 71 | 43.1 Ų | 43.1 | 73% | 0.732 | 27% | 0.267 | S | S | * | . | S | Bend | trans | 90.7 | -58.2 | 171.8 | 0 | 0 | 0 | 0 | 0 | 113.9 | ||
| 1885 | S | 62.6 | Low | 70.2 | Confident | 19 Ų | 19 | 44.5 Ų | 44.5 | 13% | 0.133 | 27% | 0.272 | C | S | . | . | S | Bend | trans | -114.7 | -2.8 | 175.3 | 82.3 | 0 | 0 | 0 | 0 | 114.9 | A1867 T1883 T2235 A2237 Q2240 Y2242 | A1867-S1885 WeakPolarHBondContact CB-O 3.22Å; T1883-S1885 PolarHBondContact O-N 3.25Å; S1885-T2235 PolarHBondContact OG-O 3.35Å; S1885-A2237 PolarHBondContact OG-N 3.13Å; S1885-Q2240 PolarHBondContact OG-NE2 2.99Å; S1885-Q2240 VanDerWaalsContact OG-NE2 3.09Å; S1885-Y2242 PolarHBondContact OG-OH 3.31Å |
| 1886 | T | 68.5 | Low | 69.5 | Low | 0 Ų | 0 | 45.7 Ų | 45.7 | 0% | 0 | 28% | 0.283 | C | S | . | . | trans | -145 | 179.9 | 167 | 54.3 | 0 | 0 | 0 | 0 | 109 | A1867 T1883 L2257 D2258 F2261 K2357 | A1867-T1886 CarbonylContact O-C 3.52Å; A1867-T1886 VanDerWaalsContact O-CA 3.25Å; A1867-T1886 WeakPolarHBondContact O-CA 3.39Å; T1883-T1886 PolarHBondContact N-O 2.72Å; T1883-T1886 PolarHBondContact OG1-O 3.28Å; T1883-T1886 PolarHBondContact OG1-OG1 2.86Å; T1886-L2257 HydrophobicContact CG2-CD2 3.95Å; T1886-D2258 PolarHBondContact OG1-OD2 2.76Å; T1886-F2261 HydrophobicContact CG2-CD2 4.48Å; T1886-F2261 HydrophobicContact CG2-CE2 3.85Å; T1886-F2261 HydrophobicContact CG2-CZ 4.33Å; T1886-K2357 PolarHBondContact OG1-NZ 2.91Å | ||
| 1887 | F | 76.8 | Confident | 69.2 | Low | 1 Ų | 1 | 45.4 Ų | 45.4 | 0% | 0.004 | 29% | 0.288 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.4 | -178.7 | 168.2 | 66.4 | -86.3 | 0 | 0 | 0 | 111.2 | S1866 S1873 H1881 R1899 Q2260 F2261 K2357 | S1866-F1887 WeakPolarHBondContact O-CE1 3.32Å; S1873-F1887 WeakPolarHBondContact O-CE2 3.28Å; H1881-F1887 CarbonylContact O-C 3.5Å; H1881-F1887 VanDerWaalsContact O-CA 3.28Å; H1881-F1887 WeakPolarHBondContact O-CA 3.43Å; H1881-F1887 WeakPolarHBondContact O-CB 3.19Å; F1887-R1899 HydrophobicContact CE2-CG 4.32Å; F1887-R1899 HydrophobicContact CZ-CG 4.46Å; F1887-Q2260 PolarHBondContact O-OE1 3Å; F1887-F2261 AromaticContact CD1-CZ 3.97Å; F1887-F2261 HydrophobicContact CD1-CZ 3.97Å; F1887-F2261 HydrophobicContact CE1-CE1 4.27Å; F1887-F2261 AromaticContact CE1-CZ 3.79Å; F1887-F2261 HydrophobicContact CE1-CZ 3.79Å; F1887-K2357 PolarHBondContact O-NZ 3.29Å |
| 1888 | F | 76.6 | Confident | 69.5 | Low | 16 Ų | 16 | 41.3 Ų | 41.3 | 7% | 0.07 | 27% | 0.265 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -146.8 | 166.6 | 157.6 | 68.5 | -84.5 | 0 | 0 | 0 | 110.8 | H1881 T1883 F2355 K2357 F2360 | H1881-F1888 HydrophobicContact CB-CD1 3.84Å; H1881-F1888 HydrophobicContact CB-CD2 4.25Å; H1881-F1888 HydrophobicContact CB-CE1 3.44Å; H1881-F1888 VanDerWaalsContact CB-CE1 3.44Å; H1881-F1888 HydrophobicContact CB-CE2 3.87Å; H1881-F1888 HydrophobicContact CB-CG 4.24Å; H1881-F1888 HydrophobicContact CB-CZ 3.45Å; H1881-F1888 VanDerWaalsContact CB-CZ 3.45Å; H1881-F1888 AromaticContact CD2-CE2 3.55Å; H1881-F1888 AromaticContact CD2-CZ 3.85Å; H1881-F1888 AromaticContact CG-CE2 3.94Å; H1881-F1888 AromaticContact CG-CZ 3.77Å; H1881-F1888 PolarHBondContact N-O 3.21Å; H1881-F1888 PolarHBondContact O-N 2.74Å; T1883-F1888 HydrophobicContact CG2-CD1 3.76Å; T1883-F1888 HydrophobicContact CG2-CE1 3.79Å; F1888-F2355 HydrophobicContact CB-CE1 4.41Å; F1888-F2355 HydrophobicContact CD1-CD1 4.4Å; F1888-F2355 AromaticContact CD1-CE1 3.98Å; F1888-F2355 HydrophobicContact CD1-CE1 3.98Å; F1888-F2355 HydrophobicContact CD2-CD1 4.25Å; F1888-F2355 AromaticContact CD2-CE1 3.62Å; F1888-F2355 HydrophobicContact CD2-CE1 3.62Å; F1888-F2355 HydrophobicContact CD2-CZ 4.05Å; F1888-F2355 HydrophobicContact CE1-CD1 4.02Å; F1888-F2355 HydrophobicContact CE1-CE1 4.06Å; F1888-F2355 AromaticContact CE2-CD1 3.87Å; F1888-F2355 HydrophobicContact CE2-CD1 3.87Å; F1888-F2355 AromaticContact CE2-CE1 3.72Å; F1888-F2355 HydrophobicContact CE2-CE1 3.72Å; F1888-F2355 HydrophobicContact CE2-CZ 4.31Å; F1888-F2355 HydrophobicContact CG-CD1 4.5Å; F1888-F2355 AromaticContact CG-CE1 3.75Å; F1888-F2355 HydrophobicContact CG-CE1 3.75Å; F1888-F2355 HydrophobicContact CG-CZ 4.43Å; F1888-F2355 AromaticContact CZ-CD1 3.74Å; F1888-F2355 HydrophobicContact CZ-CD1 3.74Å; F1888-F2355 AromaticContact CZ-CE1 3.93Å; F1888-F2355 HydrophobicContact CZ-CE1 3.93Å; F1888-K2357 HydrophobicContact CD1-CD 3.98Å; F1888-F2360 HydrophobicContact CE1-CB 4.49Å; F1888-F2360 HydrophobicContact CE2-CD1 4.39Å; F1888-F2360 HydrophobicContact CE2-CD2 4.18Å; F1888-F2360 HydrophobicContact CE2-CE1 4.37Å; F1888-F2360 HydrophobicContact CE2-CE2 4.15Å; F1888-F2360 HydrophobicContact CE2-CG 4.29Å; F1888-F2360 HydrophobicContact CE2-CZ 4.25Å; F1888-F2360 HydrophobicContact CZ-CB 3.87Å; F1888-F2360 AromaticContact CZ-CD1 3.9Å; F1888-F2360 HydrophobicContact CZ-CD1 3.9Å; F1888-F2360 AromaticContact CZ-CD2 3.81Å; F1888-F2360 HydrophobicContact CZ-CD2 3.81Å; F1888-F2360 HydrophobicContact CZ-CE1 4.33Å; F1888-F2360 HydrophobicContact CZ-CE2 4.24Å; F1888-F2360 AromaticContact CZ-CG 3.61Å; F1888-F2360 HydrophobicContact CZ-CG 3.61Å; F1888-F2360 HydrophobicContact CZ-CZ 4.49Å |
| 1889 | C | 80.6 | Confident | 69.8 | Low | 18 Ų | 18 | 42.2 Ų | 42.2 | 12% | 0.122 | 27% | 0.266 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.5 | 126.9 | -177.7 | -63.6 | 0 | 0 | 0 | 0 | 111.2 | C1874 I1879 | C1874-C1889 VanDerWaalsContact CA-SG 3.54Å; C1874-C1889 HydrophobicContact CB-CB 3.84Å; C1874-C1889 WeakPolarHBondContact CB-SG 3.37Å; C1874-C1889 VanDerWaalsContact SG-CA 3.55Å; C1874-C1889 WeakPolarHBondContact SG-CB 3.35Å; C1874-C1889 CovalentContact SG-SG 2.03Å; C1874-C1889 PolarHBondContact SG-SG 3.01Å; I1879-C1889 WeakPolarHBondContact O-CA 3.41Å |
| 1890 | E | 74.4 | Confident | 69.8 | Low | 34 Ų | 34 | 42.2 Ų | 42.2 | 16% | 0.159 | 27% | 0.266 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.1 | 114.5 | 170.9 | 174.8 | -150.1 | 136.4 | 0 | 0 | 109.6 | G1878 I1879 H1881 R1892 T2362 | G1878-E1890 CarbonylContact C-O 3.35Å; G1878-E1890 WeakPolarHBondContact CA-O 3.44Å; I1879-E1890 HydrophobicContact CB-CB 4.22Å; I1879-E1890 PolarHBondContact N-O 3.38Å; I1879-E1890 PolarHBondContact O-N 3.41Å; H1881-E1890 IonicContact CE1-OE2 2.75Å; H1881-E1890 IonicContact NE2-OE2 3.03Å; H1881-E1890 PolarHBondContact NE2-OE2 3.03Å; E1890-R1892 IonicContact OE1-CZ 3.17Å; E1890-R1892 IonicContact OE1-NE 2.92Å; E1890-R1892 PolarHBondContact OE1-NE 2.96Å; E1890-R1892 IonicContact OE1-NH2 3.7Å; E1890-R1892 PolarHBondContact OE1-NH2 2.97Å; E1890-T2362 VanDerWaalsContact CD-OG1 3.28Å; E1890-T2362 PolarHBondContact OE1-OG1 3.42Å; E1890-T2362 WeakPolarHBondContact OE2-CB 3.33Å; E1890-T2362 PolarHBondContact OE2-OG1 2.92Å |
| 1891 | C | 71.6 | Confident | 69.8 | Low | 42 Ų | 42 | 41.5 Ų | 41.5 | 28% | 0.284 | 26% | 0.261 | S | S | . | . | trans | -90.8 | 144.1 | -174.1 | -46.1 | 0 | 0 | 0 | 0 | 112.2 | H1895 C1900 | C1891-H1895 WeakPolarHBondContact CB-O 3.41Å; C1891-C1900 WeakPolarHBondContact CA-SG 3.01Å; C1891-C1900 HydrophobicContact CB-CB 3.75Å; C1891-C1900 WeakPolarHBondContact CB-SG 3.23Å; C1891-C1900 PolarHBondContact N-SG 2.83Å; C1891-C1900 VanDerWaalsContact N-SG 3.44Å; C1891-C1900 WeakPolarHBondContact SG-CA 3.44Å; C1891-C1900 WeakPolarHBondContact SG-CB 3.25Å; C1891-C1900 CovalentContact SG-SG 2.04Å; C1891-C1900 PolarHBondContact SG-SG 2.98Å | ||
| 1892 | R | 64.3 | Low | 69.8 | Low | 65 Ų | 65 | 40.8 Ų | 40.8 | 25% | 0.245 | 26% | 0.259 | C | S | . | . | trans | -131.6 | 138.8 | 179.1 | -63.9 | -168.4 | 179.4 | -149.2 | -2.1 | 111.3 | E1890 T2362 C2363 P2364 T2367 | E1890-R1892 IonicContact OE1-CZ 3.17Å; E1890-R1892 IonicContact OE1-NE 2.92Å; E1890-R1892 PolarHBondContact OE1-NE 2.96Å; E1890-R1892 IonicContact OE1-NH2 3.7Å; E1890-R1892 PolarHBondContact OE1-NH2 2.97Å; R1892-T2362 PolarHBondContact NH2-OG1 3.21Å; R1892-C2363 PolarHBondContact NH2-O 2.99Å; R1892-P2364 PolarHBondContact NH1-O 3.33Å; R1892-T2367 PolarHBondContact NH1-O 3.45Å | ||
| 1893 | G | 62 | Low | 70.3 | Confident | 78 Ų | 78 | 38.2 Ų | 38.2 | 80% | 0.804 | 24% | 0.239 | S | C | * | . | S | Bend | trans | 96.1 | -135.8 | -176.5 | 0 | 0 | 0 | 0 | 0 | 111.7 | ||
| 1894 | Q | 57.1 | Low | 71.5 | Confident | 187 Ų | 187 | 37.5 Ų | 37.5 | 87% | 0.874 | 24% | 0.235 | S | C | * | . | S | Bend | trans | -97.6 | 1.9 | 178.9 | -64.8 | -176.2 | -74 | 0 | 0 | 113.5 | ||
| 1895 | H | 66.2 | Low | 72.9 | Confident | 46 Ų | 46 | 35 Ų | 35 | 21% | 0.213 | 20% | 0.203 | C | C | . | . | trans | -82.9 | 127.6 | 175.5 | -51.4 | -86.3 | 0 | 0 | 0 | 109.3 | N1876 C1891 S2094 | N1876-H1895 HydrophobicContact CB-CB 4.49Å; C1891-H1895 WeakPolarHBondContact CB-O 3.41Å; H1895-S2094 PolarHBondContact CE1-OG 2.71Å; H1895-S2094 PolarHBondContact ND1-OG 3.17Å | ||
| 1896 | T | 64.5 | Low | 74.2 | Confident | 65 Ų | 65 | 34.6 Ų | 34.6 | 40% | 0.399 | 20% | 0.2 | S | C | . | . | trans | -133.9 | 177.3 | 177.7 | 60.6 | 0 | 0 | 0 | 0 | 109.5 | A1901 H1903 | T1896-A1901 VanDerWaalsContact O-O 3.12Å; T1896-H1903 PolarHBondContact OG1-CE1 2.73Å; T1896-H1903 VanDerWaalsContact OG1-CE1 3.27Å | ||
| 1897 | G | 64.5 | Low | 75.4 | Confident | 32 Ų | 32 | 34.9 Ų | 34.9 | 33% | 0.33 | 20% | 0.202 | S | C | . | . | S | Bend | trans | 76.9 | -166.3 | 177 | 0 | 0 | 0 | 0 | 0 | 114.5 | R1899 C1900 | G1897-R1899 PolarHBondContact O-N 3.29Å; G1897-C1900 PolarHBondContact O-N 2.74Å |
| 1898 | E | 68 | Low | 75.9 | Confident | 46 Ų | 46 | 38.8 Ų | 38.8 | 22% | 0.215 | 22% | 0.222 | C | C | . | . | G | 310 helix | trans | -64.6 | 132.8 | -166.8 | -49.8 | -168.6 | 162.8 | 0 | 0 | 112.1 | C1900 A1901 F2085 I2090 R2259 | E1898-C1900 PolarHBondContact O-N 3.37Å; E1898-A1901 PolarHBondContact O-N 2.62Å; E1898-A1901 VanDerWaalsContact O-N 3.09Å; E1898-F2085 WeakPolarHBondContact OE2-CE1 3.34Å; E1898-F2085 WeakPolarHBondContact OE2-CZ 3.3Å; E1898-I2090 HydrophobicContact CB-CD1 4.39Å; E1898-R2259 VanDerWaalsContact CG-O 3.27Å; E1898-R2259 WeakPolarHBondContact CG-O 3.26Å |
| 1899 | R | 79.8 | Confident | 76.2 | Confident | 27 Ų | 27 | 39.3 Ų | 39.3 | 10% | 0.102 | 23% | 0.233 | C | C | . | . | G | 310 helix | trans | 51.5 | 16.5 | -177.2 | -64.5 | 174 | 60.9 | -157.5 | -1 | 115.8 | L1865 N1872 S1873 C1874 F1875 F1887 G1897 A1901 | L1865-R1899 VanDerWaalsContact CD2-NH1 3.33Å; N1872-R1899 PolarHBondContact O-NH2 2.83Å; S1873-R1899 PolarHBondContact O-NE 2.69Å; C1874-R1899 WeakPolarHBondContact CA-O 3.37Å; F1875-R1899 HydrophobicContact CD2-CB 3.86Å; F1875-R1899 HydrophobicContact CE2-CB 4.05Å; F1875-R1899 PolarHBondContact N-O 2.67Å; F1887-R1899 HydrophobicContact CE2-CG 4.32Å; F1887-R1899 HydrophobicContact CZ-CG 4.46Å; G1897-R1899 PolarHBondContact O-N 3.29Å; R1899-A1901 PolarHBondContact O-N 2.8Å |
| 1900 | C | 78.7 | Confident | 76.2 | Confident | 1 Ų | 1 | 41.4 Ų | 41.4 | 1% | 0.007 | 25% | 0.247 | C | C | . | . | G | 310 helix | trans | 59.7 | 28.8 | -172.9 | -46.1 | 0 | 0 | 0 | 0 | 114.5 | N1876 C1891 G1897 E1898 | N1876-C1900 PolarHBondContact ND2-O 3.44Å; C1891-C1900 WeakPolarHBondContact CA-SG 3.01Å; C1891-C1900 HydrophobicContact CB-CB 3.75Å; C1891-C1900 WeakPolarHBondContact CB-SG 3.23Å; C1891-C1900 PolarHBondContact N-SG 2.83Å; C1891-C1900 VanDerWaalsContact N-SG 3.44Å; C1891-C1900 WeakPolarHBondContact SG-CA 3.44Å; C1891-C1900 WeakPolarHBondContact SG-CB 3.25Å; C1891-C1900 CovalentContact SG-SG 2.04Å; C1891-C1900 PolarHBondContact SG-SG 2.98Å; G1897-C1900 PolarHBondContact O-N 2.74Å; E1898-C1900 PolarHBondContact O-N 3.37Å |
| 1901 | A | 79.8 | Confident | 76.6 | Confident | 0 Ų | 0 | 39.8 Ų | 39.8 | 0% | 0 | 24% | 0.24 | C | C | . | . | trans | -61.3 | 149.4 | 167 | 0 | 0 | 0 | 0 | 0 | 110.5 | F1875 T1896 E1898 R1899 H1903 I2090 D2092 | F1875-A1901 HydrophobicContact CD2-CB 3.88Å; F1875-A1901 HydrophobicContact CE2-CB 4.31Å; T1896-A1901 VanDerWaalsContact O-O 3.12Å; E1898-A1901 PolarHBondContact O-N 2.62Å; E1898-A1901 VanDerWaalsContact O-N 3.09Å; R1899-A1901 PolarHBondContact O-N 2.8Å; A1901-H1903 VanDerWaalsContact C-N 3.3Å; A1901-H1903 PolarHBondContact O-N 3Å; A1901-H1903 VanDerWaalsContact O-N 3.09Å; A1901-I2090 HydrophobicContact CB-CD1 4.13Å; A1901-I2090 HydrophobicContact CB-CG1 4.31Å; A1901-I2090 HydrophobicContact CB-CG2 4.14Å; A1901-D2092 HydrophobicContact CB-CB 4.21Å | ||
| 1902 | G | 77.5 | Confident | 77.5 | Confident | 4 Ų | 4 | 38.6 Ų | 38.6 | 4% | 0.041 | 23% | 0.229 | C | C | . | . | trans | -75.2 | 88.3 | 158.4 | 0 | 0 | 0 | 0 | 0 | 108.1 | V1904 D2092 F2093 S2094 | G1902-V1904 VanDerWaalsContact C-N 3.32Å; G1902-V1904 PolarHBondContact O-N 3.33Å; G1902-D2092 PolarHBondContact N-OD1 3.4Å; G1902-F2093 WeakPolarHBondContact O-CA 3.49Å; G1902-F2093 WeakPolarHBondContact O-CB 3.29Å; G1902-F2093 PolarHBondContact O-N 3.33Å; G1902-S2094 VanDerWaalsContact CA-OG 3.25Å; G1902-S2094 WeakPolarHBondContact CA-OG 3Å; G1902-S2094 PolarHBondContact N-OG 2.68Å | ||
| 1903 | H | 81.4 | Confident | 78.8 | Confident | 16 Ų | 16 | 35.5 Ų | 35.5 | 7% | 0.074 | 22% | 0.218 | C | C | . | . | trans | -79.3 | -7.8 | -172.3 | 64.4 | -36.9 | 0 | 0 | 0 | 114.5 | T1896 A1901 R2082 N2083 I2090 E2129 | T1896-H1903 PolarHBondContact OG1-CE1 2.73Å; T1896-H1903 VanDerWaalsContact OG1-CE1 3.27Å; A1901-H1903 VanDerWaalsContact C-N 3.3Å; A1901-H1903 PolarHBondContact O-N 3Å; A1901-H1903 VanDerWaalsContact O-N 3.09Å; H1903-R2082 CarbonylContact O-C 3.55Å; H1903-R2082 WeakPolarHBondContact O-CA 3.34Å; H1903-R2082 VanDerWaalsContact O-CB 3.3Å; H1903-R2082 WeakPolarHBondContact O-CB 3.35Å; H1903-N2083 PolarHBondContact CD2-OD1 2.79Å; H1903-N2083 PolarHBondContact O-N 2.8Å; H1903-I2090 HydrophobicContact CB-CD1 3.98Å; H1903-E2129 IonicContact CD2-OE1 3.3Å; H1903-E2129 IonicContact CE1-OE1 3.58Å; H1903-E2129 IonicContact NE2-OE1 3.64Å; H1903-E2129 PolarHBondContact NE2-OE1 3.08Å; H1903-E2129 IonicContact NE2-OE2 3.5Å | ||
| 1904 | V | 86.6 | Confident | 80.2 | Confident | 20 Ų | 20 | 31.8 Ų | 31.8 | 12% | 0.121 | 18% | 0.179 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.5 | 131.8 | -176.6 | -173.9 | 0 | 0 | 0 | 0 | 111.2 | G1902 W1997 R2082 L2104 G2105 C2106 | G1902-V1904 VanDerWaalsContact C-N 3.32Å; G1902-V1904 PolarHBondContact O-N 3.33Å; V1904-W1997 HydrophobicContact CG1-CH2 4.41Å; V1904-R2082 HydrophobicContact CB-CB 4.2Å; V1904-R2082 HydrophobicContact CG1-CB 4.27Å; V1904-R2082 HydrophobicContact CG2-CB 3.74Å; V1904-L2104 WeakPolarHBondContact O-CD1 3.41Å; V1904-G2105 PolarHBondContact O-N 3.04Å; V1904-C2106 HydrophobicContact CG1-CB 3.67Å |
| 1905 | R | 89.6 | Confident | 81.8 | Confident | 19 Ų | 19 | 23.5 Ų | 23.5 | 7% | 0.072 | 14% | 0.14 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -140 | 143.4 | 173.6 | -156.3 | 177 | -178.2 | 99.1 | 13.8 | 112.7 | F1907 C2080 V2081 F2093 S2102 E2103 G2105 | R1905-F1907 HydrophobicContact CB-CE2 4.21Å; R1905-F1907 HydrophobicContact CB-CZ 4.46Å; R1905-F1907 HydrophobicContact CG-CE2 4.43Å; R1905-F1907 HydrophobicContact CG-CZ 4.35Å; R1905-C2080 VanDerWaalsContact O-CA 3.31Å; R1905-C2080 WeakPolarHBondContact O-CA 3.19Å; R1905-V2081 PolarHBondContact N-O 3Å; R1905-V2081 PolarHBondContact O-N 2.86Å; R1905-F2093 HydrophobicContact CB-CB 3.87Å; R1905-F2093 HydrophobicContact CB-CD2 3.69Å; R1905-F2093 HydrophobicContact CB-CE2 4.37Å; R1905-F2093 HydrophobicContact CB-CG 3.97Å; R1905-F2093 HydrophobicContact CG-CB 4.41Å; R1905-F2093 PolarHBondContact NH1-O 3.29Å; R1905-S2102 WeakPolarHBondContact CD-OG 3.49Å; R1905-S2102 WeakPolarHBondContact CG-OG 3.31Å; R1905-S2102 PolarHBondContact NE-OG 2.93Å; R1905-S2102 PolarHBondContact NH2-O 2.67Å; R1905-E2103 WeakPolarHBondContact CG-O 3.46Å; R1905-G2105 CarbonylContact C-O 3.57Å |
| 1906 | S | 90.1 | Very high | 82.7 | Confident | 10 Ų | 10 | 24.9 Ų | 24.9 | 7% | 0.07 | 15% | 0.147 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.9 | 151.1 | -177.4 | 59.5 | 0 | 0 | 0 | 0 | 113.4 | S2102 E2103 G2105 | S1906-S2102 VanDerWaalsContact O-CA 3.25Å; S1906-S2102 WeakPolarHBondContact O-CA 3.48Å; S1906-S2102 WeakPolarHBondContact O-CB 3.21Å; S1906-S2102 PolarHBondContact O-OG 3.24Å; S1906-E2103 PolarHBondContact N-O 2.81Å; S1906-E2103 PolarHBondContact O-N 2.8Å; S1906-E2103 VanDerWaalsContact O-N 3.14Å; S1906-E2103 PolarHBondContact OG-O 3.45Å; S1906-G2105 WeakPolarHBondContact CB-O 3.37Å; S1906-G2105 PolarHBondContact N-O 3.42Å; S1906-G2105 PolarHBondContact OG-O 3.1Å |
| 1907 | F | 93.2 | Very high | 83.7 | Confident | 6 Ų | 6 | 22.7 Ų | 22.7 | 3% | 0.026 | 13% | 0.134 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -139 | 142.5 | -175 | -59.2 | -91.6 | 0 | 0 | 0 | 110.2 | R1905 A1913 I2055 L2077 N2078 G2079 V2081 S2102 | R1905-F1907 HydrophobicContact CB-CE2 4.21Å; R1905-F1907 HydrophobicContact CB-CZ 4.46Å; R1905-F1907 HydrophobicContact CG-CE2 4.43Å; R1905-F1907 HydrophobicContact CG-CZ 4.35Å; F1907-A1913 HydrophobicContact CE1-CB 4.1Å; F1907-A1913 HydrophobicContact CZ-CB 4.32Å; F1907-I2055 WeakPolarHBondContact CE1-O 3.39Å; F1907-I2055 HydrophobicContact CE2-CG2 4.01Å; F1907-I2055 HydrophobicContact CZ-CB 4.22Å; F1907-I2055 HydrophobicContact CZ-CG2 3.77Å; F1907-L2077 CarbonylContact C-O 3.53Å; F1907-L2077 VanDerWaalsContact C-O 3.31Å; F1907-L2077 HydrophobicContact CB-CB 4.37Å; F1907-L2077 WeakPolarHBondContact CB-O 3.47Å; F1907-L2077 HydrophobicContact CD2-CD2 4.39Å; F1907-N2078 WeakPolarHBondContact O-CA 3.14Å; F1907-G2079 PolarHBondContact N-O 2.89Å; F1907-G2079 PolarHBondContact O-N 3.06Å; F1907-V2081 HydrophobicContact CD2-CG2 4.49Å; F1907-V2081 HydrophobicContact CE2-CB 4.45Å; F1907-V2081 HydrophobicContact CE2-CG2 4.15Å; F1907-S2102 WeakPolarHBondContact CD1-OG 3.49Å; F1907-S2102 WeakPolarHBondContact CE1-OG 3.4Å |
| 1908 | D | 86.4 | Confident | 84.6 | Confident | 82 Ų | 82 | 21.4 Ų | 21.4 | 44% | 0.439 | 12% | 0.119 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -97.3 | 3.9 | -170.7 | 76 | -11 | 0 | 0 | 0 | 115.4 | S1910 G1911 | D1908-S1910 VanDerWaalsContact CG-OG 3.28Å; D1908-S1910 WeakPolarHBondContact OD1-CA 3.44Å; D1908-S1910 WeakPolarHBondContact OD1-CB 3.14Å; D1908-S1910 PolarHBondContact OD1-N 3.39Å; D1908-S1910 PolarHBondContact OD1-OG 2.97Å; D1908-S1910 PolarHBondContact OD2-OG 2.91Å; D1908-G1911 PolarHBondContact OD1-N 2.79Å |
| 1909 | G | 83.6 | Confident | 84.9 | Confident | 28 Ų | 28 | 23.9 Ų | 23.9 | 29% | 0.289 | 13% | 0.129 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | 94.8 | -9.3 | -170.9 | 0 | 0 | 0 | 0 | 0 | 114.8 | G2076 L2077 | G1909-G2076 WeakPolarHBondContact O-CA 3.21Å; G1909-G2076 PolarHBondContact O-N 2.82Å; G1909-L2077 WeakPolarHBondContact CA-O 2.98Å; G1909-L2077 PolarHBondContact N-O 2.91Å |
| 1910 | S | 81.1 | Confident | 84.3 | Confident | 62 Ų | 62 | 23.3 Ų | 23.3 | 43% | 0.434 | 13% | 0.129 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.6 | -18.9 | 176.6 | 74.3 | 0 | 0 | 0 | 0 | 114.1 | D1908 N2101 | D1908-S1910 VanDerWaalsContact CG-OG 3.28Å; D1908-S1910 WeakPolarHBondContact OD1-CA 3.44Å; D1908-S1910 WeakPolarHBondContact OD1-CB 3.14Å; D1908-S1910 PolarHBondContact OD1-N 3.39Å; D1908-S1910 PolarHBondContact OD1-OG 2.97Å; D1908-S1910 PolarHBondContact OD2-OG 2.91Å; S1910-N2101 PolarHBondContact OG-ND2 2.91Å |
| 1911 | G | 83.7 | Confident | 83.9 | Confident | 0 Ų | 0 | 23.4 Ų | 23.4 | 0% | 0 | 13% | 0.13 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -74.7 | 166.1 | 178.9 | 0 | 0 | 0 | 0 | 0 | 115.9 | D1908 G2056 Q2100 N2101 | D1908-G1911 PolarHBondContact OD1-N 2.79Å; G1911-G2056 CarbonylContact O-C 3.6Å; G1911-Q2100 CarbonylContact C-O 3.55Å; G1911-Q2100 WeakPolarHBondContact CA-O 3.38Å; G1911-N2101 WeakPolarHBondContact CA-O 3.45Å |
| 1912 | W | 90.1 | Very high | 83.4 | Confident | 17 Ų | 17 | 25.6 Ų | 25.6 | 6% | 0.064 | 14% | 0.141 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -160.6 | 152.3 | 175.8 | 52.3 | -92.1 | 0 | 0 | 0 | 109.2 | W1914 I2055 A2059 K2098 V2099 Q2100 | W1912-W1914 AromaticContact CE3-CD1 3.46Å; W1912-W1914 VanDerWaalsContact CE3-CD1 3.46Å; W1912-W1914 HydrophobicContact CE3-CD2 4.45Å; W1912-W1914 HydrophobicContact CE3-CG 4.08Å; W1912-W1914 AromaticContact CE3-NE1 3.48Å; W1912-W1914 HydrophobicContact CH2-CZ2 4.38Å; W1912-W1914 AromaticContact CZ3-CD1 3.55Å; W1912-W1914 AromaticContact CZ3-CD2 3.76Å; W1912-W1914 HydrophobicContact CZ3-CD2 3.76Å; W1912-W1914 AromaticContact CZ3-CE2 3.56Å; W1912-W1914 AromaticContact CZ3-CG 3.76Å; W1912-W1914 HydrophobicContact CZ3-CG 3.76Å; W1912-W1914 HydrophobicContact CZ3-CZ2 4.22Å; W1912-W1914 AromaticContact CZ3-NE1 3.42Å; W1912-I2055 WeakPolarHBondContact CA-O 3.28Å; W1912-A2059 HydrophobicContact CD2-CB 3.93Å; W1912-A2059 HydrophobicContact CE3-CB 4.14Å; W1912-A2059 HydrophobicContact CH2-CB 4.02Å; W1912-A2059 HydrophobicContact CZ2-CB 3.81Å; W1912-A2059 HydrophobicContact CZ3-CB 4.19Å; W1912-K2098 HydrophobicContact CH2-CB 4.46Å; W1912-K2098 HydrophobicContact CH2-CD 3.89Å; W1912-K2098 HydrophobicContact CH2-CG 3.86Å; W1912-K2098 HydrophobicContact CZ3-CB 4.12Å; W1912-K2098 HydrophobicContact CZ3-CD 4.33Å; W1912-K2098 HydrophobicContact CZ3-CG 4.03Å; W1912-V2099 WeakPolarHBondContact O-CA 3.44Å; W1912-V2099 WeakPolarHBondContact O-CG2 3.47Å; W1912-Q2100 HydrophobicContact CD2-CB 4.19Å; W1912-Q2100 HydrophobicContact CG-CB 4.5Å; W1912-Q2100 HydrophobicContact CZ2-CB 3.85Å; W1912-Q2100 PolarHBondContact N-O 2.76Å; W1912-Q2100 PolarHBondContact O-N 2.64Å |
| 1913 | A | 91.2 | Very high | 83.2 | Confident | 0 Ų | 0 | 31.7 Ų | 31.7 | 0% | 0 | 16% | 0.162 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -134.1 | 132.4 | 176 | 0 | 0 | 0 | 0 | 0 | 110.6 | F1907 F1915 Q2054 I2055 P2096 V2099 | F1907-A1913 HydrophobicContact CE1-CB 4.1Å; F1907-A1913 HydrophobicContact CZ-CB 4.32Å; A1913-F1915 HydrophobicContact CB-CE2 3.67Å; A1913-F1915 HydrophobicContact CB-CZ 4.1Å; A1913-Q2054 WeakPolarHBondContact O-CA 3.29Å; A1913-I2055 PolarHBondContact N-O 3.28Å; A1913-I2055 PolarHBondContact O-N 2.79Å; A1913-P2096 HydrophobicContact CB-CB 4.23Å; A1913-V2099 HydrophobicContact CB-CB 4.39Å; A1913-V2099 HydrophobicContact CB-CG2 3.95Å |
| 1914 | W | 91.8 | Very high | 83 | Confident | 0 Ų | 0 | 31.3 Ų | 31.3 | 0% | 0 | 16% | 0.16 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -93.7 | 137.4 | 177.4 | -71.5 | -3.7 | 0 | 0 | 0 | 111.8 | L1782 G1785 L1786 L1789 W1912 I1945 P2052 L2053 A2059 P2096 L2097 K2098 | L1782-W1914 HydrophobicContact CD1-CE3 4.15Å; L1782-W1914 HydrophobicContact CD1-CZ3 4.23Å; G1785-W1914 WeakPolarHBondContact O-CH2 3.47Å; L1786-W1914 HydrophobicContact CG-CZ3 4.45Å; L1789-W1914 HydrophobicContact CD2-CH2 4.34Å; W1912-W1914 AromaticContact CE3-CD1 3.46Å; W1912-W1914 VanDerWaalsContact CE3-CD1 3.46Å; W1912-W1914 HydrophobicContact CE3-CD2 4.45Å; W1912-W1914 HydrophobicContact CE3-CG 4.08Å; W1912-W1914 AromaticContact CE3-NE1 3.48Å; W1912-W1914 HydrophobicContact CH2-CZ2 4.38Å; W1912-W1914 AromaticContact CZ3-CD1 3.55Å; W1912-W1914 AromaticContact CZ3-CD2 3.76Å; W1912-W1914 HydrophobicContact CZ3-CD2 3.76Å; W1912-W1914 AromaticContact CZ3-CE2 3.56Å; W1912-W1914 AromaticContact CZ3-CG 3.76Å; W1912-W1914 HydrophobicContact CZ3-CG 3.76Å; W1912-W1914 HydrophobicContact CZ3-CZ2 4.22Å; W1912-W1914 AromaticContact CZ3-NE1 3.42Å; W1914-I1945 HydrophobicContact CH2-CD1 4.2Å; W1914-I1945 HydrophobicContact CZ2-CD1 3.82Å; W1914-P2052 HydrophobicContact CB-CB 4.1Å; W1914-P2052 HydrophobicContact CD2-CB 4.13Å; W1914-P2052 HydrophobicContact CD2-CG 4.32Å; W1914-P2052 HydrophobicContact CE3-CB 4.45Å; W1914-P2052 HydrophobicContact CE3-CG 4.19Å; W1914-P2052 HydrophobicContact CG-CB 3.98Å; W1914-L2053 CarbonylContact C-O 3.53Å; W1914-L2053 WeakPolarHBondContact CA-O 3.37Å; W1914-A2059 HydrophobicContact CZ2-CB 3.59Å; W1914-P2096 CarbonylContact O-C 3.57Å; W1914-P2096 WeakPolarHBondContact O-CA 3.33Å; W1914-L2097 HydrophobicContact CB-CB 4.17Å; W1914-L2097 PolarHBondContact O-N 2.82Å; W1914-K2098 HydrophobicContact CB-CB 4.29Å; W1914-K2098 HydrophobicContact CD2-CB 4.03Å; W1914-K2098 HydrophobicContact CE3-CB 3.62Å; W1914-K2098 HydrophobicContact CE3-CD 3.96Å; W1914-K2098 HydrophobicContact CE3-CG 4.38Å; W1914-K2098 HydrophobicContact CG-CB 4.34Å; W1914-K2098 HydrophobicContact CH2-CD 4.24Å; W1914-K2098 HydrophobicContact CZ3-CB 4.3Å; W1914-K2098 HydrophobicContact CZ3-CD 3.77Å; W1914-K2098 PolarHBondContact N-O 3.03Å |
| 1915 | F | 91 | Very high | 82.8 | Confident | 12 Ų | 12 | 31.3 Ų | 31.3 | 5% | 0.053 | 16% | 0.16 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -133.8 | 173.2 | 172.9 | -59.4 | -83.9 | 0 | 0 | 0 | 109.5 | A1913 L2053 I2055 V2091 F2093 P2096 | A1913-F1915 HydrophobicContact CB-CE2 3.67Å; A1913-F1915 HydrophobicContact CB-CZ 4.1Å; F1915-L2053 HydrophobicContact CB-CB 4.31Å; F1915-L2053 HydrophobicContact CB-CD2 4.45Å; F1915-L2053 PolarHBondContact N-O 3.06Å; F1915-L2053 PolarHBondContact O-N 3.31Å; F1915-I2055 HydrophobicContact CD2-CB 4.48Å; F1915-I2055 HydrophobicContact CD2-CG1 3.82Å; F1915-I2055 HydrophobicContact CE2-CB 4.2Å; F1915-I2055 HydrophobicContact CE2-CG1 3.94Å; F1915-V2091 HydrophobicContact CD1-CG1 3.91Å; F1915-V2091 HydrophobicContact CE1-CG1 4.33Å; F1915-V2091 HydrophobicContact CG-CG1 4.17Å; F1915-F2093 HydrophobicContact CE1-CD1 4.05Å; F1915-F2093 AromaticContact CE2-CD1 3.9Å; F1915-F2093 HydrophobicContact CE2-CD1 3.9Å; F1915-F2093 HydrophobicContact CE2-CE1 4.22Å; F1915-F2093 HydrophobicContact CZ-CB 4.27Å; F1915-F2093 AromaticContact CZ-CD1 3.5Å; F1915-F2093 HydrophobicContact CZ-CD1 3.5Å; F1915-F2093 HydrophobicContact CZ-CE1 4.28Å; F1915-F2093 HydrophobicContact CZ-CG 4.32Å; F1915-P2096 HydrophobicContact CD1-CB 4.48Å; F1915-P2096 HydrophobicContact CE1-CB 3.81Å; F1915-P2096 HydrophobicContact CE2-CB 4.49Å; F1915-P2096 HydrophobicContact CZ-CB 3.81Å |
| 1916 | E | 84.7 | Confident | 82.7 | Confident | 76 Ų | 76 | 30.5 Ų | 30.5 | 36% | 0.355 | 16% | 0.157 | S | C | . | . | P | Polyproline II helix | trans | -60.9 | 146 | 174.4 | -68.1 | -61.5 | 140.6 | 0 | 0 | 111.4 | S1779 A1781 L2053 L2097 | S1779-E1916 WeakPolarHBondContact CB-OE1 3.34Å; S1779-E1916 PolarHBondContact OG-OE1 2.81Å; A1781-E1916 WeakPolarHBondContact CB-OE2 3.45Å; E1916-L2053 VanDerWaalsContact O-CB 3.24Å; E1916-L2053 WeakPolarHBondContact O-CB 3.36Å; E1916-L2097 HydrophobicContact CG-CD1 4.47Å; E1916-L2097 WeakPolarHBondContact OE1-CD1 3.47Å |
| 1917 | P | 84.5 | Confident | 82.7 | Confident | 18 Ų | 18 | 30.5 Ų | 30.5 | 12% | 0.117 | 16% | 0.156 | C | C | . | . | P | Polyproline II helix | trans | -67.4 | 155.2 | -178.2 | 27.2 | -34.7 | 0 | 0 | 0 | 113.2 | K1919 T2049 | P1917-K1919 PolarHBondContact O-N 3.24Å; P1917-T2049 VanDerWaalsContact CB-O 3.32Å; P1917-T2049 WeakPolarHBondContact CB-O 3.47Å |
| 1918 | I | 83.6 | Confident | 82.7 | Confident | 5 Ų | 5 | 30.4 Ų | 30.4 | 3% | 0.026 | 16% | 0.156 | C | C | . | . | P | Polyproline II helix | trans | -57.5 | 134.8 | 163.1 | -62.4 | 164.8 | 0 | 0 | 0 | 108.3 | V1926 N1942 L1961 T2049 L2053 I2086 | I1918-V1926 HydrophobicContact CD1-CG2 3.97Å; I1918-N1942 WeakPolarHBondContact CG1-OD1 3.45Å; I1918-N1942 PolarHBondContact N-OD1 2.82Å; I1918-L1961 HydrophobicContact CD1-CD2 3.66Å; I1918-T2049 PolarHBondContact O-OG1 3.04Å; I1918-T2049 VanDerWaalsContact O-OG1 3.12Å; I1918-L2053 HydrophobicContact CD1-CD1 4.48Å; I1918-I2086 HydrophobicContact CG1-CD1 4.23Å; I1918-I2086 HydrophobicContact CG1-CG2 4.34Å |
| 1919 | K | 74.2 | Confident | 82.9 | Confident | 98 Ų | 98 | 27.9 Ų | 27.9 | 43% | 0.426 | 14% | 0.142 | S | C | . | . | P | Polyproline II helix | trans | -90.4 | 138.7 | -178.9 | -59 | -63.9 | -179.8 | 179 | 0 | 110.6 | P1861 P1917 C1921 | P1861-K1919 HydrophobicContact CB-CB 4.14Å; P1861-K1919 HydrophobicContact CB-CG 4.19Å; P1861-K1919 HydrophobicContact CG-CB 4.17Å; P1917-K1919 PolarHBondContact O-N 3.24Å; K1919-C1921 PolarHBondContact O-N 2.91Å |
| 1920 | S | 67.4 | Low | 83.4 | Confident | 15 Ų | 15 | 26.6 Ų | 26.6 | 11% | 0.105 | 13% | 0.128 | C | C | . | . | trans | -68.4 | 110 | -173.1 | -41.4 | 0 | 0 | 0 | 0 | 112.2 | A1826 L2047 | A1826-S1920 VanDerWaalsContact CB-O 3.3Å; A1826-S1920 WeakPolarHBondContact CB-O 3.3Å; S1920-L2047 PolarHBondContact OG-O 3.42Å | ||
| 1921 | C | 70.9 | Confident | 83.9 | Confident | 3 Ų | 3 | 23.6 Ų | 23.6 | 2% | 0.02 | 11% | 0.107 | C | C | . | . | B | Isolated β-bridge | trans | -144.1 | 157.4 | 167.2 | -47.7 | 0 | 0 | 0 | 0 | 110 | H1825 A1826 C1860 K1919 | H1825-C1921 CarbonylContact O-C 3.57Å; H1825-C1921 WeakPolarHBondContact O-CA 3.42Å; A1826-C1921 HydrophobicContact CB-CB 4.13Å; C1860-C1921 WeakPolarHBondContact CA-SG 3.4Å; C1860-C1921 HydrophobicContact CB-CB 4.01Å; C1860-C1921 WeakPolarHBondContact CB-SG 3.42Å; C1860-C1921 WeakPolarHBondContact SG-CB 3.49Å; C1860-C1921 CovalentContact SG-SG 2.04Å; C1860-C1921 PolarHBondContact SG-SG 2.98Å; K1919-C1921 PolarHBondContact O-N 2.91Å |
| 1922 | Q | 69.2 | Low | 84.3 | Confident | 47 Ų | 47 | 23.7 Ų | 23.7 | 22% | 0.22 | 11% | 0.108 | C | C | . | . | S | Bend | trans | -69.2 | -32.2 | 180 | -179.3 | -179.8 | 59.9 | 0 | 0 | 113.3 | S1824 H1825 G2006 D2045 Q2046 | S1824-Q1922 PolarHBondContact O-NE2 2.91Å; S1824-Q1922 VanDerWaalsContact O-NE2 3.13Å; H1825-Q1922 PolarHBondContact ND1-OE1 2.8Å; H1825-Q1922 VanDerWaalsContact O-CB 3.29Å; H1825-Q1922 WeakPolarHBondContact O-CB 3.01Å; H1825-Q1922 PolarHBondContact O-N 2.84Å; Q1922-G2006 PolarHBondContact O-N 2.81Å; Q1922-D2045 PolarHBondContact NE2-OD2 2.56Å; Q1922-Q2046 HydrophobicContact CB-CG 4.37Å |
| 1923 | R | 72 | Confident | 84.3 | Confident | 131 Ų | 131 | 28 Ų | 28 | 49% | 0.494 | 13% | 0.129 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.4 | 120.1 | 171.7 | -78.1 | 176.2 | 167.6 | -175.1 | -12.4 | 109.4 | V2004 D2005 E2268 | R1923-V2004 WeakPolarHBondContact CA-O 3.35Å; R1923-D2005 WeakPolarHBondContact CG-OD1 3.3Å; R1923-D2005 IonicContact CZ-OD1 3.11Å; R1923-D2005 IonicContact CZ-OD2 2.77Å; R1923-D2005 VanDerWaalsContact NE-CG 3.33Å; R1923-D2005 IonicContact NE-OD1 2.66Å; R1923-D2005 PolarHBondContact NE-OD1 3.1Å; R1923-D2005 IonicContact NE-OD2 3.27Å; R1923-D2005 PolarHBondContact NE-OD2 3.03Å; R1923-D2005 IonicContact NH2-OD1 2.67Å; R1923-D2005 PolarHBondContact NH2-OD1 3.37Å; R1923-D2005 IonicContact NH2-OD2 3.37Å; R1923-D2005 PolarHBondContact NH2-OD2 2.72Å; R1923-E2268 IonicContact CZ-OE1 2.68Å; R1923-E2268 IonicContact NH1-OE1 3.86Å; R1923-E2268 PolarHBondContact NH1-OE1 2.85Å; R1923-E2268 IonicContact NH2-OE1 3.46Å |
| 1924 | W | 78.1 | Confident | 84.1 | Confident | 9 Ų | 9 | 29.5 Ų | 29.5 | 3% | 0.034 | 14% | 0.14 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -146.9 | 156.4 | 174.1 | 64.3 | -97.4 | 0 | 0 | 0 | 113.3 | V1926 L1961 L2002 V2004 L2047 N2087 | W1924-V1926 HydrophobicContact CE3-CG2 3.83Å; W1924-V1926 HydrophobicContact CZ3-CB 4.07Å; W1924-V1926 HydrophobicContact CZ3-CG2 3.6Å; W1924-L1961 HydrophobicContact CH2-CD1 4.1Å; W1924-L1961 HydrophobicContact CH2-CD2 3.6Å; W1924-L1961 HydrophobicContact CH2-CG 4.45Å; W1924-L1961 HydrophobicContact CZ2-CD2 4.4Å; W1924-L1961 HydrophobicContact CZ3-CD2 4.14Å; W1924-L2002 HydrophobicContact CZ3-CB 4.07Å; W1924-V2004 HydrophobicContact CD2-CB 4.02Å; W1924-V2004 HydrophobicContact CD2-CG2 4.16Å; W1924-V2004 VanDerWaalsContact CE2-CG2 3.46Å; W1924-V2004 HydrophobicContact CG-CB 4.23Å; W1924-V2004 HydrophobicContact CH2-CG2 3.81Å; W1924-V2004 HydrophobicContact CZ2-CB 4.02Å; W1924-V2004 HydrophobicContact CZ2-CG2 3.29Å; W1924-V2004 HydrophobicContact CZ3-CG2 4.43Å; W1924-V2004 PolarHBondContact N-O 2.73Å; W1924-V2004 VanDerWaalsContact N-O 3.08Å; W1924-V2004 PolarHBondContact O-N 3.43Å; W1924-L2047 HydrophobicContact CZ2-CD2 3.75Å; W1924-N2087 VanDerWaalsContact CA-OD1 3.28Å; W1924-N2087 WeakPolarHBondContact CA-OD1 3.31Å; W1924-N2087 WeakPolarHBondContact CB-OD1 3.33Å |
| 1925 | N | 82.4 | Confident | 83.8 | Confident | 20 Ų | 20 | 34.2 Ų | 34.2 | 11% | 0.107 | 16% | 0.164 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -132.4 | 143.7 | 172.5 | 63.6 | 75.5 | 0 | 0 | 0 | 112.9 | L2002 F2003 N2087 G2088 | N1925-L2002 CarbonylContact C-O 3.46Å; N1925-L2002 VanDerWaalsContact CA-O 3.24Å; N1925-L2002 WeakPolarHBondContact CA-O 3.32Å; N1925-F2003 HydrophobicContact CB-CD1 3.7Å; N1925-F2003 HydrophobicContact CB-CE1 3.71Å; N1925-F2003 HydrophobicContact CB-CG 4.48Å; N1925-N2087 PolarHBondContact N-OD1 3.48Å; N1925-N2087 PolarHBondContact O-N 3.37Å; N1925-N2087 PolarHBondContact O-OD1 2.93Å; N1925-N2087 WeakPolarHBondContact OD1-CA 3.07Å; N1925-N2087 PolarHBondContact OD1-N 2.92Å; N1925-G2088 PolarHBondContact OD1-N 2.9Å |
| 1926 | V | 88.5 | Confident | 83.5 | Confident | 2 Ų | 2 | 35.8 Ų | 35.8 | 1% | 0.012 | 17% | 0.173 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.1 | 121.9 | 168.8 | 172.7 | 0 | 0 | 0 | 0 | 107.9 | I1918 W1924 L1928 L1940 E2001 L2002 L2084 F2085 I2086 | I1918-V1926 HydrophobicContact CD1-CG2 3.97Å; W1924-V1926 HydrophobicContact CE3-CG2 3.83Å; W1924-V1926 HydrophobicContact CZ3-CB 4.07Å; W1924-V1926 HydrophobicContact CZ3-CG2 3.6Å; V1926-L1928 HydrophobicContact CG1-CD2 4.28Å; V1926-L1940 HydrophobicContact CG1-CD1 4.11Å; V1926-E2001 CarbonylContact O-C 3.49Å; V1926-E2001 WeakPolarHBondContact O-CA 3.35Å; V1926-L2002 HydrophobicContact CB-CB 4.33Å; V1926-L2002 HydrophobicContact CB-CD1 4.42Å; V1926-L2002 PolarHBondContact N-O 2.64Å; V1926-L2002 PolarHBondContact O-N 3.44Å; V1926-L2084 HydrophobicContact CG1-CD1 3.86Å; V1926-F2085 WeakPolarHBondContact CA-O 3.49Å; V1926-I2086 HydrophobicContact CG2-CG1 4.36Å; V1926-I2086 HydrophobicContact CG2-CG2 4.36Å |
| 1927 | S | 89.2 | Confident | 83.6 | Confident | 9 Ų | 9 | 32.1 Ų | 32.1 | 6% | 0.063 | 16% | 0.157 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.9 | 125.5 | 179.2 | 179.6 | 0 | 0 | 0 | 0 | 107.6 | L2084 F2085 R2262 | S1927-L2084 CarbonylContact O-C 3.57Å; S1927-L2084 WeakPolarHBondContact O-CA 3.39Å; S1927-F2085 PolarHBondContact N-O 3.45Å; S1927-F2085 PolarHBondContact O-N 3.32Å; S1927-R2262 PolarHBondContact OG-NH2 2.77Å; S1927-R2262 VanDerWaalsContact OG-NH2 3.14Å |
| 1928 | L | 93.5 | Very high | 84 | Confident | 4 Ų | 4 | 31.3 Ų | 31.3 | 2% | 0.021 | 15% | 0.151 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -147.4 | 161.2 | 178.9 | 62.7 | 81.3 | 0 | 0 | 0 | 111.7 | V1926 V1930 I1939 L1940 I2000 N2083 L2084 | V1926-L1928 HydrophobicContact CG1-CD2 4.28Å; L1928-V1930 HydrophobicContact CD1-CG2 3.42Å; L1928-V1930 VanDerWaalsContact CD1-CG2 3.42Å; L1928-I1939 HydrophobicContact CD1-CG2 3.92Å; L1928-I1939 HydrophobicContact CD2-CG2 4.31Å; L1928-L1940 HydrophobicContact CD2-CB 4.45Å; L1928-L1940 HydrophobicContact CD2-CD1 3.85Å; L1928-I2000 HydrophobicContact CD1-CB 4.06Å; L1928-I2000 HydrophobicContact CD1-CD1 4.1Å; L1928-I2000 HydrophobicContact CD1-CG1 4.37Å; L1928-I2000 PolarHBondContact N-O 3.37Å; L1928-I2000 PolarHBondContact O-N 2.9Å; L1928-N2083 WeakPolarHBondContact CA-O 2.69Å; L1928-L2084 HydrophobicContact CB-CB 4.41Å; L1928-L2084 HydrophobicContact CB-CD1 3.89Å; L1928-L2084 HydrophobicContact CD2-CD1 3.88Å; L1928-L2084 HydrophobicContact CG-CD1 4.5Å |
| 1929 | E | 91.2 | Very high | 84.4 | Confident | 30 Ų | 30 | 31.1 Ų | 31.1 | 14% | 0.14 | 15% | 0.15 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.1 | 139.9 | 175.6 | -72.9 | 180 | -118.9 | 0 | 0 | 111.3 | W1997 H1998 T1999 V2081 R2082 N2083 | E1929-W1997 HydrophobicContact CB-CE3 4.02Å; E1929-H1998 CarbonylContact C-O 3.51Å; E1929-H1998 VanDerWaalsContact CA-O 3.24Å; E1929-H1998 WeakPolarHBondContact CA-O 3.34Å; E1929-T1999 HydrophobicContact CG-CG2 4.47Å; E1929-V2081 CarbonylContact O-C 3.52Å; E1929-V2081 WeakPolarHBondContact O-CA 2.99Å; E1929-R2082 HydrophobicContact CB-CG 3.61Å; E1929-R2082 PolarHBondContact N-O 3Å; E1929-R2082 PolarHBondContact O-N 2.96Å; E1929-R2082 IonicContact OE1-CZ 3.01Å; E1929-R2082 IonicContact OE1-NE 2.97Å; E1929-R2082 IonicContact OE1-NH2 2.7Å; E1929-R2082 PolarHBondContact OE1-NH2 2.82Å; E1929-R2082 IonicContact OE2-CZ 3.32Å; E1929-R2082 IonicContact OE2-NE 3.63Å; E1929-R2082 PolarHBondContact OE2-NE 2.85Å; E1929-R2082 IonicContact OE2-NH2 3.59Å; E1929-R2082 PolarHBondContact OE2-NH2 2.86Å; E1929-N2083 HydrophobicContact CG-CB 4.46Å; E1929-N2083 PolarHBondContact OE1-ND2 2.9Å |
| 1930 | V | 92.9 | Very high | 85.3 | Confident | 0 Ų | 0 | 26.5 Ų | 26.5 | 0% | 0 | 13% | 0.13 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.5 | 138.9 | -177.6 | -173.1 | 0 | 0 | 0 | 0 | 111 | L1928 T1932 I1939 W1997 H1998 I2000 L2077 | L1928-V1930 HydrophobicContact CD1-CG2 3.42Å; L1928-V1930 VanDerWaalsContact CD1-CG2 3.42Å; V1930-T1932 HydrophobicContact CG1-CG2 4.3Å; V1930-I1939 HydrophobicContact CG1-CD1 4.46Å; V1930-I1939 HydrophobicContact CG1-CG1 4.41Å; V1930-I1939 HydrophobicContact CG2-CD1 4.17Å; V1930-I1939 HydrophobicContact CG2-CG1 4.33Å; V1930-I1939 HydrophobicContact CG2-CG2 3.66Å; V1930-W1997 WeakPolarHBondContact O-CA 3.25Å; V1930-H1998 PolarHBondContact N-O 2.96Å; V1930-H1998 PolarHBondContact O-N 3.46Å; V1930-I2000 HydrophobicContact CG2-CD1 3.94Å; V1930-L2077 HydrophobicContact CG1-CD1 4.37Å; V1930-L2077 HydrophobicContact CG1-CD2 4.33Å |
| 1931 | L | 92.4 | Very high | 86.4 | Confident | 0 Ų | 0 | 25.8 Ų | 25.8 | 0% | 0 | 13% | 0.125 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.1 | 115.2 | 172.2 | 177.3 | 69.9 | 0 | 0 | 0 | 109 | G1995 H1996 W1997 G2079 C2080 V2109 D2133 F2134 | L1931-G1995 WeakPolarHBondContact CD1-O 3.28Å; L1931-H1996 VanDerWaalsContact CD1-C 3.47Å; L1931-H1996 VanDerWaalsContact CD1-O 3.29Å; L1931-H1996 WeakPolarHBondContact CD1-O 3.23Å; L1931-W1997 HydrophobicContact CB-CD2 3.69Å; L1931-W1997 HydrophobicContact CB-CE3 3.55Å; L1931-W1997 HydrophobicContact CB-CG 4.43Å; L1931-W1997 HydrophobicContact CB-CH2 3.71Å; L1931-W1997 HydrophobicContact CB-CZ2 3.82Å; L1931-W1997 HydrophobicContact CB-CZ3 3.55Å; L1931-W1997 HydrophobicContact CD2-CD2 4.44Å; L1931-W1997 HydrophobicContact CD2-CH2 4.24Å; L1931-W1997 HydrophobicContact CD2-CZ2 3.63Å; L1931-W1997 HydrophobicContact CG-CD2 4.44Å; L1931-W1997 HydrophobicContact CG-CZ2 4.33Å; L1931-G2079 CarbonylContact O-C 3.45Å; L1931-G2079 WeakPolarHBondContact O-CA 3.46Å; L1931-C2080 HydrophobicContact CB-CB 4.42Å; L1931-C2080 PolarHBondContact N-O 2.81Å; L1931-C2080 PolarHBondContact O-N 2.68Å; L1931-V2109 HydrophobicContact CD2-CG1 3.89Å; L1931-V2109 HydrophobicContact CD2-CG2 3.88Å; L1931-D2133 HydrophobicContact CD1-CB 3.92Å; L1931-F2134 HydrophobicContact CD1-CD2 3.64Å; L1931-F2134 HydrophobicContact CD1-CE2 4.03Å; L1931-F2134 HydrophobicContact CD2-CD2 4.33Å; L1931-F2134 HydrophobicContact CD2-CE2 4.22Å; L1931-F2134 HydrophobicContact CG-CD2 3.88Å; L1931-F2134 HydrophobicContact CG-CE2 3.74Å |
| 1932 | T | 92.6 | Very high | 87.3 | Confident | 1 Ų | 1 | 25.6 Ų | 25.6 | 1% | 0.006 | 12% | 0.124 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -153.1 | 160 | 178.7 | -171.8 | 0 | 0 | 0 | 0 | 112.8 | V1930 S1934 L1965 N1993 G1995 L2077 N2078 | V1930-T1932 HydrophobicContact CG1-CG2 4.3Å; T1932-S1934 WeakPolarHBondContact OG1-CB 3.35Å; T1932-S1934 PolarHBondContact OG1-N 3.36Å; T1932-L1965 HydrophobicContact CG2-CD2 4.24Å; T1932-N1993 HydrophobicContact CG2-CB 4.09Å; T1932-N1993 CarbonylContact O-C 3.55Å; T1932-N1993 WeakPolarHBondContact O-CA 3.42Å; T1932-G1995 PolarHBondContact O-N 3.07Å; T1932-L2077 HydrophobicContact CG2-CD1 4.27Å; T1932-N2078 PolarHBondContact OG1-O 2.83Å |
| 1933 | Q | 88.3 | Confident | 88.1 | Confident | 107 Ų | 107 | 23.4 Ų | 23.4 | 50% | 0.5 | 11% | 0.114 | S | C | . | . | trans | -124.3 | 8.7 | 165 | -66.5 | -174.3 | -26.2 | 0 | 0 | 111.7 | F2134 | Q1933-F2134 HydrophobicContact CG-CD2 3.9Å; Q1933-F2134 HydrophobicContact CG-CE2 4Å; Q1933-F2134 HydrophobicContact CG-CG 4.2Å; Q1933-F2134 HydrophobicContact CG-CZ 4.43Å | ||
| 1934 | S | 88 | Confident | 88.3 | Confident | 33 Ų | 33 | 17.6 Ų | 17.6 | 23% | 0.231 | 9% | 0.093 | C | C | . | . | trans | -69.8 | 157.3 | 175.7 | -167.2 | 0 | 0 | 0 | 0 | 110.8 | T1932 D1936 L1965 N1993 | T1932-S1934 WeakPolarHBondContact OG1-CB 3.35Å; T1932-S1934 PolarHBondContact OG1-N 3.36Å; S1934-D1936 PolarHBondContact OG-N 3.48Å; S1934-D1936 PolarHBondContact OG-O 3.13Å; S1934-L1965 WeakPolarHBondContact O-CD2 3.4Å; S1934-N1993 WeakPolarHBondContact O-CB 3.27Å; S1934-N1993 PolarHBondContact O-ND2 2.83Å | ||
| 1935 | N | 85.5 | Confident | 88.3 | Confident | 98 Ų | 98 | 17.2 Ų | 17.2 | 52% | 0.524 | 9% | 0.091 | S | C | . | . | S | Bend | trans | -89.8 | -28.9 | 169.8 | -77.3 | -58.9 | 0 | 0 | 0 | 112.7 | K1966 R1967 G1968 N1993 | N1935-K1966 CarbonylContact O-C 3.53Å; N1935-R1967 CarbonylContact O-C 3.4Å; N1935-R1967 WeakPolarHBondContact O-CA 3.32Å; N1935-R1967 PolarHBondContact O-N 2.85Å; N1935-G1968 PolarHBondContact O-N 3.01Å; N1935-N1993 PolarHBondContact OD1-ND2 2.67Å |
| 1936 | D | 84.2 | Confident | 87.7 | Confident | 45 Ų | 45 | 16.7 Ų | 16.7 | 24% | 0.241 | 9% | 0.089 | C | C | . | . | S | Bend | trans | -131.5 | 145.3 | 178 | -59.9 | -53.9 | 0 | 0 | 0 | 108.9 | S1934 L1965 K1966 R1967 T2075 | S1934-D1936 PolarHBondContact OG-N 3.48Å; S1934-D1936 PolarHBondContact OG-O 3.13Å; D1936-L1965 WeakPolarHBondContact CA-O 3.18Å; D1936-K1966 VanDerWaalsContact OD1-CA 3.28Å; D1936-K1966 WeakPolarHBondContact OD1-CA 3.31Å; D1936-K1966 WeakPolarHBondContact OD1-CD 3.18Å; D1936-K1966 WeakPolarHBondContact OD1-CE 3.34Å; D1936-K1966 IonicContact OD1-NZ 2.74Å; D1936-R1967 PolarHBondContact OD1-N 2.66Å; D1936-T2075 WeakPolarHBondContact CB-OG1 3.03Å |
| 1937 | G | 87.9 | Confident | 86.5 | Confident | 0 Ų | 0 | 17.6 Ų | 17.6 | 0% | 0 | 9% | 0.094 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 173.8 | 129.4 | 179.4 | 0 | 0 | 0 | 0 | 0 | 113.3 | A1964 L1965 T2075 | G1937-A1964 WeakPolarHBondContact O-CA 3.46Å; G1937-L1965 PolarHBondContact N-O 3.32Å; G1937-L1965 PolarHBondContact O-N 3.35Å; G1937-T2075 CarbonylContact C-O 3.54Å; G1937-T2075 WeakPolarHBondContact CA-O 3.18Å; G1937-T2075 PolarHBondContact N-OG1 3.21Å |
| 1938 | V | 91.6 | Very high | 85.1 | Confident | 0 Ų | 0 | 21.6 Ų | 21.6 | 0% | 0 | 11% | 0.114 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -76.1 | 125.3 | 171.8 | -179.3 | 0 | 0 | 0 | 0 | 109.2 | Y1962 A1964 G2056 I2058 T2073 T2075 | V1938-Y1962 HydrophobicContact CG2-CE2 4.05Å; V1938-A1964 HydrophobicContact CG2-CB 4.37Å; V1938-G2056 CarbonylContact O-C 3.48Å; V1938-G2056 WeakPolarHBondContact O-CA 3.42Å; V1938-I2058 HydrophobicContact CG1-CD1 4.34Å; V1938-I2058 HydrophobicContact CG1-CG1 4.08Å; V1938-I2058 HydrophobicContact CG2-CD1 4.25Å; V1938-I2058 HydrophobicContact CG2-CG1 4.37Å; V1938-T2073 HydrophobicContact CG2-CG2 3.84Å; V1938-T2073 WeakPolarHBondContact CG2-O 3.43Å; V1938-T2075 PolarHBondContact N-O 2.8Å |
| 1939 | I | 92.2 | Very high | 83.3 | Confident | 1 Ų | 1 | 25.2 Ų | 25.2 | 1% | 0.005 | 13% | 0.127 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -91.7 | -50.3 | -179.4 | -64.5 | 159.2 | 0 | 0 | 0 | 109.3 | L1928 V1930 V1963 L1970 I1992 I2000 G2056 L2077 V2081 | L1928-I1939 HydrophobicContact CD1-CG2 3.92Å; L1928-I1939 HydrophobicContact CD2-CG2 4.31Å; V1930-I1939 HydrophobicContact CG1-CD1 4.46Å; V1930-I1939 HydrophobicContact CG1-CG1 4.41Å; V1930-I1939 HydrophobicContact CG2-CD1 4.17Å; V1930-I1939 HydrophobicContact CG2-CG1 4.33Å; V1930-I1939 HydrophobicContact CG2-CG2 3.66Å; I1939-V1963 HydrophobicContact CB-CB 4.49Å; I1939-V1963 HydrophobicContact CB-CG1 4.23Å; I1939-V1963 WeakPolarHBondContact CB-O 3.45Å; I1939-V1963 HydrophobicContact CD1-CG1 4.26Å; I1939-V1963 HydrophobicContact CG2-CG1 4.48Å; I1939-V1963 PolarHBondContact N-O 3.21Å; I1939-L1970 HydrophobicContact CD1-CD1 4.31Å; I1939-I1992 HydrophobicContact CD1-CD1 4.15Å; I1939-I2000 HydrophobicContact CD1-CD1 4.13Å; I1939-G2056 PolarHBondContact O-N 3.18Å; I1939-L2077 HydrophobicContact CG1-CD1 4.47Å; I1939-V2081 HydrophobicContact CG2-CG2 4.44Å |
| 1940 | L | 93.4 | Very high | 81.4 | Confident | 1 Ų | 1 | 29.8 Ų | 29.8 | 1% | 0.005 | 16% | 0.16 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -144.4 | 135.1 | -178.4 | -179.9 | 155.5 | 0 | 0 | 0 | 109.1 | V1926 L1928 L1961 V1963 L2053 Q2054 I2055 L2084 | V1926-L1940 HydrophobicContact CG1-CD1 4.11Å; L1928-L1940 HydrophobicContact CD2-CB 4.45Å; L1928-L1940 HydrophobicContact CD2-CD1 3.85Å; L1940-L1961 HydrophobicContact CD2-CD2 3.83Å; L1940-L1961 HydrophobicContact CD2-CG 4.05Å; L1940-V1963 HydrophobicContact CB-CB 4.07Å; L1940-V1963 HydrophobicContact CB-CG2 4.19Å; L1940-V1963 HydrophobicContact CD2-CG2 4.2Å; L1940-V1963 PolarHBondContact N-O 2.73Å; L1940-V1963 VanDerWaalsContact N-O 3.11Å; L1940-V1963 PolarHBondContact O-N 2.79Å; L1940-L2053 HydrophobicContact CD1-CD1 3.97Å; L1940-L2053 HydrophobicContact CD2-CD1 3.87Å; L1940-L2053 HydrophobicContact CG-CD1 3.7Å; L1940-Q2054 CarbonylContact C-O 3.46Å; L1940-Q2054 WeakPolarHBondContact CA-O 3.44Å; L1940-I2055 HydrophobicContact CB-CD1 4.02Å; L1940-I2055 HydrophobicContact CD1-CD1 3.83Å; L1940-I2055 HydrophobicContact CG-CD1 3.78Å; L1940-L2084 HydrophobicContact CD1-CD1 4.26Å |
| 1941 | Y | 91.3 | Very high | 79.1 | Confident | 0 Ų | 0 | 35 Ų | 35 | 0% | 0 | 19% | 0.192 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -139.8 | 128.6 | 170.3 | 179.3 | -114.1 | 0 | 0 | 0 | 110.5 | P1944 F1960 L1961 Y1962 Q2054 I2058 L2071 | Y1941-P1944 PolarHBondContact OH-O 2.94Å; Y1941-F1960 HydrophobicContact CE2-CB 4.12Å; Y1941-F1960 HydrophobicContact CE2-CD2 4.26Å; Y1941-F1960 HydrophobicContact CE2-CG 4.41Å; Y1941-L1961 CarbonylContact C-O 3.6Å; Y1941-L1961 WeakPolarHBondContact CA-O 3.15Å; Y1941-L1961 WeakPolarHBondContact CD2-O 3.15Å; Y1941-Y1962 AromaticContact CD2-CD2 3.99Å; Y1941-Y1962 HydrophobicContact CD2-CD2 3.99Å; Y1941-Y1962 HydrophobicContact CD2-CG 4.46Å; Y1941-Q2054 PolarHBondContact N-O 3.46Å; Y1941-Q2054 WeakPolarHBondContact O-CA 3.36Å; Y1941-Q2054 WeakPolarHBondContact O-CB 3.27Å; Y1941-Q2054 PolarHBondContact O-N 2.86Å; Y1941-I2058 HydrophobicContact CD1-CD1 3.8Å; Y1941-I2058 HydrophobicContact CD1-CG1 3.91Å; Y1941-I2058 HydrophobicContact CD1-CG2 4.02Å; Y1941-I2058 HydrophobicContact CD2-CD1 4.31Å; Y1941-I2058 HydrophobicContact CE1-CD1 4.37Å; Y1941-I2058 HydrophobicContact CE1-CG2 4.31Å; Y1941-I2058 HydrophobicContact CG-CD1 3.77Å; Y1941-I2058 HydrophobicContact CG-CG1 4.05Å; Y1941-L2071 HydrophobicContact CE2-CD1 4.19Å; Y1941-L2071 HydrophobicContact CE2-CD2 4.19Å |
| 1942 | N | 89.4 | Confident | 77 | Confident | 0 Ų | 0 | 37.4 Ų | 37.4 | 0% | 0 | 21% | 0.206 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.4 | 108 | 175.3 | -154.1 | 158.1 | 0 | 0 | 0 | 106.9 | I1918 F1960 L1961 T2049 F2051 L2053 | I1918-N1942 WeakPolarHBondContact CG1-OD1 3.45Å; I1918-N1942 PolarHBondContact N-OD1 2.82Å; N1942-F1960 CarbonylContact O-C 3.48Å; N1942-F1960 WeakPolarHBondContact O-CA 3.2Å; N1942-F1960 WeakPolarHBondContact O-CB 3.49Å; N1942-L1961 HydrophobicContact CB-CB 4.44Å; N1942-L1961 PolarHBondContact N-O 2.98Å; N1942-L1961 PolarHBondContact O-N 2.73Å; N1942-T2049 HydrophobicContact CB-CG2 4.07Å; N1942-T2049 WeakPolarHBondContact ND2-CB 3.4Å; N1942-T2049 WeakPolarHBondContact O-CG2 3.46Å; N1942-F2051 PolarHBondContact ND2-O 3.15Å; N1942-L2053 HydrophobicContact CB-CD1 3.86Å |
| 1943 | G | 84.4 | Confident | 74.7 | Confident | 0 Ų | 0 | 49.5 Ų | 49.5 | 0% | 0 | 25% | 0.252 | C | S | . | . | S | Bend | trans | 163.8 | -177.6 | -171.9 | 0 | 0 | 0 | 0 | 0 | 113.6 | F2051 | G1943-F2051 WeakPolarHBondContact O-CB 3.29Š|
| 1944 | P | 78.1 | Confident | 72.7 | Confident | 9 Ų | 9 | 49.1 Ų | 49.1 | 6% | 0.058 | 25% | 0.25 | C | C | . | . | trans | -60.9 | 149.4 | -173.4 | -23.5 | 33.9 | 0 | 0 | 0 | 115.3 | Y1941 P1958 F2051 Y2067 | Y1941-P1944 PolarHBondContact OH-O 2.94Å; P1944-P1958 HydrophobicContact CG-CB 3.83Å; P1944-F2051 HydrophobicContact CB-CD2 4.21Å; P1944-F2051 HydrophobicContact CB-CE2 4.04Å; P1944-F2051 HydrophobicContact CG-CD2 4.13Å; P1944-F2051 HydrophobicContact CG-CE2 3.99Å; P1944-Y2067 HydrophobicContact CB-CD2 3.96Å; P1944-Y2067 HydrophobicContact CB-CE2 4.48Å; P1944-Y2067 HydrophobicContact CB-CG 4.33Å; P1944-Y2067 HydrophobicContact CG-CD2 4.47Å; P1944-Y2067 WeakPolarHBondContact O-CB 3.44Å | ||
| 1945 | I | 77.4 | Confident | 70.6 | Confident | 1 Ų | 1 | 54.3 Ų | 54.3 | 1% | 0.005 | 27% | 0.273 | C | S | . | . | S | Bend | trans | -92.7 | -26.4 | -179.9 | -61.4 | 172.7 | 0 | 0 | 0 | 111.7 | E1788 L1789 W1914 A2061 S2066 Y2067 | E1788-I1945 HydrophobicContact CB-CB 4.16Å; E1788-I1945 HydrophobicContact CB-CD1 4.31Å; L1789-I1945 HydrophobicContact CD1-CG2 4.4Å; W1914-I1945 HydrophobicContact CH2-CD1 4.2Å; W1914-I1945 HydrophobicContact CZ2-CD1 3.82Å; I1945-A2061 HydrophobicContact CG2-CB 4.22Å; I1945-S2066 WeakPolarHBondContact O-CA 3.25Å; I1945-Y2067 PolarHBondContact O-N 2.83Å |
| 1946 | V | 70.6 | Confident | 68.8 | Low | 10 Ų | 10 | 52.9 Ų | 52.9 | 6% | 0.061 | 26% | 0.262 | C | S | . | . | B | Isolated β-bridge | trans | -130.6 | 142.9 | -169.2 | -168.6 | 0 | 0 | 0 | 0 | 110.5 | E1788 Y1792 A2061 Y2065 | E1788-V1946 HydrophobicContact CB-CG2 4.29Å; E1788-V1946 WeakPolarHBondContact OE2-CG2 3.09Å; Y1792-V1946 HydrophobicContact CE2-CG1 4.06Å; V1946-A2061 HydrophobicContact CG2-CB 3.97Å; V1946-Y2065 CarbonylContact C-O 3.39Å; V1946-Y2065 WeakPolarHBondContact CA-O 3.17Å; V1946-Y2065 VanDerWaalsContact CG1-O 3.26Å; V1946-Y2065 WeakPolarHBondContact CG1-O 3.04Å |
| 1947 | D | 61.6 | Low | 67.3 | Low | 21 Ų | 21 | 53.3 Ų | 53.3 | 11% | 0.112 | 27% | 0.266 | C | S | . | . | P | Polyproline II helix | trans | -67.3 | 141.2 | 168.7 | -84.1 | -0.2 | 0 | 0 | 0 | 110.2 | Y2065 Y2067 R2069 | D1947-Y2065 PolarHBondContact N-O 2.98Å; D1947-Y2067 WeakPolarHBondContact OD1-CA 3.39Å; D1947-R2069 IonicContact OD2-CZ 3.33Å; D1947-R2069 IonicContact OD2-NE 3.75Å; D1947-R2069 PolarHBondContact OD2-NE 2.82Å; D1947-R2069 IonicContact OD2-NH2 3.71Å; D1947-R2069 PolarHBondContact OD2-NH2 2.98Å |
| 1948 | L | 59.9 | Low | 66 | Low | 92 Ų | 92 | 54.2 Ų | 54.2 | 48% | 0.482 | 27% | 0.272 | S | S | . | . | P | Polyproline II helix | trans | -63.2 | 146.3 | 172.9 | -68.5 | 161.6 | 0 | 0 | 0 | 112.8 | P1950 F1956 | L1948-P1950 WeakPolarHBondContact O-CD 3.39Å; L1948-F1956 HydrophobicContact CD1-CB 3.9Å; L1948-F1956 HydrophobicContact CD1-CD1 3.93Å; L1948-F1956 HydrophobicContact CD1-CG 4.19Å; L1948-F1956 HydrophobicContact CD2-CB 4.47Å; L1948-F1956 HydrophobicContact CD2-CG 4.46Å |
| 1949 | R | 56.1 | Low | 65.1 | Low | 80 Ų | 80 | 55.1 Ų | 55.1 | 30% | 0.302 | 28% | 0.276 | S | S | . | . | P | Polyproline II helix | trans | -69.7 | 124.4 | 168.2 | -75.8 | -166.6 | -176.1 | -153.1 | 8.1 | 109.3 | E1795 E1807 T1951 V1952 | E1795-R1949 IonicContact OE2-CZ 2.74Å; E1795-R1949 IonicContact OE2-NE 2.84Å; E1795-R1949 IonicContact OE2-NH2 3.64Å; E1795-R1949 PolarHBondContact OE2-NH2 2.94Å; E1807-R1949 IonicContact OE1-CZ 3.88Å; E1807-R1949 IonicContact OE1-NH1 2.62Å; E1807-R1949 PolarHBondContact OE1-NH1 3.07Å; E1807-R1949 IonicContact OE1-NH2 2.7Å; R1949-T1951 PolarHBondContact O-N 3.07Å; R1949-V1952 PolarHBondContact O-N 2.99Å |
| 1950 | P | 50.8 | Low | 64.7 | Low | 127 Ų | 127 | 55.1 Ų | 55.1 | 83% | 0.825 | 28% | 0.276 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -64.9 | 3.5 | 179.4 | -23.6 | 34.7 | 0 | 0 | 0 | 116.7 | L1948 | L1948-P1950 WeakPolarHBondContact O-CD 3.39Š|
| 1951 | T | 46.5 | Very low | 64.5 | Low | 110 Ų | 110 | 55 Ų | 55 | 68% | 0.675 | 28% | 0.276 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -95.7 | -13.1 | -177.8 | 51.4 | 0 | 0 | 0 | 0 | 113.5 | R1949 | R1949-T1951 PolarHBondContact O-N 3.07Š|
| 1952 | V | 47.3 | Very low | 64.3 | Low | 50 Ų | 50 | 55 Ų | 55 | 30% | 0.303 | 28% | 0.276 | S | S | . | . | trans | -87.7 | 122.7 | 175.1 | -177.5 | 0 | 0 | 0 | 0 | 107.9 | V1811 R1949 E1954 | V1811-V1952 HydrophobicContact CG1-CG1 4.25Å; R1949-V1952 PolarHBondContact O-N 2.99Å; V1952-E1954 HydrophobicContact CG1-CB 4.16Å | ||
| 1953 | R | 43.3 | Very low | 64.5 | Low | 254 Ų | 254 | 55.1 Ų | 55.1 | 96% | 0.958 | 28% | 0.276 | S | S | * | . | trans | -81.7 | -9.9 | -179.4 | -84.9 | -169.5 | 173.3 | -157.2 | -1.7 | 114.2 | ||||
| 1954 | E | 46.8 | Very low | 64.8 | Low | 99 Ų | 99 | 55.1 Ų | 55.1 | 46% | 0.463 | 28% | 0.276 | S | S | . | . | S | Bend | trans | -73.6 | 128.6 | -176.6 | -63.4 | -177.2 | 132.1 | 0 | 0 | 110.8 | K1765 V1952 F1956 | K1765-E1954 IonicContact NZ-OE1 2.61Å; K1765-E1954 PolarHBondContact NZ-OE1 3.05Å; K1765-E1954 IonicContact NZ-OE2 2.73Å; K1765-E1954 PolarHBondContact NZ-OE2 2.88Å; V1952-E1954 HydrophobicContact CG1-CB 4.16Å; E1954-F1956 PolarHBondContact O-N 3.49Å |
| 1955 | M | 45.1 | Very low | 65.2 | Low | 143 Ų | 143 | 54.7 Ų | 54.7 | 70% | 0.704 | 27% | 0.274 | S | S | * | . | trans | -82 | 76.4 | -165.5 | -170.1 | 174.6 | -179.4 | 0 | 0 | 112.5 | ||||
| 1956 | F | 46.8 | Very low | 65.5 | Low | 68 Ų | 68 | 57.2 Ų | 57.2 | 30% | 0.298 | 29% | 0.285 | S | S | . | . | trans | -75.3 | 129.3 | 172.1 | -171.5 | -78.3 | 0 | 0 | 0 | 110.9 | L1948 E1954 P1958 | L1948-F1956 HydrophobicContact CD1-CB 3.9Å; L1948-F1956 HydrophobicContact CD1-CD1 3.93Å; L1948-F1956 HydrophobicContact CD1-CG 4.19Å; L1948-F1956 HydrophobicContact CD2-CB 4.47Å; L1948-F1956 HydrophobicContact CD2-CG 4.46Å; E1954-F1956 PolarHBondContact O-N 3.49Å; F1956-P1958 HydrophobicContact CD1-CB 4.4Å; F1956-P1958 HydrophobicContact CE1-CB 4.03Å | ||
| 1957 | V | 53.2 | Low | 65.9 | Low | 53 Ų | 53 | 66.6 Ų | 66.6 | 32% | 0.321 | 32% | 0.319 | S | S | . | . | trans | -111.1 | 115.6 | 173.9 | -167 | 0 | 0 | 0 | 0 | 109.9 | D1959 | V1957-D1959 PolarHBondContact O-N 3.44Š| ||
| 1958 | P | 61.2 | Low | 66.4 | Low | 20 Ų | 20 | 65.7 Ų | 65.7 | 13% | 0.13 | 32% | 0.315 | C | S | . | . | trans | -82.1 | 98.7 | -174.6 | 31.5 | -34 | 0 | 0 | 0 | 112 | P1944 F1956 F1960 H1975 Y2067 | P1944-P1958 HydrophobicContact CG-CB 3.83Å; F1956-P1958 HydrophobicContact CD1-CB 4.4Å; F1956-P1958 HydrophobicContact CE1-CB 4.03Å; P1958-F1960 WeakPolarHBondContact O-CD1 3.41Å; P1958-H1975 PolarHBondContact O-ND1 3.08Å; P1958-Y2067 HydrophobicContact CB-CE2 4.14Å; P1958-Y2067 HydrophobicContact CG-CE2 4.14Å; P1958-Y2067 WeakPolarHBondContact CG-OH 3.47Å | ||
| 1959 | D | 72.4 | Confident | 67.3 | Low | 18 Ų | 18 | 67.1 Ų | 67.1 | 10% | 0.096 | 31% | 0.314 | C | S | . | . | trans | -69.9 | 134 | 166.3 | -81 | 5.3 | 0 | 0 | 0 | 111 | V1957 H1975 F1976 G1977 L2047 N2048 | V1957-D1959 PolarHBondContact O-N 3.44Å; D1959-H1975 WeakPolarHBondContact CA-O 3.34Å; D1959-H1975 IonicContact OD1-ND1 3.66Å; D1959-F1976 WeakPolarHBondContact OD1-CA 3.33Å; D1959-G1977 PolarHBondContact OD1-N 2.84Å; D1959-L2047 HydrophobicContact CB-CD1 4.11Å; D1959-N2048 PolarHBondContact OD2-N 2.94Å | ||
| 1960 | F | 83.3 | Confident | 68.7 | Low | 1 Ų | 1 | 63.3 Ų | 63.3 | 0% | 0.004 | 30% | 0.3 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -153 | 151.3 | 178.5 | 68.9 | -99.5 | 0 | 0 | 0 | 113 | Y1941 N1942 P1958 N1973 A1974 H1975 P1980 Y2067 D2070 L2071 | Y1941-F1960 HydrophobicContact CE2-CB 4.12Å; Y1941-F1960 HydrophobicContact CE2-CD2 4.26Å; Y1941-F1960 HydrophobicContact CE2-CG 4.41Å; N1942-F1960 CarbonylContact O-C 3.48Å; N1942-F1960 WeakPolarHBondContact O-CA 3.2Å; N1942-F1960 WeakPolarHBondContact O-CB 3.49Å; P1958-F1960 WeakPolarHBondContact O-CD1 3.41Å; F1960-N1973 HydrophobicContact CE2-CB 4.11Å; F1960-A1974 CarbonylContact O-C 3.44Å; F1960-A1974 VanDerWaalsContact O-CA 3.32Å; F1960-A1974 WeakPolarHBondContact O-CA 3.14Å; F1960-H1975 HydrophobicContact CD1-CB 3.55Å; F1960-H1975 HydrophobicContact CD2-CB 4.47Å; F1960-H1975 HydrophobicContact CE1-CB 3.54Å; F1960-H1975 AromaticContact CE1-CD2 3.86Å; F1960-H1975 AromaticContact CE1-CG 3.92Å; F1960-H1975 HydrophobicContact CE2-CB 4.45Å; F1960-H1975 HydrophobicContact CG-CB 4.04Å; F1960-H1975 HydrophobicContact CZ-CB 4.02Å; F1960-H1975 PolarHBondContact N-O 3.07Å; F1960-H1975 PolarHBondContact O-N 3.25Å; F1960-P1980 HydrophobicContact CZ-CB 4.38Å; F1960-Y2067 HydrophobicContact CD1-CE1 4.42Å; F1960-Y2067 HydrophobicContact CE1-CE1 4.33Å; F1960-D2070 HydrophobicContact CZ-CB 4.49Å; F1960-L2071 HydrophobicContact CE2-CD2 4.23Å |
| 1961 | L | 88.2 | Confident | 70.4 | Confident | 0 Ų | 0 | 58 Ų | 58 | 0% | 0 | 26% | 0.264 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.4 | 130.2 | 165.8 | 179.8 | 64.7 | 0 | 0 | 0 | 109.5 | I1918 W1924 L1940 Y1941 N1942 V1972 A1974 L2002 L2047 | I1918-L1961 HydrophobicContact CD1-CD2 3.66Å; W1924-L1961 HydrophobicContact CH2-CD1 4.1Å; W1924-L1961 HydrophobicContact CH2-CD2 3.6Å; W1924-L1961 HydrophobicContact CH2-CG 4.45Å; W1924-L1961 HydrophobicContact CZ2-CD2 4.4Å; W1924-L1961 HydrophobicContact CZ3-CD2 4.14Å; L1940-L1961 HydrophobicContact CD2-CD2 3.83Å; L1940-L1961 HydrophobicContact CD2-CG 4.05Å; Y1941-L1961 CarbonylContact C-O 3.6Å; Y1941-L1961 WeakPolarHBondContact CA-O 3.15Å; Y1941-L1961 WeakPolarHBondContact CD2-O 3.15Å; N1942-L1961 HydrophobicContact CB-CB 4.44Å; N1942-L1961 PolarHBondContact N-O 2.98Å; N1942-L1961 PolarHBondContact O-N 2.73Å; L1961-V1972 HydrophobicContact CD1-CG1 4.32Å; L1961-A1974 HydrophobicContact CD1-CB 4.1Å; L1961-L2002 HydrophobicContact CD1-CD1 4.15Å; L1961-L2002 HydrophobicContact CD2-CD1 4.1Å; L1961-L2047 HydrophobicContact CB-CD2 4.12Å |
| 1962 | Y | 88.8 | Confident | 72.4 | Confident | 0 Ų | 0 | 52.8 Ų | 52.8 | 0% | 0 | 23% | 0.232 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -135.8 | 118 | -177.6 | 166.9 | -94.4 | 0 | 0 | 0 | 110.1 | V1938 Y1941 A1964 I1971 V1972 N1973 L2071 N2072 T2073 | V1938-Y1962 HydrophobicContact CG2-CE2 4.05Å; Y1941-Y1962 AromaticContact CD2-CD2 3.99Å; Y1941-Y1962 HydrophobicContact CD2-CD2 3.99Å; Y1941-Y1962 HydrophobicContact CD2-CG 4.46Å; Y1962-A1964 HydrophobicContact CD1-CB 4.5Å; Y1962-A1964 HydrophobicContact CE1-CB 3.72Å; Y1962-A1964 HydrophobicContact CE2-CB 3.84Å; Y1962-A1964 VanDerWaalsContact OH-CB 3.24Å; Y1962-A1964 WeakPolarHBondContact OH-CB 3.38Å; Y1962-I1971 HydrophobicContact CE1-CG2 4.38Å; Y1962-V1972 CarbonylContact O-C 3.54Å; Y1962-V1972 WeakPolarHBondContact O-CA 3.14Å; Y1962-N1973 HydrophobicContact CD1-CB 4Å; Y1962-N1973 PolarHBondContact N-O 3.18Å; Y1962-N1973 PolarHBondContact O-N 3.06Å; Y1962-L2071 HydrophobicContact CD2-CD1 4.46Å; Y1962-L2071 HydrophobicContact CD2-CD2 3.76Å; Y1962-L2071 HydrophobicContact CE2-CB 4.16Å; Y1962-L2071 HydrophobicContact CE2-CD2 4.15Å; Y1962-L2071 HydrophobicContact CG-CD2 3.98Å; Y1962-N2072 PolarHBondContact OH-N 3.08Å; Y1962-T2073 PolarHBondContact OH-N 3.49Å; Y1962-T2073 PolarHBondContact OH-O 2.87Å |
| 1963 | V | 92.2 | Very high | 74.2 | Confident | 1 Ų | 1 | 50.6 Ų | 50.6 | 1% | 0.006 | 22% | 0.219 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.9 | 118.4 | 176.4 | -172.8 | 0 | 0 | 0 | 0 | 108.1 | I1939 L1940 L1970 V1972 L2002 | I1939-V1963 HydrophobicContact CB-CB 4.49Å; I1939-V1963 HydrophobicContact CB-CG1 4.23Å; I1939-V1963 WeakPolarHBondContact CB-O 3.45Å; I1939-V1963 HydrophobicContact CD1-CG1 4.26Å; I1939-V1963 HydrophobicContact CG2-CG1 4.48Å; I1939-V1963 PolarHBondContact N-O 3.21Å; L1940-V1963 HydrophobicContact CB-CB 4.07Å; L1940-V1963 HydrophobicContact CB-CG2 4.19Å; L1940-V1963 HydrophobicContact CD2-CG2 4.2Å; L1940-V1963 PolarHBondContact N-O 2.73Å; L1940-V1963 VanDerWaalsContact N-O 3.11Å; L1940-V1963 PolarHBondContact O-N 2.79Å; V1963-L1970 HydrophobicContact CG1-CD1 3.8Å; V1963-V1972 HydrophobicContact CG1-CG2 4.34Å; V1963-V1972 HydrophobicContact CG2-CG1 4.42Å; V1963-L2002 HydrophobicContact CG2-CD1 3.79Å |
| 1964 | A | 90.7 | Very high | 76.1 | Confident | 0 Ų | 0 | 38.5 Ų | 38.5 | 0% | 0 | 17% | 0.173 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -149.8 | 155.4 | -177.1 | 0 | 0 | 0 | 0 | 0 | 113.4 | G1937 V1938 Y1962 I1971 T2073 | G1937-A1964 WeakPolarHBondContact O-CA 3.46Å; V1938-A1964 HydrophobicContact CG2-CB 4.37Å; Y1962-A1964 HydrophobicContact CD1-CB 4.5Å; Y1962-A1964 HydrophobicContact CE1-CB 3.72Å; Y1962-A1964 HydrophobicContact CE2-CB 3.84Å; Y1962-A1964 VanDerWaalsContact OH-CB 3.24Å; Y1962-A1964 WeakPolarHBondContact OH-CB 3.38Å; A1964-I1971 PolarHBondContact N-O 3.42Å; A1964-I1971 PolarHBondContact O-N 2.83Å; A1964-T2073 HydrophobicContact CB-CG2 4.19Å |
| 1965 | L | 87.8 | Confident | 77.4 | Confident | 0 Ų | 0 | 34.7 Ų | 34.7 | 0% | 0 | 16% | 0.155 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -87.7 | 133 | 166.7 | -162.4 | 77.7 | 0 | 0 | 0 | 110.1 | T1932 S1934 D1936 G1937 R1969 I1992 N1993 | T1932-L1965 HydrophobicContact CG2-CD2 4.24Å; S1934-L1965 WeakPolarHBondContact O-CD2 3.4Å; D1936-L1965 WeakPolarHBondContact CA-O 3.18Å; G1937-L1965 PolarHBondContact N-O 3.32Å; G1937-L1965 PolarHBondContact O-N 3.35Å; L1965-R1969 CarbonylContact C-O 3.5Å; L1965-R1969 WeakPolarHBondContact CA-O 3.46Å; L1965-I1992 HydrophobicContact CD1-CD1 4.01Å; L1965-I1992 HydrophobicContact CD1-CG1 3.48Å; L1965-I1992 VanDerWaalsContact CD1-CG1 3.48Å; L1965-N1993 HydrophobicContact CD2-CB 3.93Å |
| 1966 | K | 83.1 | Confident | 78.6 | Confident | 55 Ų | 55 | 28 Ų | 28 | 24% | 0.239 | 12% | 0.122 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -133.5 | 123.7 | 167.2 | -160.8 | 80.1 | -160.8 | -169.8 | 0 | 111.7 | N1935 D1936 G1968 R1969 I1971 N2072 T2073 | N1935-K1966 CarbonylContact O-C 3.53Å; D1936-K1966 VanDerWaalsContact OD1-CA 3.28Å; D1936-K1966 WeakPolarHBondContact OD1-CA 3.31Å; D1936-K1966 WeakPolarHBondContact OD1-CD 3.18Å; D1936-K1966 WeakPolarHBondContact OD1-CE 3.34Å; D1936-K1966 IonicContact OD1-NZ 2.74Å; K1966-G1968 PolarHBondContact O-N 2.99Å; K1966-R1969 PolarHBondContact N-O 3.25Å; K1966-R1969 PolarHBondContact O-N 3.05Å; K1966-I1971 HydrophobicContact CB-CD1 3.58Å; K1966-I1971 HydrophobicContact CB-CG1 4.31Å; K1966-I1971 HydrophobicContact CG-CD1 4.42Å; K1966-N2072 HydrophobicContact CD-CB 4.5Å; K1966-N2072 WeakPolarHBondContact CD-O 3.22Å; K1966-N2072 WeakPolarHBondContact CE-O 3.26Å; K1966-N2072 PolarHBondContact NZ-O 3.21Å; K1966-T2073 VanDerWaalsContact NZ-CB 3.29Å; K1966-T2073 PolarHBondContact NZ-OG1 3.41Å |
| 1967 | R | 79.5 | Confident | 79 | Confident | 206 Ų | 206 | 25.2 Ų | 25.2 | 78% | 0.777 | 11% | 0.113 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 47.2 | 40.9 | -175.6 | -59 | 173.7 | 179.6 | 162.3 | 0.1 | 113.1 | N1935 D1936 R1969 | N1935-R1967 CarbonylContact O-C 3.4Å; N1935-R1967 WeakPolarHBondContact O-CA 3.32Å; N1935-R1967 PolarHBondContact O-N 2.85Å; D1936-R1967 PolarHBondContact OD1-N 2.66Å; R1967-R1969 VanDerWaalsContact C-N 3.33Å; R1967-R1969 PolarHBondContact O-N 2.79Å |
| 1968 | G | 71.1 | Confident | 79.2 | Confident | 3 Ų | 3 | 23.5 Ų | 23.5 | 3% | 0.031 | 11% | 0.106 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 79.4 | 2.6 | -178.2 | 0 | 0 | 0 | 0 | 0 | 115.5 | N1935 K1966 I1991 | N1935-G1968 PolarHBondContact O-N 3.01Å; K1966-G1968 PolarHBondContact O-N 2.99Å; G1968-I1991 WeakPolarHBondContact O-CA 3.17Å |
| 1969 | R | 78.2 | Confident | 79 | Confident | 122 Ų | 122 | 28.8 Ų | 28.8 | 46% | 0.46 | 13% | 0.129 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.3 | 139.6 | 179.1 | -57.2 | -173.7 | -175.9 | -161.2 | 0.7 | 111.9 | L1965 K1966 R1967 S1985 | L1965-R1969 CarbonylContact C-O 3.5Å; L1965-R1969 WeakPolarHBondContact CA-O 3.46Å; K1966-R1969 PolarHBondContact N-O 3.25Å; K1966-R1969 PolarHBondContact O-N 3.05Å; R1967-R1969 VanDerWaalsContact C-N 3.33Å; R1967-R1969 PolarHBondContact O-N 2.79Å; R1969-S1985 PolarHBondContact NH1-O 2.75Å |
| 1970 | L | 87.3 | Confident | 78.6 | Confident | 0 Ų | 0 | 30 Ų | 30 | 0% | 0 | 14% | 0.138 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -67 | 134.4 | 168.3 | -178.8 | 62.7 | 0 | 0 | 0 | 111.3 | I1939 V1963 V1972 S1985 W1990 I1992 I2000 V2011 V2013 | I1939-L1970 HydrophobicContact CD1-CD1 4.31Å; V1963-L1970 HydrophobicContact CG1-CD1 3.8Å; L1970-V1972 HydrophobicContact CD1-CG2 4.33Å; L1970-V1972 HydrophobicContact CD2-CG2 4.48Å; L1970-V1972 HydrophobicContact CG-CG2 4.25Å; L1970-S1985 PolarHBondContact O-N 3.37Å; L1970-W1990 HydrophobicContact CB-CB 4.48Å; L1970-W1990 HydrophobicContact CB-CE3 4.05Å; L1970-W1990 HydrophobicContact CD2-CE3 4.17Å; L1970-W1990 HydrophobicContact CD2-CZ3 4.43Å; L1970-W1990 HydrophobicContact CG-CE3 4.34Å; L1970-I1992 HydrophobicContact CB-CD1 4.24Å; L1970-I1992 HydrophobicContact CD1-CD1 4.19Å; L1970-I2000 HydrophobicContact CD1-CD1 3.94Å; L1970-I2000 HydrophobicContact CD2-CD1 4.16Å; L1970-I2000 HydrophobicContact CD2-CG1 4.33Å; L1970-I2000 HydrophobicContact CD2-CG2 4.1Å; L1970-V2011 HydrophobicContact CD2-CG1 4.13Å; L1970-V2013 HydrophobicContact CD2-CG2 3.85Å |
| 1971 | I | 86.1 | Confident | 78.2 | Confident | 16 Ų | 16 | 30.2 Ų | 30.2 | 8% | 0.082 | 14% | 0.139 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.5 | 131.9 | 170.2 | -58.8 | -173.2 | 0 | 0 | 0 | 107.5 | Y1962 A1964 K1966 N1973 I1983 N2072 | Y1962-I1971 HydrophobicContact CE1-CG2 4.38Å; A1964-I1971 PolarHBondContact N-O 3.42Å; A1964-I1971 PolarHBondContact O-N 2.83Å; K1966-I1971 HydrophobicContact CB-CD1 3.58Å; K1966-I1971 HydrophobicContact CB-CG1 4.31Å; K1966-I1971 HydrophobicContact CG-CD1 4.42Å; I1971-N1973 VanDerWaalsContact CG2-OD1 3.24Å; I1971-N1973 WeakPolarHBondContact CG2-OD1 3.32Å; I1971-I1983 WeakPolarHBondContact CA-O 3.47Å; I1971-N2072 HydrophobicContact CD1-CB 4.12Å |
| 1972 | V | 88.8 | Confident | 77.6 | Confident | 0 Ų | 0 | 32.5 Ų | 32.5 | 0% | 0 | 16% | 0.155 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.9 | 118.8 | 172 | -175.6 | 0 | 0 | 0 | 0 | 107.7 | L1961 Y1962 V1963 L1970 I1983 L2002 L2009 V2011 | L1961-V1972 HydrophobicContact CD1-CG1 4.32Å; Y1962-V1972 CarbonylContact O-C 3.54Å; Y1962-V1972 WeakPolarHBondContact O-CA 3.14Å; V1963-V1972 HydrophobicContact CG1-CG2 4.34Å; V1963-V1972 HydrophobicContact CG2-CG1 4.42Å; L1970-V1972 HydrophobicContact CD1-CG2 4.33Å; L1970-V1972 HydrophobicContact CD2-CG2 4.48Å; L1970-V1972 HydrophobicContact CG-CG2 4.25Å; V1972-I1983 PolarHBondContact N-O 3.47Å; V1972-I1983 PolarHBondContact O-N 2.98Å; V1972-L2002 HydrophobicContact CG1-CD1 4.41Å; V1972-L2002 HydrophobicContact CG1-CD2 3.98Å; V1972-L2002 HydrophobicContact CG2-CD2 4Å; V1972-L2009 HydrophobicContact CG1-CD2 3.96Å; V1972-V2011 HydrophobicContact CB-CG2 3.96Å; V1972-V2011 HydrophobicContact CG1-CG2 4.19Å; V1972-V2011 HydrophobicContact CG2-CG1 4.03Å; V1972-V2011 HydrophobicContact CG2-CG2 3.85Å |
| 1973 | N | 84.2 | Confident | 77.3 | Confident | 4 Ų | 4 | 32.8 Ų | 32.8 | 2% | 0.021 | 16% | 0.156 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.7 | 127.8 | 172.4 | -57 | -10.2 | 0 | 0 | 0 | 108.2 | F1960 Y1962 I1971 V1981 S1982 N2072 | F1960-N1973 HydrophobicContact CE2-CB 4.11Å; Y1962-N1973 HydrophobicContact CD1-CB 4Å; Y1962-N1973 PolarHBondContact N-O 3.18Å; Y1962-N1973 PolarHBondContact O-N 3.06Å; I1971-N1973 VanDerWaalsContact CG2-OD1 3.24Å; I1971-N1973 WeakPolarHBondContact CG2-OD1 3.32Å; N1973-V1981 WeakPolarHBondContact CA-O 3.27Å; N1973-S1982 WeakPolarHBondContact OD1-CB 3.47Å; N1973-S1982 PolarHBondContact OD1-OG 3.29Å; N1973-N2072 PolarHBondContact ND2-OD1 2.99Å |
| 1974 | A | 82.9 | Confident | 76.5 | Confident | 0 Ų | 0 | 36.5 Ų | 36.5 | 0% | 0 | 18% | 0.182 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.6 | 141.8 | 169.3 | 0 | 0 | 0 | 0 | 0 | 110.3 | F1960 L1961 F1976 P1980 V1981 L2009 | F1960-A1974 CarbonylContact O-C 3.44Å; F1960-A1974 VanDerWaalsContact O-CA 3.32Å; F1960-A1974 WeakPolarHBondContact O-CA 3.14Å; L1961-A1974 HydrophobicContact CD1-CB 4.1Å; A1974-F1976 HydrophobicContact CB-CD2 4.36Å; A1974-F1976 HydrophobicContact CB-CE2 3.56Å; A1974-F1976 HydrophobicContact CB-CZ 3.78Å; A1974-P1980 CarbonylContact O-C 3.47Å; A1974-P1980 WeakPolarHBondContact O-CA 3.28Å; A1974-V1981 PolarHBondContact N-O 2.74Å; A1974-V1981 PolarHBondContact O-N 3.05Å; A1974-L2009 HydrophobicContact CB-CD2 3.84Å |
| 1975 | H | 74.5 | Confident | 75.2 | Confident | 18 Ų | 18 | 36.8 Ų | 36.8 | 8% | 0.083 | 19% | 0.185 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.1 | 122.9 | 179.4 | -165.7 | -71.3 | 0 | 0 | 0 | 109.3 | P1958 D1959 F1960 G1978 P1980 L2047 | P1958-H1975 PolarHBondContact O-ND1 3.08Å; D1959-H1975 WeakPolarHBondContact CA-O 3.34Å; D1959-H1975 IonicContact OD1-ND1 3.66Å; F1960-H1975 HydrophobicContact CD1-CB 3.55Å; F1960-H1975 HydrophobicContact CD2-CB 4.47Å; F1960-H1975 HydrophobicContact CE1-CB 3.54Å; F1960-H1975 AromaticContact CE1-CD2 3.86Å; F1960-H1975 AromaticContact CE1-CG 3.92Å; F1960-H1975 HydrophobicContact CE2-CB 4.45Å; F1960-H1975 HydrophobicContact CG-CB 4.04Å; F1960-H1975 HydrophobicContact CZ-CB 4.02Å; F1960-H1975 PolarHBondContact N-O 3.07Å; F1960-H1975 PolarHBondContact O-N 3.25Å; H1975-G1978 PolarHBondContact NE2-O 2.84Å; H1975-P1980 HydrophobicContact CB-CB 4.47Å; H1975-L2047 VanDerWaalsContact O-CD1 3.26Å; H1975-L2047 WeakPolarHBondContact O-CD1 3.33Å |
| 1976 | F | 69.5 | Low | 73.8 | Confident | 3 Ų | 3 | 42 Ų | 42 | 1% | 0.013 | 22% | 0.221 | C | C | . | . | trans | -127 | 89.3 | -178.9 | -47.1 | -97.5 | 0 | 0 | 0 | 108.3 | D1959 A1974 G1978 V1981 V2004 A2040 N2044 L2047 | D1959-F1976 WeakPolarHBondContact OD1-CA 3.33Å; A1974-F1976 HydrophobicContact CB-CD2 4.36Å; A1974-F1976 HydrophobicContact CB-CE2 3.56Å; A1974-F1976 HydrophobicContact CB-CZ 3.78Å; F1976-G1978 PolarHBondContact O-N 3.32Å; F1976-V1981 HydrophobicContact CD2-CG2 4.22Å; F1976-V1981 HydrophobicContact CE2-CB 4.44Å; F1976-V1981 HydrophobicContact CE2-CG2 4.12Å; F1976-V2004 HydrophobicContact CE1-CG1 4.23Å; F1976-V2004 HydrophobicContact CZ-CG1 4.36Å; F1976-V2004 HydrophobicContact CZ-CG2 4.15Å; F1976-A2040 HydrophobicContact CD2-CB 4.29Å; F1976-N2044 HydrophobicContact CB-CB 4.49Å; F1976-L2047 HydrophobicContact CD1-CB 3.95Å; F1976-L2047 HydrophobicContact CD1-CD1 4.27Å; F1976-L2047 HydrophobicContact CE1-CB 3.92Å; F1976-L2047 HydrophobicContact CE1-CD1 4.38Å | ||
| 1977 | G | 56.6 | Low | 72.6 | Confident | 10 Ų | 10 | 40.9 Ų | 40.9 | 10% | 0.103 | 22% | 0.22 | C | C | . | . | S | Bend | trans | 56.2 | 12.4 | 172.1 | 0 | 0 | 0 | 0 | 0 | 118.4 | R1453 D1959 N2044 | R1453-G1977 PolarHBondContact NH2-O 2.82Å; D1959-G1977 PolarHBondContact OD1-N 2.84Å; G1977-N2044 PolarHBondContact N-ND2 2.7Å |
| 1978 | G | 57.1 | Low | 71.5 | Confident | 17 Ų | 17 | 39.6 Ų | 39.6 | 18% | 0.175 | 22% | 0.22 | C | C | . | . | S | Bend | trans | -157.4 | -112.7 | -160.2 | 0 | 0 | 0 | 0 | 0 | 116.4 | H1975 F1976 L2042 | H1975-G1978 PolarHBondContact NE2-O 2.84Å; F1976-G1978 PolarHBondContact O-N 3.32Å; G1978-L2042 VanDerWaalsContact CA-CD1 3.42Å |
| 1979 | Q | 57.7 | Low | 71 | Confident | 130 Ų | 130 | 41 Ų | 41 | 61% | 0.607 | 23% | 0.229 | S | C | * | . | S | Bend | trans | -111.6 | 138.4 | 174.1 | -78.9 | -72.1 | -59.9 | 0 | 0 | 109.5 | V1981 | Q1979-V1981 PolarHBondContact O-N 2.82Š|
| 1980 | P | 62.6 | Low | 70.4 | Confident | 45 Ų | 45 | 35.2 Ų | 35.2 | 29% | 0.292 | 21% | 0.207 | S | C | . | . | trans | -69.2 | 121.1 | -175.2 | 23.2 | -30.6 | 0 | 0 | 0 | 113.1 | F1960 A1974 H1975 S1982 | F1960-P1980 HydrophobicContact CZ-CB 4.38Å; A1974-P1980 CarbonylContact O-C 3.47Å; A1974-P1980 WeakPolarHBondContact O-CA 3.28Å; H1975-P1980 HydrophobicContact CB-CB 4.47Å; P1980-S1982 VanDerWaalsContact C-N 3.3Å; P1980-S1982 PolarHBondContact O-N 2.59Å; P1980-S1982 PolarHBondContact O-OG 2.84Å | ||
| 1981 | V | 75.6 | Confident | 69.8 | Low | 4 Ų | 4 | 38.7 Ų | 38.7 | 2% | 0.024 | 23% | 0.225 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -67 | 88.1 | 168.8 | -176.7 | 0 | 0 | 0 | 0 | 109.1 | N1973 A1974 F1976 Q1979 I1983 L2009 K2038 A2040 | N1973-V1981 WeakPolarHBondContact CA-O 3.27Å; A1974-V1981 PolarHBondContact N-O 2.74Å; A1974-V1981 PolarHBondContact O-N 3.05Å; F1976-V1981 HydrophobicContact CD2-CG2 4.22Å; F1976-V1981 HydrophobicContact CE2-CB 4.44Å; F1976-V1981 HydrophobicContact CE2-CG2 4.12Å; Q1979-V1981 PolarHBondContact O-N 2.82Å; V1981-I1983 HydrophobicContact CG1-CD1 4.4Å; V1981-I1983 HydrophobicContact CG1-CG1 4.3Å; V1981-L2009 HydrophobicContact CG1-CB 4.19Å; V1981-L2009 HydrophobicContact CG1-CD2 4.14Å; V1981-K2038 HydrophobicContact CG1-CB 3.97Å; V1981-K2038 HydrophobicContact CG1-CD 3.97Å; V1981-K2038 HydrophobicContact CG1-CG 3.91Å; V1981-A2040 VanDerWaalsContact CG2-CA 3.45Å; V1981-A2040 HydrophobicContact CG2-CB 3.78Å |
| 1982 | S | 75.6 | Confident | 69.6 | Low | 49 Ų | 49 | 38 Ų | 38 | 34% | 0.343 | 22% | 0.222 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -89 | 119.2 | 174.3 | -54.4 | 0 | 0 | 0 | 0 | 110.3 | N1973 P1980 K2038 | N1973-S1982 WeakPolarHBondContact OD1-CB 3.47Å; N1973-S1982 PolarHBondContact OD1-OG 3.29Å; P1980-S1982 VanDerWaalsContact C-N 3.3Å; P1980-S1982 PolarHBondContact O-N 2.59Å; P1980-S1982 PolarHBondContact O-OG 2.84Å; S1982-K2038 PolarHBondContact O-NZ 3.5Å |
| 1983 | I | 83.4 | Confident | 69.4 | Low | 5 Ų | 5 | 39.1 Ų | 39.1 | 3% | 0.026 | 23% | 0.228 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.6 | 128.3 | 173.4 | -63 | 172.3 | 0 | 0 | 0 | 107.6 | I1971 V1972 V1981 W1990 L2009 V2011 V2036 K2038 | I1971-I1983 WeakPolarHBondContact CA-O 3.47Å; V1972-I1983 PolarHBondContact N-O 3.47Å; V1972-I1983 PolarHBondContact O-N 2.98Å; V1981-I1983 HydrophobicContact CG1-CD1 4.4Å; V1981-I1983 HydrophobicContact CG1-CG1 4.3Å; I1983-W1990 HydrophobicContact CG2-CH2 3.89Å; I1983-W1990 HydrophobicContact CG2-CZ3 3.98Å; I1983-L2009 HydrophobicContact CD1-CB 4.24Å; I1983-L2009 HydrophobicContact CD1-CD2 3.72Å; I1983-L2009 HydrophobicContact CD1-CG 3.78Å; I1983-L2009 WeakPolarHBondContact CD1-O 3.33Å; I1983-V2011 HydrophobicContact CB-CG2 4.34Å; I1983-V2011 HydrophobicContact CD1-CG2 3.7Å; I1983-V2011 HydrophobicContact CG2-CB 4.45Å; I1983-V2011 HydrophobicContact CG2-CG2 4.06Å; I1983-V2036 HydrophobicContact CG2-CB 4.02Å; I1983-V2036 HydrophobicContact CG2-CG1 3.87Å; I1983-K2038 HydrophobicContact CD1-CB 3.83Å; I1983-K2038 HydrophobicContact CG1-CB 3.83Å; I1983-K2038 HydrophobicContact CG1-CD 4.01Å |
| 1984 | S | 74.2 | Confident | 69.3 | Low | 79 Ų | 79 | 42.2 Ų | 42.2 | 55% | 0.552 | 24% | 0.244 | S | C | * | . | E | Extended strand (participates in β ladder) | trans | -149 | 142.9 | 178 | 67.7 | 0 | 0 | 0 | 0 | 110.6 | S1986 | S1984-S1986 PolarHBondContact O-N 2.78Å |
| 1985 | S | 62.7 | Low | 69.4 | Low | 7 Ų | 7 | 42.2 Ų | 42.2 | 5% | 0.049 | 24% | 0.244 | C | C | . | . | trans | -72.1 | 128.2 | -173.1 | -154.1 | 0 | 0 | 0 | 0 | 113.4 | R1969 L1970 S1987 W1990 | R1969-S1985 PolarHBondContact NH1-O 2.75Å; L1970-S1985 PolarHBondContact O-N 3.37Å; S1985-S1987 PolarHBondContact OG-N 3.11Å; S1985-S1987 PolarHBondContact OG-O 2.8Å; S1985-W1990 WeakPolarHBondContact OG-CB 3.49Å; S1985-W1990 VanDerWaalsContact OG-CG 3.24Å | ||
| 1986 | S | 60 | Low | 70 | Confident | 110 Ų | 110 | 44.8 Ų | 44.8 | 77% | 0.769 | 26% | 0.256 | S | S | * | . | trans | -76.9 | -28.1 | 159.9 | 57.8 | 0 | 0 | 0 | 0 | 112 | S1984 | S1984-S1986 PolarHBondContact O-N 2.78Š| ||
| 1987 | S | 57.5 | Low | 70.8 | Confident | 30 Ų | 30 | 46.5 Ų | 46.5 | 21% | 0.21 | 26% | 0.263 | C | S | . | . | S | Bend | trans | -83.2 | 163.8 | -170.4 | -171.9 | 0 | 0 | 0 | 0 | 113.7 | S1985 S1989 | S1985-S1987 PolarHBondContact OG-N 3.11Å; S1985-S1987 PolarHBondContact OG-O 2.8Å; S1987-S1989 VanDerWaalsContact C-N 3.33Å; S1987-S1989 VanDerWaalsContact CB-OG 3.32Å; S1987-S1989 WeakPolarHBondContact CB-OG 3.17Å; S1987-S1989 PolarHBondContact OG-N 3.14Å; S1987-S1989 PolarHBondContact OG-OG 3.43Å |
| 1988 | K | 56.6 | Low | 72.3 | Confident | 180 Ų | 180 | 46.9 Ų | 46.9 | 78% | 0.783 | 26% | 0.262 | S | S | * | . | S | Bend | trans | -81.1 | -9.9 | 167.8 | -70.1 | -174.8 | 177.9 | -179.5 | 0 | 113.6 | I1991 | K1988-I1991 HydrophobicContact CB-CD1 4.19Å; K1988-I1991 WeakPolarHBondContact O-CD1 3.18Å; K1988-I1991 VanDerWaalsContact O-CG1 3.26Å; K1988-I1991 WeakPolarHBondContact O-CG1 3.04Å |
| 1989 | S | 59.3 | Low | 73.8 | Confident | 31 Ų | 31 | 47.3 Ų | 47.3 | 22% | 0.217 | 26% | 0.261 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -78.6 | -18.4 | -176.3 | 40.7 | 0 | 0 | 0 | 0 | 114.4 | S1987 I1991 R2033 | S1987-S1989 VanDerWaalsContact C-N 3.33Å; S1987-S1989 VanDerWaalsContact CB-OG 3.32Å; S1987-S1989 WeakPolarHBondContact CB-OG 3.17Å; S1987-S1989 PolarHBondContact OG-N 3.14Å; S1987-S1989 PolarHBondContact OG-OG 3.43Å; S1989-I1991 VanDerWaalsContact C-N 3.3Å; S1989-I1991 PolarHBondContact O-N 3.37Å; S1989-R2033 WeakPolarHBondContact CB-O 3.42Å; S1989-R2033 PolarHBondContact OG-O 2.98Å |
| 1990 | W | 67.2 | Low | 75.4 | Confident | 1 Ų | 1 | 41.2 Ų | 41.2 | 0% | 0.004 | 23% | 0.233 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -96.9 | 36.1 | 174.9 | -60.7 | 10.9 | 0 | 0 | 0 | 111.9 | L1970 I1983 S1985 I1992 V2011 V2013 R2033 V2036 | L1970-W1990 HydrophobicContact CB-CB 4.48Å; L1970-W1990 HydrophobicContact CB-CE3 4.05Å; L1970-W1990 HydrophobicContact CD2-CE3 4.17Å; L1970-W1990 HydrophobicContact CD2-CZ3 4.43Å; L1970-W1990 HydrophobicContact CG-CE3 4.34Å; I1983-W1990 HydrophobicContact CG2-CH2 3.89Å; I1983-W1990 HydrophobicContact CG2-CZ3 3.98Å; S1985-W1990 WeakPolarHBondContact OG-CB 3.49Å; S1985-W1990 VanDerWaalsContact OG-CG 3.24Å; W1990-I1992 PolarHBondContact O-N 2.8Å; W1990-V2011 HydrophobicContact CH2-CB 3.93Å; W1990-V2011 HydrophobicContact CH2-CG1 3.72Å; W1990-V2011 HydrophobicContact CZ2-CG1 4.41Å; W1990-V2011 HydrophobicContact CZ3-CG1 4.01Å; W1990-V2013 HydrophobicContact CD2-CG2 3.86Å; W1990-V2013 HydrophobicContact CE3-CG2 4.43Å; W1990-V2013 HydrophobicContact CG-CG2 3.99Å; W1990-V2013 HydrophobicContact CZ2-CG2 4.3Å; W1990-R2033 PolarHBondContact NE1-O 2.8Å; W1990-R2033 VanDerWaalsContact NE1-O 3.12Å; W1990-V2036 HydrophobicContact CH2-CB 3.89Å; W1990-V2036 HydrophobicContact CH2-CG2 3.79Å; W1990-V2036 HydrophobicContact CZ2-CB 4.11Å; W1990-V2036 HydrophobicContact CZ2-CG2 3.67Å |
| 1991 | I | 73.5 | Confident | 76.5 | Confident | 74 Ų | 74 | 39.2 Ų | 39.2 | 38% | 0.379 | 22% | 0.219 | S | C | . | . | B | Isolated β-bridge | trans | -90.8 | 84.5 | 173.4 | -63.1 | 175.2 | 0 | 0 | 0 | 107.5 | G1968 K1988 S1989 N1993 | G1968-I1991 WeakPolarHBondContact O-CA 3.17Å; K1988-I1991 HydrophobicContact CB-CD1 4.19Å; K1988-I1991 WeakPolarHBondContact O-CD1 3.18Å; K1988-I1991 VanDerWaalsContact O-CG1 3.26Å; K1988-I1991 WeakPolarHBondContact O-CG1 3.04Å; S1989-I1991 VanDerWaalsContact C-N 3.3Å; S1989-I1991 PolarHBondContact O-N 3.37Å; I1991-N1993 VanDerWaalsContact C-N 3.27Å; I1991-N1993 VanDerWaalsContact CG2-OD1 3.23Å; I1991-N1993 WeakPolarHBondContact CG2-OD1 3.45Å; I1991-N1993 PolarHBondContact O-N 2.82Å |
| 1992 | I | 83.1 | Confident | 77.2 | Confident | 0 Ų | 0 | 39.1 Ų | 39.1 | 0% | 0 | 22% | 0.218 | C | C | . | . | trans | -90.7 | 24.6 | -172.3 | 64.1 | 168.6 | 0 | 0 | 0 | 113.5 | I1939 L1965 L1970 W1990 H1998 I2000 V2013 | I1939-I1992 HydrophobicContact CD1-CD1 4.15Å; L1965-I1992 HydrophobicContact CD1-CD1 4.01Å; L1965-I1992 HydrophobicContact CD1-CG1 3.48Å; L1965-I1992 VanDerWaalsContact CD1-CG1 3.48Å; L1970-I1992 HydrophobicContact CB-CD1 4.24Å; L1970-I1992 HydrophobicContact CD1-CD1 4.19Å; W1990-I1992 PolarHBondContact O-N 2.8Å; I1992-H1998 VanDerWaalsContact CA-CD2 3.47Å; I1992-H1998 WeakPolarHBondContact CA-CD2 3.4Å; I1992-H1998 HydrophobicContact CB-CB 4.05Å; I1992-H1998 HydrophobicContact CG2-CB 3.88Å; I1992-I2000 HydrophobicContact CD1-CD1 3.81Å; I1992-V2013 HydrophobicContact CG2-CG1 4.17Å | ||
| 1993 | N | 84.6 | Confident | 77.5 | Confident | 25 Ų | 25 | 38.1 Ų | 38.1 | 13% | 0.134 | 21% | 0.208 | C | C | . | . | trans | -123.5 | 27.1 | -177 | 77.4 | -33.9 | 0 | 0 | 0 | 113.8 | T1932 S1934 N1935 L1965 I1991 G1995 | T1932-N1993 HydrophobicContact CG2-CB 4.09Å; T1932-N1993 CarbonylContact O-C 3.55Å; T1932-N1993 WeakPolarHBondContact O-CA 3.42Å; S1934-N1993 WeakPolarHBondContact O-CB 3.27Å; S1934-N1993 PolarHBondContact O-ND2 2.83Å; N1935-N1993 PolarHBondContact OD1-ND2 2.67Å; L1965-N1993 HydrophobicContact CD2-CB 3.93Å; I1991-N1993 VanDerWaalsContact C-N 3.27Å; I1991-N1993 VanDerWaalsContact CG2-OD1 3.23Å; I1991-N1993 WeakPolarHBondContact CG2-OD1 3.45Å; I1991-N1993 PolarHBondContact O-N 2.82Å; N1993-G1995 VanDerWaalsContact C-N 3.35Å | ||
| 1994 | D | 81.3 | Confident | 77.3 | Confident | 68 Ų | 68 | 38.1 Ų | 38.1 | 36% | 0.364 | 21% | 0.208 | S | C | . | . | S | Bend | trans | -80.2 | -17.1 | 176.1 | 75.8 | -14.9 | 0 | 0 | 0 | 113.2 | H1996 H1998 H2135 | D1994-H1996 VanDerWaalsContact CG-ND1 3.3Å; D1994-H1996 IonicContact OD1-CG 3.31Å; D1994-H1996 PolarHBondContact OD1-N 2.94Å; D1994-H1996 IonicContact OD1-ND1 3.24Å; D1994-H1996 PolarHBondContact OD1-ND1 2.94Å; D1994-H1996 IonicContact OD2-CE1 3.73Å; D1994-H1996 IonicContact OD2-CG 2.83Å; D1994-H1996 IonicContact OD2-ND1 3.5Å; D1994-H1996 PolarHBondContact OD2-ND1 3.03Å; D1994-H1998 IonicContact OD1-NE2 2.71Å; D1994-H1998 PolarHBondContact OD1-NE2 2.94Å; D1994-H2135 PolarHBondContact O-NE2 2.71Å |
| 1995 | G | 84.2 | Confident | 77 | Confident | 0 Ų | 0 | 37.6 Ų | 37.6 | 0% | 0 | 20% | 0.199 | C | C | . | . | S | Bend | trans | 101 | 13.8 | -179 | 0 | 0 | 0 | 0 | 0 | 116.2 | L1931 T1932 N1993 F2134 | L1931-G1995 WeakPolarHBondContact CD1-O 3.28Å; T1932-G1995 PolarHBondContact O-N 3.07Å; N1993-G1995 VanDerWaalsContact C-N 3.35Å; G1995-F2134 WeakPolarHBondContact O-CB 3.33Å; G1995-F2134 PolarHBondContact O-N 2.95Å |
| 1996 | H | 87 | Confident | 77.3 | Confident | 73 Ų | 73 | 37.7 Ų | 37.7 | 34% | 0.338 | 20% | 0.201 | S | C | . | . | S | Bend | trans | -93.5 | 171.4 | 163.9 | -60.7 | 103.9 | 0 | 0 | 0 | 111.7 | L1931 D1994 D2133 H2135 | L1931-H1996 VanDerWaalsContact CD1-C 3.47Å; L1931-H1996 VanDerWaalsContact CD1-O 3.29Å; L1931-H1996 WeakPolarHBondContact CD1-O 3.23Å; D1994-H1996 VanDerWaalsContact CG-ND1 3.3Å; D1994-H1996 IonicContact OD1-CG 3.31Å; D1994-H1996 PolarHBondContact OD1-N 2.94Å; D1994-H1996 IonicContact OD1-ND1 3.24Å; D1994-H1996 PolarHBondContact OD1-ND1 2.94Å; D1994-H1996 IonicContact OD2-CE1 3.73Å; D1994-H1996 IonicContact OD2-CG 2.83Å; D1994-H1996 IonicContact OD2-ND1 3.5Å; D1994-H1996 PolarHBondContact OD2-ND1 3.03Å; H1996-D2133 IonicContact CD2-OD2 2.7Å; H1996-H2135 AromaticContact CD2-CD2 3.6Å; H1996-H2135 AromaticContact CE1-CD2 3.39Å; H1996-H2135 PolarHBondContact CE1-CD2 3.39Å; H1996-H2135 AromaticContact CE1-NE2 3.75Å; H1996-H2135 AromaticContact CG-CD2 3.96Å; H1996-H2135 AromaticContact ND1-CD2 3.84Å; H1996-H2135 AromaticContact NE2-CD2 3.21Å; H1996-H2135 PolarHBondContact NE2-CD2 3.04Å; H1996-H2135 AromaticContact NE2-CG 3.7Å |
| 1997 | W | 87.5 | Confident | 77.5 | Confident | 38 Ų | 38 | 37.1 Ų | 37.1 | 14% | 0.144 | 18% | 0.182 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -80.2 | 120.4 | 167.3 | -72.8 | 101 | 0 | 0 | 0 | 110 | V1904 E1929 V1930 L1931 C2080 R2082 A2132 | V1904-W1997 HydrophobicContact CG1-CH2 4.41Å; E1929-W1997 HydrophobicContact CB-CE3 4.02Å; V1930-W1997 WeakPolarHBondContact O-CA 3.25Å; L1931-W1997 HydrophobicContact CB-CD2 3.69Å; L1931-W1997 HydrophobicContact CB-CE3 3.55Å; L1931-W1997 HydrophobicContact CB-CG 4.43Å; L1931-W1997 HydrophobicContact CB-CH2 3.71Å; L1931-W1997 HydrophobicContact CB-CZ2 3.82Å; L1931-W1997 HydrophobicContact CB-CZ3 3.55Å; L1931-W1997 HydrophobicContact CD2-CD2 4.44Å; L1931-W1997 HydrophobicContact CD2-CH2 4.24Å; L1931-W1997 HydrophobicContact CD2-CZ2 3.63Å; L1931-W1997 HydrophobicContact CG-CD2 4.44Å; L1931-W1997 HydrophobicContact CG-CZ2 4.33Å; W1997-C2080 HydrophobicContact CH2-CB 3.62Å; W1997-C2080 HydrophobicContact CZ2-CB 4.41Å; W1997-C2080 HydrophobicContact CZ3-CB 4.31Å; W1997-R2082 HydrophobicContact CD2-CG 4.39Å; W1997-R2082 HydrophobicContact CE3-CG 3.74Å; W1997-R2082 HydrophobicContact CH2-CB 3.95Å; W1997-R2082 HydrophobicContact CH2-CG 3.81Å; W1997-R2082 HydrophobicContact CZ2-CG 4.44Å; W1997-R2082 HydrophobicContact CZ3-CB 3.87Å; W1997-R2082 HydrophobicContact CZ3-CG 3.43Å; W1997-R2082 VanDerWaalsContact CZ3-CG 3.43Å; W1997-A2132 PolarHBondContact NE1-O 2.92Å |
| 1998 | H | 88.1 | Confident | 78.2 | Confident | 19 Ų | 19 | 38.5 Ų | 38.5 | 9% | 0.088 | 19% | 0.189 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.9 | 138.2 | 172.1 | -69.9 | -82 | 0 | 0 | 0 | 111.1 | E1929 V1930 I1992 D1994 D2014 | E1929-H1998 CarbonylContact C-O 3.51Å; E1929-H1998 VanDerWaalsContact CA-O 3.24Å; E1929-H1998 WeakPolarHBondContact CA-O 3.34Å; V1930-H1998 PolarHBondContact N-O 2.96Å; V1930-H1998 PolarHBondContact O-N 3.46Å; I1992-H1998 VanDerWaalsContact CA-CD2 3.47Å; I1992-H1998 WeakPolarHBondContact CA-CD2 3.4Å; I1992-H1998 HydrophobicContact CB-CB 4.05Å; I1992-H1998 HydrophobicContact CG2-CB 3.88Å; D1994-H1998 IonicContact OD1-NE2 2.71Å; D1994-H1998 PolarHBondContact OD1-NE2 2.94Å; H1998-D2014 VanDerWaalsContact CA-OD1 3.24Å; H1998-D2014 WeakPolarHBondContact CA-OD1 3.21Å; H1998-D2014 IonicContact CE1-OD2 3.77Å; H1998-D2014 IonicContact CG-OD1 3.66Å; H1998-D2014 IonicContact CG-OD2 2.77Å; H1998-D2014 IonicContact ND1-OD1 3.71Å; H1998-D2014 IonicContact ND1-OD2 3.97Å; H1998-D2014 PolarHBondContact ND1-OD2 2.83Å |
| 1999 | T | 88.7 | Confident | 79.3 | Confident | 26 Ų | 26 | 29.9 Ų | 29.9 | 16% | 0.16 | 15% | 0.152 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -90.3 | 127.8 | 172.8 | -50.3 | 0 | 0 | 0 | 0 | 109.6 | E1929 E2001 V2013 D2014 | E1929-T1999 HydrophobicContact CG-CG2 4.47Å; T1999-E2001 HydrophobicContact CG2-CG 4.16Å; T1999-V2013 WeakPolarHBondContact O-CA 3.48Å; T1999-D2014 PolarHBondContact N-OD1 3.25Å; T1999-D2014 PolarHBondContact O-N 2.94Å |
| 2000 | I | 90 | Very high | 80.5 | Confident | 2 Ų | 2 | 29.7 Ų | 29.7 | 1% | 0.01 | 15% | 0.149 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.4 | 119.4 | 172.2 | -53.6 | 175.1 | 0 | 0 | 0 | 107.2 | L1928 V1930 I1939 L1970 I1992 L2002 | L1928-I2000 HydrophobicContact CD1-CB 4.06Å; L1928-I2000 HydrophobicContact CD1-CD1 4.1Å; L1928-I2000 HydrophobicContact CD1-CG1 4.37Å; L1928-I2000 PolarHBondContact N-O 3.37Å; L1928-I2000 PolarHBondContact O-N 2.9Å; V1930-I2000 HydrophobicContact CG2-CD1 3.94Å; I1939-I2000 HydrophobicContact CD1-CD1 4.13Å; L1970-I2000 HydrophobicContact CD1-CD1 3.94Å; L1970-I2000 HydrophobicContact CD2-CD1 4.16Å; L1970-I2000 HydrophobicContact CD2-CG1 4.33Å; L1970-I2000 HydrophobicContact CD2-CG2 4.1Å; I1992-I2000 HydrophobicContact CD1-CD1 3.81Å; I2000-L2002 HydrophobicContact CG2-CD2 4.32Å |
| 2001 | E | 87.4 | Confident | 81.4 | Confident | 2 Ų | 2 | 29.6 Ų | 29.6 | 1% | 0.009 | 15% | 0.149 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.1 | 131.8 | 170.8 | -63.8 | 179.1 | 125.6 | 0 | 0 | 109.6 | V1926 T1999 F2003 I2012 R2254 R2262 | V1926-E2001 CarbonylContact O-C 3.49Å; V1926-E2001 WeakPolarHBondContact O-CA 3.35Å; T1999-E2001 HydrophobicContact CG2-CG 4.16Å; E2001-F2003 HydrophobicContact CB-CD2 4.3Å; E2001-F2003 HydrophobicContact CB-CE2 3.7Å; E2001-F2003 HydrophobicContact CG-CE2 4.46Å; E2001-I2012 HydrophobicContact CB-CB 4.33Å; E2001-I2012 PolarHBondContact N-O 3.47Å; E2001-I2012 PolarHBondContact O-N 3.02Å; E2001-R2254 IonicContact OE1-CZ 2.71Å; E2001-R2254 IonicContact OE1-NE 2.96Å; E2001-R2254 PolarHBondContact OE1-NE 3.03Å; E2001-R2254 IonicContact OE1-NH2 3.87Å; E2001-R2254 PolarHBondContact OE1-NH2 3.42Å; E2001-R2254 IonicContact OE2-CZ 2.67Å; E2001-R2254 IonicContact OE2-NE 3.78Å; E2001-R2254 IonicContact OE2-NH2 2.84Å; E2001-R2254 PolarHBondContact OE2-NH2 2.72Å; E2001-R2262 IonicContact OE1-NH2 2.7Å |
| 2002 | L | 89 | Confident | 81.9 | Confident | 2 Ų | 2 | 26.1 Ų | 26.1 | 1% | 0.01 | 13% | 0.131 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.7 | 128.2 | 170.7 | -52.8 | -179 | 0 | 0 | 0 | 107.5 | W1924 N1925 V1926 L1961 V1963 V1972 I2000 T2010 V2011 | W1924-L2002 HydrophobicContact CZ3-CB 4.07Å; N1925-L2002 CarbonylContact C-O 3.46Å; N1925-L2002 VanDerWaalsContact CA-O 3.24Å; N1925-L2002 WeakPolarHBondContact CA-O 3.32Å; V1926-L2002 HydrophobicContact CB-CB 4.33Å; V1926-L2002 HydrophobicContact CB-CD1 4.42Å; V1926-L2002 PolarHBondContact N-O 2.64Å; V1926-L2002 PolarHBondContact O-N 3.44Å; L1961-L2002 HydrophobicContact CD1-CD1 4.15Å; L1961-L2002 HydrophobicContact CD2-CD1 4.1Å; V1963-L2002 HydrophobicContact CG2-CD1 3.79Å; V1972-L2002 HydrophobicContact CG1-CD1 4.41Å; V1972-L2002 HydrophobicContact CG1-CD2 3.98Å; V1972-L2002 HydrophobicContact CG2-CD2 4Å; I2000-L2002 HydrophobicContact CG2-CD2 4.32Å; L2002-T2010 WeakPolarHBondContact CA-O 3.27Å; L2002-V2011 HydrophobicContact CD2-CB 4.35Å; L2002-V2011 HydrophobicContact CD2-CG1 4.15Å; L2002-V2011 HydrophobicContact CD2-CG2 3.84Å |
| 2003 | F | 82.9 | Confident | 81.9 | Confident | 29 Ų | 29 | 26.3 Ų | 26.3 | 13% | 0.127 | 13% | 0.132 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.9 | 131.8 | 169.5 | -67.9 | -89 | 0 | 0 | 0 | 108.1 | N1925 E2001 T2010 I2012 I2252 V2264 | N1925-F2003 HydrophobicContact CB-CD1 3.7Å; N1925-F2003 HydrophobicContact CB-CE1 3.71Å; N1925-F2003 HydrophobicContact CB-CG 4.48Å; E2001-F2003 HydrophobicContact CB-CD2 4.3Å; E2001-F2003 HydrophobicContact CB-CE2 3.7Å; E2001-F2003 HydrophobicContact CG-CE2 4.46Å; F2003-T2010 PolarHBondContact N-O 2.89Å; F2003-T2010 PolarHBondContact O-N 3.29Å; F2003-I2012 HydrophobicContact CD2-CD1 4.07Å; F2003-I2012 HydrophobicContact CE2-CD1 4.01Å; F2003-I2252 HydrophobicContact CD2-CD1 4.15Å; F2003-I2252 HydrophobicContact CE2-CD1 3.76Å; F2003-I2252 HydrophobicContact CZ-CD1 4.02Å; F2003-I2252 HydrophobicContact CZ-CG2 4.22Å; F2003-V2264 HydrophobicContact CE1-CG1 3.71Å; F2003-V2264 HydrophobicContact CZ-CG1 4Å |
| 2004 | V | 78.2 | Confident | 81.7 | Confident | 5 Ų | 5 | 27.4 Ų | 27.4 | 3% | 0.03 | 14% | 0.138 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.5 | 125.9 | 166.1 | 171.7 | 0 | 0 | 0 | 0 | 108 | R1923 W1924 F1976 G2006 V2008 L2009 | R1923-V2004 WeakPolarHBondContact CA-O 3.35Å; W1924-V2004 HydrophobicContact CD2-CB 4.02Å; W1924-V2004 HydrophobicContact CD2-CG2 4.16Å; W1924-V2004 VanDerWaalsContact CE2-CG2 3.46Å; W1924-V2004 HydrophobicContact CG-CB 4.23Å; W1924-V2004 HydrophobicContact CH2-CG2 3.81Å; W1924-V2004 HydrophobicContact CZ2-CB 4.02Å; W1924-V2004 HydrophobicContact CZ2-CG2 3.29Å; W1924-V2004 HydrophobicContact CZ3-CG2 4.43Å; W1924-V2004 PolarHBondContact N-O 2.73Å; W1924-V2004 VanDerWaalsContact N-O 3.08Å; W1924-V2004 PolarHBondContact O-N 3.43Å; F1976-V2004 HydrophobicContact CE1-CG1 4.23Å; F1976-V2004 HydrophobicContact CZ-CG1 4.36Å; F1976-V2004 HydrophobicContact CZ-CG2 4.15Å; V2004-G2006 WeakPolarHBondContact CG1-O 3.38Å; V2004-V2008 WeakPolarHBondContact CA-O 3.33Å; V2004-L2009 HydrophobicContact CG2-CB 4.36Å; V2004-L2009 HydrophobicContact CG2-CD1 3.61Å |
| 2005 | D | 69.1 | Low | 81.5 | Confident | 68 Ų | 68 | 26.7 Ų | 26.7 | 36% | 0.364 | 13% | 0.132 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.5 | 100.8 | 166.9 | -166.2 | 2.8 | 0 | 0 | 0 | 107.6 | R1923 R2007 V2008 | R1923-D2005 WeakPolarHBondContact CG-OD1 3.3Å; R1923-D2005 IonicContact CZ-OD1 3.11Å; R1923-D2005 IonicContact CZ-OD2 2.77Å; R1923-D2005 VanDerWaalsContact NE-CG 3.33Å; R1923-D2005 IonicContact NE-OD1 2.66Å; R1923-D2005 PolarHBondContact NE-OD1 3.1Å; R1923-D2005 IonicContact NE-OD2 3.27Å; R1923-D2005 PolarHBondContact NE-OD2 3.03Å; R1923-D2005 IonicContact NH2-OD1 2.67Å; R1923-D2005 PolarHBondContact NH2-OD1 3.37Å; R1923-D2005 IonicContact NH2-OD2 3.37Å; R1923-D2005 PolarHBondContact NH2-OD2 2.72Å; D2005-R2007 PolarHBondContact O-N 2.87Å; D2005-R2007 VanDerWaalsContact O-N 3.09Å; D2005-V2008 PolarHBondContact N-O 2.82Å; D2005-V2008 PolarHBondContact O-N 2.82Å |
| 2006 | G | 67.9 | Low | 80.8 | Confident | 8 Ų | 8 | 27.7 Ų | 27.7 | 8% | 0.082 | 14% | 0.139 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 50.3 | -112.7 | -169.1 | 0 | 0 | 0 | 0 | 0 | 112.4 | Q1922 V2004 V2008 | Q1922-G2006 PolarHBondContact O-N 2.81Å; V2004-G2006 WeakPolarHBondContact CG1-O 3.38Å; G2006-V2008 VanDerWaalsContact C-N 3.34Å; G2006-V2008 PolarHBondContact O-N 3.21Å |
| 2007 | R | 63.7 | Low | 79.7 | Confident | 98 Ų | 98 | 27.8 Ų | 27.8 | 37% | 0.37 | 14% | 0.144 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -79.1 | -11.7 | -177.1 | -56.2 | 178.7 | -164.9 | -179.8 | 1.2 | 113.9 | D2005 A2039 A2040 D2043 D2045 | D2005-R2007 PolarHBondContact O-N 2.87Å; D2005-R2007 VanDerWaalsContact O-N 3.09Å; R2007-A2039 CarbonylContact O-C 3.53Å; R2007-A2039 VanDerWaalsContact O-CA 3.28Å; R2007-A2039 WeakPolarHBondContact O-CA 3.41Å; R2007-A2040 HydrophobicContact CB-CB 4.34Å; R2007-A2040 PolarHBondContact O-N 2.83Å; R2007-D2043 VanDerWaalsContact CZ-CA 3.42Å; R2007-D2043 IonicContact CZ-OD1 2.73Å; R2007-D2043 IonicContact CZ-OD2 2.68Å; R2007-D2043 PolarHBondContact NE-O 2.88Å; R2007-D2043 IonicContact NH1-OD1 3.31Å; R2007-D2043 PolarHBondContact NH1-OD1 3.31Å; R2007-D2043 IonicContact NH1-OD2 3.52Å; R2007-D2043 PolarHBondContact NH1-OD2 2.86Å; R2007-D2043 PolarHBondContact NH2-O 2.89Å; R2007-D2043 IonicContact NH2-OD2 3.56Å; R2007-D2043 PolarHBondContact NH2-OD2 2.76Å; R2007-D2045 HydrophobicContact CG-CB 3.8Å |
| 2008 | V | 72.5 | Confident | 78.1 | Confident | 59 Ų | 59 | 28.2 Ų | 28.2 | 36% | 0.358 | 16% | 0.16 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -98.1 | 107.5 | -170 | -174.4 | 0 | 0 | 0 | 0 | 111.4 | V2004 D2005 G2006 A2037 A2039 | V2004-V2008 WeakPolarHBondContact CA-O 3.33Å; D2005-V2008 PolarHBondContact N-O 2.82Å; D2005-V2008 PolarHBondContact O-N 2.82Å; G2006-V2008 VanDerWaalsContact C-N 3.34Å; G2006-V2008 PolarHBondContact O-N 3.21Å; V2008-A2037 HydrophobicContact CG1-CB 4.05Å; V2008-A2039 HydrophobicContact CG2-CB 4.44Å |
| 2009 | L | 80.7 | Confident | 76 | Confident | 0 Ų | 0 | 36.7 Ų | 36.7 | 0% | 0 | 20% | 0.2 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -85.9 | 118 | 168.7 | 175.5 | 65.5 | 0 | 0 | 0 | 110 | V1972 A1974 V1981 I1983 V2004 V2011 A2037 K2038 | V1972-L2009 HydrophobicContact CG1-CD2 3.96Å; A1974-L2009 HydrophobicContact CB-CD2 3.84Å; V1981-L2009 HydrophobicContact CG1-CB 4.19Å; V1981-L2009 HydrophobicContact CG1-CD2 4.14Å; I1983-L2009 HydrophobicContact CD1-CB 4.24Å; I1983-L2009 HydrophobicContact CD1-CD2 3.72Å; I1983-L2009 HydrophobicContact CD1-CG 3.78Å; I1983-L2009 WeakPolarHBondContact CD1-O 3.33Å; V2004-L2009 HydrophobicContact CG2-CB 4.36Å; V2004-L2009 HydrophobicContact CG2-CD1 3.61Å; L2009-V2011 HydrophobicContact CG-CG2 4.42Å; L2009-A2037 CarbonylContact O-C 3.5Å; L2009-A2037 WeakPolarHBondContact O-CA 3.27Å; L2009-K2038 PolarHBondContact N-O 3.36Å; L2009-K2038 PolarHBondContact O-N 2.86Å |
| 2010 | T | 84 | Confident | 73.7 | Confident | 26 Ų | 26 | 41.9 Ų | 41.9 | 16% | 0.16 | 23% | 0.226 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.8 | 122.8 | 175.7 | -58 | 0 | 0 | 0 | 0 | 110.5 | L2002 F2003 I2012 E2035 A2037 | L2002-T2010 WeakPolarHBondContact CA-O 3.27Å; F2003-T2010 PolarHBondContact N-O 2.89Å; F2003-T2010 PolarHBondContact O-N 3.29Å; T2010-I2012 HydrophobicContact CG2-CG1 4.15Å; T2010-E2035 HydrophobicContact CG2-CG 3.77Å; T2010-A2037 HydrophobicContact CG2-CB 4.32Å; T2010-A2037 WeakPolarHBondContact OG1-CB 3.17Å |
| 2011 | V | 86.3 | Confident | 71.3 | Confident | 0 Ų | 0 | 46 Ų | 46 | 0% | 0 | 24% | 0.243 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.9 | 120.9 | 177.6 | -178.5 | 0 | 0 | 0 | 0 | 108.7 | L1970 V1972 I1983 W1990 L2002 L2009 E2035 V2036 | L1970-V2011 HydrophobicContact CD2-CG1 4.13Å; V1972-V2011 HydrophobicContact CB-CG2 3.96Å; V1972-V2011 HydrophobicContact CG1-CG2 4.19Å; V1972-V2011 HydrophobicContact CG2-CG1 4.03Å; V1972-V2011 HydrophobicContact CG2-CG2 3.85Å; I1983-V2011 HydrophobicContact CB-CG2 4.34Å; I1983-V2011 HydrophobicContact CD1-CG2 3.7Å; I1983-V2011 HydrophobicContact CG2-CB 4.45Å; I1983-V2011 HydrophobicContact CG2-CG2 4.06Å; W1990-V2011 HydrophobicContact CH2-CB 3.93Å; W1990-V2011 HydrophobicContact CH2-CG1 3.72Å; W1990-V2011 HydrophobicContact CZ2-CG1 4.41Å; W1990-V2011 HydrophobicContact CZ3-CG1 4.01Å; L2002-V2011 HydrophobicContact CD2-CB 4.35Å; L2002-V2011 HydrophobicContact CD2-CG1 4.15Å; L2002-V2011 HydrophobicContact CD2-CG2 3.84Å; L2009-V2011 HydrophobicContact CG-CG2 4.42Å; V2011-E2035 CarbonylContact O-C 3.54Å; V2011-E2035 VanDerWaalsContact O-CA 3.25Å; V2011-E2035 WeakPolarHBondContact O-CA 3.35Å; V2011-V2036 PolarHBondContact N-O 2.88Å; V2011-V2036 PolarHBondContact O-N 3.21Å |
| 2012 | I | 83.7 | Confident | 69 | Low | 0 Ų | 0 | 51 Ų | 51 | 0% | 0 | 27% | 0.273 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.2 | 131.6 | 176.5 | -54 | 176.9 | 0 | 0 | 0 | 109.2 | E2001 F2003 T2010 E2035 I2252 | E2001-I2012 HydrophobicContact CB-CB 4.33Å; E2001-I2012 PolarHBondContact N-O 3.47Å; E2001-I2012 PolarHBondContact O-N 3.02Å; F2003-I2012 HydrophobicContact CD2-CD1 4.07Å; F2003-I2012 HydrophobicContact CE2-CD1 4.01Å; T2010-I2012 HydrophobicContact CG2-CG1 4.15Å; I2012-E2035 WeakPolarHBondContact CD1-OE2 3.44Å; I2012-E2035 HydrophobicContact CG1-CB 4.28Å; I2012-E2035 HydrophobicContact CG1-CG 3.86Å; I2012-E2035 WeakPolarHBondContact CG1-OE2 3.34Å; I2012-I2252 HydrophobicContact CD1-CD1 3.42Å; I2012-I2252 VanDerWaalsContact CD1-CD1 3.42Å |
| 2013 | V | 83.5 | Confident | 66.7 | Low | 5 Ų | 5 | 55.2 Ų | 55.2 | 3% | 0.03 | 30% | 0.3 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.6 | 133.2 | 174.1 | -174.7 | 0 | 0 | 0 | 0 | 109.6 | L1970 W1990 I1992 T1999 K2015 C2016 C2034 | L1970-V2013 HydrophobicContact CD2-CG2 3.85Å; W1990-V2013 HydrophobicContact CD2-CG2 3.86Å; W1990-V2013 HydrophobicContact CE3-CG2 4.43Å; W1990-V2013 HydrophobicContact CG-CG2 3.99Å; W1990-V2013 HydrophobicContact CZ2-CG2 4.3Å; I1992-V2013 HydrophobicContact CG2-CG1 4.17Å; T1999-V2013 WeakPolarHBondContact O-CA 3.48Å; V2013-K2015 PolarHBondContact O-N 3.11Å; V2013-K2015 VanDerWaalsContact O-N 3.09Å; V2013-C2016 PolarHBondContact O-N 3.42Å; V2013-C2016 VanDerWaalsContact O-N 3.1Å; V2013-C2034 PolarHBondContact N-O 2.7Å |
| 2014 | D | 79.7 | Confident | 64.4 | Low | 48 Ų | 48 | 60.9 Ų | 60.9 | 26% | 0.257 | 33% | 0.329 | S | S | . | . | G | 310 helix | trans | 50.2 | 35 | 177.4 | -58.6 | -35.7 | 0 | 0 | 0 | 114.2 | H1998 T1999 C2016 V2017 | H1998-D2014 VanDerWaalsContact CA-OD1 3.24Å; H1998-D2014 WeakPolarHBondContact CA-OD1 3.21Å; H1998-D2014 IonicContact CE1-OD2 3.77Å; H1998-D2014 IonicContact CG-OD1 3.66Å; H1998-D2014 IonicContact CG-OD2 2.77Å; H1998-D2014 IonicContact ND1-OD1 3.71Å; H1998-D2014 IonicContact ND1-OD2 3.97Å; H1998-D2014 PolarHBondContact ND1-OD2 2.83Å; T1999-D2014 PolarHBondContact N-OD1 3.25Å; T1999-D2014 PolarHBondContact O-N 2.94Å; D2014-C2016 PolarHBondContact O-N 3.16Å; D2014-V2017 PolarHBondContact O-N 2.75Å |
| 2015 | K | 76.3 | Confident | 62.5 | Low | 53 Ų | 53 | 67.6 Ų | 67.6 | 23% | 0.23 | 37% | 0.365 | C | S | . | . | G | 310 helix | trans | 51.1 | 20.9 | -176.9 | -49.5 | -173.5 | -170.2 | -178.2 | 0 | 114.6 | V2013 V2017 E2247 T2249 | V2013-K2015 PolarHBondContact O-N 3.11Å; V2013-K2015 VanDerWaalsContact O-N 3.09Å; K2015-V2017 VanDerWaalsContact C-N 3.3Å; K2015-V2017 HydrophobicContact CB-CG2 4.44Å; K2015-V2017 PolarHBondContact O-N 2.9Å; K2015-E2247 WeakPolarHBondContact CD-OE1 3.35Å; K2015-E2247 IonicContact NZ-OE1 3.64Å; K2015-E2247 PolarHBondContact NZ-OE1 3.48Å; K2015-E2247 IonicContact NZ-OE2 2.8Å; K2015-E2247 PolarHBondContact NZ-OE2 2.97Å; K2015-T2249 WeakPolarHBondContact O-CG2 3.33Å |
| 2016 | C | 70.2 | Confident | 61.4 | Low | 21 Ų | 21 | 71.3 Ų | 71.3 | 14% | 0.142 | 39% | 0.385 | C | S | . | . | G | 310 helix | trans | 58.7 | 28 | -168.6 | -73.1 | 0 | 0 | 0 | 0 | 115.7 | V2013 D2014 C2034 | V2013-C2016 PolarHBondContact O-N 3.42Å; V2013-C2016 VanDerWaalsContact O-N 3.1Å; D2014-C2016 PolarHBondContact O-N 3.16Å; C2016-C2034 HydrophobicContact CB-CB 3.86Å; C2016-C2034 WeakPolarHBondContact CB-SG 3.22Å; C2016-C2034 WeakPolarHBondContact SG-CB 3.36Å; C2016-C2034 CovalentContact SG-SG 2.04Å; C2016-C2034 PolarHBondContact SG-SG 3.26Å |
| 2017 | V | 64.1 | Low | 60.3 | Low | 75 Ų | 75 | 76.4 Ų | 76.4 | 46% | 0.455 | 42% | 0.419 | S | S | . | . | trans | -118.1 | 121.5 | -179.4 | -175.4 | 0 | 0 | 0 | 0 | 111.9 | D2014 K2015 Y2178 | D2014-V2017 PolarHBondContact O-N 2.75Å; K2015-V2017 VanDerWaalsContact C-N 3.3Å; K2015-V2017 HydrophobicContact CB-CG2 4.44Å; K2015-V2017 PolarHBondContact O-N 2.9Å; V2017-Y2178 HydrophobicContact CG2-CD1 4.41Å; V2017-Y2178 HydrophobicContact CG2-CD2 3.52Å; V2017-Y2178 HydrophobicContact CG2-CE2 3.9Å; V2017-Y2178 HydrophobicContact CG2-CG 3.8Å | ||
| 2018 | G | 53.1 | Low | 59.3 | Low | 46 Ų | 46 | 76.2 Ų | 76.2 | 47% | 0.474 | 43% | 0.432 | S | S | . | . | S | Bend | trans | 160.4 | 177.1 | 173.2 | 0 | 0 | 0 | 0 | 0 | 114.4 | N2020 Y2021 | G2018-N2020 PolarHBondContact O-N 2.84Å; G2018-Y2021 VanDerWaalsContact O-CB 3.29Å; G2018-Y2021 WeakPolarHBondContact O-CB 3.29Å; G2018-Y2021 PolarHBondContact O-N 2.73Å |
| 2019 | E | 45.4 | Very low | 58 | Low | 198 Ų | 198 | 75.6 Ų | 75.6 | 93% | 0.925 | 43% | 0.431 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -59.9 | -20.5 | -175.3 | -66.9 | -166.2 | 146.1 | 0 | 0 | 114.9 | Y2021 | E2019-Y2021 PolarHBondContact O-N 2.82Š|
| 2020 | N | 40.1 | Very low | 56.3 | Low | 135 Ų | 135 | 79.2 Ų | 79.2 | 72% | 0.722 | 45% | 0.45 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -70.8 | -10.7 | 173.7 | -74.1 | -55.8 | 0 | 0 | 0 | 113.3 | G2018 V2022 | G2018-N2020 PolarHBondContact O-N 2.84Å; N2020-V2022 PolarHBondContact O-N 3.22Å |
| 2021 | Y | 39.7 | Very low | 55 | Low | 89 Ų | 89 | 79.3 Ų | 79.3 | 35% | 0.349 | 45% | 0.45 | S | S | . | . | trans | -82.4 | 84 | 170.4 | -172 | -93.1 | 0 | 0 | 0 | 110.1 | G2018 E2019 P2023 Y2177 | G2018-Y2021 VanDerWaalsContact O-CB 3.29Å; G2018-Y2021 WeakPolarHBondContact O-CB 3.29Å; G2018-Y2021 PolarHBondContact O-N 2.73Å; E2019-Y2021 PolarHBondContact O-N 2.82Å; Y2021-P2023 HydrophobicContact CD1-CG 4.35Å; Y2021-P2023 HydrophobicContact CE1-CG 4.03Å; Y2021-P2023 WeakPolarHBondContact O-CD 3.33Å; Y2021-Y2177 WeakPolarHBondContact OH-CD2 3.22Å | ||
| 2022 | V | 39 | Very low | 53.6 | Low | 107 Ų | 107 | 84.4 Ų | 84.4 | 65% | 0.648 | 48% | 0.477 | S | S | * | . | P | Polyproline II helix | trans | -88 | 117.3 | 165.3 | -179.4 | 0 | 0 | 0 | 0 | 108.1 | N2020 M2024 | N2020-V2022 PolarHBondContact O-N 3.22Å; V2022-M2024 PolarHBondContact O-N 2.84Å |
| 2023 | P | 41.1 | Very low | 52.6 | Low | 90 Ų | 90 | 90.9 Ų | 90.9 | 58% | 0.584 | 50% | 0.501 | S | S | * | . | P | Polyproline II helix | trans | -61.8 | 126.3 | 172 | -19.2 | 31.9 | 0 | 0 | 0 | 110.3 | Y2021 | Y2021-P2023 HydrophobicContact CD1-CG 4.35Å; Y2021-P2023 HydrophobicContact CE1-CG 4.03Å; Y2021-P2023 WeakPolarHBondContact O-CD 3.33Å |
| 2024 | M | 34.3 | Very low | 51.9 | Low | 148 Ų | 148 | 91.7 Ų | 91.7 | 73% | 0.729 | 51% | 0.507 | S | S | * | . | P | Polyproline II helix | trans | -99.2 | 141.9 | 160.9 | -75 | -76.2 | -172.2 | 0 | 0 | 107.6 | V2022 D2026 | V2022-M2024 PolarHBondContact O-N 2.84Å; M2024-D2026 PolarHBondContact O-N 3.01Å |
| 2025 | D | 37.7 | Very low | 51.6 | Low | 145 Ų | 145 | 90.8 Ų | 90.8 | 78% | 0.775 | 50% | 0.501 | S | S | * | . | P | Polyproline II helix | trans | -66.7 | 125.9 | -167.4 | -62.5 | -51.8 | 0 | 0 | 0 | 113.9 | S2027 | D2025-S2027 PolarHBondContact O-N 2.8Š|
| 2026 | D | 45.9 | Very low | 51.7 | Low | 147 Ų | 147 | 90.2 Ų | 90.2 | 79% | 0.786 | 50% | 0.502 | S | S | * | . | S | Bend | trans | 47.1 | 27.9 | 146.8 | -68.5 | -4.7 | 0 | 0 | 0 | 120.8 | M2024 | M2024-D2026 PolarHBondContact O-N 3.01Š|
| 2027 | S | 45.1 | Very low | 52 | Low | 115 Ų | 115 | 92 Ų | 92 | 80% | 0.804 | 52% | 0.518 | S | S | * | . | S | Bend | trans | -152.2 | -33.3 | 164.9 | 53.6 | 0 | 0 | 0 | 0 | 117.7 | D2025 | D2025-S2027 PolarHBondContact O-N 2.8Š|
| 2028 | S | 43.1 | Very low | 52.5 | Low | 93 Ų | 93 | 93 Ų | 93 | 65% | 0.65 | 52% | 0.516 | S | S | * | . | trans | -152.9 | 106 | 173.2 | 47.1 | 0 | 0 | 0 | 0 | 112.6 | ||||
| 2029 | S | 44.8 | Very low | 53.2 | Low | 46 Ų | 46 | 93.5 Ų | 93.5 | 32% | 0.322 | 52% | 0.516 | S | S | . | . | trans | -79.9 | 119.2 | 166.1 | 56.4 | 0 | 0 | 0 | 0 | 109 | L2031 | S2029-L2031 PolarHBondContact O-N 2.66Š| ||
| 2030 | D | 45.4 | Very low | 54 | Low | 77 Ų | 77 | 84.7 Ų | 84.7 | 41% | 0.412 | 48% | 0.477 | S | S | . | . | trans | -73.9 | 71.1 | -179.8 | 178.6 | 30.2 | 0 | 0 | 0 | 110.9 | N2032 R2033 | D2030-N2032 PolarHBondContact O-N 3.07Å; D2030-N2032 WeakPolarHBondContact OD1-CB 3.41Å; D2030-N2032 PolarHBondContact OD1-ND2 3.22Å; D2030-R2033 WeakPolarHBondContact O-CG 3.49Å; D2030-R2033 PolarHBondContact O-N 2.86Å; D2030-R2033 IonicContact OD2-CZ 3.84Å; D2030-R2033 IonicContact OD2-NE 2.82Å; D2030-R2033 PolarHBondContact OD2-NE 3.03Å; D2030-R2033 IonicContact OD2-NH2 3.85Å; D2030-R2033 PolarHBondContact OD2-NH2 2.91Å; D2030-R2033 VanDerWaalsContact OD2-NH2 3.09Å | ||
| 2031 | L | 55.7 | Low | 54.7 | Low | 28 Ų | 28 | 82.1 Ų | 82.1 | 15% | 0.147 | 47% | 0.47 | C | S | . | . | G | 310 helix | trans | -64.6 | -16.8 | -176.4 | -68.7 | 171.1 | 0 | 0 | 0 | 113.2 | S2029 R2033 C2034 E2035 K2250 | S2029-L2031 PolarHBondContact O-N 2.66Å; L2031-R2033 PolarHBondContact O-N 3.48Å; L2031-C2034 PolarHBondContact O-N 2.89Å; L2031-C2034 PolarHBondContact O-SG 2.98Å; L2031-E2035 PolarHBondContact O-N 2.69Å; L2031-E2035 VanDerWaalsContact O-N 3.08Å; L2031-K2250 HydrophobicContact CD1-CD 4.4Å |
| 2032 | N | 57.4 | Low | 55.2 | Low | 107 Ų | 107 | 79.4 Ų | 79.4 | 57% | 0.572 | 46% | 0.461 | S | S | * | . | G | 310 helix | trans | -52.7 | -14.3 | 173.6 | -53.7 | -66.5 | 0 | 0 | 0 | 114.2 | D2030 E2035 | D2030-N2032 PolarHBondContact O-N 3.07Å; D2030-N2032 WeakPolarHBondContact OD1-CB 3.41Å; D2030-N2032 PolarHBondContact OD1-ND2 3.22Å; N2032-E2035 VanDerWaalsContact CA-O 3.26Å; N2032-E2035 WeakPolarHBondContact CA-O 3.4Å |
| 2033 | R | 62.5 | Low | 55.8 | Low | 135 Ų | 135 | 76.1 Ų | 76.1 | 51% | 0.509 | 44% | 0.44 | S | S | . | . | G | 310 helix | trans | -77.2 | -23.4 | 177.7 | -64 | 178.9 | -171.8 | -168.7 | 5.5 | 114.1 | S1989 W1990 D2030 L2031 | S1989-R2033 WeakPolarHBondContact CB-O 3.42Å; S1989-R2033 PolarHBondContact OG-O 2.98Å; W1990-R2033 PolarHBondContact NE1-O 2.8Å; W1990-R2033 VanDerWaalsContact NE1-O 3.12Å; D2030-R2033 WeakPolarHBondContact O-CG 3.49Å; D2030-R2033 PolarHBondContact O-N 2.86Å; D2030-R2033 IonicContact OD2-CZ 3.84Å; D2030-R2033 IonicContact OD2-NE 2.82Å; D2030-R2033 PolarHBondContact OD2-NE 3.03Å; D2030-R2033 IonicContact OD2-NH2 3.85Å; D2030-R2033 PolarHBondContact OD2-NH2 2.91Å; D2030-R2033 VanDerWaalsContact OD2-NH2 3.09Å; L2031-R2033 PolarHBondContact O-N 3.48Å |
| 2034 | C | 69.6 | Low | 56.4 | Low | 23 Ų | 23 | 73.6 Ų | 73.6 | 16% | 0.155 | 42% | 0.421 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -127.7 | -23 | -177.1 | 59.8 | 0 | 0 | 0 | 0 | 112.8 | V2013 C2016 L2031 | V2013-C2034 PolarHBondContact N-O 2.7Å; C2016-C2034 HydrophobicContact CB-CB 3.86Å; C2016-C2034 WeakPolarHBondContact CB-SG 3.22Å; C2016-C2034 WeakPolarHBondContact SG-CB 3.36Å; C2016-C2034 CovalentContact SG-SG 2.04Å; C2016-C2034 PolarHBondContact SG-SG 3.26Å; L2031-C2034 PolarHBondContact O-N 2.89Å; L2031-C2034 PolarHBondContact O-SG 2.98Å |
| 2035 | E | 73.7 | Confident | 57.6 | Low | 29 Ų | 29 | 67.6 Ų | 67.6 | 14% | 0.136 | 39% | 0.392 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.6 | 137.9 | 177.8 | 178 | 174.3 | 97.8 | 0 | 0 | 109.9 | T2010 V2011 I2012 L2031 N2032 K2250 | T2010-E2035 HydrophobicContact CG2-CG 3.77Å; V2011-E2035 CarbonylContact O-C 3.54Å; V2011-E2035 VanDerWaalsContact O-CA 3.25Å; V2011-E2035 WeakPolarHBondContact O-CA 3.35Å; I2012-E2035 WeakPolarHBondContact CD1-OE2 3.44Å; I2012-E2035 HydrophobicContact CG1-CB 4.28Å; I2012-E2035 HydrophobicContact CG1-CG 3.86Å; I2012-E2035 WeakPolarHBondContact CG1-OE2 3.34Å; L2031-E2035 PolarHBondContact O-N 2.69Å; L2031-E2035 VanDerWaalsContact O-N 3.08Å; N2032-E2035 VanDerWaalsContact CA-O 3.26Å; N2032-E2035 WeakPolarHBondContact CA-O 3.4Å; E2035-K2250 IonicContact OE1-NZ 3.88Å; E2035-K2250 PolarHBondContact OE1-NZ 3.17Å; E2035-K2250 IonicContact OE2-NZ 3.54Å; E2035-K2250 PolarHBondContact OE2-NZ 2.87Å |
| 2036 | V | 77.6 | Confident | 58.8 | Low | 41 Ų | 41 | 61.9 Ų | 61.9 | 25% | 0.248 | 36% | 0.361 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.8 | 117.2 | 169 | 176.5 | 0 | 0 | 0 | 0 | 108.7 | I1983 W1990 V2011 | I1983-V2036 HydrophobicContact CG2-CB 4.02Å; I1983-V2036 HydrophobicContact CG2-CG1 3.87Å; W1990-V2036 HydrophobicContact CH2-CB 3.89Å; W1990-V2036 HydrophobicContact CH2-CG2 3.79Å; W1990-V2036 HydrophobicContact CZ2-CB 4.11Å; W1990-V2036 HydrophobicContact CZ2-CG2 3.67Å; V2011-V2036 PolarHBondContact N-O 2.88Å; V2011-V2036 PolarHBondContact O-N 3.21Å |
| 2037 | A | 77.1 | Confident | 59.9 | Low | 58 Ų | 58 | 54.9 Ų | 54.9 | 48% | 0.479 | 32% | 0.324 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.2 | 142.1 | 166.4 | 0 | 0 | 0 | 0 | 0 | 110.2 | V2008 L2009 T2010 | V2008-A2037 HydrophobicContact CG1-CB 4.05Å; L2009-A2037 CarbonylContact O-C 3.5Å; L2009-A2037 WeakPolarHBondContact O-CA 3.27Å; T2010-A2037 HydrophobicContact CG2-CB 4.32Å; T2010-A2037 WeakPolarHBondContact OG1-CB 3.17Å |
| 2038 | K | 74.2 | Confident | 61 | Low | 96 Ų | 96 | 51.1 Ų | 51.1 | 42% | 0.417 | 29% | 0.294 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -150.6 | 127.6 | 174 | -171.9 | 176.1 | 169.9 | 176.2 | 0 | 110.8 | V1981 S1982 I1983 L2009 | V1981-K2038 HydrophobicContact CG1-CB 3.97Å; V1981-K2038 HydrophobicContact CG1-CD 3.97Å; V1981-K2038 HydrophobicContact CG1-CG 3.91Å; S1982-K2038 PolarHBondContact O-NZ 3.5Å; I1983-K2038 HydrophobicContact CD1-CB 3.83Å; I1983-K2038 HydrophobicContact CG1-CB 3.83Å; I1983-K2038 HydrophobicContact CG1-CD 4.01Å; L2009-K2038 PolarHBondContact N-O 3.36Å; L2009-K2038 PolarHBondContact O-N 2.86Å |
| 2039 | A | 68.5 | Low | 62.4 | Low | 56 Ų | 56 | 46.9 Ų | 46.9 | 46% | 0.463 | 27% | 0.265 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -78.4 | 151.5 | 176 | 0 | 0 | 0 | 0 | 0 | 112.7 | R2007 V2008 | R2007-A2039 CarbonylContact O-C 3.53Å; R2007-A2039 VanDerWaalsContact O-CA 3.28Å; R2007-A2039 WeakPolarHBondContact O-CA 3.41Å; V2008-A2039 HydrophobicContact CG2-CB 4.44Å |
| 2040 | A | 61.7 | Low | 63.6 | Low | 13 Ų | 13 | 45.6 Ų | 45.6 | 11% | 0.107 | 25% | 0.253 | C | S | . | . | trans | -65.7 | 143.8 | 160.4 | 0 | 0 | 0 | 0 | 0 | 110.9 | F1976 V1981 R2007 L2042 | F1976-A2040 HydrophobicContact CD2-CB 4.29Å; V1981-A2040 VanDerWaalsContact CG2-CA 3.45Å; V1981-A2040 HydrophobicContact CG2-CB 3.78Å; R2007-A2040 HydrophobicContact CB-CB 4.34Å; R2007-A2040 PolarHBondContact O-N 2.83Å; A2040-L2042 VanDerWaalsContact C-N 3.3Å | ||
| 2041 | S | 53.8 | Low | 65.4 | Low | 81 Ų | 81 | 42.3 Ų | 42.3 | 57% | 0.566 | 24% | 0.235 | S | C | * | . | S | Bend | trans | -90.4 | 9.1 | -178.7 | 70.2 | 0 | 0 | 0 | 0 | 113.8 | ||
| 2042 | L | 51.6 | Low | 66.9 | Low | 32 Ų | 32 | 41 Ų | 41 | 17% | 0.168 | 23% | 0.228 | C | C | . | . | S | Bend | trans | -142.8 | 154.8 | -179 | -79.9 | 170.1 | 0 | 0 | 0 | 107.9 | A1452 G1978 A2040 N2044 | A1452-L2042 HydrophobicContact CB-CD2 3.77Å; G1978-L2042 VanDerWaalsContact CA-CD1 3.42Å; A2040-L2042 VanDerWaalsContact C-N 3.3Å; L2042-N2044 PolarHBondContact O-N 2.75Å |
| 2043 | D | 51.5 | Low | 68.5 | Low | 38 Ų | 38 | 35.9 Ų | 35.9 | 20% | 0.203 | 20% | 0.201 | C | C | . | . | S | Bend | trans | -72.5 | -2.4 | -158.5 | -84.5 | 48.4 | 0 | 0 | 0 | 116.4 | R1438 R2007 | R1438-D2043 PolarHBondContact NH1-O 2.93Å; R2007-D2043 VanDerWaalsContact CZ-CA 3.42Å; R2007-D2043 IonicContact CZ-OD1 2.73Å; R2007-D2043 IonicContact CZ-OD2 2.68Å; R2007-D2043 PolarHBondContact NE-O 2.88Å; R2007-D2043 IonicContact NH1-OD1 3.31Å; R2007-D2043 PolarHBondContact NH1-OD1 3.31Å; R2007-D2043 IonicContact NH1-OD2 3.52Å; R2007-D2043 PolarHBondContact NH1-OD2 2.86Å; R2007-D2043 PolarHBondContact NH2-O 2.89Å; R2007-D2043 IonicContact NH2-OD2 3.56Å; R2007-D2043 PolarHBondContact NH2-OD2 2.76Å |
| 2044 | N | 54.1 | Low | 69.9 | Low | 37 Ų | 37 | 29.5 Ų | 29.5 | 20% | 0.198 | 18% | 0.177 | C | C | . | . | trans | -77.7 | 127.4 | -179.7 | -170.3 | 30.7 | 0 | 0 | 0 | 111.8 | R1438 F1976 G1977 L2042 Q2046 | R1438-N2044 VanDerWaalsContact NH1-CA 3.27Å; F1976-N2044 HydrophobicContact CB-CB 4.49Å; G1977-N2044 PolarHBondContact N-ND2 2.7Å; L2042-N2044 PolarHBondContact O-N 2.75Å; N2044-Q2046 PolarHBondContact ND2-O 3.05Å | ||
| 2045 | D | 59.1 | Low | 71 | Confident | 23 Ų | 23 | 28.4 Ų | 28.4 | 12% | 0.123 | 17% | 0.17 | C | C | . | . | trans | -120.6 | 6.3 | -167.4 | 65 | -53.4 | 0 | 0 | 0 | 112.8 | Q1922 R2007 | Q1922-D2045 PolarHBondContact NE2-OD2 2.56Å; R2007-D2045 HydrophobicContact CG-CB 3.8Å | ||
| 2046 | Q | 62.3 | Low | 71.8 | Confident | 24 Ų | 24 | 27 Ų | 27 | 11% | 0.112 | 16% | 0.163 | C | C | . | . | trans | -125.1 | 149.5 | 177.3 | -63.3 | 178.6 | 35.4 | 0 | 0 | 111 | C1823 S1824 Q1922 N2044 | C1823-Q2046 PolarHBondContact O-NE2 2.91Å; S1824-Q2046 PolarHBondContact O-NE2 3.19Å; Q1922-Q2046 HydrophobicContact CB-CG 4.37Å; N2044-Q2046 PolarHBondContact ND2-O 3.05Å | ||
| 2047 | L | 69.1 | Low | 72.2 | Confident | 1 Ų | 1 | 25.1 Ų | 25.1 | 1% | 0.005 | 15% | 0.152 | C | C | . | . | trans | -112.4 | 102.9 | -177.8 | 178.4 | 77.4 | 0 | 0 | 0 | 109.8 | S1920 W1924 D1959 L1961 H1975 F1976 T2049 | S1920-L2047 PolarHBondContact OG-O 3.42Å; W1924-L2047 HydrophobicContact CZ2-CD2 3.75Å; D1959-L2047 HydrophobicContact CB-CD1 4.11Å; L1961-L2047 HydrophobicContact CB-CD2 4.12Å; H1975-L2047 VanDerWaalsContact O-CD1 3.26Å; H1975-L2047 WeakPolarHBondContact O-CD1 3.33Å; F1976-L2047 HydrophobicContact CD1-CB 3.95Å; F1976-L2047 HydrophobicContact CD1-CD1 4.27Å; F1976-L2047 HydrophobicContact CE1-CB 3.92Å; F1976-L2047 HydrophobicContact CE1-CD1 4.38Å; L2047-T2049 HydrophobicContact CD1-CG2 4.26Å; L2047-T2049 HydrophobicContact CD2-CG2 4.1Å; L2047-T2049 HydrophobicContact CG-CG2 3.97Å; L2047-T2049 PolarHBondContact O-N 3.44Å | ||
| 2048 | N | 68.7 | Low | 72.7 | Confident | 35 Ų | 35 | 23.1 Ų | 23.1 | 19% | 0.187 | 13% | 0.133 | C | C | . | . | trans | -94.7 | 77.5 | -178.6 | -169.1 | -2.3 | 0 | 0 | 0 | 112.9 | D1816 C1818 D1959 K2050 | D1816-N2048 PolarHBondContact OD2-ND2 2.81Å; C1818-N2048 PolarHBondContact O-ND2 3.5Å; C1818-N2048 VanDerWaalsContact O-ND2 3.15Å; D1959-N2048 PolarHBondContact OD2-N 2.94Å; N2048-K2050 PolarHBondContact O-N 3.3Å | ||
| 2049 | T | 72.9 | Confident | 73 | Confident | 4 Ų | 4 | 18.6 Ų | 18.6 | 3% | 0.025 | 11% | 0.113 | C | C | . | . | trans | -81.9 | 92.1 | -179.9 | 42.7 | 0 | 0 | 0 | 0 | 113.9 | P1917 I1918 N1942 L2047 F2051 | P1917-T2049 VanDerWaalsContact CB-O 3.32Å; P1917-T2049 WeakPolarHBondContact CB-O 3.47Å; I1918-T2049 PolarHBondContact O-OG1 3.04Å; I1918-T2049 VanDerWaalsContact O-OG1 3.12Å; N1942-T2049 HydrophobicContact CB-CG2 4.07Å; N1942-T2049 WeakPolarHBondContact ND2-CB 3.4Å; N1942-T2049 WeakPolarHBondContact O-CG2 3.46Å; L2047-T2049 HydrophobicContact CD1-CG2 4.26Å; L2047-T2049 HydrophobicContact CD2-CG2 4.1Å; L2047-T2049 HydrophobicContact CG-CG2 3.97Å; L2047-T2049 PolarHBondContact O-N 3.44Å; T2049-F2051 PolarHBondContact O-N 2.85Å | ||
| 2050 | K | 69.9 | Low | 73.2 | Confident | 20 Ų | 20 | 22.2 Ų | 22.2 | 9% | 0.087 | 12% | 0.121 | C | C | . | . | trans | -66.9 | -15.5 | -178.4 | -66.4 | -169.1 | 177.3 | -163.3 | 0 | 117.8 | D1812 N1814 N2048 | D1812-K2050 IonicContact OD2-NZ 2.69Å; N1814-K2050 HydrophobicContact CB-CB 4.47Å; N1814-K2050 HydrophobicContact CB-CD 4.33Å; N1814-K2050 PolarHBondContact ND2-O 2.81Å; N1814-K2050 PolarHBondContact O-NZ 3.5Å; N2048-K2050 PolarHBondContact O-N 3.3Å | ||
| 2051 | F | 82.2 | Confident | 73.5 | Confident | 7 Ų | 7 | 22.4 Ų | 22.4 | 3% | 0.031 | 12% | 0.122 | C | C | . | . | S | Bend | trans | -118.2 | 157.8 | -167 | -62.7 | -74.2 | 0 | 0 | 0 | 112.8 | E1788 V1813 N1942 G1943 P1944 T2049 | E1788-F2051 HydrophobicContact CG-CD1 4.15Å; E1788-F2051 HydrophobicContact CG-CE1 3.48Å; E1788-F2051 VanDerWaalsContact CG-CE1 3.48Å; E1788-F2051 HydrophobicContact CG-CZ 4.12Å; V1813-F2051 HydrophobicContact CB-CE1 4.49Å; V1813-F2051 HydrophobicContact CG1-CE1 4.27Å; N1942-F2051 PolarHBondContact ND2-O 3.15Å; G1943-F2051 WeakPolarHBondContact O-CB 3.29Å; P1944-F2051 HydrophobicContact CB-CD2 4.21Å; P1944-F2051 HydrophobicContact CB-CE2 4.04Å; P1944-F2051 HydrophobicContact CG-CD2 4.13Å; P1944-F2051 HydrophobicContact CG-CE2 3.99Å; T2049-F2051 PolarHBondContact O-N 2.85Å |
| 2052 | P | 86.8 | Confident | 73.6 | Confident | 0 Ų | 0 | 20.5 Ų | 20.5 | 0% | 0 | 11% | 0.111 | C | C | . | . | trans | -47.8 | 142.7 | -177.4 | -32 | 36.1 | 0 | 0 | 0 | 115.9 | A1781 W1914 Q2054 | A1781-P2052 HydrophobicContact CB-CG 4.19Å; A1781-P2052 WeakPolarHBondContact O-CG 3.41Å; W1914-P2052 HydrophobicContact CB-CB 4.1Å; W1914-P2052 HydrophobicContact CD2-CB 4.13Å; W1914-P2052 HydrophobicContact CD2-CG 4.32Å; W1914-P2052 HydrophobicContact CE3-CB 4.45Å; W1914-P2052 HydrophobicContact CE3-CG 4.19Å; W1914-P2052 HydrophobicContact CG-CB 3.98Å; P2052-Q2054 VanDerWaalsContact O-CG 3.32Å; P2052-Q2054 WeakPolarHBondContact O-CG 3.32Å; P2052-Q2054 PolarHBondContact O-N 3.03Å | ||
| 2053 | L | 92 | Very high | 73.5 | Confident | 1 Ų | 1 | 22.9 Ų | 22.9 | 1% | 0.005 | 14% | 0.144 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -71.9 | 118.3 | 169.8 | 177.2 | 64.3 | 0 | 0 | 0 | 109.4 | W1914 F1915 E1916 I1918 L1940 N1942 I2055 L2084 I2086 | W1914-L2053 CarbonylContact C-O 3.53Å; W1914-L2053 WeakPolarHBondContact CA-O 3.37Å; F1915-L2053 HydrophobicContact CB-CB 4.31Å; F1915-L2053 HydrophobicContact CB-CD2 4.45Å; F1915-L2053 PolarHBondContact N-O 3.06Å; F1915-L2053 PolarHBondContact O-N 3.31Å; E1916-L2053 VanDerWaalsContact O-CB 3.24Å; E1916-L2053 WeakPolarHBondContact O-CB 3.36Å; I1918-L2053 HydrophobicContact CD1-CD1 4.48Å; L1940-L2053 HydrophobicContact CD1-CD1 3.97Å; L1940-L2053 HydrophobicContact CD2-CD1 3.87Å; L1940-L2053 HydrophobicContact CG-CD1 3.7Å; N1942-L2053 HydrophobicContact CB-CD1 3.86Å; L2053-I2055 HydrophobicContact CD1-CD1 4.2Å; L2053-I2055 HydrophobicContact CD2-CD1 4.33Å; L2053-I2055 HydrophobicContact CG-CD1 4.03Å; L2053-I2055 HydrophobicContact CG-CG1 4.47Å; L2053-L2084 HydrophobicContact CD2-CD2 4.29Å; L2053-I2086 HydrophobicContact CD2-CD1 3.64Å |
| 2054 | Q | 91.7 | Very high | 73.6 | Confident | 0 Ų | 0 | 22.4 Ų | 22.4 | 0% | 0 | 15% | 0.147 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.6 | 114.3 | -175.4 | -41.9 | -167 | 50.8 | 0 | 0 | 109.9 | A1913 L1940 Y1941 P2052 G2057 | A1913-Q2054 WeakPolarHBondContact O-CA 3.29Å; L1940-Q2054 CarbonylContact C-O 3.46Å; L1940-Q2054 WeakPolarHBondContact CA-O 3.44Å; Y1941-Q2054 PolarHBondContact N-O 3.46Å; Y1941-Q2054 WeakPolarHBondContact O-CA 3.36Å; Y1941-Q2054 WeakPolarHBondContact O-CB 3.27Å; Y1941-Q2054 PolarHBondContact O-N 2.86Å; P2052-Q2054 VanDerWaalsContact O-CG 3.32Å; P2052-Q2054 WeakPolarHBondContact O-CG 3.32Å; P2052-Q2054 PolarHBondContact O-N 3.03Å; Q2054-G2057 WeakPolarHBondContact CB-O 3.39Å |
| 2055 | I | 93.5 | Very high | 73.6 | Confident | 1 Ų | 1 | 28.5 Ų | 28.5 | 1% | 0.005 | 17% | 0.169 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -101.9 | 138.7 | 179.2 | -54.8 | -59.1 | 0 | 0 | 0 | 109.8 | F1907 W1912 A1913 F1915 L1940 L2053 G2057 V2081 L2084 F2093 | F1907-I2055 WeakPolarHBondContact CE1-O 3.39Å; F1907-I2055 HydrophobicContact CE2-CG2 4.01Å; F1907-I2055 HydrophobicContact CZ-CB 4.22Å; F1907-I2055 HydrophobicContact CZ-CG2 3.77Å; W1912-I2055 WeakPolarHBondContact CA-O 3.28Å; A1913-I2055 PolarHBondContact N-O 3.28Å; A1913-I2055 PolarHBondContact O-N 2.79Å; F1915-I2055 HydrophobicContact CD2-CB 4.48Å; F1915-I2055 HydrophobicContact CD2-CG1 3.82Å; F1915-I2055 HydrophobicContact CE2-CB 4.2Å; F1915-I2055 HydrophobicContact CE2-CG1 3.94Å; L1940-I2055 HydrophobicContact CB-CD1 4.02Å; L1940-I2055 HydrophobicContact CD1-CD1 3.83Å; L1940-I2055 HydrophobicContact CG-CD1 3.78Å; L2053-I2055 HydrophobicContact CD1-CD1 4.2Å; L2053-I2055 HydrophobicContact CD2-CD1 4.33Å; L2053-I2055 HydrophobicContact CG-CD1 4.03Å; L2053-I2055 HydrophobicContact CG-CG1 4.47Å; I2055-G2057 PolarHBondContact O-N 2.91Å; I2055-V2081 HydrophobicContact CG2-CB 4.21Å; I2055-V2081 HydrophobicContact CG2-CG1 4.31Å; I2055-V2081 HydrophobicContact CG2-CG2 3.98Å; I2055-L2084 HydrophobicContact CD1-CD2 3.81Å; I2055-L2084 HydrophobicContact CG1-CD2 4.17Å; I2055-F2093 HydrophobicContact CG1-CE1 4.42Å; I2055-F2093 HydrophobicContact CG2-CZ 4.5Å |
| 2056 | G | 89.3 | Confident | 73.3 | Confident | 0 Ų | 0 | 28.3 Ų | 28.3 | 0% | 0 | 17% | 0.169 | C | C | . | . | S | Bend | trans | 74 | -4.8 | 175.5 | 0 | 0 | 0 | 0 | 0 | 116.2 | G1911 V1938 I1939 G2076 L2077 | G1911-G2056 CarbonylContact O-C 3.6Å; V1938-G2056 CarbonylContact O-C 3.48Å; V1938-G2056 WeakPolarHBondContact O-CA 3.42Å; I1939-G2056 PolarHBondContact O-N 3.18Å; G2056-G2076 CarbonylContact O-C 3.51Å; G2056-G2076 VanDerWaalsContact O-CA 3.23Å; G2056-G2076 WeakPolarHBondContact O-CA 3.22Å; G2056-L2077 PolarHBondContact O-N 3.07Å |
| 2057 | G | 87.2 | Confident | 73.2 | Confident | 1 Ų | 1 | 28.3 Ų | 28.3 | 1% | 0.01 | 17% | 0.168 | C | C | . | . | S | Bend | trans | 174.6 | -178.8 | 179.2 | 0 | 0 | 0 | 0 | 0 | 112.4 | Q2054 I2055 | Q2054-G2057 WeakPolarHBondContact CB-O 3.39Å; I2055-G2057 PolarHBondContact O-N 2.91Å |
| 2058 | I | 86.8 | Confident | 72.6 | Confident | 16 Ų | 16 | 33.1 Ų | 33.1 | 8% | 0.082 | 19% | 0.187 | C | C | . | . | trans | -124.2 | 128.9 | 178.7 | -52.5 | 179 | 0 | 0 | 0 | 108.7 | V1938 Y1941 L2071 | V1938-I2058 HydrophobicContact CG1-CD1 4.34Å; V1938-I2058 HydrophobicContact CG1-CG1 4.08Å; V1938-I2058 HydrophobicContact CG2-CD1 4.25Å; V1938-I2058 HydrophobicContact CG2-CG1 4.37Å; Y1941-I2058 HydrophobicContact CD1-CD1 3.8Å; Y1941-I2058 HydrophobicContact CD1-CG1 3.91Å; Y1941-I2058 HydrophobicContact CD1-CG2 4.02Å; Y1941-I2058 HydrophobicContact CD2-CD1 4.31Å; Y1941-I2058 HydrophobicContact CE1-CD1 4.37Å; Y1941-I2058 HydrophobicContact CE1-CG2 4.31Å; Y1941-I2058 HydrophobicContact CG-CD1 3.77Å; Y1941-I2058 HydrophobicContact CG-CG1 4.05Å; I2058-L2071 HydrophobicContact CD1-CD1 3.7Å | ||
| 2059 | A | 80.4 | Confident | 72.2 | Confident | 0 Ų | 0 | 39.8 Ų | 39.8 | 0% | 0 | 21% | 0.209 | C | C | . | . | trans | -64.8 | 147.3 | 176.3 | 0 | 0 | 0 | 0 | 0 | 111.7 | L1789 W1912 W1914 | L1789-A2059 HydrophobicContact CD1-CB 4.12Å; W1912-A2059 HydrophobicContact CD2-CB 3.93Å; W1912-A2059 HydrophobicContact CE3-CB 4.14Å; W1912-A2059 HydrophobicContact CH2-CB 4.02Å; W1912-A2059 HydrophobicContact CZ2-CB 3.81Å; W1912-A2059 HydrophobicContact CZ3-CB 4.19Å; W1914-A2059 HydrophobicContact CZ2-CB 3.59Å | ||
| 2060 | Q | 73.1 | Confident | 71.7 | Confident | 133 Ų | 133 | 43.5 Ų | 43.5 | 62% | 0.621 | 23% | 0.229 | S | C | * | . | trans | -114 | 116.4 | -174.7 | -58.9 | -174.4 | 56.6 | 0 | 0 | 110.5 | R2068 | Q2060-R2068 VanDerWaalsContact CD-NH2 3.34Š| ||
| 2061 | A | 68 | Low | 71.8 | Confident | 17 Ų | 17 | 43.4 Ų | 43.4 | 14% | 0.14 | 23% | 0.229 | C | C | . | . | trans | -68.3 | 149.5 | 177.3 | 0 | 0 | 0 | 0 | 0 | 112.5 | L1789 I1945 V1946 | L1789-A2061 HydrophobicContact CD1-CB 4.4Å; L1789-A2061 WeakPolarHBondContact O-CA 3.5Å; I1945-A2061 HydrophobicContact CG2-CB 4.22Å; V1946-A2061 HydrophobicContact CG2-CB 3.97Å | ||
| 2062 | A | 55.7 | Low | 71.3 | Confident | 40 Ų | 40 | 46.8 Ų | 46.8 | 33% | 0.331 | 25% | 0.248 | S | C | . | . | S | Bend | trans | -79.3 | 137.8 | 176.8 | 0 | 0 | 0 | 0 | 0 | 111.4 | L1789 G2064 | L1789-A2062 PolarHBondContact O-N 2.99Å; A2062-G2064 PolarHBondContact O-N 2.92Å |
| 2063 | G | 49.9 | Very low | 70.9 | Confident | 83 Ų | 83 | 47.1 Ų | 47.1 | 86% | 0.856 | 25% | 0.25 | S | C | * | . | S | Bend | trans | 69.8 | -7.7 | 171 | 0 | 0 | 0 | 0 | 0 | 117.8 | ||
| 2064 | G | 52.8 | Low | 70.1 | Confident | 27 Ų | 27 | 49.7 Ų | 49.7 | 28% | 0.278 | 27% | 0.265 | S | S | . | . | S | Bend | trans | -108.3 | 170.3 | -167.1 | 0 | 0 | 0 | 0 | 0 | 117.7 | A2062 S2066 | A2062-G2064 PolarHBondContact O-N 2.92Å; G2064-S2066 PolarHBondContact O-N 2.87Å |
| 2065 | Y | 53.8 | Low | 69.7 | Low | 166 Ų | 166 | 52.7 Ų | 52.7 | 65% | 0.651 | 28% | 0.284 | S | S | * | . | trans | -74.7 | 97.5 | 162.7 | -64.7 | -80 | 0 | 0 | 0 | 109 | V1946 D1947 | V1946-Y2065 CarbonylContact C-O 3.39Å; V1946-Y2065 WeakPolarHBondContact CA-O 3.17Å; V1946-Y2065 VanDerWaalsContact CG1-O 3.26Å; V1946-Y2065 WeakPolarHBondContact CG1-O 3.04Å; D1947-Y2065 PolarHBondContact N-O 2.98Å | ||
| 2066 | S | 52.7 | Low | 69.3 | Low | 18 Ų | 18 | 53 Ų | 53 | 13% | 0.126 | 29% | 0.288 | C | S | . | . | B | Isolated β-bridge | trans | -64.7 | 142.1 | 172.8 | 165.1 | 0 | 0 | 0 | 0 | 110.8 | I1945 G2064 R2068 | I1945-S2066 WeakPolarHBondContact O-CA 3.25Å; G2064-S2066 PolarHBondContact O-N 2.87Å; S2066-R2068 WeakPolarHBondContact O-CB 3.48Å; S2066-R2068 VanDerWaalsContact O-CG 3.32Å; S2066-R2068 WeakPolarHBondContact O-CG 3.24Å; S2066-R2068 PolarHBondContact O-N 2.79Å; S2066-R2068 PolarHBondContact OG-NE 2.8Å; S2066-R2068 VanDerWaalsContact OG-NE 3.08Å |
| 2067 | Y | 59.9 | Low | 69.4 | Low | 24 Ų | 24 | 53.1 Ų | 53.1 | 9% | 0.094 | 29% | 0.288 | C | S | . | . | S | Bend | trans | -62.4 | 98.3 | -178.6 | -163.1 | -81.2 | 0 | 0 | 0 | 110.8 | P1944 I1945 D1947 P1958 F1960 D2070 L2071 | P1944-Y2067 HydrophobicContact CB-CD2 3.96Å; P1944-Y2067 HydrophobicContact CB-CE2 4.48Å; P1944-Y2067 HydrophobicContact CB-CG 4.33Å; P1944-Y2067 HydrophobicContact CG-CD2 4.47Å; P1944-Y2067 WeakPolarHBondContact O-CB 3.44Å; I1945-Y2067 PolarHBondContact O-N 2.83Å; D1947-Y2067 WeakPolarHBondContact OD1-CA 3.39Å; P1958-Y2067 HydrophobicContact CB-CE2 4.14Å; P1958-Y2067 HydrophobicContact CG-CE2 4.14Å; P1958-Y2067 WeakPolarHBondContact CG-OH 3.47Å; F1960-Y2067 HydrophobicContact CD1-CE1 4.42Å; F1960-Y2067 HydrophobicContact CE1-CE1 4.33Å; Y2067-D2070 PolarHBondContact OH-OD2 3.38Å; Y2067-D2070 VanDerWaalsContact OH-OD2 3.12Å; Y2067-L2071 WeakPolarHBondContact O-CD1 3.45Å |
| 2068 | R | 58.3 | Low | 69.6 | Low | 103 Ų | 103 | 56.8 Ų | 56.8 | 39% | 0.389 | 31% | 0.308 | S | S | . | . | trans | -139.8 | -11.6 | -165.7 | -73.1 | -171.7 | -172.5 | -163.5 | 1.8 | 116.2 | Q2060 S2066 D2070 T2074 | Q2060-R2068 VanDerWaalsContact CD-NH2 3.34Å; S2066-R2068 WeakPolarHBondContact O-CB 3.48Å; S2066-R2068 VanDerWaalsContact O-CG 3.32Å; S2066-R2068 WeakPolarHBondContact O-CG 3.24Å; S2066-R2068 PolarHBondContact O-N 2.79Å; S2066-R2068 PolarHBondContact OG-NE 2.8Å; S2066-R2068 VanDerWaalsContact OG-NE 3.08Å; R2068-D2070 VanDerWaalsContact C-N 3.29Å; R2068-D2070 PolarHBondContact O-N 2.54Å; R2068-T2074 HydrophobicContact CG-CG2 4.12Å | ||
| 2069 | R | 59.2 | Low | 69.8 | Low | 175 Ų | 175 | 56 Ų | 56 | 66% | 0.66 | 30% | 0.304 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -65.4 | -35.6 | -170.8 | -57.7 | -174 | -163.7 | -165.6 | 6.9 | 112.3 | D1947 | D1947-R2069 IonicContact OD2-CZ 3.33Å; D1947-R2069 IonicContact OD2-NE 3.75Å; D1947-R2069 PolarHBondContact OD2-NE 2.82Å; D1947-R2069 IonicContact OD2-NH2 3.71Å; D1947-R2069 PolarHBondContact OD2-NH2 2.98Å |
| 2070 | D | 62.1 | Low | 70.5 | Confident | 82 Ų | 82 | 56 Ų | 56 | 44% | 0.439 | 30% | 0.304 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -104.4 | 3.2 | -171 | -43.6 | -47.9 | 0 | 0 | 0 | 113.4 | F1960 Y2067 R2068 | F1960-D2070 HydrophobicContact CZ-CB 4.49Å; Y2067-D2070 PolarHBondContact OH-OD2 3.38Å; Y2067-D2070 VanDerWaalsContact OH-OD2 3.12Å; R2068-D2070 VanDerWaalsContact C-N 3.29Å; R2068-D2070 PolarHBondContact O-N 2.54Å |
| 2071 | L | 72.8 | Confident | 71.4 | Confident | 17 Ų | 17 | 49.7 Ų | 49.7 | 9% | 0.089 | 27% | 0.274 | C | S | . | . | trans | -102.9 | 116.3 | -174.6 | -56.6 | -171.9 | 0 | 0 | 0 | 111.9 | Y1941 F1960 Y1962 I2058 Y2067 T2073 | Y1941-L2071 HydrophobicContact CE2-CD1 4.19Å; Y1941-L2071 HydrophobicContact CE2-CD2 4.19Å; F1960-L2071 HydrophobicContact CE2-CD2 4.23Å; Y1962-L2071 HydrophobicContact CD2-CD1 4.46Å; Y1962-L2071 HydrophobicContact CD2-CD2 3.76Å; Y1962-L2071 HydrophobicContact CE2-CB 4.16Å; Y1962-L2071 HydrophobicContact CE2-CD2 4.15Å; Y1962-L2071 HydrophobicContact CG-CD2 3.98Å; I2058-L2071 HydrophobicContact CD1-CD1 3.7Å; Y2067-L2071 WeakPolarHBondContact O-CD1 3.45Å; L2071-T2073 PolarHBondContact O-N 3.37Å; L2071-T2073 VanDerWaalsContact O-N 3.13Å | ||
| 2072 | N | 71.6 | Confident | 72.4 | Confident | 79 Ų | 79 | 50 Ų | 50 | 42% | 0.422 | 27% | 0.271 | S | S | . | . | S | Bend | trans | -61.1 | -26.2 | -174.9 | -54.6 | 66.7 | 0 | 0 | 0 | 113.7 | Y1962 K1966 I1971 N1973 | Y1962-N2072 PolarHBondContact OH-N 3.08Å; K1966-N2072 HydrophobicContact CD-CB 4.5Å; K1966-N2072 WeakPolarHBondContact CD-O 3.22Å; K1966-N2072 WeakPolarHBondContact CE-O 3.26Å; K1966-N2072 PolarHBondContact NZ-O 3.21Å; I1971-N2072 HydrophobicContact CD1-CB 4.12Å; N1973-N2072 PolarHBondContact ND2-OD1 2.99Å |
| 2073 | T | 77.9 | Confident | 73.8 | Confident | 7 Ų | 7 | 49.4 Ų | 49.4 | 4% | 0.043 | 26% | 0.263 | C | S | . | . | trans | -150.6 | 152.4 | 172.7 | -144.1 | 0 | 0 | 0 | 0 | 111.7 | V1938 Y1962 A1964 K1966 L2071 T2075 | V1938-T2073 HydrophobicContact CG2-CG2 3.84Å; V1938-T2073 WeakPolarHBondContact CG2-O 3.43Å; Y1962-T2073 PolarHBondContact OH-N 3.49Å; Y1962-T2073 PolarHBondContact OH-O 2.87Å; A1964-T2073 HydrophobicContact CB-CG2 4.19Å; K1966-T2073 VanDerWaalsContact NZ-CB 3.29Å; K1966-T2073 PolarHBondContact NZ-OG1 3.41Å; L2071-T2073 PolarHBondContact O-N 3.37Å; L2071-T2073 VanDerWaalsContact O-N 3.13Å; T2073-T2075 WeakPolarHBondContact CG2-OG1 3.4Å; T2073-T2075 PolarHBondContact OG1-OG1 3.35Å | ||
| 2074 | T | 76 | Confident | 75.8 | Confident | 55 Ų | 55 | 45.5 Ų | 45.5 | 34% | 0.337 | 22% | 0.222 | S | C | . | . | trans | -126.4 | 9.6 | 172.6 | 44.9 | 0 | 0 | 0 | 0 | 112.3 | R2068 | R2068-T2074 HydrophobicContact CG-CG2 4.12Š| ||
| 2075 | T | 82.4 | Confident | 77.3 | Confident | 62 Ų | 62 | 44.8 Ų | 44.8 | 38% | 0.38 | 21% | 0.212 | S | C | . | . | P | Polyproline II helix | trans | -66.2 | 131.7 | 168.7 | 46.9 | 0 | 0 | 0 | 0 | 110 | D1936 G1937 V1938 T2073 | D1936-T2075 WeakPolarHBondContact CB-OG1 3.03Å; G1937-T2075 CarbonylContact C-O 3.54Å; G1937-T2075 WeakPolarHBondContact CA-O 3.18Å; G1937-T2075 PolarHBondContact N-OG1 3.21Å; V1938-T2075 PolarHBondContact N-O 2.8Å; T2073-T2075 WeakPolarHBondContact CG2-OG1 3.4Å; T2073-T2075 PolarHBondContact OG1-OG1 3.35Å |
| 2076 | G | 85 | Confident | 78.7 | Confident | 9 Ų | 9 | 38 Ų | 38 | 9% | 0.093 | 19% | 0.187 | C | C | . | . | B | Isolated β-bridge | trans | -65.3 | 159.8 | 171.1 | 0 | 0 | 0 | 0 | 0 | 111.9 | G1909 G2056 | G1909-G2076 WeakPolarHBondContact O-CA 3.21Å; G1909-G2076 PolarHBondContact O-N 2.82Å; G2056-G2076 CarbonylContact O-C 3.51Å; G2056-G2076 VanDerWaalsContact O-CA 3.23Å; G2056-G2076 WeakPolarHBondContact O-CA 3.22Å |
| 2077 | L | 92.6 | Very high | 79.7 | Confident | 1 Ų | 1 | 38.6 Ų | 38.6 | 1% | 0.005 | 19% | 0.188 | C | C | . | . | P | Polyproline II helix | trans | -66.6 | 128.7 | 170 | -177.1 | 65.8 | 0 | 0 | 0 | 109.7 | F1907 G1909 V1930 T1932 I1939 G2056 V2081 | F1907-L2077 CarbonylContact C-O 3.53Å; F1907-L2077 VanDerWaalsContact C-O 3.31Å; F1907-L2077 HydrophobicContact CB-CB 4.37Å; F1907-L2077 WeakPolarHBondContact CB-O 3.47Å; F1907-L2077 HydrophobicContact CD2-CD2 4.39Å; G1909-L2077 WeakPolarHBondContact CA-O 2.98Å; G1909-L2077 PolarHBondContact N-O 2.91Å; V1930-L2077 HydrophobicContact CG1-CD1 4.37Å; V1930-L2077 HydrophobicContact CG1-CD2 4.33Å; T1932-L2077 HydrophobicContact CG2-CD1 4.27Å; I1939-L2077 HydrophobicContact CG1-CD1 4.47Å; G2056-L2077 PolarHBondContact O-N 3.07Å; L2077-V2081 HydrophobicContact CD2-CG2 3.55Å |
| 2078 | N | 90.6 | Very high | 80.3 | Confident | 79 Ų | 79 | 37.9 Ų | 37.9 | 42% | 0.422 | 19% | 0.188 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -101.4 | 100.2 | 160.4 | -177.8 | 0.7 | 0 | 0 | 0 | 107 | F1907 T1932 Q2108 | F1907-N2078 WeakPolarHBondContact O-CA 3.14Å; T1932-N2078 PolarHBondContact OG1-O 2.83Å; N2078-Q2108 PolarHBondContact OD1-NE2 2.86Å |
| 2079 | G | 92.2 | Very high | 81.2 | Confident | 0 Ų | 0 | 36.3 Ų | 36.3 | 0% | 0 | 19% | 0.186 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 161.9 | -168.5 | -163 | 0 | 0 | 0 | 0 | 0 | 112.4 | F1907 L1931 Q2108 | F1907-G2079 PolarHBondContact N-O 2.89Å; F1907-G2079 PolarHBondContact O-N 3.06Å; L1931-G2079 CarbonylContact O-C 3.45Å; L1931-G2079 WeakPolarHBondContact O-CA 3.46Å; G2079-Q2108 VanDerWaalsContact C-OE1 3.27Å |
| 2080 | C | 93 | Very high | 82.2 | Confident | 0 Ų | 0 | 28.6 Ų | 28.6 | 0% | 0 | 16% | 0.158 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.2 | 148.6 | 174.4 | -56.7 | 0 | 0 | 0 | 0 | 110.9 | R1905 L1931 W1997 C2106 Q2108 | R1905-C2080 VanDerWaalsContact O-CA 3.31Å; R1905-C2080 WeakPolarHBondContact O-CA 3.19Å; L1931-C2080 HydrophobicContact CB-CB 4.42Å; L1931-C2080 PolarHBondContact N-O 2.81Å; L1931-C2080 PolarHBondContact O-N 2.68Å; W1997-C2080 HydrophobicContact CH2-CB 3.62Å; W1997-C2080 HydrophobicContact CZ2-CB 4.41Å; W1997-C2080 HydrophobicContact CZ3-CB 4.31Å; C2080-C2106 HydrophobicContact CB-CB 3.85Å; C2080-C2106 WeakPolarHBondContact CB-SG 3.42Å; C2080-C2106 WeakPolarHBondContact SG-CA 3.5Å; C2080-C2106 WeakPolarHBondContact SG-CB 3.23Å; C2080-C2106 CovalentContact SG-SG 2.03Å; C2080-C2106 PolarHBondContact SG-SG 2.61Å; C2080-Q2108 PolarHBondContact SG-OE1 3.49Å; C2080-Q2108 VanDerWaalsContact SG-OE1 3.34Å |
| 2081 | V | 93.3 | Very high | 83.3 | Confident | 0 Ų | 0 | 25.9 Ų | 25.9 | 0% | 0 | 14% | 0.144 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.5 | 140.6 | 166 | -175.4 | 0 | 0 | 0 | 0 | 107.1 | R1905 F1907 E1929 I1939 I2055 L2077 F2093 | R1905-V2081 PolarHBondContact N-O 3Å; R1905-V2081 PolarHBondContact O-N 2.86Å; F1907-V2081 HydrophobicContact CD2-CG2 4.49Å; F1907-V2081 HydrophobicContact CE2-CB 4.45Å; F1907-V2081 HydrophobicContact CE2-CG2 4.15Å; E1929-V2081 CarbonylContact O-C 3.52Å; E1929-V2081 WeakPolarHBondContact O-CA 2.99Å; I1939-V2081 HydrophobicContact CG2-CG2 4.44Å; I2055-V2081 HydrophobicContact CG2-CB 4.21Å; I2055-V2081 HydrophobicContact CG2-CG1 4.31Å; I2055-V2081 HydrophobicContact CG2-CG2 3.98Å; L2077-V2081 HydrophobicContact CD2-CG2 3.55Å; V2081-F2093 HydrophobicContact CB-CE2 4.39Å; V2081-F2093 HydrophobicContact CB-CZ 4.41Å; V2081-F2093 HydrophobicContact CG1-CE2 4.24Å; V2081-F2093 HydrophobicContact CG1-CZ 3.96Å |
| 2082 | R | 88.4 | Confident | 83.7 | Confident | 22 Ų | 22 | 25.9 Ų | 25.9 | 8% | 0.083 | 14% | 0.144 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -138.3 | 169.7 | 169.7 | 78 | -179 | -168.6 | 137.2 | 7.4 | 112.7 | H1903 V1904 E1929 W1997 L2084 | H1903-R2082 CarbonylContact O-C 3.55Å; H1903-R2082 WeakPolarHBondContact O-CA 3.34Å; H1903-R2082 VanDerWaalsContact O-CB 3.3Å; H1903-R2082 WeakPolarHBondContact O-CB 3.35Å; V1904-R2082 HydrophobicContact CB-CB 4.2Å; V1904-R2082 HydrophobicContact CG1-CB 4.27Å; V1904-R2082 HydrophobicContact CG2-CB 3.74Å; E1929-R2082 HydrophobicContact CB-CG 3.61Å; E1929-R2082 PolarHBondContact N-O 3Å; E1929-R2082 PolarHBondContact O-N 2.96Å; E1929-R2082 IonicContact OE1-CZ 3.01Å; E1929-R2082 IonicContact OE1-NE 2.97Å; E1929-R2082 IonicContact OE1-NH2 2.7Å; E1929-R2082 PolarHBondContact OE1-NH2 2.82Å; E1929-R2082 IonicContact OE2-CZ 3.32Å; E1929-R2082 IonicContact OE2-NE 3.63Å; E1929-R2082 PolarHBondContact OE2-NE 2.85Å; E1929-R2082 IonicContact OE2-NH2 3.59Å; E1929-R2082 PolarHBondContact OE2-NH2 2.86Å; W1997-R2082 HydrophobicContact CD2-CG 4.39Å; W1997-R2082 HydrophobicContact CE3-CG 3.74Å; W1997-R2082 HydrophobicContact CH2-CB 3.95Å; W1997-R2082 HydrophobicContact CH2-CG 3.81Å; W1997-R2082 HydrophobicContact CZ2-CG 4.44Å; W1997-R2082 HydrophobicContact CZ3-CB 3.87Å; W1997-R2082 HydrophobicContact CZ3-CG 3.43Å; W1997-R2082 VanDerWaalsContact CZ3-CG 3.43Å; R2082-L2084 VanDerWaalsContact C-N 3.28Å; R2082-L2084 PolarHBondContact O-N 3.37Å |
| 2083 | N | 86.4 | Confident | 84.4 | Confident | 28 Ų | 28 | 22.2 Ų | 22.2 | 15% | 0.15 | 12% | 0.124 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 52 | 44 | 169.3 | -69.2 | -11.1 | 0 | 0 | 0 | 112.9 | H1903 L1928 E1929 F2085 | H1903-N2083 PolarHBondContact CD2-OD1 2.79Å; H1903-N2083 PolarHBondContact O-N 2.8Å; L1928-N2083 WeakPolarHBondContact CA-O 2.69Å; E1929-N2083 HydrophobicContact CG-CB 4.46Å; E1929-N2083 PolarHBondContact OE1-ND2 2.9Å; N2083-F2085 HydrophobicContact CB-CD2 4.46Å; N2083-F2085 HydrophobicContact CB-CE2 4Å; N2083-F2085 WeakPolarHBondContact O-CD2 3.42Å; N2083-F2085 PolarHBondContact O-N 2.91Å |
| 2084 | L | 90.3 | Very high | 84.4 | Confident | 1 Ų | 1 | 23 Ų | 23 | 1% | 0.005 | 13% | 0.13 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -73.8 | 106.7 | 173.4 | 175.9 | 63.1 | 0 | 0 | 0 | 109.3 | V1926 S1927 L1928 L1940 L2053 I2055 R2082 I2086 V2091 F2093 | V1926-L2084 HydrophobicContact CG1-CD1 3.86Å; S1927-L2084 CarbonylContact O-C 3.57Å; S1927-L2084 WeakPolarHBondContact O-CA 3.39Å; L1928-L2084 HydrophobicContact CB-CB 4.41Å; L1928-L2084 HydrophobicContact CB-CD1 3.89Å; L1928-L2084 HydrophobicContact CD2-CD1 3.88Å; L1928-L2084 HydrophobicContact CG-CD1 4.5Å; L1940-L2084 HydrophobicContact CD1-CD1 4.26Å; L2053-L2084 HydrophobicContact CD2-CD2 4.29Å; I2055-L2084 HydrophobicContact CD1-CD2 3.81Å; I2055-L2084 HydrophobicContact CG1-CD2 4.17Å; R2082-L2084 VanDerWaalsContact C-N 3.28Å; R2082-L2084 PolarHBondContact O-N 3.37Å; L2084-I2086 HydrophobicContact CD1-CG1 4.3Å; L2084-I2086 HydrophobicContact CG-CG1 4.41Å; L2084-V2091 HydrophobicContact CB-CB 4.35Å; L2084-V2091 HydrophobicContact CD2-CB 4.01Å; L2084-V2091 HydrophobicContact CD2-CG1 4.28Å; L2084-V2091 HydrophobicContact CD2-CG2 3.87Å; L2084-V2091 HydrophobicContact CG-CB 4.14Å; L2084-V2091 HydrophobicContact CG-CG2 3.85Å; L2084-V2091 PolarHBondContact O-N 2.83Å; L2084-F2093 HydrophobicContact CB-CE1 3.97Å; L2084-F2093 HydrophobicContact CB-CE2 4.48Å; L2084-F2093 HydrophobicContact CB-CZ 3.57Å; L2084-F2093 HydrophobicContact CD2-CE1 3.73Å; L2084-F2093 HydrophobicContact CD2-CZ 4.05Å; L2084-F2093 HydrophobicContact CG-CZ 4.48Å |
| 2085 | F | 84.8 | Confident | 84.5 | Confident | 13 Ų | 13 | 25.5 Ų | 25.5 | 6% | 0.057 | 14% | 0.141 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.7 | 134.8 | 168.5 | -62.7 | -94.6 | 0 | 0 | 0 | 110 | E1898 V1926 S1927 N2083 G2088 M2089 I2090 R2262 | E1898-F2085 WeakPolarHBondContact OE2-CE1 3.34Å; E1898-F2085 WeakPolarHBondContact OE2-CZ 3.3Å; V1926-F2085 WeakPolarHBondContact CA-O 3.49Å; S1927-F2085 PolarHBondContact N-O 3.45Å; S1927-F2085 PolarHBondContact O-N 3.32Å; N2083-F2085 HydrophobicContact CB-CD2 4.46Å; N2083-F2085 HydrophobicContact CB-CE2 4Å; N2083-F2085 WeakPolarHBondContact O-CD2 3.42Å; N2083-F2085 PolarHBondContact O-N 2.91Å; F2085-G2088 WeakPolarHBondContact CD1-O 3.28Å; F2085-M2089 CarbonylContact C-O 3.44Å; F2085-M2089 VanDerWaalsContact CA-O 3.25Å; F2085-M2089 WeakPolarHBondContact CA-O 3.18Å; F2085-I2090 HydrophobicContact CD1-CB 3.95Å; F2085-I2090 HydrophobicContact CE1-CB 3.79Å; F2085-I2090 HydrophobicContact CE1-CD1 4.38Å; F2085-I2090 HydrophobicContact CE1-CG1 4.28Å; F2085-I2090 HydrophobicContact CZ-CB 4.44Å; F2085-I2090 HydrophobicContact CZ-CD1 4.21Å; F2085-I2090 HydrophobicContact CZ-CG1 4.45Å; F2085-R2262 VanDerWaalsContact CE2-NH1 3.25Å |
| 2086 | I | 83.7 | Confident | 84.6 | Confident | 24 Ų | 24 | 23.9 Ų | 23.9 | 12% | 0.123 | 13% | 0.132 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.6 | 119.8 | 171.3 | -54.6 | 175.6 | 0 | 0 | 0 | 106.5 | I1918 V1926 L2053 L2084 G2088 M2089 V2091 | I1918-I2086 HydrophobicContact CG1-CD1 4.23Å; I1918-I2086 HydrophobicContact CG1-CG2 4.34Å; V1926-I2086 HydrophobicContact CG2-CG1 4.36Å; V1926-I2086 HydrophobicContact CG2-CG2 4.36Å; L2053-I2086 HydrophobicContact CD2-CD1 3.64Å; L2084-I2086 HydrophobicContact CD1-CG1 4.3Å; L2084-I2086 HydrophobicContact CG-CG1 4.41Å; I2086-G2088 PolarHBondContact O-N 2.83Å; I2086-M2089 PolarHBondContact N-O 2.84Å; I2086-M2089 PolarHBondContact O-N 2.87Å; I2086-V2091 HydrophobicContact CD1-CG2 3.81Å; I2086-V2091 HydrophobicContact CG1-CG2 4.06Å |
| 2087 | N | 73.8 | Confident | 84.6 | Confident | 30 Ų | 30 | 25.7 Ų | 25.7 | 16% | 0.16 | 14% | 0.14 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 48.9 | 43.4 | -175.1 | -61.7 | -23.5 | 0 | 0 | 0 | 112.9 | V1862 W1924 N1925 M2089 | V1862-N2087 HydrophobicContact CG1-CB 3.95Å; V1862-N2087 HydrophobicContact CG2-CB 4.13Å; V1862-N2087 VanDerWaalsContact CG2-ND2 3.28Å; V1862-N2087 WeakPolarHBondContact CG2-ND2 3.2Å; W1924-N2087 VanDerWaalsContact CA-OD1 3.28Å; W1924-N2087 WeakPolarHBondContact CA-OD1 3.31Å; W1924-N2087 WeakPolarHBondContact CB-OD1 3.33Å; N1925-N2087 PolarHBondContact N-OD1 3.48Å; N1925-N2087 PolarHBondContact O-N 3.37Å; N1925-N2087 PolarHBondContact O-OD1 2.93Å; N1925-N2087 WeakPolarHBondContact OD1-CA 3.07Å; N1925-N2087 PolarHBondContact OD1-N 2.92Å; N2087-M2089 VanDerWaalsContact C-N 3.27Å; N2087-M2089 PolarHBondContact O-N 3.47Å |
| 2088 | G | 72.8 | Confident | 84.3 | Confident | 9 Ų | 9 | 28.6 Ų | 28.6 | 9% | 0.093 | 15% | 0.152 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 78.1 | -9.9 | -177.4 | 0 | 0 | 0 | 0 | 0 | 116.3 | N1925 F2085 I2086 | N1925-G2088 PolarHBondContact OD1-N 2.9Å; F2085-G2088 WeakPolarHBondContact CD1-O 3.28Å; I2086-G2088 PolarHBondContact O-N 2.83Å |
| 2089 | M | 76.3 | Confident | 84.1 | Confident | 69 Ų | 69 | 27.9 Ų | 27.9 | 34% | 0.34 | 15% | 0.15 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -91.5 | 129.4 | 178.3 | -63.9 | -171.8 | -71.1 | 0 | 0 | 112.2 | V1862 F2085 I2086 N2087 | V1862-M2089 HydrophobicContact CG1-CE 4.33Å; F2085-M2089 CarbonylContact C-O 3.44Å; F2085-M2089 VanDerWaalsContact CA-O 3.25Å; F2085-M2089 WeakPolarHBondContact CA-O 3.18Å; I2086-M2089 PolarHBondContact N-O 2.84Å; I2086-M2089 PolarHBondContact O-N 2.87Å; N2087-M2089 VanDerWaalsContact C-N 3.27Å; N2087-M2089 PolarHBondContact O-N 3.47Å |
| 2090 | I | 80.7 | Confident | 83.8 | Confident | 14 Ų | 14 | 32.4 Ų | 32.4 | 7% | 0.072 | 17% | 0.172 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -74 | 135.4 | 176.9 | -165.1 | 167.3 | 0 | 0 | 0 | 112.2 | F1875 E1898 A1901 H1903 F2085 | F1875-I2090 HydrophobicContact CE2-CG2 4.22Å; E1898-I2090 HydrophobicContact CB-CD1 4.39Å; A1901-I2090 HydrophobicContact CB-CD1 4.13Å; A1901-I2090 HydrophobicContact CB-CG1 4.31Å; A1901-I2090 HydrophobicContact CB-CG2 4.14Å; H1903-I2090 HydrophobicContact CB-CD1 3.98Å; F2085-I2090 HydrophobicContact CD1-CB 3.95Å; F2085-I2090 HydrophobicContact CE1-CB 3.79Å; F2085-I2090 HydrophobicContact CE1-CD1 4.38Å; F2085-I2090 HydrophobicContact CE1-CG1 4.28Å; F2085-I2090 HydrophobicContact CZ-CB 4.44Å; F2085-I2090 HydrophobicContact CZ-CD1 4.21Å; F2085-I2090 HydrophobicContact CZ-CG1 4.45Å |
| 2091 | V | 83.9 | Confident | 83.5 | Confident | 25 Ų | 25 | 36.4 Ų | 36.4 | 15% | 0.152 | 19% | 0.193 | C | C | . | . | P | Polyproline II helix | trans | -89 | 122.8 | 175.2 | -179.7 | 0 | 0 | 0 | 0 | 110 | F1915 L2084 I2086 F2093 | F1915-V2091 HydrophobicContact CD1-CG1 3.91Å; F1915-V2091 HydrophobicContact CE1-CG1 4.33Å; F1915-V2091 HydrophobicContact CG-CG1 4.17Å; L2084-V2091 HydrophobicContact CB-CB 4.35Å; L2084-V2091 HydrophobicContact CD2-CB 4.01Å; L2084-V2091 HydrophobicContact CD2-CG1 4.28Å; L2084-V2091 HydrophobicContact CD2-CG2 3.87Å; L2084-V2091 HydrophobicContact CG-CB 4.14Å; L2084-V2091 HydrophobicContact CG-CG2 3.85Å; L2084-V2091 PolarHBondContact O-N 2.83Å; I2086-V2091 HydrophobicContact CD1-CG2 3.81Å; I2086-V2091 HydrophobicContact CG1-CG2 4.06Å; V2091-F2093 HydrophobicContact CG1-CD1 4.19Å; V2091-F2093 HydrophobicContact CG1-CE1 4.27Å; V2091-F2093 PolarHBondContact O-N 2.77Å |
| 2092 | D | 82 | Confident | 83.2 | Confident | 17 Ų | 17 | 37.1 Ų | 37.1 | 9% | 0.091 | 20% | 0.198 | C | C | . | . | trans | -77.4 | 100.7 | 176.1 | 176.3 | 27 | 0 | 0 | 0 | 111.7 | F1875 N1876 A1901 G1902 S2094 N2095 | F1875-D2092 HydrophobicContact CD1-CB 3.95Å; F1875-D2092 HydrophobicContact CD2-CB 4.38Å; F1875-D2092 HydrophobicContact CE1-CB 4.16Å; F1875-D2092 HydrophobicContact CG-CB 4.06Å; F1875-D2092 HydrophobicContact CZ-CB 4.45Å; N1876-D2092 VanDerWaalsContact ND2-CG 3.33Å; N1876-D2092 PolarHBondContact ND2-OD1 2.92Å; N1876-D2092 PolarHBondContact ND2-OD2 2.73Å; A1901-D2092 HydrophobicContact CB-CB 4.21Å; G1902-D2092 PolarHBondContact N-OD1 3.4Å; D2092-S2094 PolarHBondContact O-N 2.93Å; D2092-S2094 VanDerWaalsContact O-N 3.14Å; D2092-S2094 WeakPolarHBondContact OD1-CB 3.49Å; D2092-S2094 PolarHBondContact OD1-N 2.86Å; D2092-S2094 PolarHBondContact OD1-OG 2.67Å; D2092-N2095 PolarHBondContact O-N 2.7Å; D2092-N2095 PolarHBondContact OD2-ND2 2.79Å | ||
| 2093 | F | 86.5 | Confident | 82.9 | Confident | 1 Ų | 1 | 40.6 Ų | 40.6 | 0% | 0.004 | 22% | 0.215 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -69.6 | -3.5 | 175.8 | -59 | -38 | 0 | 0 | 0 | 114.2 | G1902 R1905 F1915 I2055 V2081 L2084 V2091 N2095 L2104 | G1902-F2093 WeakPolarHBondContact O-CA 3.49Å; G1902-F2093 WeakPolarHBondContact O-CB 3.29Å; G1902-F2093 PolarHBondContact O-N 3.33Å; R1905-F2093 HydrophobicContact CB-CB 3.87Å; R1905-F2093 HydrophobicContact CB-CD2 3.69Å; R1905-F2093 HydrophobicContact CB-CE2 4.37Å; R1905-F2093 HydrophobicContact CB-CG 3.97Å; R1905-F2093 HydrophobicContact CG-CB 4.41Å; R1905-F2093 PolarHBondContact NH1-O 3.29Å; F1915-F2093 HydrophobicContact CE1-CD1 4.05Å; F1915-F2093 AromaticContact CE2-CD1 3.9Å; F1915-F2093 HydrophobicContact CE2-CD1 3.9Å; F1915-F2093 HydrophobicContact CE2-CE1 4.22Å; F1915-F2093 HydrophobicContact CZ-CB 4.27Å; F1915-F2093 AromaticContact CZ-CD1 3.5Å; F1915-F2093 HydrophobicContact CZ-CD1 3.5Å; F1915-F2093 HydrophobicContact CZ-CE1 4.28Å; F1915-F2093 HydrophobicContact CZ-CG 4.32Å; I2055-F2093 HydrophobicContact CG1-CE1 4.42Å; I2055-F2093 HydrophobicContact CG2-CZ 4.5Å; V2081-F2093 HydrophobicContact CB-CE2 4.39Å; V2081-F2093 HydrophobicContact CB-CZ 4.41Å; V2081-F2093 HydrophobicContact CG1-CE2 4.24Å; V2081-F2093 HydrophobicContact CG1-CZ 3.96Å; L2084-F2093 HydrophobicContact CB-CE1 3.97Å; L2084-F2093 HydrophobicContact CB-CE2 4.48Å; L2084-F2093 HydrophobicContact CB-CZ 3.57Å; L2084-F2093 HydrophobicContact CD2-CE1 3.73Å; L2084-F2093 HydrophobicContact CD2-CZ 4.05Å; L2084-F2093 HydrophobicContact CG-CZ 4.48Å; V2091-F2093 HydrophobicContact CG1-CD1 4.19Å; V2091-F2093 HydrophobicContact CG1-CE1 4.27Å; V2091-F2093 PolarHBondContact O-N 2.77Å; F2093-N2095 VanDerWaalsContact C-N 3.31Å; F2093-L2104 HydrophobicContact CB-CD1 4.32Å |
| 2094 | S | 77.7 | Confident | 82.7 | Confident | 24 Ų | 24 | 42.8 Ų | 42.8 | 17% | 0.168 | 23% | 0.226 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -67.4 | -33.1 | 175.7 | -47.9 | 0 | 0 | 0 | 0 | 112.3 | N1876 H1895 G1902 D2092 P2096 | N1876-S2094 PolarHBondContact ND2-OG 3.02Å; N1876-S2094 VanDerWaalsContact ND2-OG 3.13Å; N1876-S2094 WeakPolarHBondContact OD1-CB 3.45Å; N1876-S2094 PolarHBondContact OD1-OG 3.29Å; H1895-S2094 PolarHBondContact CE1-OG 2.71Å; H1895-S2094 PolarHBondContact ND1-OG 3.17Å; G1902-S2094 VanDerWaalsContact CA-OG 3.25Å; G1902-S2094 WeakPolarHBondContact CA-OG 3Å; G1902-S2094 PolarHBondContact N-OG 2.68Å; D2092-S2094 PolarHBondContact O-N 2.93Å; D2092-S2094 VanDerWaalsContact O-N 3.14Å; D2092-S2094 WeakPolarHBondContact OD1-CB 3.49Å; D2092-S2094 PolarHBondContact OD1-N 2.86Å; D2092-S2094 PolarHBondContact OD1-OG 2.67Å; S2094-P2096 VanDerWaalsContact O-CD 3.23Å; S2094-P2096 WeakPolarHBondContact O-CD 3.13Å |
| 2095 | N | 78.9 | Confident | 82.3 | Confident | 107 Ų | 107 | 43.6 Ų | 43.6 | 57% | 0.572 | 24% | 0.235 | S | C | * | . | S | Bend | trans | -121.6 | 62.1 | -167.5 | -63.7 | -68.7 | 0 | 0 | 0 | 113.2 | N1876 D2092 F2093 | N1876-N2095 PolarHBondContact OD1-ND2 2.95Å; D2092-N2095 PolarHBondContact O-N 2.7Å; D2092-N2095 PolarHBondContact OD2-ND2 2.79Å; F2093-N2095 VanDerWaalsContact C-N 3.31Å |
| 2096 | P | 83.5 | Confident | 82.3 | Confident | 28 Ų | 28 | 43.1 Ų | 43.1 | 18% | 0.182 | 23% | 0.233 | C | C | . | . | trans | -69.4 | 144.7 | 176.6 | 30.8 | -35.5 | 0 | 0 | 0 | 112.1 | A1913 W1914 F1915 S2094 K2098 V2099 | A1913-P2096 HydrophobicContact CB-CB 4.23Å; W1914-P2096 CarbonylContact O-C 3.57Å; W1914-P2096 WeakPolarHBondContact O-CA 3.33Å; F1915-P2096 HydrophobicContact CD1-CB 4.48Å; F1915-P2096 HydrophobicContact CE1-CB 3.81Å; F1915-P2096 HydrophobicContact CE2-CB 4.49Å; F1915-P2096 HydrophobicContact CZ-CB 3.81Å; S2094-P2096 VanDerWaalsContact O-CD 3.23Å; S2094-P2096 WeakPolarHBondContact O-CD 3.13Å; P2096-K2098 VanDerWaalsContact C-N 3.29Å; P2096-K2098 PolarHBondContact O-N 2.73Å; P2096-V2099 HydrophobicContact CB-CB 4.27Å; P2096-V2099 HydrophobicContact CG-CB 3.87Å; P2096-V2099 HydrophobicContact CG-CG1 3.91Å; P2096-V2099 HydrophobicContact CG-CG2 4.47Å | ||
| 2097 | L | 85.3 | Confident | 82 | Confident | 48 Ų | 48 | 49.8 Ų | 49.8 | 25% | 0.251 | 26% | 0.257 | S | S | . | . | S | Bend | trans | -59.5 | -40.1 | 178.1 | -60 | 179.7 | 0 | 0 | 0 | 112.3 | S1779 A1781 L1782 W1914 E1916 | S1779-L2097 WeakPolarHBondContact OG-CD2 3.32Å; A1781-L2097 HydrophobicContact CB-CD1 4.03Å; L1782-L2097 HydrophobicContact CB-CB 4.4Å; L1782-L2097 HydrophobicContact CD1-CB 4.41Å; W1914-L2097 HydrophobicContact CB-CB 4.17Å; W1914-L2097 PolarHBondContact O-N 2.82Å; E1916-L2097 HydrophobicContact CG-CD1 4.47Å; E1916-L2097 WeakPolarHBondContact OE1-CD1 3.47Å |
| 2098 | K | 85.5 | Confident | 82.4 | Confident | 62 Ų | 62 | 50.7 Ų | 50.7 | 27% | 0.27 | 26% | 0.26 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -155 | 144.9 | 175.3 | -164.5 | 174.3 | -177.9 | -178.6 | 0 | 108.2 | L1782 L1786 W1912 W1914 P2096 | L1782-K2098 HydrophobicContact CD1-CB 4.01Å; L1782-K2098 HydrophobicContact CD1-CD 4.44Å; L1786-K2098 HydrophobicContact CD2-CD 4.22Å; W1912-K2098 HydrophobicContact CH2-CB 4.46Å; W1912-K2098 HydrophobicContact CH2-CD 3.89Å; W1912-K2098 HydrophobicContact CH2-CG 3.86Å; W1912-K2098 HydrophobicContact CZ3-CB 4.12Å; W1912-K2098 HydrophobicContact CZ3-CD 4.33Å; W1912-K2098 HydrophobicContact CZ3-CG 4.03Å; W1914-K2098 HydrophobicContact CB-CB 4.29Å; W1914-K2098 HydrophobicContact CD2-CB 4.03Å; W1914-K2098 HydrophobicContact CE3-CB 3.62Å; W1914-K2098 HydrophobicContact CE3-CD 3.96Å; W1914-K2098 HydrophobicContact CE3-CG 4.38Å; W1914-K2098 HydrophobicContact CG-CB 4.34Å; W1914-K2098 HydrophobicContact CH2-CD 4.24Å; W1914-K2098 HydrophobicContact CZ3-CB 4.3Å; W1914-K2098 HydrophobicContact CZ3-CD 3.77Å; W1914-K2098 PolarHBondContact N-O 3.03Å; P2096-K2098 VanDerWaalsContact C-N 3.29Å; P2096-K2098 PolarHBondContact O-N 2.73Å |
| 2099 | V | 87.9 | Confident | 82.9 | Confident | 63 Ų | 63 | 50.3 Ų | 50.3 | 38% | 0.382 | 26% | 0.256 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -149.2 | 146.4 | -176.1 | 61.6 | 0 | 0 | 0 | 0 | 112.1 | W1912 A1913 P2096 | W1912-V2099 WeakPolarHBondContact O-CA 3.44Å; W1912-V2099 WeakPolarHBondContact O-CG2 3.47Å; A1913-V2099 HydrophobicContact CB-CB 4.39Å; A1913-V2099 HydrophobicContact CB-CG2 3.95Å; P2096-V2099 HydrophobicContact CB-CB 4.27Å; P2096-V2099 HydrophobicContact CG-CB 3.87Å; P2096-V2099 HydrophobicContact CG-CG1 3.91Å; P2096-V2099 HydrophobicContact CG-CG2 4.47Å |
| 2100 | Q | 85.2 | Confident | 82.8 | Confident | 96 Ų | 96 | 49.9 Ų | 49.9 | 45% | 0.449 | 26% | 0.255 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.3 | 140.1 | 172 | -171.3 | 171.7 | 9.8 | 0 | 0 | 109.7 | G1911 W1912 S2102 | G1911-Q2100 CarbonylContact C-O 3.55Å; G1911-Q2100 WeakPolarHBondContact CA-O 3.38Å; W1912-Q2100 HydrophobicContact CD2-CB 4.19Å; W1912-Q2100 HydrophobicContact CG-CB 4.5Å; W1912-Q2100 HydrophobicContact CZ2-CB 3.85Å; W1912-Q2100 PolarHBondContact N-O 2.76Å; W1912-Q2100 PolarHBondContact O-N 2.64Å; Q2100-S2102 VanDerWaalsContact C-N 3.29Å; Q2100-S2102 PolarHBondContact O-N 3.4Å; Q2100-S2102 VanDerWaalsContact O-N 3.08Å |
| 2101 | N | 86.7 | Confident | 82.3 | Confident | 84 Ų | 84 | 54.5 Ų | 54.5 | 45% | 0.449 | 28% | 0.276 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | 42.5 | 45.1 | 172.6 | -57.4 | 1 | 0 | 0 | 0 | 115.7 | S1910 G1911 | S1910-N2101 PolarHBondContact OG-ND2 2.91Å; G1911-N2101 WeakPolarHBondContact CA-O 3.45Å |
| 2102 | S | 88 | Confident | 81.7 | Confident | 15 Ų | 15 | 55.3 Ų | 55.3 | 11% | 0.105 | 28% | 0.278 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -145.2 | 136.4 | -178 | 172.2 | 0 | 0 | 0 | 0 | 111.1 | R1905 S1906 F1907 Q2100 | R1905-S2102 WeakPolarHBondContact CD-OG 3.49Å; R1905-S2102 WeakPolarHBondContact CG-OG 3.31Å; R1905-S2102 PolarHBondContact NE-OG 2.93Å; R1905-S2102 PolarHBondContact NH2-O 2.67Å; S1906-S2102 VanDerWaalsContact O-CA 3.25Å; S1906-S2102 WeakPolarHBondContact O-CA 3.48Å; S1906-S2102 WeakPolarHBondContact O-CB 3.21Å; S1906-S2102 PolarHBondContact O-OG 3.24Å; F1907-S2102 WeakPolarHBondContact CD1-OG 3.49Å; F1907-S2102 WeakPolarHBondContact CE1-OG 3.4Å; Q2100-S2102 VanDerWaalsContact C-N 3.29Å; Q2100-S2102 PolarHBondContact O-N 3.4Å; Q2100-S2102 VanDerWaalsContact O-N 3.08Å |
| 2103 | E | 81.4 | Confident | 81.2 | Confident | 95 Ų | 95 | 56.1 Ų | 56.1 | 44% | 0.444 | 29% | 0.285 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.8 | 146.3 | -171.6 | -66.8 | 172 | -170.5 | 0 | 0 | 110.9 | R1905 S1906 R2107 | R1905-E2103 WeakPolarHBondContact CG-O 3.46Å; S1906-E2103 PolarHBondContact N-O 2.81Å; S1906-E2103 PolarHBondContact O-N 2.8Å; S1906-E2103 VanDerWaalsContact O-N 3.14Å; S1906-E2103 PolarHBondContact OG-O 3.45Å; E2103-R2107 IonicContact OE1-NH1 3Å; E2103-R2107 PolarHBondContact OE1-NH1 3.13Å; E2103-R2107 WeakPolarHBondContact OE2-CD 3.41Å; E2103-R2107 IonicContact OE2-CZ 3.81Å; E2103-R2107 IonicContact OE2-NE 3.77Å; E2103-R2107 IonicContact OE2-NH1 2.79Å; E2103-R2107 PolarHBondContact OE2-NH1 3.02Å |
| 2104 | L | 82.4 | Confident | 79.9 | Confident | 73 Ų | 73 | 62.1 Ų | 62.1 | 38% | 0.382 | 32% | 0.317 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -70.3 | 146.6 | 175.4 | -170.1 | 70.1 | 0 | 0 | 0 | 110.6 | V1904 F2093 | V1904-L2104 WeakPolarHBondContact O-CD1 3.41Å; F2093-L2104 HydrophobicContact CB-CD1 4.32Å |
| 2105 | G | 80.7 | Confident | 78.3 | Confident | 19 Ų | 19 | 63.9 Ų | 63.9 | 20% | 0.196 | 33% | 0.329 | C | S | . | . | S | Bend | trans | 81.7 | -176 | -170.2 | 0 | 0 | 0 | 0 | 0 | 112.4 | V1904 R1905 S1906 | V1904-G2105 PolarHBondContact O-N 3.04Å; R1905-G2105 CarbonylContact C-O 3.57Å; S1906-G2105 WeakPolarHBondContact CB-O 3.37Å; S1906-G2105 PolarHBondContact N-O 3.42Å; S1906-G2105 PolarHBondContact OG-O 3.1Å |
| 2106 | C | 86.1 | Confident | 76.1 | Confident | 2 Ų | 2 | 65.7 Ų | 65.7 | 1% | 0.014 | 34% | 0.339 | C | S | . | . | trans | -122.2 | 68.9 | -180 | -170 | 0 | 0 | 0 | 0 | 111.5 | V1904 C2080 Q2108 V2109 D2110 | V1904-C2106 HydrophobicContact CG1-CB 3.67Å; C2080-C2106 HydrophobicContact CB-CB 3.85Å; C2080-C2106 WeakPolarHBondContact CB-SG 3.42Å; C2080-C2106 WeakPolarHBondContact SG-CA 3.5Å; C2080-C2106 WeakPolarHBondContact SG-CB 3.23Å; C2080-C2106 CovalentContact SG-SG 2.03Å; C2080-C2106 PolarHBondContact SG-SG 2.61Å; C2106-Q2108 PolarHBondContact O-N 3.38Å; C2106-V2109 HydrophobicContact CB-CG2 4.09Å; C2106-V2109 PolarHBondContact O-N 2.93Å; C2106-D2110 VanDerWaalsContact C-OD1 3.23Å; C2106-D2110 WeakPolarHBondContact CA-OD1 3.48Å; C2106-D2110 PolarHBondContact N-OD1 3.38Å; C2106-D2110 VanDerWaalsContact N-OD1 3.09Å; C2106-D2110 PolarHBondContact N-OD2 3.33Å; C2106-D2110 PolarHBondContact O-N 2.95Å; C2106-D2110 VanDerWaalsContact O-OD1 3.06Å | ||
| 2107 | R | 77.9 | Confident | 73.6 | Confident | 164 Ų | 164 | 70.5 Ų | 70.5 | 62% | 0.619 | 37% | 0.373 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -48.3 | -24 | -174.5 | -162.4 | -172.9 | 76.4 | -160.5 | 3.1 | 115 | E2103 V2109 D2110 | E2103-R2107 IonicContact OE1-NH1 3Å; E2103-R2107 PolarHBondContact OE1-NH1 3.13Å; E2103-R2107 WeakPolarHBondContact OE2-CD 3.41Å; E2103-R2107 IonicContact OE2-CZ 3.81Å; E2103-R2107 IonicContact OE2-NE 3.77Å; E2103-R2107 IonicContact OE2-NH1 2.79Å; E2103-R2107 PolarHBondContact OE2-NH1 3.02Å; R2107-V2109 VanDerWaalsContact C-N 3.28Å; R2107-V2109 PolarHBondContact O-N 3.03Å; R2107-D2110 WeakPolarHBondContact CA-OD2 3.33Å; R2107-D2110 PolarHBondContact N-OD2 2.71Å |
| 2108 | Q | 81.8 | Confident | 71.2 | Confident | 49 Ų | 49 | 73.5 Ų | 73.5 | 23% | 0.229 | 39% | 0.393 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -63.1 | -28.7 | 174.5 | -67.2 | 167.2 | -22.5 | 0 | 0 | 113.4 | N2078 G2079 C2080 C2106 H2111 F2134 | N2078-Q2108 PolarHBondContact OD1-NE2 2.86Å; G2079-Q2108 VanDerWaalsContact C-OE1 3.27Å; C2080-Q2108 PolarHBondContact SG-OE1 3.49Å; C2080-Q2108 VanDerWaalsContact SG-OE1 3.34Å; C2106-Q2108 PolarHBondContact O-N 3.38Å; Q2108-H2111 PolarHBondContact O-CE1 3.27Å; Q2108-H2111 PolarHBondContact O-ND1 2.97Å; Q2108-F2134 HydrophobicContact CB-CE1 4.21Å; Q2108-F2134 HydrophobicContact CB-CZ 4.09Å |
| 2109 | V | 83.7 | Confident | 68.9 | Low | 2 Ų | 2 | 79.9 Ų | 79.9 | 1% | 0.012 | 42% | 0.424 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -135.6 | -17.3 | -174.2 | -55.4 | 0 | 0 | 0 | 0 | 115.4 | L1931 C2106 R2107 H2111 K2112 A2132 D2133 F2134 | L1931-V2109 HydrophobicContact CD2-CG1 3.89Å; L1931-V2109 HydrophobicContact CD2-CG2 3.88Å; C2106-V2109 HydrophobicContact CB-CG2 4.09Å; C2106-V2109 PolarHBondContact O-N 2.93Å; R2107-V2109 VanDerWaalsContact C-N 3.28Å; R2107-V2109 PolarHBondContact O-N 3.03Å; V2109-H2111 PolarHBondContact O-N 2.86Å; V2109-K2112 WeakPolarHBondContact O-CB 3.5Å; V2109-K2112 WeakPolarHBondContact O-CG 3.5Å; V2109-K2112 PolarHBondContact O-N 2.7Å; V2109-A2132 HydrophobicContact CB-CB 4.04Å; V2109-A2132 HydrophobicContact CG2-CB 3.93Å; V2109-A2132 WeakPolarHBondContact CG2-O 3.4Å; V2109-D2133 WeakPolarHBondContact CG1-O 2.99Å; V2109-F2134 HydrophobicContact CG1-CD1 4.15Å; V2109-F2134 HydrophobicContact CG1-CE1 4.3Å; V2109-F2134 HydrophobicContact CG1-CG 4.28Å |
| 2110 | D | 74.2 | Confident | 66.9 | Low | 60 Ų | 60 | 80.8 Ų | 80.8 | 32% | 0.321 | 45% | 0.446 | S | S | . | . | G | 310 helix | trans | -47.9 | -37 | -179.1 | -61.8 | -23.4 | 0 | 0 | 0 | 113.1 | C2106 R2107 K2112 C2113 D2114 | C2106-D2110 VanDerWaalsContact C-OD1 3.23Å; C2106-D2110 WeakPolarHBondContact CA-OD1 3.48Å; C2106-D2110 PolarHBondContact N-OD1 3.38Å; C2106-D2110 VanDerWaalsContact N-OD1 3.09Å; C2106-D2110 PolarHBondContact N-OD2 3.33Å; C2106-D2110 PolarHBondContact O-N 2.95Å; C2106-D2110 VanDerWaalsContact O-OD1 3.06Å; R2107-D2110 WeakPolarHBondContact CA-OD2 3.33Å; R2107-D2110 PolarHBondContact N-OD2 2.71Å; D2110-K2112 PolarHBondContact O-N 2.76Å; D2110-C2113 PolarHBondContact O-N 3.46Å; D2110-D2114 PolarHBondContact O-N 3.01Å |
| 2111 | H | 69.2 | Low | 64.5 | Low | 111 Ų | 111 | 81.8 Ų | 81.8 | 51% | 0.514 | 46% | 0.464 | S | S | . | . | G | 310 helix | trans | -54.5 | -17.2 | 176.3 | 72.7 | -91.6 | 0 | 0 | 0 | 115.2 | Q2108 V2109 | Q2108-H2111 PolarHBondContact O-CE1 3.27Å; Q2108-H2111 PolarHBondContact O-ND1 2.97Å; V2109-H2111 PolarHBondContact O-N 2.86Å |
| 2112 | K | 70.3 | Confident | 62.4 | Low | 41 Ų | 41 | 84 Ų | 84 | 18% | 0.178 | 48% | 0.475 | C | S | . | . | G | 310 helix | trans | -78.5 | -28.9 | 173.4 | -65.4 | -172.5 | 175.3 | -171.5 | 0 | 112.8 | V2109 D2110 K2124 A2132 D2133 F2134 H2135 G2136 | V2109-K2112 WeakPolarHBondContact O-CB 3.5Å; V2109-K2112 WeakPolarHBondContact O-CG 3.5Å; V2109-K2112 PolarHBondContact O-N 2.7Å; D2110-K2112 PolarHBondContact O-N 2.76Å; K2112-K2124 PolarHBondContact O-NZ 3.37Å; K2112-A2132 HydrophobicContact CB-CB 3.9Å; K2112-A2132 HydrophobicContact CD-CB 4.37Å; K2112-D2133 WeakPolarHBondContact CD-O 3.38Å; K2112-D2133 VanDerWaalsContact CE-O 3.25Å; K2112-D2133 WeakPolarHBondContact CE-O 3.49Å; K2112-D2133 PolarHBondContact NZ-O 2.72Å; K2112-F2134 PolarHBondContact NZ-O 3.37Å; K2112-H2135 VanDerWaalsContact NZ-N 3.12Å; K2112-H2135 PolarHBondContact NZ-O 2.87Å; K2112-G2136 VanDerWaalsContact CD-O 3.31Å; K2112-G2136 WeakPolarHBondContact CD-O 3.22Å |
| 2113 | C | 72.8 | Confident | 60.8 | Low | 35 Ų | 35 | 87.2 Ų | 87.2 | 24% | 0.236 | 50% | 0.497 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -80.9 | -41.6 | 171.2 | -69.2 | 0 | 0 | 0 | 0 | 110.7 | D2110 S2115 C2130 | D2110-C2113 PolarHBondContact O-N 3.46Å; C2113-S2115 PolarHBondContact O-N 3.33Å; C2113-C2130 HydrophobicContact CB-CB 3.85Å; C2113-C2130 WeakPolarHBondContact CB-SG 3.33Å; C2113-C2130 VanDerWaalsContact SG-C 3.57Å; C2113-C2130 WeakPolarHBondContact SG-CB 3.48Å; C2113-C2130 PolarHBondContact SG-O 2.85Å; C2113-C2130 VanDerWaalsContact SG-O 3.36Å; C2113-C2130 CovalentContact SG-SG 2.04Å; C2113-C2130 PolarHBondContact SG-SG 3.31Å |
| 2114 | D | 58.5 | Low | 59.8 | Low | 127 Ų | 127 | 85.8 Ų | 85.8 | 68% | 0.679 | 49% | 0.489 | S | S | * | . | S | Bend | trans | -68 | 5.1 | -176.3 | -68.5 | -28.7 | 0 | 0 | 0 | 116.6 | D2110 N2116 | D2110-D2114 PolarHBondContact O-N 3.01Å; D2114-N2116 PolarHBondContact O-N 3.2Å |
| 2115 | S | 44.2 | Very low | 59.2 | Low | 61 Ų | 61 | 82.6 Ų | 82.6 | 43% | 0.427 | 47% | 0.473 | S | S | . | . | trans | -72.7 | 100.4 | -166.9 | 70.5 | 0 | 0 | 0 | 0 | 113.8 | C2113 K2124 | C2113-S2115 PolarHBondContact O-N 3.33Å; S2115-K2124 VanDerWaalsContact OG-CE 3.26Å; S2115-K2124 WeakPolarHBondContact OG-CE 3.38Å; S2115-K2124 PolarHBondContact OG-NZ 3.12Å | ||
| 2116 | N | 32 | Very low | 58.4 | Low | 145 Ų | 145 | 83 Ų | 83 | 78% | 0.775 | 48% | 0.475 | S | S | * | . | trans | 76.7 | 77.1 | 167.2 | -62.1 | -29.1 | 0 | 0 | 0 | 118.4 | D2114 V2118 | D2114-N2116 PolarHBondContact O-N 3.2Å; N2116-V2118 VanDerWaalsContact C-N 3.32Å; N2116-V2118 PolarHBondContact O-N 3.22Å | ||
| 2117 | S | 31.5 | Very low | 57.8 | Low | 128 Ų | 128 | 86 Ų | 86 | 90% | 0.895 | 49% | 0.488 | S | S | * | . | trans | -68.7 | 89.3 | 146 | -177.9 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 2118 | V | 35.8 | Very low | 57.6 | Low | 112 Ų | 112 | 79.1 Ų | 79.1 | 68% | 0.679 | 47% | 0.468 | S | S | * | . | trans | -140.4 | 97.1 | 164 | -174.3 | 0 | 0 | 0 | 0 | 109 | N2116 | N2116-V2118 VanDerWaalsContact C-N 3.32Å; N2116-V2118 PolarHBondContact O-N 3.22Å | ||
| 2119 | E | 36.2 | Very low | 57.2 | Low | 196 Ų | 196 | 79.5 Ų | 79.5 | 92% | 0.916 | 47% | 0.47 | S | S | * | . | S | Bend | trans | 44.6 | 79.4 | 163.3 | -59.6 | -172.2 | 148.7 | 0 | 0 | 117.6 | ||
| 2120 | G | 45.7 | Very low | 56.9 | Low | 82 Ų | 82 | 81.2 Ų | 81.2 | 85% | 0.845 | 48% | 0.482 | S | S | * | . | S | Bend | trans | 117.9 | 8.4 | 146.1 | 0 | 0 | 0 | 0 | 0 | 119.2 | ||
| 2121 | S | 36.4 | Very low | 57.2 | Low | 117 Ų | 117 | 79.7 Ų | 79.7 | 82% | 0.818 | 47% | 0.473 | S | S | * | . | P | Polyproline II helix | trans | -101.9 | 148.8 | 166.9 | -170.8 | 0 | 0 | 0 | 0 | 110.9 | ||
| 2122 | L | 42 | Very low | 57.7 | Low | 130 Ų | 130 | 74.7 Ų | 74.7 | 68% | 0.681 | 45% | 0.451 | S | S | * | . | P | Polyproline II helix | trans | -66.5 | 163.8 | 171.1 | -76.7 | 77.8 | 0 | 0 | 0 | 110.8 | A2126 | L2122-A2126 HydrophobicContact CD2-CB 3.81Š|
| 2123 | S | 54.1 | Low | 58.4 | Low | 82 Ų | 82 | 74.2 Ų | 74.2 | 57% | 0.573 | 45% | 0.451 | S | S | * | . | P | Polyproline II helix | trans | -55.9 | 145.6 | 163.2 | 45 | 0 | 0 | 0 | 0 | 110.4 | C2125 | S2123-C2125 WeakPolarHBondContact CB-O 3.3Å; S2123-C2125 CarbonylContact O-C 3.57Å; S2123-C2125 PolarHBondContact O-N 2.93Å; S2123-C2125 PolarHBondContact OG-O 3.32Å |
| 2124 | K | 61.1 | Low | 58.9 | Low | 65 Ų | 65 | 75.1 Ų | 75.1 | 28% | 0.283 | 45% | 0.451 | S | S | . | . | S | Bend | trans | -53.2 | -30.1 | -179.2 | -74.2 | 171.7 | 166.5 | -174 | 0 | 113.9 | K2112 S2115 F2137 C2139 E2149 | K2112-K2124 PolarHBondContact O-NZ 3.37Å; S2115-K2124 VanDerWaalsContact OG-CE 3.26Å; S2115-K2124 WeakPolarHBondContact OG-CE 3.38Å; S2115-K2124 PolarHBondContact OG-NZ 3.12Å; K2124-F2137 HydrophobicContact CB-CE2 3.84Å; K2124-F2137 HydrophobicContact CB-CZ 4.19Å; K2124-F2137 HydrophobicContact CD-CD1 4.39Å; K2124-F2137 HydrophobicContact CD-CD2 4.32Å; K2124-F2137 HydrophobicContact CD-CE1 3.91Å; K2124-F2137 HydrophobicContact CD-CE2 3.84Å; K2124-F2137 HydrophobicContact CD-CZ 3.62Å; K2124-F2137 HydrophobicContact CG-CE2 4.25Å; K2124-F2137 HydrophobicContact CG-CZ 4.12Å; K2124-C2139 PolarHBondContact O-SG 2.93Å; K2124-C2139 VanDerWaalsContact O-SG 3.33Å; K2124-E2149 WeakPolarHBondContact O-CA 3.3Å; K2124-E2149 WeakPolarHBondContact O-CB 3.32Å |
| 2125 | C | 68.7 | Low | 59.9 | Low | 7 Ų | 7 | 74.3 Ų | 74.3 | 5% | 0.047 | 44% | 0.442 | C | S | . | . | S | Bend | trans | -114.4 | 114.5 | 167 | -43.6 | 0 | 0 | 0 | 0 | 105.7 | S2123 G2128 C2130 C2139 E2149 | S2123-C2125 WeakPolarHBondContact CB-O 3.3Å; S2123-C2125 CarbonylContact O-C 3.57Å; S2123-C2125 PolarHBondContact O-N 2.93Å; S2123-C2125 PolarHBondContact OG-O 3.32Å; C2125-G2128 WeakPolarHBondContact CB-O 3.3Å; C2125-C2130 VanDerWaalsContact SG-CA 3.52Å; C2125-C2130 VanDerWaalsContact SG-CB 3.57Å; C2125-C2139 WeakPolarHBondContact CA-SG 3.34Å; C2125-C2139 HydrophobicContact CB-CB 3.73Å; C2125-C2139 WeakPolarHBondContact CB-SG 3.32Å; C2125-C2139 WeakPolarHBondContact SG-CA 3.17Å; C2125-C2139 WeakPolarHBondContact SG-CB 3.21Å; C2125-C2139 CovalentContact SG-SG 2.03Å; C2125-C2139 PolarHBondContact SG-SG 3.26Å; C2125-E2149 WeakPolarHBondContact CA-O 3.44Å |
| 2126 | A | 64.5 | Low | 61.4 | Low | 28 Ų | 28 | 72.8 Ų | 72.8 | 23% | 0.231 | 44% | 0.436 | C | S | . | . | S | Bend | trans | -80.7 | -43.8 | -176.1 | 0 | 0 | 0 | 0 | 0 | 111.6 | L2122 E2149 | L2122-A2126 HydrophobicContact CD2-CB 3.81Å; A2126-E2149 PolarHBondContact N-O 3.25Å |
| 2127 | H | 72.9 | Confident | 63.6 | Low | 64 Ų | 64 | 70.2 Ų | 70.2 | 30% | 0.296 | 42% | 0.419 | S | S | . | . | S | Bend | trans | -127.7 | 63.7 | 176.5 | -59.5 | -78.2 | 0 | 0 | 0 | 109.6 | C2141 E2142 W2145 C2150 | H2127-C2141 CarbonylContact O-C 3.55Å; H2127-C2141 WeakPolarHBondContact O-CA 3.15Å; H2127-E2142 PolarHBondContact O-N 2.87Å; H2127-W2145 HydrophobicContact CB-CB 3.95Å; H2127-W2145 HydrophobicContact CB-CD2 3.59Å; H2127-W2145 HydrophobicContact CB-CE3 4.12Å; H2127-W2145 HydrophobicContact CB-CG 3.49Å; H2127-W2145 VanDerWaalsContact CB-CG 3.49Å; H2127-W2145 AromaticContact CD2-CD2 3.68Å; H2127-W2145 AromaticContact CD2-CE2 3.81Å; H2127-W2145 AromaticContact CD2-CE3 3.46Å; H2127-W2145 VanDerWaalsContact CD2-CE3 3.46Å; H2127-W2145 AromaticContact CD2-CH2 3.59Å; H2127-W2145 AromaticContact CD2-CZ2 3.79Å; H2127-W2145 AromaticContact CD2-CZ3 3.41Å; H2127-W2145 VanDerWaalsContact CD2-CZ3 3.41Å; H2127-W2145 WeakPolarHBondContact CD2-CZ3 3.49Å; H2127-W2145 AromaticContact CE1-CH2 3.92Å; H2127-W2145 AromaticContact CE1-CZ2 3.73Å; H2127-W2145 AromaticContact CG-CD2 3.53Å; H2127-W2145 AromaticContact CG-CE2 3.52Å; H2127-W2145 AromaticContact CG-CE3 3.84Å; H2127-W2145 AromaticContact CG-CZ2 3.84Å; H2127-W2145 AromaticContact CG-NE1 3.91Å; H2127-W2145 AromaticContact ND1-CE2 3.76Å; H2127-W2145 AromaticContact ND1-CZ2 3.8Å; H2127-W2145 AromaticContact NE2-CH2 3.46Å; H2127-W2145 WeakPolarHBondContact NE2-CH2 3.42Å; H2127-W2145 AromaticContact NE2-CZ2 3.74Å; H2127-W2145 AromaticContact NE2-CZ3 3.73Å; H2127-C2150 WeakPolarHBondContact CB-O 3.41Å; H2127-C2150 PolarHBondContact CD2-O 2.8Å; H2127-C2150 PolarHBondContact N-O 2.99Å; H2127-C2150 VanDerWaalsContact N-O 3.13Å; H2127-C2150 VanDerWaalsContact O-CB 3.32Å; H2127-C2150 WeakPolarHBondContact O-CB 3.41Å |
| 2128 | G | 73.4 | Confident | 66 | Low | 19 Ų | 19 | 70.3 Ų | 70.3 | 20% | 0.196 | 40% | 0.403 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 176.4 | 166 | -175.8 | 0 | 0 | 0 | 0 | 0 | 114.9 | C2125 V2140 | C2125-G2128 WeakPolarHBondContact CB-O 3.3Å; G2128-V2140 CarbonylContact C-O 3.51Å; G2128-V2140 WeakPolarHBondContact CA-O 3.27Å |
| 2129 | E | 74.9 | Confident | 68 | Low | 58 Ų | 58 | 65.5 Ų | 65.5 | 27% | 0.271 | 37% | 0.374 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.4 | 136.1 | 178.7 | -172.5 | 175.9 | 150.2 | 0 | 0 | 111.5 | H1903 I2131 C2139 V2140 | H1903-E2129 IonicContact CD2-OE1 3.3Å; H1903-E2129 IonicContact CE1-OE1 3.58Å; H1903-E2129 IonicContact NE2-OE1 3.64Å; H1903-E2129 PolarHBondContact NE2-OE1 3.08Å; H1903-E2129 IonicContact NE2-OE2 3.5Å; E2129-I2131 HydrophobicContact CG-CG1 4.39Å; E2129-C2139 CarbonylContact O-C 3.54Å; E2129-C2139 WeakPolarHBondContact O-CA 3.48Å; E2129-V2140 PolarHBondContact N-O 2.9Å; E2129-V2140 PolarHBondContact O-N 3.46Å |
| 2130 | C | 76.6 | Confident | 70 | Confident | 37 Ų | 37 | 58.9 Ų | 58.9 | 25% | 0.25 | 35% | 0.347 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.3 | 113.3 | 173.5 | -176.7 | 0 | 0 | 0 | 0 | 110.3 | C2113 C2125 | C2113-C2130 HydrophobicContact CB-CB 3.85Å; C2113-C2130 WeakPolarHBondContact CB-SG 3.33Å; C2113-C2130 VanDerWaalsContact SG-C 3.57Å; C2113-C2130 WeakPolarHBondContact SG-CB 3.48Å; C2113-C2130 PolarHBondContact SG-O 2.85Å; C2113-C2130 VanDerWaalsContact SG-O 3.36Å; C2113-C2130 CovalentContact SG-SG 2.04Å; C2113-C2130 PolarHBondContact SG-SG 3.31Å; C2125-C2130 VanDerWaalsContact SG-CA 3.52Å; C2125-C2130 VanDerWaalsContact SG-CB 3.57Å |
| 2131 | I | 80.6 | Confident | 71.6 | Confident | 28 Ų | 28 | 56 Ų | 56 | 14% | 0.144 | 31% | 0.314 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.5 | 116.1 | 179 | -58.1 | 170.7 | 0 | 0 | 0 | 108.1 | E2129 F2137 K2138 V2140 | E2129-I2131 HydrophobicContact CG-CG1 4.39Å; I2131-F2137 CarbonylContact O-C 3.54Å; I2131-F2137 WeakPolarHBondContact O-CA 3.32Å; I2131-K2138 PolarHBondContact N-O 3.26Å; I2131-K2138 PolarHBondContact O-N 2.74Å; I2131-V2140 HydrophobicContact CD1-CB 4.26Å; I2131-V2140 HydrophobicContact CD1-CG2 3.51Å |
| 2132 | A | 80.5 | Confident | 73.5 | Confident | 7 Ų | 7 | 54.6 Ų | 54.6 | 6% | 0.058 | 29% | 0.294 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.9 | 150.1 | 176.8 | 0 | 0 | 0 | 0 | 0 | 112 | W1997 V2109 K2112 F2137 | W1997-A2132 PolarHBondContact NE1-O 2.92Å; V2109-A2132 HydrophobicContact CB-CB 4.04Å; V2109-A2132 HydrophobicContact CG2-CB 3.93Å; V2109-A2132 WeakPolarHBondContact CG2-O 3.4Å; K2112-A2132 HydrophobicContact CB-CB 3.9Å; K2112-A2132 HydrophobicContact CD-CB 4.37Å; A2132-F2137 HydrophobicContact CB-CB 4.33Å |
| 2133 | D | 85 | Confident | 75.4 | Confident | 30 Ų | 30 | 48.9 Ų | 48.9 | 16% | 0.16 | 27% | 0.265 | C | S | . | . | trans | -133.2 | -171.2 | 172.8 | 63.8 | 34 | 0 | 0 | 0 | 110.2 | L1931 H1996 V2109 K2112 H2135 G2136 | L1931-D2133 HydrophobicContact CD1-CB 3.92Å; H1996-D2133 IonicContact CD2-OD2 2.7Å; V2109-D2133 WeakPolarHBondContact CG1-O 2.99Å; K2112-D2133 WeakPolarHBondContact CD-O 3.38Å; K2112-D2133 VanDerWaalsContact CE-O 3.25Å; K2112-D2133 WeakPolarHBondContact CE-O 3.49Å; K2112-D2133 PolarHBondContact NZ-O 2.72Å; D2133-H2135 PolarHBondContact O-N 3.33Å; D2133-H2135 WeakPolarHBondContact OD1-CA 3.49Å; D2133-H2135 PolarHBondContact OD1-N 3.04Å; D2133-G2136 PolarHBondContact N-O 2.72Å; D2133-G2136 PolarHBondContact OD1-N 3.24Å | ||
| 2134 | F | 82.7 | Confident | 76.6 | Confident | 55 Ų | 55 | 45 Ų | 45 | 24% | 0.241 | 24% | 0.238 | C | C | . | . | S | Bend | trans | -70.8 | -13 | -179.8 | -72.9 | -80 | 0 | 0 | 0 | 113.8 | L1931 Q1933 G1995 Q2108 V2109 K2112 | L1931-F2134 HydrophobicContact CD1-CD2 3.64Å; L1931-F2134 HydrophobicContact CD1-CE2 4.03Å; L1931-F2134 HydrophobicContact CD2-CD2 4.33Å; L1931-F2134 HydrophobicContact CD2-CE2 4.22Å; L1931-F2134 HydrophobicContact CG-CD2 3.88Å; L1931-F2134 HydrophobicContact CG-CE2 3.74Å; Q1933-F2134 HydrophobicContact CG-CD2 3.9Å; Q1933-F2134 HydrophobicContact CG-CE2 4Å; Q1933-F2134 HydrophobicContact CG-CG 4.2Å; Q1933-F2134 HydrophobicContact CG-CZ 4.43Å; G1995-F2134 WeakPolarHBondContact O-CB 3.33Å; G1995-F2134 PolarHBondContact O-N 2.95Å; Q2108-F2134 HydrophobicContact CB-CE1 4.21Å; Q2108-F2134 HydrophobicContact CB-CZ 4.09Å; V2109-F2134 HydrophobicContact CG1-CD1 4.15Å; V2109-F2134 HydrophobicContact CG1-CE1 4.3Å; V2109-F2134 HydrophobicContact CG1-CG 4.28Å; K2112-F2134 PolarHBondContact NZ-O 3.37Å |
| 2135 | H | 78.8 | Confident | 77.5 | Confident | 109 Ų | 109 | 44.5 Ų | 44.5 | 51% | 0.505 | 23% | 0.234 | S | C | . | . | S | Bend | trans | -106 | -44.3 | -177.2 | -58.6 | -73.4 | 0 | 0 | 0 | 113.9 | D1994 H1996 K2112 D2133 | D1994-H2135 PolarHBondContact O-NE2 2.71Å; H1996-H2135 AromaticContact CD2-CD2 3.6Å; H1996-H2135 AromaticContact CE1-CD2 3.39Å; H1996-H2135 PolarHBondContact CE1-CD2 3.39Å; H1996-H2135 AromaticContact CE1-NE2 3.75Å; H1996-H2135 AromaticContact CG-CD2 3.96Å; H1996-H2135 AromaticContact ND1-CD2 3.84Å; H1996-H2135 AromaticContact NE2-CD2 3.21Å; H1996-H2135 PolarHBondContact NE2-CD2 3.04Å; H1996-H2135 AromaticContact NE2-CG 3.7Å; K2112-H2135 VanDerWaalsContact NZ-N 3.12Å; K2112-H2135 PolarHBondContact NZ-O 2.87Å; D2133-H2135 PolarHBondContact O-N 3.33Å; D2133-H2135 WeakPolarHBondContact OD1-CA 3.49Å; D2133-H2135 PolarHBondContact OD1-N 3.04Å |
| 2136 | G | 75.1 | Confident | 78 | Confident | 29 Ų | 29 | 47.1 Ų | 47.1 | 30% | 0.299 | 24% | 0.243 | S | C | . | . | trans | -151.8 | -148.1 | -175.9 | 0 | 0 | 0 | 0 | 0 | 115.3 | K2112 D2133 | K2112-G2136 VanDerWaalsContact CD-O 3.31Å; K2112-G2136 WeakPolarHBondContact CD-O 3.22Å; D2133-G2136 PolarHBondContact N-O 2.72Å; D2133-G2136 PolarHBondContact OD1-N 3.24Å | ||
| 2137 | F | 80 | Confident | 78.3 | Confident | 92 Ų | 92 | 47.6 Ų | 47.6 | 40% | 0.404 | 25% | 0.25 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -147 | 154.9 | 166.8 | 75.5 | -83.7 | 0 | 0 | 0 | 110 | K2124 I2131 A2132 | K2124-F2137 HydrophobicContact CB-CE2 3.84Å; K2124-F2137 HydrophobicContact CB-CZ 4.19Å; K2124-F2137 HydrophobicContact CD-CD1 4.39Å; K2124-F2137 HydrophobicContact CD-CD2 4.32Å; K2124-F2137 HydrophobicContact CD-CE1 3.91Å; K2124-F2137 HydrophobicContact CD-CE2 3.84Å; K2124-F2137 HydrophobicContact CD-CZ 3.62Å; K2124-F2137 HydrophobicContact CG-CE2 4.25Å; K2124-F2137 HydrophobicContact CG-CZ 4.12Å; I2131-F2137 CarbonylContact O-C 3.54Å; I2131-F2137 WeakPolarHBondContact O-CA 3.32Å; A2132-F2137 HydrophobicContact CB-CB 4.33Å |
| 2138 | K | 80 | Confident | 78.2 | Confident | 129 Ų | 129 | 52 Ų | 52 | 56% | 0.561 | 28% | 0.276 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -131.4 | 143.1 | 173.3 | 175.3 | 178.2 | 177.1 | -175.8 | 0 | 109.4 | I2131 | I2131-K2138 PolarHBondContact N-O 3.26Å; I2131-K2138 PolarHBondContact O-N 2.74Å |
| 2139 | C | 78.8 | Confident | 78.1 | Confident | 12 Ų | 12 | 56.6 Ų | 56.6 | 8% | 0.081 | 29% | 0.293 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.7 | 141.4 | 168.3 | -63.1 | 0 | 0 | 0 | 0 | 111.9 | K2124 C2125 E2129 D2148 C2150 | K2124-C2139 PolarHBondContact O-SG 2.93Å; K2124-C2139 VanDerWaalsContact O-SG 3.33Å; C2125-C2139 WeakPolarHBondContact CA-SG 3.34Å; C2125-C2139 HydrophobicContact CB-CB 3.73Å; C2125-C2139 WeakPolarHBondContact CB-SG 3.32Å; C2125-C2139 WeakPolarHBondContact SG-CA 3.17Å; C2125-C2139 WeakPolarHBondContact SG-CB 3.21Å; C2125-C2139 CovalentContact SG-SG 2.03Å; C2125-C2139 PolarHBondContact SG-SG 3.26Å; E2129-C2139 CarbonylContact O-C 3.54Å; E2129-C2139 WeakPolarHBondContact O-CA 3.48Å; C2139-D2148 WeakPolarHBondContact CB-O 3.37Å; C2139-D2148 PolarHBondContact SG-O 3.5Å; C2139-D2148 VanDerWaalsContact SG-O 3.37Å; C2139-C2150 VanDerWaalsContact CB-SG 3.54Å |
| 2140 | V | 78.1 | Confident | 78.4 | Confident | 57 Ų | 57 | 53.9 Ų | 53.9 | 35% | 0.345 | 28% | 0.28 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.2 | 110.7 | 169.4 | 171.3 | 0 | 0 | 0 | 0 | 108.5 | G2128 E2129 I2131 | G2128-V2140 CarbonylContact C-O 3.51Å; G2128-V2140 WeakPolarHBondContact CA-O 3.27Å; E2129-V2140 PolarHBondContact N-O 2.9Å; E2129-V2140 PolarHBondContact O-N 3.46Å; I2131-V2140 HydrophobicContact CD1-CB 4.26Å; I2131-V2140 HydrophobicContact CD1-CG2 3.51Å |
| 2141 | C | 78.7 | Confident | 78.3 | Confident | 22 Ų | 22 | 56 Ų | 56 | 15% | 0.149 | 29% | 0.289 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -78.6 | 149.6 | -167.7 | -49 | 0 | 0 | 0 | 0 | 113.4 | H2127 W2145 G2147 C2150 R2259 | H2127-C2141 CarbonylContact O-C 3.55Å; H2127-C2141 WeakPolarHBondContact O-CA 3.15Å; C2141-W2145 HydrophobicContact CB-CB 4.29Å; C2141-W2145 WeakPolarHBondContact CB-O 3.33Å; C2141-G2147 PolarHBondContact SG-O 3.45Å; C2141-C2150 WeakPolarHBondContact CA-SG 3.44Å; C2141-C2150 HydrophobicContact CB-CB 3.63Å; C2141-C2150 WeakPolarHBondContact CB-SG 3.37Å; C2141-C2150 PolarHBondContact N-SG 2.78Å; C2141-C2150 VanDerWaalsContact N-SG 3.39Å; C2141-C2150 WeakPolarHBondContact SG-CA 3.43Å; C2141-C2150 WeakPolarHBondContact SG-CB 3.39Å; C2141-C2150 CovalentContact SG-SG 2.03Å; C2141-C2150 PolarHBondContact SG-SG 3.22Å; C2141-R2259 VanDerWaalsContact O-CZ 3.26Å; C2141-R2259 PolarHBondContact O-NH1 2.86Å; C2141-R2259 PolarHBondContact O-NH2 2.86Å |
| 2142 | E | 76.5 | Confident | 78.1 | Confident | 86 Ų | 86 | 57.4 Ų | 57.4 | 40% | 0.402 | 30% | 0.299 | S | S | . | . | P | Polyproline II helix | trans | -62.8 | 153.6 | 169.9 | -70.5 | 170.1 | -170.8 | 0 | 0 | 111.4 | H2127 G2144 W2145 | H2127-E2142 PolarHBondContact O-N 2.87Å; E2142-G2144 PolarHBondContact O-N 2.91Å; E2142-W2145 PolarHBondContact O-N 2.96Å |
| 2143 | P | 81.4 | Confident | 77.8 | Confident | 11 Ų | 11 | 62.6 Ų | 62.6 | 7% | 0.071 | 32% | 0.321 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -48.3 | 128.4 | 172.5 | -31.9 | 40 | 0 | 0 | 0 | 112.9 | L2184 H2243 W2356 | P2143-L2184 HydrophobicContact CB-CD2 4.05Å; P2143-H2243 HydrophobicContact CB-CB 4.32Å; P2143-H2243 VanDerWaalsContact CB-CD2 3.48Å; P2143-H2243 WeakPolarHBondContact CB-CD2 3.01Å; P2143-H2243 HydrophobicContact CG-CB 4.26Å; P2143-W2356 HydrophobicContact CB-CD2 3.93Å; P2143-W2356 HydrophobicContact CB-CG 3.9Å; P2143-W2356 HydrophobicContact CG-CD2 4.33Å; P2143-W2356 HydrophobicContact CG-CZ2 4.11Å |
| 2144 | G | 80.4 | Confident | 77.7 | Confident | 0 Ų | 0 | 61.3 Ų | 61.3 | 0% | 0 | 32% | 0.315 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 82.8 | 6.2 | -177.9 | 0 | 0 | 0 | 0 | 0 | 115 | E2142 Q2153 S2154 E2302 | E2142-G2144 PolarHBondContact O-N 2.91Å; G2144-Q2153 WeakPolarHBondContact O-CA 3.18Å; G2144-S2154 PolarHBondContact O-N 3.3Å; G2144-E2302 VanDerWaalsContact CA-OE2 3.23Å; G2144-E2302 WeakPolarHBondContact CA-OE2 3.17Å; G2144-E2302 PolarHBondContact N-OE2 3.25Å |
| 2145 | W | 80.6 | Confident | 77.6 | Confident | 55 Ų | 55 | 63.3 Ų | 63.3 | 21% | 0.208 | 32% | 0.324 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.2 | 144.2 | 175.2 | -65.2 | 93.7 | 0 | 0 | 0 | 112 | H2127 C2141 E2142 V2152 Q2153 | H2127-W2145 HydrophobicContact CB-CB 3.95Å; H2127-W2145 HydrophobicContact CB-CD2 3.59Å; H2127-W2145 HydrophobicContact CB-CE3 4.12Å; H2127-W2145 HydrophobicContact CB-CG 3.49Å; H2127-W2145 VanDerWaalsContact CB-CG 3.49Å; H2127-W2145 AromaticContact CD2-CD2 3.68Å; H2127-W2145 AromaticContact CD2-CE2 3.81Å; H2127-W2145 AromaticContact CD2-CE3 3.46Å; H2127-W2145 VanDerWaalsContact CD2-CE3 3.46Å; H2127-W2145 AromaticContact CD2-CH2 3.59Å; H2127-W2145 AromaticContact CD2-CZ2 3.79Å; H2127-W2145 AromaticContact CD2-CZ3 3.41Å; H2127-W2145 VanDerWaalsContact CD2-CZ3 3.41Å; H2127-W2145 WeakPolarHBondContact CD2-CZ3 3.49Å; H2127-W2145 AromaticContact CE1-CH2 3.92Å; H2127-W2145 AromaticContact CE1-CZ2 3.73Å; H2127-W2145 AromaticContact CG-CD2 3.53Å; H2127-W2145 AromaticContact CG-CE2 3.52Å; H2127-W2145 AromaticContact CG-CE3 3.84Å; H2127-W2145 AromaticContact CG-CZ2 3.84Å; H2127-W2145 AromaticContact CG-NE1 3.91Å; H2127-W2145 AromaticContact ND1-CE2 3.76Å; H2127-W2145 AromaticContact ND1-CZ2 3.8Å; H2127-W2145 AromaticContact NE2-CH2 3.46Å; H2127-W2145 WeakPolarHBondContact NE2-CH2 3.42Å; H2127-W2145 AromaticContact NE2-CZ2 3.74Å; H2127-W2145 AromaticContact NE2-CZ3 3.73Å; C2141-W2145 HydrophobicContact CB-CB 4.29Å; C2141-W2145 WeakPolarHBondContact CB-O 3.33Å; E2142-W2145 PolarHBondContact O-N 2.96Å; W2145-V2152 CarbonylContact C-O 3.42Å; W2145-V2152 WeakPolarHBondContact CA-O 3.23Å; W2145-Q2153 HydrophobicContact CD2-CB 4.32Å; W2145-Q2153 HydrophobicContact CD2-CG 4.21Å; W2145-Q2153 HydrophobicContact CE3-CB 3.89Å; W2145-Q2153 HydrophobicContact CE3-CG 4.27Å; W2145-Q2153 HydrophobicContact CH2-CB 3.95Å; W2145-Q2153 HydrophobicContact CH2-CG 4.07Å; W2145-Q2153 HydrophobicContact CZ2-CB 4.37Å; W2145-Q2153 HydrophobicContact CZ2-CG 3.99Å; W2145-Q2153 HydrophobicContact CZ3-CB 3.69Å; W2145-Q2153 HydrophobicContact CZ3-CG 4.21Å |
| 2146 | R | 78.4 | Confident | 78 | Confident | 62 Ų | 62 | 59.9 Ų | 59.9 | 23% | 0.234 | 31% | 0.306 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -149.6 | 177.1 | -177.2 | 65.1 | -173 | -179.4 | 93.3 | -11.7 | 113.9 | N2151 V2152 W2309 | R2146-N2151 PolarHBondContact O-N 2.82Å; R2146-V2152 HydrophobicContact CG-CB 4.01Å; R2146-V2152 HydrophobicContact CG-CG1 4.15Å; R2146-V2152 PolarHBondContact N-O 2.78Å; R2146-V2152 WeakPolarHBondContact O-CB 3.41Å; R2146-V2152 PolarHBondContact O-N 2.95Å; R2146-W2309 VanDerWaalsContact NH2-CZ3 3.32Å |
| 2147 | G | 71.1 | Confident | 78.6 | Confident | 37 Ų | 37 | 58.6 Ų | 58.6 | 38% | 0.381 | 29% | 0.292 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 94.4 | 161.1 | -174.4 | 0 | 0 | 0 | 0 | 0 | 112.4 | C2141 E2149 C2150 | C2141-G2147 PolarHBondContact SG-O 3.45Å; G2147-E2149 PolarHBondContact O-N 2.67Å; G2147-E2149 VanDerWaalsContact O-N 3.1Å; G2147-C2150 PolarHBondContact O-N 3.34Å |
| 2148 | D | 70.6 | Confident | 79.1 | Confident | 158 Ų | 158 | 55.5 Ų | 55.5 | 85% | 0.845 | 28% | 0.281 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -61.1 | -24.1 | -171.3 | -57.2 | -37 | 0 | 0 | 0 | 114.2 | C2139 | C2139-D2148 WeakPolarHBondContact CB-O 3.37Å; C2139-D2148 PolarHBondContact SG-O 3.5Å; C2139-D2148 VanDerWaalsContact SG-O 3.37Å |
| 2149 | E | 72 | Confident | 79.5 | Confident | 115 Ų | 115 | 49.4 Ų | 49.4 | 54% | 0.537 | 26% | 0.255 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -107.1 | 6.2 | 176.1 | -58.9 | -179.8 | 153.2 | 0 | 0 | 112.8 | K2124 C2125 A2126 G2147 N2151 | K2124-E2149 WeakPolarHBondContact O-CA 3.3Å; K2124-E2149 WeakPolarHBondContact O-CB 3.32Å; C2125-E2149 WeakPolarHBondContact CA-O 3.44Å; A2126-E2149 PolarHBondContact N-O 3.25Å; G2147-E2149 PolarHBondContact O-N 2.67Å; G2147-E2149 VanDerWaalsContact O-N 3.1Å; E2149-N2151 PolarHBondContact OE2-ND2 2.84Å; E2149-N2151 VanDerWaalsContact OE2-ND2 3.09Å |
| 2150 | C | 80 | Confident | 79.5 | Confident | 0 Ų | 0 | 49.3 Ų | 49.3 | 0% | 0 | 26% | 0.256 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 51.6 | 56.3 | -175.6 | -55 | 0 | 0 | 0 | 0 | 113.6 | H2127 C2139 C2141 G2147 | H2127-C2150 WeakPolarHBondContact CB-O 3.41Å; H2127-C2150 PolarHBondContact CD2-O 2.8Å; H2127-C2150 PolarHBondContact N-O 2.99Å; H2127-C2150 VanDerWaalsContact N-O 3.13Å; H2127-C2150 VanDerWaalsContact O-CB 3.32Å; H2127-C2150 WeakPolarHBondContact O-CB 3.41Å; C2139-C2150 VanDerWaalsContact CB-SG 3.54Å; C2141-C2150 WeakPolarHBondContact CA-SG 3.44Å; C2141-C2150 HydrophobicContact CB-CB 3.63Å; C2141-C2150 WeakPolarHBondContact CB-SG 3.37Å; C2141-C2150 PolarHBondContact N-SG 2.78Å; C2141-C2150 VanDerWaalsContact N-SG 3.39Å; C2141-C2150 WeakPolarHBondContact SG-CA 3.43Å; C2141-C2150 WeakPolarHBondContact SG-CB 3.39Å; C2141-C2150 CovalentContact SG-SG 2.03Å; C2141-C2150 PolarHBondContact SG-SG 3.22Å; G2147-C2150 PolarHBondContact O-N 3.34Å |
| 2151 | N | 74.2 | Confident | 79.3 | Confident | 83 Ų | 83 | 49.7 Ų | 49.7 | 44% | 0.444 | 26% | 0.26 | S | S | . | . | trans | -123.7 | -2.3 | -171.4 | 62.3 | 7.8 | 0 | 0 | 0 | 114.3 | R2146 E2149 | R2146-N2151 PolarHBondContact O-N 2.82Å; E2149-N2151 PolarHBondContact OE2-ND2 2.84Å; E2149-N2151 VanDerWaalsContact OE2-ND2 3.09Å | ||
| 2152 | V | 76.5 | Confident | 79.2 | Confident | 57 Ų | 57 | 50.4 Ų | 50.4 | 35% | 0.345 | 27% | 0.265 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.4 | 119.4 | 176.7 | -179.6 | 0 | 0 | 0 | 0 | 110 | W2145 R2146 | W2145-V2152 CarbonylContact C-O 3.42Å; W2145-V2152 WeakPolarHBondContact CA-O 3.23Å; R2146-V2152 HydrophobicContact CG-CB 4.01Å; R2146-V2152 HydrophobicContact CG-CG1 4.15Å; R2146-V2152 PolarHBondContact N-O 2.78Å; R2146-V2152 WeakPolarHBondContact O-CB 3.41Å; R2146-V2152 PolarHBondContact O-N 2.95Å |
| 2153 | Q | 75.4 | Confident | 79.6 | Confident | 115 Ų | 115 | 46.3 Ų | 46.3 | 54% | 0.537 | 25% | 0.245 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -84.9 | 135.4 | 176.2 | -157.3 | 179.7 | 13.2 | 0 | 0 | 111.6 | G2144 W2145 | G2144-Q2153 WeakPolarHBondContact O-CA 3.18Å; W2145-Q2153 HydrophobicContact CD2-CB 4.32Å; W2145-Q2153 HydrophobicContact CD2-CG 4.21Å; W2145-Q2153 HydrophobicContact CE3-CB 3.89Å; W2145-Q2153 HydrophobicContact CE3-CG 4.27Å; W2145-Q2153 HydrophobicContact CH2-CB 3.95Å; W2145-Q2153 HydrophobicContact CH2-CG 4.07Å; W2145-Q2153 HydrophobicContact CZ2-CB 4.37Å; W2145-Q2153 HydrophobicContact CZ2-CG 3.99Å; W2145-Q2153 HydrophobicContact CZ3-CB 3.69Å; W2145-Q2153 HydrophobicContact CZ3-CG 4.21Å |
| 2154 | S | 81.6 | Confident | 80 | Confident | 4 Ų | 4 | 45.9 Ų | 45.9 | 3% | 0.028 | 24% | 0.242 | C | C | . | . | P | Polyproline II helix | trans | -80.7 | 145.8 | 173.7 | -69.7 | 0 | 0 | 0 | 0 | 111.1 | G2144 Q2301 E2302 | G2144-S2154 PolarHBondContact O-N 3.3Å; S2154-Q2301 WeakPolarHBondContact CB-O 3.44Å; S2154-Q2301 PolarHBondContact O-NE2 3.29Å; S2154-E2302 PolarHBondContact OG-OE1 2.95Å |
| 2155 | K | 81.8 | Confident | 80.4 | Confident | 97 Ų | 97 | 45.9 Ų | 45.9 | 42% | 0.422 | 24% | 0.243 | S | C | . | . | P | Polyproline II helix | trans | -97.7 | 138.1 | -173.9 | -73.5 | 178.1 | 179.8 | -176.9 | 0 | 111.4 | I2313 E2315 | K2155-I2313 HydrophobicContact CD-CD1 3.56Å; K2155-E2315 IonicContact NZ-OE2 3.07Å; K2155-E2315 PolarHBondContact NZ-OE2 2.84Å |
| 2156 | W | 87 | Confident | 80.8 | Confident | 37 Ų | 37 | 46.9 Ų | 46.9 | 14% | 0.14 | 25% | 0.246 | C | C | . | . | P | Polyproline II helix | trans | -68.3 | 144.6 | 171.1 | -74.1 | 97.7 | 0 | 0 | 0 | 112.9 | L2184 C2299 Q2301 G2332 C2333 L2336 | W2156-L2184 HydrophobicContact CH2-CD1 4.47Å; W2156-L2184 HydrophobicContact CH2-CG 4.42Å; W2156-C2299 HydrophobicContact CE3-CB 3.67Å; W2156-C2299 HydrophobicContact CZ3-CB 3.98Å; W2156-Q2301 HydrophobicContact CD2-CB 3.62Å; W2156-Q2301 HydrophobicContact CD2-CG 3.88Å; W2156-Q2301 HydrophobicContact CE3-CB 3.74Å; W2156-Q2301 HydrophobicContact CE3-CG 4.49Å; W2156-Q2301 HydrophobicContact CG-CB 4.16Å; W2156-Q2301 HydrophobicContact CG-CG 3.93Å; W2156-Q2301 HydrophobicContact CH2-CB 4.07Å; W2156-Q2301 HydrophobicContact CZ2-CB 3.97Å; W2156-Q2301 HydrophobicContact CZ2-CG 4.39Å; W2156-Q2301 VanDerWaalsContact CZ2-OE1 3.25Å; W2156-Q2301 HydrophobicContact CZ3-CB 3.97Å; W2156-Q2301 VanDerWaalsContact NE1-CD 3.32Å; W2156-G2332 CarbonylContact C-O 3.6Å; W2156-G2332 VanDerWaalsContact C-O 3.26Å; W2156-G2332 PolarHBondContact O-N 3.03Å; W2156-C2333 HydrophobicContact CB-CB 3.93Å; W2156-C2333 HydrophobicContact CD2-CB 4.48Å; W2156-C2333 HydrophobicContact CE3-CB 4.45Å; W2156-C2333 HydrophobicContact CG-CB 4.31Å; W2156-L2336 HydrophobicContact CD2-CD2 4.36Å; W2156-L2336 HydrophobicContact CG-CD2 4.35Å; W2156-L2336 HydrophobicContact CH2-CD1 4.32Å; W2156-L2336 HydrophobicContact CZ2-CD1 3.9Å; W2156-L2336 HydrophobicContact CZ2-CD2 4.4Å |
| 2157 | V | 88.1 | Confident | 81.3 | Confident | 1 Ų | 1 | 43.9 Ų | 43.9 | 1% | 0.006 | 24% | 0.235 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -144.7 | 130.4 | 179.1 | -166.1 | 0 | 0 | 0 | 0 | 110.2 | C2299 I2300 L2312 I2313 V2329 K2330 G2332 | V2157-C2299 CarbonylContact O-C 3.26Å; V2157-C2299 WeakPolarHBondContact O-CA 3.43Å; V2157-I2300 PolarHBondContact N-O 2.88Å; V2157-I2300 PolarHBondContact O-N 2.89Å; V2157-L2312 HydrophobicContact CB-CB 4.41Å; V2157-L2312 HydrophobicContact CG2-CB 3.69Å; V2157-L2312 HydrophobicContact CG2-CD1 4.25Å; V2157-I2313 HydrophobicContact CG2-CG2 3.9Å; V2157-V2329 HydrophobicContact CG1-CG1 3.25Å; V2157-K2330 CarbonylContact C-O 3.57Å; V2157-K2330 WeakPolarHBondContact CA-O 3.39Å; V2157-K2330 WeakPolarHBondContact CG1-O 3.35Å; V2157-G2332 CarbonylContact C-O 3.44Å; V2157-G2332 WeakPolarHBondContact CA-O 3.46Å; V2157-G2332 PolarHBondContact N-O 3.34Å |
| 2158 | T | 89.1 | Confident | 81.8 | Confident | 27 Ų | 27 | 46 Ų | 46 | 17% | 0.166 | 24% | 0.237 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -87.8 | 140.5 | 178.5 | -57.1 | 0 | 0 | 0 | 0 | 112.4 | G2298 C2299 V2329 K2330 G2332 | T2158-G2298 WeakPolarHBondContact CA-O 3.49Å; T2158-C2299 PolarHBondContact OG1-SG 2.8Å; T2158-C2299 VanDerWaalsContact OG1-SG 3.4Å; T2158-V2329 WeakPolarHBondContact O-CA 3.03Å; T2158-K2330 PolarHBondContact N-O 2.93Å; T2158-K2330 PolarHBondContact O-N 3.4Å; T2158-G2332 PolarHBondContact N-O 3.17Å; T2158-G2332 PolarHBondContact OG1-O 2.86Å |
| 2159 | F | 89.7 | Confident | 82.5 | Confident | 1 Ų | 1 | 39 Ų | 39 | 0% | 0.004 | 20% | 0.2 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.2 | 128.8 | 175.3 | -73.4 | -111.4 | 0 | 0 | 0 | 109.5 | I2165 V2284 F2296 M2297 G2298 I2300 V2329 | F2159-I2165 HydrophobicContact CE1-CD1 4.38Å; F2159-I2165 HydrophobicContact CE1-CG1 4.03Å; F2159-I2165 HydrophobicContact CZ-CD1 3.68Å; F2159-I2165 HydrophobicContact CZ-CG1 3.83Å; F2159-V2284 HydrophobicContact CE1-CG1 3.9Å; F2159-V2284 HydrophobicContact CE2-CG1 4.47Å; F2159-V2284 HydrophobicContact CZ-CB 4.47Å; F2159-V2284 HydrophobicContact CZ-CG1 3.62Å; F2159-F2296 HydrophobicContact CB-CD1 4.25Å; F2159-M2297 WeakPolarHBondContact O-CA 3.22Å; F2159-G2298 PolarHBondContact N-O 2.74Å; F2159-G2298 PolarHBondContact O-N 3.18Å; F2159-I2300 HydrophobicContact CD2-CB 4.36Å; F2159-I2300 HydrophobicContact CD2-CD1 4Å; F2159-I2300 HydrophobicContact CD2-CG1 3.96Å; F2159-I2300 HydrophobicContact CE2-CB 3.98Å; F2159-I2300 HydrophobicContact CE2-CD1 3.81Å; F2159-I2300 HydrophobicContact CE2-CG1 3.94Å; F2159-I2300 HydrophobicContact CG-CD1 4.47Å; F2159-I2300 HydrophobicContact CZ-CD1 4.08Å; F2159-V2329 HydrophobicContact CD1-CG2 4.02Å; F2159-V2329 HydrophobicContact CE1-CG2 3.82Å; F2159-V2329 HydrophobicContact CZ-CG2 4.13Å |
| 2160 | G | 79.2 | Confident | 82.8 | Confident | 10 Ų | 10 | 37.2 Ų | 37.2 | 10% | 0.103 | 20% | 0.2 | C | C | . | . | trans | -88.7 | 176.8 | 165.9 | 0 | 0 | 0 | 0 | 0 | 112.7 | S2162 S2163 | G2160-S2162 PolarHBondContact O-N 2.89Å; G2160-S2163 WeakPolarHBondContact CA-OG 3.48Å; G2160-S2163 PolarHBondContact N-OG 2.86Å; G2160-S2163 VanDerWaalsContact O-CB 3.23Å; G2160-S2163 WeakPolarHBondContact O-CB 3.03Å; G2160-S2163 PolarHBondContact O-N 2.91Å; G2160-S2163 PolarHBondContact O-OG 2.66Å | ||
| 2161 | P | 73.4 | Confident | 82.5 | Confident | 66 Ų | 66 | 38.2 Ų | 38.2 | 43% | 0.429 | 21% | 0.206 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -63.3 | -20.7 | -170.2 | 24.7 | -35 | 0 | 0 | 0 | 115.3 | G2295 M2297 | P2161-G2295 WeakPolarHBondContact O-CA 3.29Å; P2161-G2295 PolarHBondContact O-N 2.76Å; P2161-M2297 HydrophobicContact CG-SD 4.48Å |
| 2162 | S | 76.8 | Confident | 82.1 | Confident | 36 Ų | 36 | 37 Ų | 37 | 25% | 0.252 | 21% | 0.213 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -109.1 | 9 | 173.2 | 61.1 | 0 | 0 | 0 | 0 | 113.9 | G2160 | G2160-S2162 PolarHBondContact O-N 2.89Š|
| 2163 | S | 84.3 | Confident | 81.6 | Confident | 0 Ų | 0 | 40 Ų | 40 | 0% | 0 | 24% | 0.236 | C | C | . | . | trans | -77.8 | 143.9 | -175.2 | -63.3 | 0 | 0 | 0 | 0 | 112.9 | G2160 S2286 W2327 D2328 | G2160-S2163 WeakPolarHBondContact CA-OG 3.48Å; G2160-S2163 PolarHBondContact N-OG 2.86Å; G2160-S2163 VanDerWaalsContact O-CB 3.23Å; G2160-S2163 WeakPolarHBondContact O-CB 3.03Å; G2160-S2163 PolarHBondContact O-N 2.91Å; G2160-S2163 PolarHBondContact O-OG 2.66Å; S2163-S2286 PolarHBondContact O-N 2.85Å; S2163-W2327 WeakPolarHBondContact CA-O 3.47Å; S2163-W2327 VanDerWaalsContact CB-O 3.29Å; S2163-W2327 WeakPolarHBondContact CB-O 3.21Å; S2163-W2327 PolarHBondContact OG-O 2.92Å; S2163-D2328 PolarHBondContact OG-O 3.46Å | ||
| 2164 | F | 89.3 | Confident | 81.7 | Confident | 2 Ų | 2 | 36.2 Ų | 36.2 | 1% | 0.009 | 22% | 0.22 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -155.1 | 161.4 | 173.6 | 69.3 | -84.9 | 0 | 0 | 0 | 111.7 | R2166 V2284 S2286 R2289 D2325 H2326 W2327 V2329 | F2164-R2166 HydrophobicContact CD2-CB 4.42Å; F2164-R2166 HydrophobicContact CE2-CB 4.39Å; F2164-V2284 CarbonylContact C-O 3.51Å; F2164-V2284 WeakPolarHBondContact CA-O 3.23Å; F2164-S2286 WeakPolarHBondContact CB-O 3.28Å; F2164-R2289 HydrophobicContact CE1-CG 3.72Å; F2164-R2289 HydrophobicContact CZ-CG 4.02Å; F2164-D2325 HydrophobicContact CE2-CB 4.27Å; F2164-D2325 WeakPolarHBondContact CE2-OD2 3.49Å; F2164-D2325 VanDerWaalsContact CZ-OD2 3.28Å; F2164-D2325 WeakPolarHBondContact CZ-OD2 3.39Å; F2164-H2326 VanDerWaalsContact O-CA 3.27Å; F2164-H2326 WeakPolarHBondContact O-CA 3.25Å; F2164-W2327 HydrophobicContact CD1-CB 3.84Å; F2164-W2327 HydrophobicContact CE1-CB 3.38Å; F2164-W2327 HydrophobicContact CE1-CG 4.13Å; F2164-W2327 HydrophobicContact CZ-CB 3.92Å; F2164-W2327 PolarHBondContact N-O 2.03Å; F2164-W2327 PolarHBondContact O-N 3.11Å; F2164-V2329 WeakPolarHBondContact O-CG2 3.45Å |
| 2165 | I | 89.8 | Confident | 81.2 | Confident | 1 Ų | 1 | 38.8 Ų | 38.8 | 1% | 0.005 | 24% | 0.236 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.8 | 131.9 | 164.8 | -53 | 179.4 | 0 | 0 | 0 | 107.2 | F2159 Y2167 R2283 V2284 L2312 I2323 H2326 V2329 | F2159-I2165 HydrophobicContact CE1-CD1 4.38Å; F2159-I2165 HydrophobicContact CE1-CG1 4.03Å; F2159-I2165 HydrophobicContact CZ-CD1 3.68Å; F2159-I2165 HydrophobicContact CZ-CG1 3.83Å; I2165-Y2167 HydrophobicContact CB-CE2 4.28Å; I2165-Y2167 HydrophobicContact CG2-CE1 4Å; I2165-Y2167 HydrophobicContact CG2-CE2 3.93Å; I2165-R2283 CarbonylContact O-C 3.54Å; I2165-R2283 VanDerWaalsContact O-CA 3.22Å; I2165-R2283 WeakPolarHBondContact O-CA 3.44Å; I2165-V2284 PolarHBondContact N-O 3.38Å; I2165-V2284 PolarHBondContact O-N 2.77Å; I2165-L2312 HydrophobicContact CD1-CB 4.15Å; I2165-L2312 HydrophobicContact CD1-CD2 3.88Å; I2165-L2312 WeakPolarHBondContact CD1-O 3.35Å; I2165-I2323 HydrophobicContact CG2-CB 4.47Å; I2165-I2323 HydrophobicContact CG2-CD1 4.32Å; I2165-I2323 HydrophobicContact CG2-CG1 4.13Å; I2165-I2323 HydrophobicContact CG2-CG2 3.68Å; I2165-H2326 HydrophobicContact CG1-CB 4.32Å; I2165-V2329 HydrophobicContact CD1-CG1 4.02Å; I2165-V2329 HydrophobicContact CD1-CG2 4.46Å; I2165-V2329 HydrophobicContact CG1-CG1 4.21Å; I2165-V2329 HydrophobicContact CG1-CG2 3.82Å |
| 2166 | R | 89 | Confident | 80.8 | Confident | 75 Ų | 75 | 34.6 Ų | 34.6 | 28% | 0.283 | 22% | 0.221 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.1 | 137.2 | 173.9 | -177.6 | -178.1 | 179.4 | -144.6 | 6.3 | 110.2 | F2164 G2280 R2283 D2324 D2325 | F2164-R2166 HydrophobicContact CD2-CB 4.42Å; F2164-R2166 HydrophobicContact CE2-CB 4.39Å; R2166-G2280 VanDerWaalsContact CZ-O 3.22Å; R2166-G2280 PolarHBondContact NE-O 3.48Å; R2166-G2280 PolarHBondContact NH2-O 3.49Å; R2166-R2283 HydrophobicContact CB-CG 4.4Å; R2166-R2283 HydrophobicContact CG-CG 4.43Å; R2166-D2324 WeakPolarHBondContact CD-OD2 3.49Å; R2166-D2324 HydrophobicContact CG-CB 4.31Å; R2166-D2324 IonicContact CZ-OD2 3.85Å; R2166-D2324 IonicContact NE-OD2 2.67Å; R2166-D2324 IonicContact NH1-OD2 3.61Å; R2166-D2324 PolarHBondContact NH1-OD2 3.26Å; R2166-D2324 PolarHBondContact O-N 3.27Å; R2166-D2325 HydrophobicContact CB-CB 4.3Å; R2166-D2325 PolarHBondContact N-O 2.96Å |
| 2167 | Y | 89.4 | Confident | 80.4 | Confident | 0 Ų | 0 | 35.3 Ų | 35.3 | 0% | 0 | 22% | 0.224 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.8 | 147.7 | -178.6 | -61.7 | -82.5 | 0 | 0 | 0 | 113.3 | I2165 F2282 V2284 L2310 P2311 K2322 I2323 | I2165-Y2167 HydrophobicContact CB-CE2 4.28Å; I2165-Y2167 HydrophobicContact CG2-CE1 4Å; I2165-Y2167 HydrophobicContact CG2-CE2 3.93Å; Y2167-F2282 HydrophobicContact CD2-CB 4.4Å; Y2167-F2282 PolarHBondContact N-O 2.9Å; Y2167-V2284 HydrophobicContact CE2-CB 4.43Å; Y2167-V2284 HydrophobicContact CE2-CG2 3.87Å; Y2167-L2310 HydrophobicContact CD2-CD1 4.23Å; Y2167-L2310 HydrophobicContact CE1-CB 3.98Å; Y2167-L2310 HydrophobicContact CE2-CB 4.21Å; Y2167-L2310 HydrophobicContact CE2-CD1 4.14Å; Y2167-P2311 HydrophobicContact CD1-CG 4.43Å; Y2167-P2311 HydrophobicContact CE1-CG 3.95Å; Y2167-P2311 VanDerWaalsContact CE1-O 3.31Å; Y2167-P2311 WeakPolarHBondContact CE1-O 3.39Å; Y2167-P2311 PolarHBondContact OH-O 2.8Å; Y2167-P2311 VanDerWaalsContact OH-O 3.13Å; Y2167-K2322 CarbonylContact C-O 3.54Å; Y2167-K2322 VanDerWaalsContact CA-O 3.32Å; Y2167-K2322 WeakPolarHBondContact CA-O 3.06Å; Y2167-I2323 HydrophobicContact CD1-CG1 4.46Å; Y2167-I2323 HydrophobicContact CE1-CG1 4.1Å |
| 2168 | L | 81.7 | Confident | 80.1 | Confident | 82 Ų | 82 | 36.9 Ų | 36.9 | 43% | 0.429 | 23% | 0.23 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.5 | 104.1 | 157.8 | -86.3 | 163.3 | 0 | 0 | 0 | 107.8 | K2322 D2324 | L2168-K2322 PolarHBondContact N-O 3.21Å; L2168-K2322 PolarHBondContact O-N 3.15Å; L2168-K2322 VanDerWaalsContact O-N 3.16Å; L2168-D2324 HydrophobicContact CD1-CB 3.97Å; L2168-D2324 WeakPolarHBondContact CD1-OD1 3.25Å; L2168-D2324 HydrophobicContact CG-CB 3.97Å |
| 2169 | L | 85.3 | Confident | 80 | Confident | 11 Ų | 11 | 35.6 Ų | 35.6 | 6% | 0.058 | 22% | 0.222 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -82.2 | 133.8 | 174.9 | -59.3 | -172.5 | 0 | 0 | 0 | 110.8 | V2171 L2279 F2282 L2310 Y2320 A2321 | L2169-V2171 HydrophobicContact CB-CG2 4.19Å; L2169-L2279 HydrophobicContact CB-CB 4.19Å; L2169-L2279 HydrophobicContact CB-CD2 4.11Å; L2169-L2279 PolarHBondContact N-O 2.93Å; L2169-F2282 HydrophobicContact CD1-CB 4.44Å; L2169-F2282 HydrophobicContact CD1-CD1 3.97Å; L2169-F2282 HydrophobicContact CD1-CD2 3.53Å; L2169-F2282 HydrophobicContact CD1-CE1 4.1Å; L2169-F2282 HydrophobicContact CD1-CE2 3.67Å; L2169-F2282 HydrophobicContact CD1-CG 3.7Å; L2169-F2282 HydrophobicContact CD1-CZ 3.96Å; L2169-F2282 HydrophobicContact CG-CD2 4.16Å; L2169-F2282 HydrophobicContact CG-CG 4.32Å; L2169-L2310 HydrophobicContact CD2-CD2 3.78Å; L2169-Y2320 CarbonylContact C-O 3.55Å; L2169-Y2320 WeakPolarHBondContact CA-O 3.16Å; L2169-A2321 HydrophobicContact CD2-CB 3.65Å |
| 2170 | S | 77.1 | Confident | 79.9 | Confident | 77 Ų | 77 | 37.6 Ų | 37.6 | 54% | 0.538 | 23% | 0.231 | S | C | . | . | trans | -116 | 42.2 | 176 | -61.8 | 0 | 0 | 0 | 0 | 110.5 | Y2320 | S2170-Y2320 PolarHBondContact N-O 3.39Š| ||
| 2171 | V | 74.6 | Confident | 80.5 | Confident | 21 Ų | 21 | 37.1 Ų | 37.1 | 13% | 0.127 | 23% | 0.226 | C | C | . | . | trans | -90.7 | 168 | 173.7 | -63.8 | 0 | 0 | 0 | 0 | 110.8 | L2169 L2174 L2279 Y2308 | L2169-V2171 HydrophobicContact CB-CG2 4.19Å; V2171-L2174 HydrophobicContact CG2-CD1 4.46Å; V2171-L2174 HydrophobicContact CG2-CD2 3.92Å; V2171-L2174 HydrophobicContact CG2-CG 4.04Å; V2171-L2279 HydrophobicContact CG2-CD2 3.78Å; V2171-Y2308 HydrophobicContact CB-CE1 4.49Å; V2171-Y2308 HydrophobicContact CG1-CD1 3.7Å; V2171-Y2308 HydrophobicContact CG1-CD2 4.3Å; V2171-Y2308 HydrophobicContact CG1-CE1 3.57Å; V2171-Y2308 HydrophobicContact CG1-CE2 4.2Å; V2171-Y2308 HydrophobicContact CG1-CG 4.07Å | ||
| 2172 | G | 65.7 | Low | 81.2 | Confident | 57 Ų | 57 | 34.9 Ų | 34.9 | 59% | 0.588 | 21% | 0.21 | S | C | * | . | S | Bend | trans | -73 | -158.8 | 169.3 | 0 | 0 | 0 | 0 | 0 | 113 | L2174 | G2172-L2174 PolarHBondContact O-N 2.83Å; G2172-L2174 VanDerWaalsContact O-N 3.16Å |
| 2173 | S | 66.4 | Low | 82 | Confident | 120 Ų | 120 | 33.1 Ų | 33.1 | 84% | 0.839 | 20% | 0.198 | S | C | * | . | trans | -60 | 116.2 | 172.6 | 57.8 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 2174 | L | 76 | Confident | 82.3 | Confident | 36 Ų | 36 | 33.1 Ų | 33.1 | 19% | 0.188 | 20% | 0.198 | C | C | . | . | trans | -68.9 | 140.5 | 170.6 | -69.2 | 170 | 0 | 0 | 0 | 110.6 | V2171 G2172 G2176 Y2277 L2279 F2282 F2305 | V2171-L2174 HydrophobicContact CG2-CD1 4.46Å; V2171-L2174 HydrophobicContact CG2-CD2 3.92Å; V2171-L2174 HydrophobicContact CG2-CG 4.04Å; G2172-L2174 PolarHBondContact O-N 2.83Å; G2172-L2174 VanDerWaalsContact O-N 3.16Å; L2174-G2176 PolarHBondContact O-N 2.9Å; L2174-Y2277 HydrophobicContact CD1-CD2 4.31Å; L2174-L2279 HydrophobicContact CD1-CD2 3.92Å; L2174-L2279 HydrophobicContact CG-CD2 4.44Å; L2174-F2282 HydrophobicContact CD1-CE2 4.02Å; L2174-F2282 HydrophobicContact CD1-CZ 3.69Å; L2174-F2305 HydrophobicContact CD1-CE1 3.91Å; L2174-F2305 HydrophobicContact CD2-CD1 4.37Å; L2174-F2305 HydrophobicContact CD2-CE1 3.9Å; L2174-F2305 HydrophobicContact CG-CE1 4.43Å | ||
| 2175 | P | 70.8 | Confident | 82.5 | Confident | 58 Ų | 58 | 33 Ų | 33 | 38% | 0.377 | 20% | 0.197 | S | C | . | . | trans | -73.8 | 107.2 | -177.3 | 28.1 | -33.6 | 0 | 0 | 0 | 111.7 | Y2177 Y2178 | P2175-Y2177 PolarHBondContact O-N 2.93Å; P2175-Y2178 HydrophobicContact CG-CD1 4.41Å; P2175-Y2178 CarbonylContact O-C 3.24Å; P2175-Y2178 PolarHBondContact O-N 2.82Å | ||
| 2176 | G | 74.1 | Confident | 82.4 | Confident | 9 Ų | 9 | 33.8 Ų | 33.8 | 9% | 0.093 | 20% | 0.2 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -65.4 | -13.7 | -171.9 | 0 | 0 | 0 | 0 | 0 | 117 | L2174 R2248 M2275 | L2174-G2176 PolarHBondContact O-N 2.9Å; G2176-R2248 PolarHBondContact O-NH2 3.04Å; G2176-M2275 WeakPolarHBondContact CA-O 3.3Å; G2176-M2275 PolarHBondContact O-N 2.84Å |
| 2177 | Y | 78.2 | Confident | 82.4 | Confident | 52 Ų | 52 | 30.3 Ų | 30.3 | 20% | 0.204 | 19% | 0.188 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -100.2 | 0.6 | 173.4 | -63.9 | -67.7 | 0 | 0 | 0 | 113.8 | Y2021 P2175 K2250 H2272 K2274 | Y2021-Y2177 WeakPolarHBondContact OH-CD2 3.22Å; P2175-Y2177 PolarHBondContact O-N 2.93Å; Y2177-K2250 HydrophobicContact CD1-CG 4.43Å; Y2177-K2250 PolarHBondContact O-N 2.84Å; Y2177-H2272 HydrophobicContact CE1-CB 4.04Å; Y2177-H2272 WeakPolarHBondContact CE1-O 3.3Å; Y2177-K2274 HydrophobicContact CE1-CB 3.97Å; Y2177-K2274 HydrophobicContact CE2-CB 4.24Å; Y2177-K2274 HydrophobicContact CE2-CG 4.4Å |
| 2178 | Y | 82 | Confident | 82 | Confident | 34 Ų | 34 | 33.3 Ų | 33.3 | 13% | 0.133 | 20% | 0.202 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -136.6 | 120.7 | -179.8 | -177.6 | -94.2 | 0 | 0 | 0 | 111.9 | V2017 P2175 K2180 E2247 R2248 N2306 | V2017-Y2178 HydrophobicContact CG2-CD1 4.41Å; V2017-Y2178 HydrophobicContact CG2-CD2 3.52Å; V2017-Y2178 HydrophobicContact CG2-CE2 3.9Å; V2017-Y2178 HydrophobicContact CG2-CG 3.8Å; P2175-Y2178 HydrophobicContact CG-CD1 4.41Å; P2175-Y2178 CarbonylContact O-C 3.24Å; P2175-Y2178 PolarHBondContact O-N 2.82Å; Y2178-K2180 HydrophobicContact CE1-CB 4.05Å; Y2178-E2247 HydrophobicContact CE2-CG 3.66Å; Y2178-E2247 WeakPolarHBondContact CE2-OE1 3.38Å; Y2178-E2247 PolarHBondContact OH-OE1 3.22Å; Y2178-R2248 WeakPolarHBondContact CA-O 3.44Å; Y2178-N2306 WeakPolarHBondContact CD1-OD1 3.37Å; Y2178-N2306 WeakPolarHBondContact CE1-OD1 3.38Å; Y2178-N2306 PolarHBondContact O-ND2 3.3Å |
| 2179 | S | 86.3 | Confident | 82 | Confident | 0 Ų | 0 | 31.3 Ų | 31.3 | 0% | 0 | 19% | 0.193 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -142 | 106.6 | 178.6 | 51.7 | 0 | 0 | 0 | 0 | 110.4 | R2248 N2306 | S2179-R2248 PolarHBondContact N-O 2.78Å; S2179-R2248 PolarHBondContact O-N 2.81Å; S2179-R2248 WeakPolarHBondContact OG-CB 3.49Å; S2179-R2248 PolarHBondContact OG-NE 3.48Å; S2179-R2248 VanDerWaalsContact OG-NE 3.08Å; S2179-N2306 WeakPolarHBondContact CA-OD1 3.3Å |
| 2180 | K | 88.6 | Confident | 81.7 | Confident | 43 Ų | 43 | 31.1 Ų | 31.1 | 19% | 0.187 | 19% | 0.193 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -102.3 | 123.3 | 170.6 | -176.3 | -177.2 | 169.9 | -162.7 | 0 | 110.2 | Y2178 D2245 V2246 E2247 F2305 N2306 E2307 | Y2178-K2180 HydrophobicContact CE1-CB 4.05Å; K2180-D2245 VanDerWaalsContact CE-OD1 3.25Å; K2180-D2245 WeakPolarHBondContact CE-OD1 3.42Å; K2180-D2245 IonicContact NZ-OD1 2.93Å; K2180-V2246 CarbonylContact C-O 3.33Å; K2180-V2246 VanDerWaalsContact CA-O 3.25Å; K2180-V2246 WeakPolarHBondContact CA-O 3.41Å; K2180-E2247 HydrophobicContact CB-CB 4.38Å; K2180-E2247 HydrophobicContact CB-CG 4.3Å; K2180-E2247 HydrophobicContact CG-CB 4.22Å; K2180-F2305 CarbonylContact O-C 3.57Å; K2180-F2305 WeakPolarHBondContact O-CA 3.42Å; K2180-F2305 WeakPolarHBondContact O-CD2 3.42Å; K2180-N2306 PolarHBondContact N-OD1 2.9Å; K2180-N2306 PolarHBondContact O-N 2.96Å; K2180-E2307 WeakPolarHBondContact CD-OE1 3.34Å; K2180-E2307 IonicContact NZ-OE1 2.86Å; K2180-E2307 PolarHBondContact NZ-OE1 3.32Å |
| 2181 | V | 91.2 | Very high | 82 | Confident | 0 Ų | 0 | 32.9 Ų | 32.9 | 0% | 0 | 19% | 0.191 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.4 | 134.3 | 171.2 | -172.5 | 0 | 0 | 0 | 0 | 108.1 | V2183 F2195 M2206 L2208 D2245 V2246 F2305 | V2181-V2183 HydrophobicContact CG1-CG2 4.04Å; V2181-F2195 HydrophobicContact CB-CD1 4.38Å; V2181-F2195 HydrophobicContact CB-CE1 4.35Å; V2181-F2195 HydrophobicContact CG1-CB 4.43Å; V2181-F2195 HydrophobicContact CG1-CD1 3.48Å; V2181-F2195 VanDerWaalsContact CG1-CD1 3.48Å; V2181-F2195 HydrophobicContact CG1-CE1 3.77Å; V2181-F2195 HydrophobicContact CG1-CG 3.98Å; V2181-F2195 HydrophobicContact CG1-CZ 4.5Å; V2181-F2195 HydrophobicContact CG2-CD1 3.92Å; V2181-F2195 HydrophobicContact CG2-CE1 3.6Å; V2181-M2206 HydrophobicContact CG2-CE 4.33Å; V2181-M2206 HydrophobicContact CG2-SD 3.96Å; V2181-L2208 HydrophobicContact CG1-CD2 4.1Å; V2181-D2245 CarbonylContact O-C 3.54Å; V2181-D2245 WeakPolarHBondContact O-CA 3Å; V2181-V2246 HydrophobicContact CB-CB 4.45Å; V2181-V2246 PolarHBondContact N-O 2.8Å; V2181-V2246 PolarHBondContact O-N 2.91Å; V2181-F2305 HydrophobicContact CG2-CD2 4.12Å; V2181-F2305 HydrophobicContact CG2-CE2 4.4Å |
| 2182 | N | 89.6 | Confident | 82.5 | Confident | 18 Ų | 18 | 32.2 Ų | 32.2 | 10% | 0.096 | 19% | 0.188 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.2 | 135.2 | 169.9 | 177.6 | -82.1 | 0 | 0 | 0 | 108.7 | H2243 V2244 D2245 V2303 A2304 | N2182-H2243 PolarHBondContact ND2-CE1 2.69Å; N2182-H2243 PolarHBondContact ND2-NE2 3.45Å; N2182-V2244 CarbonylContact C-O 3.5Å; N2182-V2244 WeakPolarHBondContact CA-O 3.49Å; N2182-D2245 PolarHBondContact ND2-OD1 2.83Å; N2182-V2303 CarbonylContact O-C 3.57Å; N2182-V2303 VanDerWaalsContact O-CA 3.27Å; N2182-V2303 WeakPolarHBondContact O-CA 3.45Å; N2182-A2304 HydrophobicContact CB-CB 4.25Å; N2182-A2304 PolarHBondContact N-O 2.93Å; N2182-A2304 PolarHBondContact O-N 2.9Å |
| 2183 | V | 92.6 | Very high | 83.5 | Confident | 0 Ų | 0 | 29.9 Ų | 29.9 | 0% | 0 | 16% | 0.162 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -142 | 128 | 175.4 | -172.7 | 0 | 0 | 0 | 0 | 110.3 | V2181 F2185 L2194 L2208 V2244 I2300 E2302 V2303 | V2181-V2183 HydrophobicContact CG1-CG2 4.04Å; V2183-F2185 HydrophobicContact CB-CD1 4.38Å; V2183-F2185 HydrophobicContact CG1-CB 4.11Å; V2183-F2185 HydrophobicContact CG1-CD1 3.82Å; V2183-F2185 HydrophobicContact CG1-CG 4.38Å; V2183-L2194 HydrophobicContact CG1-CD2 4.47Å; V2183-L2208 HydrophobicContact CG2-CD2 3.95Å; V2183-V2244 PolarHBondContact N-O 3.4Å; V2183-V2244 PolarHBondContact O-N 3.01Å; V2183-I2300 HydrophobicContact CG1-CG2 4.2Å; V2183-E2302 WeakPolarHBondContact CA-O 3.45Å; V2183-V2303 HydrophobicContact CG1-CG2 4.26Å; V2183-V2303 HydrophobicContact CG2-CG1 4.48Å; V2183-V2303 HydrophobicContact CG2-CG2 4.48Å |
| 2184 | L | 91.4 | Very high | 84.7 | Confident | 0 Ų | 0 | 24.1 Ų | 24.1 | 0% | 0 | 12% | 0.122 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.9 | 112.3 | 167.2 | 174.8 | 51.7 | 0 | 0 | 0 | 109.3 | P2143 W2156 Y2242 H2243 I2300 Q2301 E2302 W2356 | P2143-L2184 HydrophobicContact CB-CD2 4.05Å; W2156-L2184 HydrophobicContact CH2-CD1 4.47Å; W2156-L2184 HydrophobicContact CH2-CG 4.42Å; L2184-Y2242 WeakPolarHBondContact CA-O 3.24Å; L2184-Y2242 WeakPolarHBondContact CD1-O 3.18Å; L2184-H2243 HydrophobicContact CD1-CB 4.25Å; L2184-I2300 WeakPolarHBondContact O-CA 3.41Å; L2184-I2300 WeakPolarHBondContact O-CG2 3.39Å; L2184-Q2301 HydrophobicContact CB-CB 4.44Å; L2184-Q2301 HydrophobicContact CD2-CB 4.01Å; L2184-Q2301 HydrophobicContact CD2-CG 4.46Å; L2184-Q2301 VanDerWaalsContact CD2-OE1 3.24Å; L2184-Q2301 HydrophobicContact CG-CB 3.94Å; L2184-Q2301 PolarHBondContact O-N 3.42Å; L2184-E2302 HydrophobicContact CB-CB 4.04Å; L2184-E2302 PolarHBondContact N-O 2.68Å; L2184-W2356 HydrophobicContact CD1-CD2 4.49Å; L2184-W2356 HydrophobicContact CD1-CE3 3.67Å; L2184-W2356 HydrophobicContact CD1-CZ3 4.09Å |
| 2185 | F | 91.8 | Very high | 85.5 | Confident | 0 Ų | 0 | 22.5 Ų | 22.5 | 0% | 0 | 11% | 0.114 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -139.2 | 169 | -171.9 | 70.8 | -84.6 | 0 | 0 | 0 | 113.2 | V2183 P2187 L2194 L2210 L2236 S2241 Y2242 V2244 F2296 C2299 I2300 | V2183-F2185 HydrophobicContact CB-CD1 4.38Å; V2183-F2185 HydrophobicContact CG1-CB 4.11Å; V2183-F2185 HydrophobicContact CG1-CD1 3.82Å; V2183-F2185 HydrophobicContact CG1-CG 4.38Å; F2185-P2187 HydrophobicContact CD2-CB 4.36Å; F2185-P2187 HydrophobicContact CD2-CG 4.33Å; F2185-P2187 HydrophobicContact CE2-CB 4.25Å; F2185-P2187 HydrophobicContact CE2-CG 4.02Å; F2185-L2194 HydrophobicContact CB-CD2 4.02Å; F2185-L2194 HydrophobicContact CD1-CD1 3.98Å; F2185-L2194 HydrophobicContact CD1-CD2 4.08Å; F2185-L2194 HydrophobicContact CD2-CD2 3.91Å; F2185-L2194 HydrophobicContact CE1-CD1 3.72Å; F2185-L2194 HydrophobicContact CE2-CD1 4.31Å; F2185-L2194 HydrophobicContact CE2-CD2 4.42Å; F2185-L2194 HydrophobicContact CG-CD1 4.37Å; F2185-L2194 HydrophobicContact CG-CD2 3.73Å; F2185-L2194 HydrophobicContact CZ-CD1 3.9Å; F2185-L2210 HydrophobicContact CE2-CD1 3.84Å; F2185-L2210 HydrophobicContact CE2-CD2 4.37Å; F2185-L2210 HydrophobicContact CZ-CD1 4.46Å; F2185-L2210 HydrophobicContact CZ-CD2 4.26Å; F2185-L2236 HydrophobicContact CZ-CD1 4.21Å; F2185-S2241 CarbonylContact O-C 3.43Å; F2185-S2241 WeakPolarHBondContact O-CA 3.39Å; F2185-S2241 WeakPolarHBondContact O-CB 3.05Å; F2185-Y2242 AromaticContact CE2-CD2 3.85Å; F2185-Y2242 HydrophobicContact CE2-CD2 3.85Å; F2185-Y2242 HydrophobicContact CZ-CD2 4.01Å; F2185-Y2242 HydrophobicContact CZ-CG 4.29Å; F2185-Y2242 PolarHBondContact N-O 2.96Å; F2185-Y2242 PolarHBondContact O-N 2.84Å; F2185-V2244 HydrophobicContact CE1-CB 4.39Å; F2185-V2244 HydrophobicContact CE1-CG2 3.79Å; F2185-V2244 HydrophobicContact CZ-CG2 4.47Å; F2185-F2296 HydrophobicContact CB-CZ 4.11Å; F2185-F2296 AromaticContact CD2-CE2 3.87Å; F2185-F2296 HydrophobicContact CD2-CE2 3.87Å; F2185-F2296 AromaticContact CD2-CZ 3.88Å; F2185-F2296 HydrophobicContact CD2-CZ 3.88Å; F2185-F2296 HydrophobicContact CE2-CE2 4.47Å; F2185-F2296 HydrophobicContact CG-CZ 4.39Å; F2185-C2299 CarbonylContact C-O 3.47Å; F2185-C2299 VanDerWaalsContact CA-O 3.24Å; F2185-C2299 WeakPolarHBondContact CA-O 3.45Å; F2185-C2299 WeakPolarHBondContact CB-O 3.02Å; F2185-I2300 HydrophobicContact CB-CG1 4.13Å |
| 2186 | Y | 88.8 | Confident | 86.5 | Confident | 16 Ų | 16 | 20 Ų | 20 | 6% | 0.063 | 10% | 0.097 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -139.2 | 108.3 | 178.7 | -179.9 | -81.7 | 0 | 0 | 0 | 107.7 | N2239 Q2240 F2296 G2298 C2299 A2335 L2336 | Y2186-N2239 VanDerWaalsContact CE2-C 3.47Å; Y2186-N2239 WeakPolarHBondContact CE2-O 3.27Å; Y2186-N2239 VanDerWaalsContact CZ-C 3.49Å; Y2186-N2239 WeakPolarHBondContact OH-CA 3.2Å; Y2186-N2239 PolarHBondContact OH-O 2.84Å; Y2186-Q2240 VanDerWaalsContact CD2-C 3.49Å; Y2186-F2296 WeakPolarHBondContact O-CZ 3.23Å; Y2186-G2298 CarbonylContact O-C 3.59Å; Y2186-G2298 WeakPolarHBondContact O-CA 3.48Å; Y2186-C2299 PolarHBondContact N-O 3.03Å; Y2186-C2299 PolarHBondContact O-N 2.88Å; Y2186-A2335 HydrophobicContact CD1-CB 4.35Å; Y2186-A2335 HydrophobicContact CE1-CB 3.58Å; Y2186-A2335 PolarHBondContact OH-O 2.99Å; Y2186-L2336 HydrophobicContact CD2-CD1 4.07Å; Y2186-L2336 HydrophobicContact CE2-CD1 4.36Å |
| 2187 | P | 87.9 | Confident | 87.2 | Confident | 3 Ų | 3 | 19.6 Ų | 19.6 | 2% | 0.019 | 9% | 0.094 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -87.9 | 131.1 | -172.7 | 31.5 | -26 | 0 | 0 | 0 | 112.4 | F2185 L2210 N2239 Q2240 Y2242 F2296 | F2185-P2187 HydrophobicContact CD2-CB 4.36Å; F2185-P2187 HydrophobicContact CD2-CG 4.33Å; F2185-P2187 HydrophobicContact CE2-CB 4.25Å; F2185-P2187 HydrophobicContact CE2-CG 4.02Å; P2187-L2210 HydrophobicContact CB-CD1 3.95Å; P2187-N2239 PolarHBondContact O-N 3Å; P2187-Q2240 WeakPolarHBondContact CD-O 3.22Å; P2187-Y2242 HydrophobicContact CG-CD2 4.19Å; P2187-Y2242 HydrophobicContact CG-CE2 3.86Å; P2187-F2296 HydrophobicContact CB-CE2 3.93Å; P2187-F2296 HydrophobicContact CB-CZ 4.43Å |
| 2188 | E | 82 | Confident | 87.7 | Confident | 63 Ų | 63 | 18.7 Ų | 18.7 | 29% | 0.294 | 10% | 0.095 | S | C | . | . | S | Bend | trans | -91.7 | -35.5 | 166.3 | -69.5 | 170.2 | -153 | 0 | 0 | 110.7 | R2238 M2297 | E2188-R2238 WeakPolarHBondContact O-CD 3.35Å; E2188-M2297 HydrophobicContact CB-CE 3.91Å; E2188-M2297 PolarHBondContact N-O 3.44Å |
| 2189 | T | 80.9 | Confident | 87.7 | Confident | 40 Ų | 40 | 20.8 Ų | 20.8 | 25% | 0.245 | 10% | 0.102 | C | C | . | . | S | Bend | trans | -98.3 | 153.5 | 172.4 | 50 | 0 | 0 | 0 | 0 | 112.9 | K2191 M2297 | T2189-K2191 VanDerWaalsContact C-N 3.25Å; T2189-K2191 WeakPolarHBondContact CB-O 3.19Å; T2189-K2191 PolarHBondContact O-N 2.83Å; T2189-K2191 PolarHBondContact OG1-O 2.79Å; T2189-M2297 HydrophobicContact CG2-CB 3.82Å; T2189-M2297 HydrophobicContact CG2-CE 4.03Å; T2189-M2297 HydrophobicContact CG2-SD 4.25Å; T2189-M2297 PolarHBondContact N-O 3.15Å |
| 2190 | A | 78.7 | Confident | 87 | Confident | 7 Ų | 7 | 28.6 Ų | 28.6 | 6% | 0.058 | 14% | 0.141 | C | C | . | . | S | Bend | trans | -76 | -9.6 | 169.3 | 0 | 0 | 0 | 0 | 0 | 114 | D2212 S2213 | A2190-D2212 PolarHBondContact O-N 2.63Å; A2190-S2213 VanDerWaalsContact CB-OG 3.32Å; A2190-S2213 WeakPolarHBondContact CB-OG 3.45Å; A2190-S2213 PolarHBondContact O-N 3.36Å |
| 2191 | K | 83.5 | Confident | 86.1 | Confident | 114 Ų | 114 | 33.9 Ų | 33.9 | 50% | 0.496 | 17% | 0.166 | S | C | . | . | trans | -131.4 | 148.6 | -173.8 | -44.8 | -162.5 | -166.2 | -137.2 | 0 | 111 | T2189 L2210 D2212 | T2189-K2191 VanDerWaalsContact C-N 3.25Å; T2189-K2191 WeakPolarHBondContact CB-O 3.19Å; T2189-K2191 PolarHBondContact O-N 2.83Å; T2189-K2191 PolarHBondContact OG1-O 2.79Å; K2191-L2210 CarbonylContact C-O 3.55Å; K2191-L2210 VanDerWaalsContact CA-O 3.28Å; K2191-L2210 WeakPolarHBondContact CA-O 3.17Å; K2191-D2212 WeakPolarHBondContact CE-OD1 3.42Å; K2191-D2212 WeakPolarHBondContact CE-OD2 3.47Å; K2191-D2212 IonicContact NZ-OD1 3.06Å; K2191-D2212 PolarHBondContact NZ-OD1 3.46Å; K2191-D2212 IonicContact NZ-OD2 2.72Å; K2191-D2212 PolarHBondContact NZ-OD2 2.86Å | ||
| 2192 | G | 85.2 | Confident | 85.3 | Confident | 7 Ų | 7 | 38.2 Ų | 38.2 | 7% | 0.072 | 19% | 0.185 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 142.2 | 156.4 | 168.9 | 0 | 0 | 0 | 0 | 0 | 115 | M2209 L2210 | G2192-M2209 WeakPolarHBondContact O-CA 3.33Å; G2192-L2210 PolarHBondContact N-O 2.71Å; G2192-L2210 PolarHBondContact O-N 2.91Å |
| 2193 | T | 88.6 | Confident | 84.7 | Confident | 7 Ų | 7 | 41 Ų | 41 | 4% | 0.043 | 20% | 0.2 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -80.7 | 121.1 | -179.6 | -48.8 | 0 | 0 | 0 | 0 | 111.7 | G2285 S2294 F2296 | T2193-G2285 CarbonylContact O-C 3.38Å; T2193-G2285 WeakPolarHBondContact O-CA 3.27Å; T2193-S2294 PolarHBondContact N-O 2.94Å; T2193-S2294 VanDerWaalsContact N-O 3.14Å; T2193-S2294 PolarHBondContact OG1-O 2.79Å; T2193-F2296 WeakPolarHBondContact O-CB 3.36Å |
| 2194 | L | 90.4 | Very high | 84.4 | Confident | 0 Ų | 0 | 41.9 Ų | 41.9 | 0% | 0 | 20% | 0.204 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -81.4 | -50 | 176 | -71.9 | 165.8 | 0 | 0 | 0 | 111.4 | V2183 F2185 L2208 L2210 L2215 V2284 G2285 F2296 | V2183-L2194 HydrophobicContact CG1-CD2 4.47Å; F2185-L2194 HydrophobicContact CB-CD2 4.02Å; F2185-L2194 HydrophobicContact CD1-CD1 3.98Å; F2185-L2194 HydrophobicContact CD1-CD2 4.08Å; F2185-L2194 HydrophobicContact CD2-CD2 3.91Å; F2185-L2194 HydrophobicContact CE1-CD1 3.72Å; F2185-L2194 HydrophobicContact CE2-CD1 4.31Å; F2185-L2194 HydrophobicContact CE2-CD2 4.42Å; F2185-L2194 HydrophobicContact CG-CD1 4.37Å; F2185-L2194 HydrophobicContact CG-CD2 3.73Å; F2185-L2194 HydrophobicContact CZ-CD1 3.9Å; L2194-L2208 WeakPolarHBondContact CB-O 2.96Å; L2194-L2208 HydrophobicContact CD1-CG 4.5Å; L2194-L2208 PolarHBondContact N-O 2.81Å; L2194-L2210 HydrophobicContact CD1-CG 4.25Å; L2194-L2215 HydrophobicContact CD1-CD1 4.19Å; L2194-V2284 WeakPolarHBondContact O-CA 3.43Å; L2194-G2285 PolarHBondContact O-N 3.38Å; L2194-F2296 HydrophobicContact CD2-CB 4.47Å; L2194-F2296 HydrophobicContact CD2-CD1 4.12Å; L2194-F2296 HydrophobicContact CD2-CD2 3.47Å; L2194-F2296 VanDerWaalsContact CD2-CD2 3.47Å; L2194-F2296 HydrophobicContact CD2-CE1 4.19Å; L2194-F2296 HydrophobicContact CD2-CE2 3.54Å; L2194-F2296 HydrophobicContact CD2-CG 3.76Å; L2194-F2296 HydrophobicContact CD2-CZ 3.91Å; L2194-F2296 HydrophobicContact CG-CD2 4.23Å |
| 2195 | F | 92.5 | Very high | 84.2 | Confident | 1 Ų | 1 | 43 Ų | 43 | 0% | 0.004 | 21% | 0.212 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -147 | 143.2 | -174.1 | 173.4 | -103 | 0 | 0 | 0 | 111.2 | V2181 M2206 L2208 F2282 R2283 V2284 V2303 F2305 L2310 | V2181-F2195 HydrophobicContact CB-CD1 4.38Å; V2181-F2195 HydrophobicContact CB-CE1 4.35Å; V2181-F2195 HydrophobicContact CG1-CB 4.43Å; V2181-F2195 HydrophobicContact CG1-CD1 3.48Å; V2181-F2195 VanDerWaalsContact CG1-CD1 3.48Å; V2181-F2195 HydrophobicContact CG1-CE1 3.77Å; V2181-F2195 HydrophobicContact CG1-CG 3.98Å; V2181-F2195 HydrophobicContact CG1-CZ 4.5Å; V2181-F2195 HydrophobicContact CG2-CD1 3.92Å; V2181-F2195 HydrophobicContact CG2-CE1 3.6Å; F2195-M2206 HydrophobicContact CE1-CE 3.61Å; F2195-M2206 HydrophobicContact CZ-CE 4.35Å; F2195-L2208 HydrophobicContact CB-CB 4.35Å; F2195-L2208 PolarHBondContact N-O 2.97Å; F2195-L2208 VanDerWaalsContact N-O 3.16Å; F2195-L2208 PolarHBondContact O-N 3Å; F2195-F2282 HydrophobicContact CE2-CD1 4.13Å; F2195-F2282 AromaticContact CZ-CD1 3.81Å; F2195-F2282 HydrophobicContact CZ-CD1 3.81Å; F2195-F2282 HydrophobicContact CZ-CE1 4.12Å; F2195-R2283 WeakPolarHBondContact CA-O 3.06Å; F2195-R2283 VanDerWaalsContact CD2-O 3.24Å; F2195-R2283 WeakPolarHBondContact CD2-O 3.48Å; F2195-V2284 HydrophobicContact CD2-CG2 4.01Å; F2195-V2303 HydrophobicContact CD2-CG1 4.14Å; F2195-V2303 HydrophobicContact CE2-CG1 4.44Å; F2195-F2305 HydrophobicContact CE1-CD2 4.26Å; F2195-F2305 HydrophobicContact CZ-CB 4.35Å; F2195-F2305 HydrophobicContact CZ-CD2 4.03Å; F2195-F2305 HydrophobicContact CZ-CG 4.37Å; F2195-L2310 HydrophobicContact CE2-CD1 3.89Å |
| 2196 | S | 91.8 | Very high | 84.1 | Confident | 5 Ų | 5 | 43 Ų | 43 | 4% | 0.035 | 21% | 0.212 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -149 | 150.5 | 176.1 | 52.7 | 0 | 0 | 0 | 0 | 113.5 | M2206 R2283 | S2196-M2206 CarbonylContact C-O 3.56Å; S2196-M2206 VanDerWaalsContact CA-O 3.23Å; S2196-M2206 WeakPolarHBondContact CA-O 3.39Å; S2196-R2283 PolarHBondContact N-O 2.79Å; S2196-R2283 PolarHBondContact O-N 3.04Å |
| 2197 | A | 89.4 | Confident | 84.1 | Confident | 2 Ų | 2 | 44.1 Ų | 44.1 | 2% | 0.017 | 22% | 0.218 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -152.8 | 145.4 | 172.2 | 0 | 0 | 0 | 0 | 0 | 110.2 | M2206 Y2277 F2282 | A2197-M2206 HydrophobicContact CB-CE 3.98Å; A2197-M2206 PolarHBondContact N-O 2.85Å; A2197-M2206 PolarHBondContact O-N 2.71Å; A2197-Y2277 HydrophobicContact CB-CD1 3.81Å; A2197-Y2277 HydrophobicContact CB-CE1 4.36Å; A2197-Y2277 HydrophobicContact CB-CG 4.24Å; A2197-F2282 HydrophobicContact CB-CD1 3.74Å; A2197-F2282 HydrophobicContact CB-CD2 4.32Å; A2197-F2282 HydrophobicContact CB-CE1 3.73Å; A2197-F2282 HydrophobicContact CB-CE2 4.3Å; A2197-F2282 HydrophobicContact CB-CG 4.04Å; A2197-F2282 HydrophobicContact CB-CZ 4.01Å |
| 2198 | S | 88.5 | Confident | 84.3 | Confident | 32 Ų | 32 | 44 Ų | 44 | 22% | 0.224 | 22% | 0.217 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -154.6 | 170.9 | -173.2 | 65.9 | 0 | 0 | 0 | 0 | 114.6 | H2204 D2278 S2281 | S2198-H2204 CarbonylContact C-O 3.56Å; S2198-H2204 WeakPolarHBondContact CA-O 2.99Å; S2198-H2204 VanDerWaalsContact CB-O 3.3Å; S2198-H2204 WeakPolarHBondContact CB-O 3.41Å; S2198-D2278 PolarHBondContact O-N 2.93Å; S2198-S2281 PolarHBondContact N-OG 2.86Å; S2198-S2281 WeakPolarHBondContact O-CB 3.03Å; S2198-S2281 PolarHBondContact O-OG 3.01Å |
| 2199 | R | 82.8 | Confident | 84.6 | Confident | 78 Ų | 78 | 42.6 Ų | 42.6 | 29% | 0.294 | 21% | 0.21 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -141.3 | 95.1 | 165.8 | -174.7 | -178.1 | -178.1 | 163.5 | 10.8 | 108.6 | E2201 K2202 N2203 H2204 E2276 | R2199-E2201 HydrophobicContact CG-CB 4.37Å; R2199-E2201 IonicContact CZ-OE2 3.89Å; R2199-E2201 IonicContact NE-OE2 2.8Å; R2199-E2201 PolarHBondContact NE-OE2 2.84Å; R2199-E2201 IonicContact NH2-OE2 2.6Å; R2199-E2201 PolarHBondContact NH2-OE2 2.9Å; R2199-E2201 PolarHBondContact O-N 3.12Å; R2199-E2201 VanDerWaalsContact O-N 3.15Å; R2199-K2202 PolarHBondContact O-N 2.89Å; R2199-N2203 PolarHBondContact O-N 2.84Å; R2199-H2204 HydrophobicContact CB-CB 4.31Å; R2199-H2204 PolarHBondContact N-O 3.32Å; R2199-H2204 PolarHBondContact O-N 3.02Å; R2199-E2276 WeakPolarHBondContact CB-O 3.33Å; R2199-E2276 IonicContact CZ-OE2 3.54Å; R2199-E2276 IonicContact NH1-OE2 3.87Å; R2199-E2276 PolarHBondContact NH1-OE2 3.12Å |
| 2200 | M | 71.4 | Confident | 84.8 | Confident | 164 Ų | 164 | 40.8 Ų | 40.8 | 81% | 0.808 | 20% | 0.2 | S | C | * | . | G | 310 helix | trans | -46.9 | -44.5 | -179.2 | -65.5 | -69.3 | -146.5 | 0 | 0 | 112.6 | K2202 N2203 | M2200-K2202 PolarHBondContact O-N 3.12Å; M2200-N2203 PolarHBondContact O-N 3.24Å; M2200-N2203 VanDerWaalsContact O-N 3.11Å; M2200-N2203 PolarHBondContact O-OD1 2.82Å |
| 2201 | E | 69.4 | Low | 84.8 | Confident | 155 Ų | 155 | 43.1 Ų | 43.1 | 72% | 0.724 | 21% | 0.209 | S | C | * | . | G | 310 helix | trans | -56.8 | -19.3 | -179.2 | -56.5 | 175.4 | 136.4 | 0 | 0 | 115.4 | R2199 | R2199-E2201 HydrophobicContact CG-CB 4.37Å; R2199-E2201 IonicContact CZ-OE2 3.89Å; R2199-E2201 IonicContact NE-OE2 2.8Å; R2199-E2201 PolarHBondContact NE-OE2 2.84Å; R2199-E2201 IonicContact NH2-OE2 2.6Å; R2199-E2201 PolarHBondContact NH2-OE2 2.9Å; R2199-E2201 PolarHBondContact O-N 3.12Å; R2199-E2201 VanDerWaalsContact O-N 3.15Å |
| 2202 | K | 73.5 | Confident | 84.5 | Confident | 90 Ų | 90 | 42.3 Ų | 42.3 | 39% | 0.391 | 21% | 0.21 | S | C | . | . | G | 310 helix | trans | -122.6 | 4.8 | -179.1 | -68.4 | -166.8 | 170.6 | -176.5 | 0 | 113.1 | R2199 M2200 H2204 E2276 | R2199-K2202 PolarHBondContact O-N 2.89Å; M2200-K2202 PolarHBondContact O-N 3.12Å; K2202-H2204 PolarHBondContact O-CD2 2.8Å; K2202-H2204 VanDerWaalsContact O-CD2 3.28Å; K2202-H2204 PolarHBondContact O-N 2.86Å; K2202-E2276 WeakPolarHBondContact CE-OE2 3.23Å; K2202-E2276 VanDerWaalsContact NZ-CD 3.28Å; K2202-E2276 IonicContact NZ-OE1 3.06Å; K2202-E2276 PolarHBondContact NZ-OE1 2.76Å; K2202-E2276 IonicContact NZ-OE2 2.77Å; K2202-E2276 PolarHBondContact NZ-OE2 3.17Å |
| 2203 | N | 77.6 | Confident | 84.3 | Confident | 77 Ų | 77 | 43.1 Ų | 43.1 | 41% | 0.412 | 22% | 0.215 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 49.9 | 21.7 | -166.5 | -69.1 | -11.8 | 0 | 0 | 0 | 114.6 | R2199 M2200 S2205 S2220 P2223 | R2199-N2203 PolarHBondContact O-N 2.84Å; M2200-N2203 PolarHBondContact O-N 3.24Å; M2200-N2203 VanDerWaalsContact O-N 3.11Å; M2200-N2203 PolarHBondContact O-OD1 2.82Å; N2203-S2205 PolarHBondContact O-N 2.92Å; N2203-S2220 PolarHBondContact O-OG 2.72Å; N2203-P2223 WeakPolarHBondContact ND2-CB 3.43Å; N2203-P2223 WeakPolarHBondContact ND2-CD 3.32Å |
| 2204 | H | 86.5 | Confident | 83.9 | Confident | 18 Ų | 18 | 43.4 Ų | 43.4 | 8% | 0.083 | 22% | 0.217 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -72.7 | 124.5 | 172.7 | -66 | 178.3 | 0 | 0 | 0 | 109.1 | S2198 R2199 K2202 S2220 F2221 K2274 E2276 | S2198-H2204 CarbonylContact C-O 3.56Å; S2198-H2204 WeakPolarHBondContact CA-O 2.99Å; S2198-H2204 VanDerWaalsContact CB-O 3.3Å; S2198-H2204 WeakPolarHBondContact CB-O 3.41Å; R2199-H2204 HydrophobicContact CB-CB 4.31Å; R2199-H2204 PolarHBondContact N-O 3.32Å; R2199-H2204 PolarHBondContact O-N 3.02Å; K2202-H2204 PolarHBondContact O-CD2 2.8Å; K2202-H2204 VanDerWaalsContact O-CD2 3.28Å; K2202-H2204 PolarHBondContact O-N 2.86Å; H2204-S2220 CarbonylContact C-O 3.51Å; H2204-S2220 VanDerWaalsContact CA-O 3.32Å; H2204-S2220 WeakPolarHBondContact CA-O 3.36Å; H2204-F2221 PolarHBondContact CD2-O 2.97Å; H2204-F2221 VanDerWaalsContact CD2-O 3.25Å; H2204-K2274 PolarHBondContact CE1-O 3.17Å; H2204-K2274 VanDerWaalsContact CE1-O 3.25Å; H2204-E2276 VanDerWaalsContact CB-O 3.3Å; H2204-E2276 WeakPolarHBondContact CB-O 3.21Å; H2204-E2276 PolarHBondContact ND1-N 3Å; H2204-E2276 PolarHBondContact ND1-O 3.42Å |
| 2205 | S | 88 | Confident | 83.6 | Confident | 23 Ų | 23 | 43.7 Ų | 43.7 | 16% | 0.161 | 22% | 0.218 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -150.3 | 143.9 | 172 | 74 | 0 | 0 | 0 | 0 | 113.4 | N2203 H2207 L2219 S2220 M2275 | N2203-S2205 PolarHBondContact O-N 2.92Å; S2205-H2207 PolarHBondContact OG-CE1 2.78Å; S2205-L2219 CarbonylContact O-C 3.53Å; S2205-L2219 WeakPolarHBondContact O-CA 3.39Å; S2205-S2220 PolarHBondContact N-O 3.1Å; S2205-S2220 PolarHBondContact O-N 2.87Å; S2205-S2220 WeakPolarHBondContact OG-CB 3.35Å; S2205-M2275 VanDerWaalsContact C-CE 3.45Å; S2205-M2275 WeakPolarHBondContact O-CE 3.38Å |
| 2206 | M | 89.2 | Confident | 83.2 | Confident | 0 Ų | 0 | 44 Ų | 44 | 0% | 0 | 22% | 0.22 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128 | 127.3 | 179.2 | 173.3 | -179.6 | 54.5 | 0 | 0 | 108.1 | V2181 F2195 S2196 A2197 Y2217 L2218 L2219 M2275 Y2277 F2305 | V2181-M2206 HydrophobicContact CG2-CE 4.33Å; V2181-M2206 HydrophobicContact CG2-SD 3.96Å; F2195-M2206 HydrophobicContact CE1-CE 3.61Å; F2195-M2206 HydrophobicContact CZ-CE 4.35Å; S2196-M2206 CarbonylContact C-O 3.56Å; S2196-M2206 VanDerWaalsContact CA-O 3.23Å; S2196-M2206 WeakPolarHBondContact CA-O 3.39Å; A2197-M2206 HydrophobicContact CB-CE 3.98Å; A2197-M2206 PolarHBondContact N-O 2.85Å; A2197-M2206 PolarHBondContact O-N 2.71Å; M2206-Y2217 HydrophobicContact CG-CE2 3.57Å; M2206-Y2217 HydrophobicContact SD-CE2 3.81Å; M2206-Y2217 PolarHBondContact SD-OH 3.35Å; M2206-L2218 WeakPolarHBondContact CA-O 3.39Å; M2206-L2219 HydrophobicContact CB-CD2 4.15Å; M2206-L2219 HydrophobicContact CG-CD2 3.98Å; M2206-M2275 HydrophobicContact CB-CE 3.94Å; M2206-M2275 HydrophobicContact CB-SD 4.37Å; M2206-Y2277 HydrophobicContact CB-CE1 3.93Å; M2206-Y2277 HydrophobicContact CE-CE1 3.73Å; M2206-Y2277 HydrophobicContact SD-CE1 4.49Å; M2206-F2305 HydrophobicContact CE-CD2 4.41Å; M2206-F2305 HydrophobicContact CE-CE2 3.78Å; M2206-F2305 HydrophobicContact CE-CZ 4.47Å |
| 2207 | H | 89.3 | Confident | 83 | Confident | 41 Ų | 41 | 43.9 Ų | 43.9 | 19% | 0.19 | 22% | 0.218 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.3 | 132.8 | 176.3 | -54.7 | 85.1 | 0 | 0 | 0 | 109.9 | S2205 Y2217 L2218 | S2205-H2207 PolarHBondContact OG-CE1 2.78Å; H2207-Y2217 WeakPolarHBondContact O-CA 3.46Å; H2207-L2218 HydrophobicContact CB-CB 4.29Å; H2207-L2218 PolarHBondContact N-O 2.93Å; H2207-L2218 PolarHBondContact O-N 3.11Å |
| 2208 | L | 91.1 | Very high | 82.9 | Confident | 0 Ų | 0 | 45.9 Ų | 45.9 | 0% | 0 | 23% | 0.229 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.9 | 120.8 | 167.4 | -177.3 | 62.8 | 0 | 0 | 0 | 107.3 | V2181 V2183 L2194 F2195 L2215 Y2217 V2244 V2246 | V2181-L2208 HydrophobicContact CG1-CD2 4.1Å; V2183-L2208 HydrophobicContact CG2-CD2 3.95Å; L2194-L2208 WeakPolarHBondContact CB-O 2.96Å; L2194-L2208 HydrophobicContact CD1-CG 4.5Å; L2194-L2208 PolarHBondContact N-O 2.81Å; F2195-L2208 HydrophobicContact CB-CB 4.35Å; F2195-L2208 PolarHBondContact N-O 2.97Å; F2195-L2208 VanDerWaalsContact N-O 3.16Å; F2195-L2208 PolarHBondContact O-N 3Å; L2208-L2215 HydrophobicContact CD1-CD1 3.77Å; L2208-L2215 HydrophobicContact CD1-CD2 4.31Å; L2208-L2215 HydrophobicContact CD1-CG 4Å; L2208-L2215 HydrophobicContact CG-CD1 4.27Å; L2208-Y2217 HydrophobicContact CB-CD2 4.48Å; L2208-Y2217 HydrophobicContact CD1-CD2 4.27Å; L2208-V2244 HydrophobicContact CD2-CG1 4.09Å; L2208-V2246 HydrophobicContact CD1-CG2 3.81Å; L2208-V2246 HydrophobicContact CD2-CG2 4.17Å |
| 2209 | M | 88.6 | Confident | 82.9 | Confident | 33 Ų | 33 | 44.3 Ų | 44.3 | 16% | 0.163 | 22% | 0.218 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -146.9 | 158.2 | -168.9 | 62.2 | -163 | -64.7 | 0 | 0 | 112.4 | G2192 E2211 N2216 | G2192-M2209 WeakPolarHBondContact O-CA 3.33Å; M2209-E2211 HydrophobicContact CE-CG 3.87Å; M2209-E2211 VanDerWaalsContact CE-OE1 3.26Å; M2209-E2211 WeakPolarHBondContact CE-OE1 3.31Å; M2209-E2211 HydrophobicContact CG-CG 4.45Å; M2209-N2216 HydrophobicContact CG-CB 4.27Å; M2209-N2216 PolarHBondContact N-O 3.22Å; M2209-N2216 PolarHBondContact O-N 2.64Å |
| 2210 | L | 85.1 | Confident | 83.1 | Confident | 3 Ų | 3 | 41.1 Ų | 41.1 | 2% | 0.016 | 21% | 0.208 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -97.3 | 132.2 | 167.2 | -64.1 | 167.1 | 0 | 0 | 0 | 108.5 | F2185 P2187 K2191 G2192 L2194 V2214 L2215 L2236 F2296 | F2185-L2210 HydrophobicContact CE2-CD1 3.84Å; F2185-L2210 HydrophobicContact CE2-CD2 4.37Å; F2185-L2210 HydrophobicContact CZ-CD1 4.46Å; F2185-L2210 HydrophobicContact CZ-CD2 4.26Å; P2187-L2210 HydrophobicContact CB-CD1 3.95Å; K2191-L2210 CarbonylContact C-O 3.55Å; K2191-L2210 VanDerWaalsContact CA-O 3.28Å; K2191-L2210 WeakPolarHBondContact CA-O 3.17Å; G2192-L2210 PolarHBondContact N-O 2.71Å; G2192-L2210 PolarHBondContact O-N 2.91Å; L2194-L2210 HydrophobicContact CD1-CG 4.25Å; L2210-V2214 WeakPolarHBondContact CA-O 3.34Å; L2210-L2215 HydrophobicContact CD2-CD1 4.35Å; L2210-L2236 HydrophobicContact CD2-CD1 3.81Å; L2210-F2296 HydrophobicContact CD1-CD2 4Å; L2210-F2296 HydrophobicContact CD1-CE2 3.83Å |
| 2211 | E | 78.5 | Confident | 83.5 | Confident | 56 Ų | 56 | 33.6 Ų | 33.6 | 26% | 0.262 | 17% | 0.17 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -133.1 | 122.2 | 167.2 | -67.2 | 172.4 | 148.3 | 0 | 0 | 107.1 | M2209 S2213 V2214 N2216 K2228 | M2209-E2211 HydrophobicContact CE-CG 3.87Å; M2209-E2211 VanDerWaalsContact CE-OE1 3.26Å; M2209-E2211 WeakPolarHBondContact CE-OE1 3.31Å; M2209-E2211 HydrophobicContact CG-CG 4.45Å; E2211-S2213 PolarHBondContact O-N 2.94Å; E2211-S2213 VanDerWaalsContact O-N 3.11Å; E2211-V2214 PolarHBondContact N-O 2.99Å; E2211-V2214 PolarHBondContact O-N 3.22Å; E2211-N2216 PolarHBondContact OE2-ND2 2.63Å; E2211-K2228 IonicContact OE1-NZ 2.71Å; E2211-K2228 WeakPolarHBondContact OE2-CE 3.33Å; E2211-K2228 IonicContact OE2-NZ 3.13Å; E2211-K2228 PolarHBondContact OE2-NZ 2.81Å |
| 2212 | D | 78.2 | Confident | 83.6 | Confident | 96 Ų | 96 | 27.3 Ų | 27.3 | 51% | 0.513 | 15% | 0.145 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 47.9 | 40.7 | -179.1 | -64.1 | -69.2 | 0 | 0 | 0 | 114.9 | A2190 K2191 V2214 | A2190-D2212 PolarHBondContact O-N 2.63Å; K2191-D2212 WeakPolarHBondContact CE-OD1 3.42Å; K2191-D2212 WeakPolarHBondContact CE-OD2 3.47Å; K2191-D2212 IonicContact NZ-OD1 3.06Å; K2191-D2212 PolarHBondContact NZ-OD1 3.46Å; K2191-D2212 IonicContact NZ-OD2 2.72Å; K2191-D2212 PolarHBondContact NZ-OD2 2.86Å; D2212-V2214 PolarHBondContact O-N 3.3Å |
| 2213 | S | 80.4 | Confident | 83.2 | Confident | 24 Ų | 24 | 27 Ų | 27 | 17% | 0.168 | 15% | 0.152 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 71.8 | 9.4 | -178.6 | -26.7 | 0 | 0 | 0 | 0 | 114.5 | A2190 E2211 L2236 | A2190-S2213 VanDerWaalsContact CB-OG 3.32Å; A2190-S2213 WeakPolarHBondContact CB-OG 3.45Å; A2190-S2213 PolarHBondContact O-N 3.36Å; E2211-S2213 PolarHBondContact O-N 2.94Å; E2211-S2213 VanDerWaalsContact O-N 3.11Å; S2213-L2236 WeakPolarHBondContact CB-O 3.32Å; S2213-L2236 WeakPolarHBondContact O-CB 3.35Å; S2213-L2236 PolarHBondContact O-N 3.07Å |
| 2214 | V | 80.2 | Confident | 82.6 | Confident | 14 Ų | 14 | 30.3 Ų | 30.3 | 9% | 0.085 | 17% | 0.17 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -102.9 | 140.2 | 174 | -175.3 | 0 | 0 | 0 | 0 | 109.9 | L2210 E2211 D2212 R2230 T2235 | L2210-V2214 WeakPolarHBondContact CA-O 3.34Å; E2211-V2214 PolarHBondContact N-O 2.99Å; E2211-V2214 PolarHBondContact O-N 3.22Å; D2212-V2214 PolarHBondContact O-N 3.3Å; V2214-R2230 HydrophobicContact CG1-CG 3.82Å; V2214-T2235 HydrophobicContact CG2-CG2 3.98Å |
| 2215 | L | 83.5 | Confident | 82 | Confident | 5 Ų | 5 | 31 Ų | 31 | 3% | 0.026 | 18% | 0.175 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -80.9 | 119.3 | 175.2 | -172.5 | 79.3 | 0 | 0 | 0 | 110.4 | L2194 L2208 L2210 L2236 V2244 | L2194-L2215 HydrophobicContact CD1-CD1 4.19Å; L2208-L2215 HydrophobicContact CD1-CD1 3.77Å; L2208-L2215 HydrophobicContact CD1-CD2 4.31Å; L2208-L2215 HydrophobicContact CD1-CG 4Å; L2208-L2215 HydrophobicContact CG-CD1 4.27Å; L2210-L2215 HydrophobicContact CD2-CD1 4.35Å; L2215-L2236 HydrophobicContact CB-CD1 4.21Å; L2215-V2244 HydrophobicContact CD1-CG1 4.39Å; L2215-V2244 HydrophobicContact CD1-CG2 4.22Å; L2215-V2244 HydrophobicContact CD2-CB 4.41Å; L2215-V2244 HydrophobicContact CD2-CG1 3.61Å; L2215-V2244 HydrophobicContact CD2-CG2 3.83Å |
| 2216 | N | 84.5 | Confident | 81.4 | Confident | 9 Ų | 9 | 33.3 Ų | 33.3 | 5% | 0.048 | 19% | 0.189 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.4 | 136.6 | 178 | -72.5 | -25.9 | 0 | 0 | 0 | 111.3 | M2209 E2211 K2228 R2230 | M2209-N2216 HydrophobicContact CG-CB 4.27Å; M2209-N2216 PolarHBondContact N-O 3.22Å; M2209-N2216 PolarHBondContact O-N 2.64Å; E2211-N2216 PolarHBondContact OE2-ND2 2.63Å; N2216-K2228 WeakPolarHBondContact ND2-CE 3.32Å; N2216-R2230 WeakPolarHBondContact OD1-CA 3.22Å; N2216-R2230 WeakPolarHBondContact OD1-CB 3.17Å; N2216-R2230 WeakPolarHBondContact OD1-CG 3.46Å |
| 2217 | Y | 88.1 | Confident | 80.9 | Confident | 1 Ų | 1 | 34.8 Ų | 34.8 | 0% | 0.004 | 20% | 0.197 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.1 | 110.1 | 178.2 | -177.4 | -127.7 | 0 | 0 | 0 | 109.8 | M2206 H2207 L2208 L2219 T2229 V2246 V2253 | M2206-Y2217 HydrophobicContact CG-CE2 3.57Å; M2206-Y2217 HydrophobicContact SD-CE2 3.81Å; M2206-Y2217 PolarHBondContact SD-OH 3.35Å; H2207-Y2217 WeakPolarHBondContact O-CA 3.46Å; L2208-Y2217 HydrophobicContact CB-CD2 4.48Å; L2208-Y2217 HydrophobicContact CD1-CD2 4.27Å; Y2217-L2219 HydrophobicContact CD1-CD1 4.09Å; Y2217-L2219 HydrophobicContact CD1-CG 4.19Å; Y2217-L2219 HydrophobicContact CE1-CD1 3.64Å; Y2217-L2219 HydrophobicContact CE1-CD2 3.93Å; Y2217-L2219 HydrophobicContact CE1-CG 3.85Å; Y2217-L2219 HydrophobicContact CE2-CD2 4.28Å; Y2217-T2229 PolarHBondContact N-O 2.84Å; Y2217-T2229 PolarHBondContact O-N 3.42Å; Y2217-T2229 PolarHBondContact O-OG1 3.11Å; Y2217-T2229 VanDerWaalsContact O-OG1 3.12Å; Y2217-V2246 HydrophobicContact CD1-CG1 3.53Å; Y2217-V2246 HydrophobicContact CD2-CG1 3.82Å; Y2217-V2246 HydrophobicContact CE1-CG1 3.41Å; Y2217-V2246 VanDerWaalsContact CE1-CG1 3.41Å; Y2217-V2246 HydrophobicContact CE2-CG1 3.72Å; Y2217-V2246 HydrophobicContact CG-CG1 3.72Å; Y2217-V2253 HydrophobicContact CD1-CG1 3.92Å; Y2217-V2253 HydrophobicContact CD1-CG2 4.29Å; Y2217-V2253 HydrophobicContact CE1-CG1 4.18Å; Y2217-V2253 HydrophobicContact CE1-CG2 4.1Å |
| 2218 | L | 87.6 | Confident | 80.3 | Confident | 44 Ų | 44 | 38 Ų | 38 | 23% | 0.23 | 21% | 0.211 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.3 | 127.8 | -174.5 | -172.3 | 71 | 0 | 0 | 0 | 110.2 | M2206 H2207 T2226 K2228 | M2206-L2218 WeakPolarHBondContact CA-O 3.39Å; H2207-L2218 HydrophobicContact CB-CB 4.29Å; H2207-L2218 PolarHBondContact N-O 2.93Å; H2207-L2218 PolarHBondContact O-N 3.11Å; L2218-T2226 HydrophobicContact CD1-CG2 3.67Å; L2218-T2226 HydrophobicContact CG-CG2 4.09Å; L2218-K2228 HydrophobicContact CD1-CB 3.77Å; L2218-K2228 HydrophobicContact CD1-CD 4.39Å; L2218-K2228 HydrophobicContact CD1-CG 4.03Å |
| 2219 | L | 88.3 | Confident | 79.6 | Confident | 0 Ų | 0 | 38.6 Ų | 38.6 | 0% | 0 | 22% | 0.215 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.2 | 110.7 | -177.1 | -69.1 | 170.9 | 0 | 0 | 0 | 110.5 | S2205 M2206 Y2217 F2221 T2226 V2227 V2253 L2267 M2275 | S2205-L2219 CarbonylContact O-C 3.53Å; S2205-L2219 WeakPolarHBondContact O-CA 3.39Å; M2206-L2219 HydrophobicContact CB-CD2 4.15Å; M2206-L2219 HydrophobicContact CG-CD2 3.98Å; Y2217-L2219 HydrophobicContact CD1-CD1 4.09Å; Y2217-L2219 HydrophobicContact CD1-CG 4.19Å; Y2217-L2219 HydrophobicContact CE1-CD1 3.64Å; Y2217-L2219 HydrophobicContact CE1-CD2 3.93Å; Y2217-L2219 HydrophobicContact CE1-CG 3.85Å; Y2217-L2219 HydrophobicContact CE2-CD2 4.28Å; L2219-F2221 HydrophobicContact CB-CE2 3.89Å; L2219-F2221 HydrophobicContact CB-CZ 4.02Å; L2219-F2221 HydrophobicContact CD1-CE2 4.48Å; L2219-F2221 HydrophobicContact CD1-CZ 4.12Å; L2219-T2226 CarbonylContact O-C 3.58Å; L2219-T2226 WeakPolarHBondContact O-CA 3.48Å; L2219-V2227 PolarHBondContact N-O 3.14Å; L2219-V2227 PolarHBondContact O-N 3.46Å; L2219-V2253 HydrophobicContact CD1-CG2 4.33Å; L2219-L2267 HydrophobicContact CD1-CD1 3.51Å; L2219-L2267 HydrophobicContact CD1-CD2 4.22Å; L2219-M2275 HydrophobicContact CB-CE 4.43Å; L2219-M2275 HydrophobicContact CD2-CE 3.66Å; L2219-M2275 HydrophobicContact CD2-SD 3.77Å |
| 2220 | S | 85.3 | Confident | 78.6 | Confident | 11 Ų | 11 | 44.2 Ų | 44.2 | 8% | 0.077 | 23% | 0.234 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -101.5 | 130.2 | 169.9 | -167.1 | 0 | 0 | 0 | 0 | 110.2 | N2203 H2204 S2205 A2222 V2225 T2226 M2275 | N2203-S2220 PolarHBondContact O-OG 2.72Å; H2204-S2220 CarbonylContact C-O 3.51Å; H2204-S2220 VanDerWaalsContact CA-O 3.32Å; H2204-S2220 WeakPolarHBondContact CA-O 3.36Å; S2205-S2220 PolarHBondContact N-O 3.1Å; S2205-S2220 PolarHBondContact O-N 2.87Å; S2205-S2220 WeakPolarHBondContact OG-CB 3.35Å; S2220-A2222 PolarHBondContact OG-O 2.56Å; S2220-V2225 WeakPolarHBondContact CA-O 3.35Å; S2220-T2226 WeakPolarHBondContact CB-OG1 3.38Å; S2220-T2226 PolarHBondContact OG-OG1 2.75Å; S2220-M2275 VanDerWaalsContact O-CE 3.3Å; S2220-M2275 WeakPolarHBondContact O-CE 3.45Å |
| 2221 | F | 81 | Confident | 77.7 | Confident | 5 Ų | 5 | 45.2 Ų | 45.2 | 2% | 0.022 | 24% | 0.237 | C | C | . | . | S | Bend | trans | -117.6 | -13.8 | -178.2 | -60.3 | -76.2 | 0 | 0 | 0 | 113.4 | H2204 L2219 V2225 V2227 L2267 I2269 Y2273 M2275 | H2204-F2221 PolarHBondContact CD2-O 2.97Å; H2204-F2221 VanDerWaalsContact CD2-O 3.25Å; L2219-F2221 HydrophobicContact CB-CE2 3.89Å; L2219-F2221 HydrophobicContact CB-CZ 4.02Å; L2219-F2221 HydrophobicContact CD1-CE2 4.48Å; L2219-F2221 HydrophobicContact CD1-CZ 4.12Å; F2221-V2225 HydrophobicContact CB-CB 4.46Å; F2221-V2225 HydrophobicContact CB-CG1 4.27Å; F2221-V2225 HydrophobicContact CD2-CG1 4.24Å; F2221-V2225 PolarHBondContact N-O 2.97Å; F2221-V2227 HydrophobicContact CE2-CG2 4.39Å; F2221-L2267 HydrophobicContact CZ-CD1 4.41Å; F2221-I2269 HydrophobicContact CE2-CD1 3.97Å; F2221-I2269 HydrophobicContact CZ-CD1 4.36Å; F2221-Y2273 HydrophobicContact CB-CD1 3.69Å; F2221-Y2273 HydrophobicContact CB-CD2 4.35Å; F2221-Y2273 HydrophobicContact CB-CE1 4.38Å; F2221-Y2273 HydrophobicContact CB-CG 3.69Å; F2221-Y2273 HydrophobicContact CD1-CG 4.2Å; F2221-Y2273 HydrophobicContact CD2-CG 4.46Å; F2221-Y2273 HydrophobicContact CG-CD1 4.41Å; F2221-Y2273 HydrophobicContact CG-CD2 4.4Å; F2221-Y2273 AromaticContact CG-CG 3.9Å; F2221-Y2273 HydrophobicContact CG-CG 3.9Å; F2221-M2275 HydrophobicContact CD1-CB 4.46Å; F2221-M2275 HydrophobicContact CD1-CE 4.42Å; F2221-M2275 HydrophobicContact CD1-CG 4.27Å; F2221-M2275 HydrophobicContact CD1-SD 4.49Å; F2221-M2275 HydrophobicContact CE1-CB 4.24Å; F2221-M2275 HydrophobicContact CE1-CE 4.32Å; F2221-M2275 HydrophobicContact CE1-CG 4.21Å; F2221-M2275 HydrophobicContact CE1-SD 4.03Å |
| 2222 | A | 70.7 | Confident | 76.6 | Confident | 23 Ų | 23 | 45.6 Ų | 45.6 | 19% | 0.19 | 25% | 0.245 | C | C | . | . | S | Bend | trans | -162.8 | 165.3 | 178 | 0 | 0 | 0 | 0 | 0 | 106.4 | S2220 D2224 V2225 | S2220-A2222 PolarHBondContact OG-O 2.56Å; A2222-D2224 PolarHBondContact O-N 3.05Å; A2222-D2224 VanDerWaalsContact O-N 3.14Å; A2222-V2225 HydrophobicContact CB-CB 3.93Å; A2222-V2225 HydrophobicContact CB-CG2 3.93Å; A2222-V2225 PolarHBondContact O-N 3.26Å |
| 2223 | P | 64.8 | Low | 75.7 | Confident | 83 Ų | 83 | 49 Ų | 49 | 54% | 0.539 | 25% | 0.251 | S | S | . | . | S | Bend | trans | -47.2 | -44.5 | 176.1 | 9.4 | -20.9 | 0 | 0 | 0 | 113 | N2203 | N2203-P2223 WeakPolarHBondContact ND2-CB 3.43Å; N2203-P2223 WeakPolarHBondContact ND2-CD 3.32Å |
| 2224 | D | 65.2 | Low | 74.8 | Confident | 148 Ų | 148 | 48.9 Ų | 48.9 | 79% | 0.791 | 25% | 0.248 | S | C | * | . | S | Bend | trans | -97.2 | -10.3 | -171.2 | -24.7 | -76.3 | 0 | 0 | 0 | 112.6 | A2222 | A2222-D2224 PolarHBondContact O-N 3.05Å; A2222-D2224 VanDerWaalsContact O-N 3.14Å |
| 2225 | V | 73.5 | Confident | 74.4 | Confident | 33 Ų | 33 | 52.2 Ų | 52.2 | 20% | 0.2 | 27% | 0.268 | C | S | . | . | trans | -107.5 | 79.4 | -176.7 | -172.4 | 0 | 0 | 0 | 0 | 109.4 | S2220 F2221 A2222 I2269 Y2273 | S2220-V2225 WeakPolarHBondContact CA-O 3.35Å; F2221-V2225 HydrophobicContact CB-CB 4.46Å; F2221-V2225 HydrophobicContact CB-CG1 4.27Å; F2221-V2225 HydrophobicContact CD2-CG1 4.24Å; F2221-V2225 PolarHBondContact N-O 2.97Å; A2222-V2225 HydrophobicContact CB-CB 3.93Å; A2222-V2225 HydrophobicContact CB-CG2 3.93Å; A2222-V2225 PolarHBondContact O-N 3.26Å; V2225-I2269 HydrophobicContact CG1-CG2 3.94Å; V2225-Y2273 HydrophobicContact CG1-CE2 4.02Å | ||
| 2226 | T | 75.6 | Confident | 74.2 | Confident | 71 Ų | 71 | 52.3 Ų | 52.3 | 44% | 0.436 | 27% | 0.269 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.2 | 117.8 | 177.3 | -59.9 | 0 | 0 | 0 | 0 | 110.9 | L2218 L2219 S2220 | L2218-T2226 HydrophobicContact CD1-CG2 3.67Å; L2218-T2226 HydrophobicContact CG-CG2 4.09Å; L2219-T2226 CarbonylContact O-C 3.58Å; L2219-T2226 WeakPolarHBondContact O-CA 3.48Å; S2220-T2226 WeakPolarHBondContact CB-OG1 3.38Å; S2220-T2226 PolarHBondContact OG-OG1 2.75Å |
| 2227 | V | 79.6 | Confident | 73.5 | Confident | 31 Ų | 31 | 53.9 Ų | 53.9 | 19% | 0.188 | 28% | 0.283 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.7 | 129.6 | -175.7 | -163.4 | 0 | 0 | 0 | 0 | 110 | L2219 F2221 L2267 I2269 | L2219-V2227 PolarHBondContact N-O 3.14Å; L2219-V2227 PolarHBondContact O-N 3.46Å; F2221-V2227 HydrophobicContact CE2-CG2 4.39Å; V2227-L2267 HydrophobicContact CB-CD2 4.07Å; V2227-L2267 HydrophobicContact CG1-CB 4.34Å; V2227-L2267 HydrophobicContact CG1-CD2 3.52Å; V2227-I2269 HydrophobicContact CG2-CG2 3.75Å |
| 2228 | K | 77.5 | Confident | 72.7 | Confident | 109 Ų | 109 | 60.8 Ų | 60.8 | 47% | 0.474 | 31% | 0.309 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.8 | 124.9 | 177.8 | -168.5 | 174.5 | -176.7 | 172.6 | 0 | 109.5 | E2211 N2216 L2218 | E2211-K2228 IonicContact OE1-NZ 2.71Å; E2211-K2228 WeakPolarHBondContact OE2-CE 3.33Å; E2211-K2228 IonicContact OE2-NZ 3.13Å; E2211-K2228 PolarHBondContact OE2-NZ 2.81Å; N2216-K2228 WeakPolarHBondContact ND2-CE 3.32Å; L2218-K2228 HydrophobicContact CD1-CB 3.77Å; L2218-K2228 HydrophobicContact CD1-CD 4.39Å; L2218-K2228 HydrophobicContact CD1-CG 4.03Å |
| 2229 | T | 74.4 | Confident | 71.9 | Confident | 12 Ų | 12 | 63.6 Ų | 63.6 | 7% | 0.074 | 33% | 0.325 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.7 | 121.7 | 172.9 | 31.8 | 0 | 0 | 0 | 0 | 110.3 | Y2217 T2265 L2267 | Y2217-T2229 PolarHBondContact N-O 2.84Å; Y2217-T2229 PolarHBondContact O-N 3.42Å; Y2217-T2229 PolarHBondContact O-OG1 3.11Å; Y2217-T2229 VanDerWaalsContact O-OG1 3.12Å; T2229-T2265 HydrophobicContact CG2-CG2 3.81Å; T2229-L2267 HydrophobicContact CG2-CD2 3.54Å |
| 2230 | R | 68.8 | Low | 71.2 | Confident | 151 Ų | 151 | 64.5 Ų | 64.5 | 57% | 0.57 | 33% | 0.329 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -106.6 | 148 | 179.4 | 177.5 | 178.6 | 179.5 | -168.9 | 1.6 | 109.2 | V2214 N2216 P2232 | V2214-R2230 HydrophobicContact CG1-CG 3.82Å; N2216-R2230 WeakPolarHBondContact OD1-CA 3.22Å; N2216-R2230 WeakPolarHBondContact OD1-CB 3.17Å; N2216-R2230 WeakPolarHBondContact OD1-CG 3.46Å; R2230-P2232 WeakPolarHBondContact O-CD 3.33Å |
| 2231 | W | 66.3 | Low | 71.1 | Confident | 23 Ų | 23 | 64 Ų | 64 | 9% | 0.087 | 33% | 0.325 | C | S | . | . | trans | -81.8 | 119.8 | 166.4 | -157.4 | -51.4 | 0 | 0 | 0 | 110.2 | L2234 L2255 L2257 F2261 | W2231-L2234 HydrophobicContact CD2-CD2 4.24Å; W2231-L2234 HydrophobicContact CG-CB 4.3Å; W2231-L2234 HydrophobicContact CG-CD2 4.46Å; W2231-L2234 HydrophobicContact CZ2-CD2 4.42Å; W2231-L2255 HydrophobicContact CB-CD1 4.3Å; W2231-L2255 HydrophobicContact CD2-CB 4.41Å; W2231-L2255 HydrophobicContact CD2-CD1 4.46Å; W2231-L2255 HydrophobicContact CE3-CB 3.54Å; W2231-L2255 HydrophobicContact CE3-CD1 4.01Å; W2231-L2255 HydrophobicContact CE3-CG 4.41Å; W2231-L2255 HydrophobicContact CH2-CB 4.16Å; W2231-L2255 VanDerWaalsContact CH2-O 3.26Å; W2231-L2255 WeakPolarHBondContact CH2-O 3.27Å; W2231-L2255 VanDerWaalsContact CZ3-C 3.5Å; W2231-L2255 HydrophobicContact CZ3-CB 3.4Å; W2231-L2257 HydrophobicContact CH2-CB 3.89Å; W2231-L2257 HydrophobicContact CZ3-CB 3.79Å; W2231-F2261 HydrophobicContact CH2-CB 3.98Å; W2231-F2261 WeakPolarHBondContact CH2-O 3.49Å; W2231-F2261 HydrophobicContact CZ2-CB 3.67Å | ||
| 2232 | P | 54.7 | Low | 71.4 | Confident | 64 Ų | 64 | 63.7 Ų | 63.7 | 42% | 0.416 | 32% | 0.324 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -68 | 134.8 | 177.8 | -19.9 | 33.3 | 0 | 0 | 0 | 112.6 | R2230 L2234 Y2263 | R2230-P2232 WeakPolarHBondContact O-CD 3.33Å; P2232-L2234 VanDerWaalsContact C-N 3.29Å; P2232-L2234 PolarHBondContact O-N 3.01Å; P2232-L2234 VanDerWaalsContact O-N 3.17Å; P2232-Y2263 HydrophobicContact CG-CE1 4.44Å; P2232-Y2263 HydrophobicContact CG-CE2 3.9Å |
| 2233 | R | 58.8 | Low | 72.3 | Confident | 169 Ų | 169 | 62.7 Ų | 62.7 | 64% | 0.638 | 32% | 0.315 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 62.2 | 17.5 | 166.6 | -54.3 | 179.2 | 176.2 | 178.5 | -3.9 | 116.9 | N2493 D2498 | R2233-N2493 PolarHBondContact NH1-OD1 3.49Å; R2233-N2493 PolarHBondContact NH2-OD1 2.97Å; R2233-D2498 IonicContact CZ-OD2 3.63Å; R2233-D2498 IonicContact NH2-OD1 3.17Å; R2233-D2498 IonicContact NH2-OD2 3.83Å; R2233-D2498 PolarHBondContact NH2-OD2 3.2Å |
| 2234 | L | 63.2 | Low | 73.5 | Confident | 21 Ų | 21 | 58.7 Ų | 58.7 | 11% | 0.11 | 29% | 0.289 | C | S | . | . | trans | -124.9 | 115.1 | 178.9 | -173.4 | 57.5 | 0 | 0 | 0 | 112.7 | W2231 P2232 L2257 F2261 | W2231-L2234 HydrophobicContact CD2-CD2 4.24Å; W2231-L2234 HydrophobicContact CG-CB 4.3Å; W2231-L2234 HydrophobicContact CG-CD2 4.46Å; W2231-L2234 HydrophobicContact CZ2-CD2 4.42Å; P2232-L2234 VanDerWaalsContact C-N 3.29Å; P2232-L2234 PolarHBondContact O-N 3.01Å; P2232-L2234 VanDerWaalsContact O-N 3.17Å; L2234-L2257 HydrophobicContact CD2-CD2 3.64Å; L2234-L2257 HydrophobicContact CG-CD2 4.38Å; L2234-F2261 HydrophobicContact CD2-CG 4.48Å | ||
| 2235 | T | 71.8 | Confident | 74.5 | Confident | 84 Ų | 84 | 52.7 Ų | 52.7 | 52% | 0.515 | 26% | 0.257 | S | S | . | . | trans | -108.1 | 136.3 | 177.9 | 44.8 | 0 | 0 | 0 | 0 | 112.1 | S1885 V2214 | S1885-T2235 PolarHBondContact OG-O 3.35Å; V2214-T2235 HydrophobicContact CG2-CG2 3.98Å | ||
| 2236 | L | 77.9 | Confident | 75.3 | Confident | 6 Ų | 6 | 51.1 Ų | 51.1 | 3% | 0.031 | 25% | 0.248 | C | C | . | . | trans | -96.4 | 96.1 | -175.3 | -54.8 | -177.4 | 0 | 0 | 0 | 109.8 | F2185 L2210 S2213 L2215 R2238 Y2242 L2257 | F2185-L2236 HydrophobicContact CZ-CD1 4.21Å; L2210-L2236 HydrophobicContact CD2-CD1 3.81Å; S2213-L2236 WeakPolarHBondContact CB-O 3.32Å; S2213-L2236 WeakPolarHBondContact O-CB 3.35Å; S2213-L2236 PolarHBondContact O-N 3.07Å; L2215-L2236 HydrophobicContact CB-CD1 4.21Å; L2236-R2238 PolarHBondContact O-N 2.84Å; L2236-Y2242 WeakPolarHBondContact CA-OH 3.2Å; L2236-Y2242 HydrophobicContact CB-CD2 4.39Å; L2236-Y2242 HydrophobicContact CB-CE1 4.19Å; L2236-Y2242 HydrophobicContact CB-CE2 3.8Å; L2236-Y2242 HydrophobicContact CD2-CD1 3.88Å; L2236-Y2242 HydrophobicContact CD2-CE1 3.68Å; L2236-Y2242 HydrophobicContact CD2-CG 4.42Å; L2236-Y2242 HydrophobicContact CG-CE1 4.46Å; L2236-L2257 HydrophobicContact CD2-CD1 4.13Å; L2236-L2257 HydrophobicContact CD2-CD2 3.58Å | ||
| 2237 | A | 70.3 | Confident | 75.9 | Confident | 43 Ų | 43 | 48.7 Ų | 48.7 | 36% | 0.355 | 23% | 0.231 | S | C | . | . | trans | -47.3 | 138.8 | 172.4 | 0 | 0 | 0 | 0 | 0 | 112.8 | S1885 Y2242 | S1885-A2237 PolarHBondContact OG-N 3.13Å; A2237-Y2242 WeakPolarHBondContact CA-OH 3.06Å; A2237-Y2242 PolarHBondContact N-OH 3.49Å; A2237-Y2242 WeakPolarHBondContact O-CE2 3.42Å; A2237-Y2242 PolarHBondContact O-OH 2.82Å | ||
| 2238 | R | 71.8 | Confident | 76.2 | Confident | 145 Ų | 145 | 47.3 Ų | 47.3 | 55% | 0.547 | 22% | 0.223 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -68.1 | 157.2 | 173.1 | -52 | 178.2 | -160.1 | -177.5 | 5.4 | 109.7 | E2188 L2236 Q2240 | E2188-R2238 WeakPolarHBondContact O-CD 3.35Å; L2236-R2238 PolarHBondContact O-N 2.84Å; R2238-Q2240 PolarHBondContact O-N 2.99Å |
| 2239 | N | 69.3 | Low | 76.3 | Confident | 104 Ų | 104 | 42.2 Ų | 42.2 | 56% | 0.556 | 20% | 0.201 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 63.7 | 28.9 | 179 | -54.5 | -29 | 0 | 0 | 0 | 116 | Y2186 P2187 | Y2186-N2239 VanDerWaalsContact CE2-C 3.47Å; Y2186-N2239 WeakPolarHBondContact CE2-O 3.27Å; Y2186-N2239 VanDerWaalsContact CZ-C 3.49Å; Y2186-N2239 WeakPolarHBondContact OH-CA 3.2Å; Y2186-N2239 PolarHBondContact OH-O 2.84Å; P2187-N2239 PolarHBondContact O-N 3Å |
| 2240 | Q | 74.6 | Confident | 76.4 | Confident | 18 Ų | 18 | 42 Ų | 42 | 8% | 0.084 | 20% | 0.199 | C | C | . | . | S | Bend | trans | -139.2 | 160.1 | 159.3 | 69.7 | 163.4 | -17.7 | 0 | 0 | 111.1 | T1883 S1885 Y2186 P2187 R2238 Y2242 | T1883-Q2240 PolarHBondContact O-NE2 3.27Å; T1883-Q2240 PolarHBondContact O-OE1 3.38Å; T1883-Q2240 PolarHBondContact OG1-OE1 2.83Å; S1885-Q2240 PolarHBondContact OG-NE2 2.99Å; S1885-Q2240 VanDerWaalsContact OG-NE2 3.09Å; Y2186-Q2240 VanDerWaalsContact CD2-C 3.49Å; P2187-Q2240 WeakPolarHBondContact CD-O 3.22Å; R2238-Q2240 PolarHBondContact O-N 2.99Å; Q2240-Y2242 HydrophobicContact CG-CE1 4.11Å; Q2240-Y2242 HydrophobicContact CG-CE2 3.97Å; Q2240-Y2242 WeakPolarHBondContact CG-OH 3.11Å; Q2240-Y2242 PolarHBondContact NE2-OH 3.24Å; Q2240-Y2242 VanDerWaalsContact O-CE2 3.31Å; Q2240-Y2242 WeakPolarHBondContact O-CE2 3.4Å |
| 2241 | S | 83.2 | Confident | 76.7 | Confident | 0 Ų | 0 | 35.9 Ų | 35.9 | 0% | 0 | 18% | 0.177 | C | C | . | . | trans | -94.2 | 145.3 | -176.3 | 30.2 | 0 | 0 | 0 | 0 | 114 | F2185 W2356 K2357 | F2185-S2241 CarbonylContact O-C 3.43Å; F2185-S2241 WeakPolarHBondContact O-CA 3.39Å; F2185-S2241 WeakPolarHBondContact O-CB 3.05Å; S2241-W2356 WeakPolarHBondContact CB-O 3.22Å; S2241-W2356 PolarHBondContact OG-O 3.25Å; S2241-K2357 WeakPolarHBondContact OG-CA 3.41Å | ||
| 2242 | Y | 87.9 | Confident | 77.2 | Confident | 0 Ų | 0 | 35.5 Ų | 35.5 | 0% | 0 | 18% | 0.177 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.2 | 144.4 | -177.5 | -58.3 | -76.5 | 0 | 0 | 0 | 111.7 | S1885 L2184 F2185 P2187 L2236 A2237 Q2240 L2257 D2258 | S1885-Y2242 PolarHBondContact OG-OH 3.31Å; L2184-Y2242 WeakPolarHBondContact CA-O 3.24Å; L2184-Y2242 WeakPolarHBondContact CD1-O 3.18Å; F2185-Y2242 AromaticContact CE2-CD2 3.85Å; F2185-Y2242 HydrophobicContact CE2-CD2 3.85Å; F2185-Y2242 HydrophobicContact CZ-CD2 4.01Å; F2185-Y2242 HydrophobicContact CZ-CG 4.29Å; F2185-Y2242 PolarHBondContact N-O 2.96Å; F2185-Y2242 PolarHBondContact O-N 2.84Å; P2187-Y2242 HydrophobicContact CG-CD2 4.19Å; P2187-Y2242 HydrophobicContact CG-CE2 3.86Å; L2236-Y2242 WeakPolarHBondContact CA-OH 3.2Å; L2236-Y2242 HydrophobicContact CB-CD2 4.39Å; L2236-Y2242 HydrophobicContact CB-CE1 4.19Å; L2236-Y2242 HydrophobicContact CB-CE2 3.8Å; L2236-Y2242 HydrophobicContact CD2-CD1 3.88Å; L2236-Y2242 HydrophobicContact CD2-CE1 3.68Å; L2236-Y2242 HydrophobicContact CD2-CG 4.42Å; L2236-Y2242 HydrophobicContact CG-CE1 4.46Å; A2237-Y2242 WeakPolarHBondContact CA-OH 3.06Å; A2237-Y2242 PolarHBondContact N-OH 3.49Å; A2237-Y2242 WeakPolarHBondContact O-CE2 3.42Å; A2237-Y2242 PolarHBondContact O-OH 2.82Å; Q2240-Y2242 HydrophobicContact CG-CE1 4.11Å; Q2240-Y2242 HydrophobicContact CG-CE2 3.97Å; Q2240-Y2242 WeakPolarHBondContact CG-OH 3.11Å; Q2240-Y2242 PolarHBondContact NE2-OH 3.24Å; Q2240-Y2242 VanDerWaalsContact O-CE2 3.31Å; Q2240-Y2242 WeakPolarHBondContact O-CE2 3.4Å; Y2242-L2257 HydrophobicContact CD1-CD1 4.1Å; Y2242-L2257 HydrophobicContact CD1-CD2 4.43Å; Y2242-L2257 HydrophobicContact CG-CD1 4.4Å; Y2242-D2258 WeakPolarHBondContact CA-OD1 3.34Å |
| 2243 | H | 88.4 | Confident | 78.6 | Confident | 1 Ų | 1 | 32.4 Ų | 32.4 | 1% | 0.005 | 16% | 0.157 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.5 | 108 | 171.6 | 173.4 | -77.9 | 0 | 0 | 0 | 109.6 | P2143 N2182 L2184 D2245 D2258 R2259 W2356 | P2143-H2243 HydrophobicContact CB-CB 4.32Å; P2143-H2243 VanDerWaalsContact CB-CD2 3.48Å; P2143-H2243 WeakPolarHBondContact CB-CD2 3.01Å; P2143-H2243 HydrophobicContact CG-CB 4.26Å; N2182-H2243 PolarHBondContact ND2-CE1 2.69Å; N2182-H2243 PolarHBondContact ND2-NE2 3.45Å; L2184-H2243 HydrophobicContact CD1-CB 4.25Å; H2243-D2245 IonicContact CE1-OD2 3.88Å; H2243-D2245 PolarHBondContact CE1-OD2 2.99Å; H2243-D2245 IonicContact ND1-OD2 3.18Å; H2243-D2258 PolarHBondContact N-OD1 3.43Å; H2243-D2258 PolarHBondContact O-N 3Å; H2243-R2259 PolarHBondContact CE1-NE 2.87Å; H2243-R2259 VanDerWaalsContact CE1-NE 3.32Å; H2243-R2259 PolarHBondContact NE2-NH2 2.77Å; H2243-W2356 HydrophobicContact CB-CH2 3.73Å; H2243-W2356 HydrophobicContact CB-CZ2 4.27Å; H2243-W2356 HydrophobicContact CB-CZ3 3.9Å |
| 2244 | V | 89.7 | Confident | 79.8 | Confident | 0 Ų | 0 | 24.6 Ų | 24.6 | 0% | 0 | 13% | 0.127 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -104 | 124.3 | -178.9 | 166.6 | 0 | 0 | 0 | 0 | 110.2 | N2182 V2183 F2185 L2208 L2215 V2246 V2256 L2257 | N2182-V2244 CarbonylContact C-O 3.5Å; N2182-V2244 WeakPolarHBondContact CA-O 3.49Å; V2183-V2244 PolarHBondContact N-O 3.4Å; V2183-V2244 PolarHBondContact O-N 3.01Å; F2185-V2244 HydrophobicContact CE1-CB 4.39Å; F2185-V2244 HydrophobicContact CE1-CG2 3.79Å; F2185-V2244 HydrophobicContact CZ-CG2 4.47Å; L2208-V2244 HydrophobicContact CD2-CG1 4.09Å; L2215-V2244 HydrophobicContact CD1-CG1 4.39Å; L2215-V2244 HydrophobicContact CD1-CG2 4.22Å; L2215-V2244 HydrophobicContact CD2-CB 4.41Å; L2215-V2244 HydrophobicContact CD2-CG1 3.61Å; L2215-V2244 HydrophobicContact CD2-CG2 3.83Å; V2244-V2246 HydrophobicContact CG1-CG2 3.71Å; V2244-V2256 WeakPolarHBondContact CA-O 3.24Å; V2244-L2257 HydrophobicContact CG2-CD1 3.57Å |
| 2245 | D | 87.6 | Confident | 80.8 | Confident | 21 Ų | 21 | 23.6 Ų | 23.6 | 11% | 0.112 | 12% | 0.122 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.9 | 137.7 | 156.6 | -66.3 | -75.7 | 0 | 0 | 0 | 109.7 | K2180 V2181 N2182 H2243 V2256 | K2180-D2245 VanDerWaalsContact CE-OD1 3.25Å; K2180-D2245 WeakPolarHBondContact CE-OD1 3.42Å; K2180-D2245 IonicContact NZ-OD1 2.93Å; V2181-D2245 CarbonylContact O-C 3.54Å; V2181-D2245 WeakPolarHBondContact O-CA 3Å; N2182-D2245 PolarHBondContact ND2-OD1 2.83Å; H2243-D2245 IonicContact CE1-OD2 3.88Å; H2243-D2245 PolarHBondContact CE1-OD2 2.99Å; H2243-D2245 IonicContact ND1-OD2 3.18Å; D2245-V2256 HydrophobicContact CB-CB 4.18Å; D2245-V2256 PolarHBondContact N-O 2.88Å; D2245-V2256 PolarHBondContact O-N 3.39Å |
| 2246 | V | 89.8 | Confident | 81.3 | Confident | 0 Ų | 0 | 20.8 Ų | 20.8 | 0% | 0 | 11% | 0.105 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.8 | 108.3 | 169.2 | 179.7 | 0 | 0 | 0 | 0 | 108.5 | K2180 V2181 L2208 Y2217 V2244 V2253 R2254 L2255 | K2180-V2246 CarbonylContact C-O 3.33Å; K2180-V2246 VanDerWaalsContact CA-O 3.25Å; K2180-V2246 WeakPolarHBondContact CA-O 3.41Å; V2181-V2246 HydrophobicContact CB-CB 4.45Å; V2181-V2246 PolarHBondContact N-O 2.8Å; V2181-V2246 PolarHBondContact O-N 2.91Å; L2208-V2246 HydrophobicContact CD1-CG2 3.81Å; L2208-V2246 HydrophobicContact CD2-CG2 4.17Å; Y2217-V2246 HydrophobicContact CD1-CG1 3.53Å; Y2217-V2246 HydrophobicContact CD2-CG1 3.82Å; Y2217-V2246 HydrophobicContact CE1-CG1 3.41Å; Y2217-V2246 VanDerWaalsContact CE1-CG1 3.41Å; Y2217-V2246 HydrophobicContact CE2-CG1 3.72Å; Y2217-V2246 HydrophobicContact CG-CG1 3.72Å; V2244-V2246 HydrophobicContact CG1-CG2 3.71Å; V2246-V2253 HydrophobicContact CG1-CG1 4.29Å; V2246-R2254 WeakPolarHBondContact CA-O 3.23Å; V2246-L2255 HydrophobicContact CB-CD2 4.17Å; V2246-L2255 HydrophobicContact CG1-CD2 3.74Å; V2246-L2255 HydrophobicContact CG2-CD2 3.61Å |
| 2247 | E | 87.5 | Confident | 81.5 | Confident | 20 Ų | 20 | 20.6 Ų | 20.6 | 9% | 0.093 | 10% | 0.104 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.7 | 106.7 | -178.8 | -177.2 | -174.1 | -127.8 | 0 | 0 | 111 | K2015 Y2178 K2180 R2254 | K2015-E2247 WeakPolarHBondContact CD-OE1 3.35Å; K2015-E2247 IonicContact NZ-OE1 3.64Å; K2015-E2247 PolarHBondContact NZ-OE1 3.48Å; K2015-E2247 IonicContact NZ-OE2 2.8Å; K2015-E2247 PolarHBondContact NZ-OE2 2.97Å; Y2178-E2247 HydrophobicContact CE2-CG 3.66Å; Y2178-E2247 WeakPolarHBondContact CE2-OE1 3.38Å; Y2178-E2247 PolarHBondContact OH-OE1 3.22Å; K2180-E2247 HydrophobicContact CB-CB 4.38Å; K2180-E2247 HydrophobicContact CB-CG 4.3Å; K2180-E2247 HydrophobicContact CG-CB 4.22Å; E2247-R2254 HydrophobicContact CB-CB 4.37Å; E2247-R2254 PolarHBondContact N-O 2.91Å; E2247-R2254 PolarHBondContact O-N 3.29Å; E2247-R2254 WeakPolarHBondContact OE2-CD 3.21Å; E2247-R2254 IonicContact OE2-CZ 3.31Å; E2247-R2254 IonicContact OE2-NE 2.59Å; E2247-R2254 IonicContact OE2-NH1 2.59Å; E2247-R2254 PolarHBondContact OE2-NH1 2.97Å |
| 2248 | R | 86.6 | Confident | 81.8 | Confident | 2 Ų | 2 | 19 Ų | 19 | 1% | 0.008 | 9% | 0.089 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -90.5 | 131 | 169.9 | -172.4 | -170.3 | 67 | 103.6 | -3.9 | 111.2 | G2176 Y2178 S2179 K2250 I2252 V2253 | G2176-R2248 PolarHBondContact O-NH2 3.04Å; Y2178-R2248 WeakPolarHBondContact CA-O 3.44Å; S2179-R2248 PolarHBondContact N-O 2.78Å; S2179-R2248 PolarHBondContact O-N 2.81Å; S2179-R2248 WeakPolarHBondContact OG-CB 3.49Å; S2179-R2248 PolarHBondContact OG-NE 3.48Å; S2179-R2248 VanDerWaalsContact OG-NE 3.08Å; R2248-K2250 WeakPolarHBondContact CD-O 3.37Å; R2248-K2250 WeakPolarHBondContact CG-O 3.35Å; R2248-K2250 PolarHBondContact NH1-O 2.8Å; R2248-I2252 CarbonylContact C-O 3.47Å; R2248-I2252 VanDerWaalsContact CA-O 3.24Å; R2248-I2252 WeakPolarHBondContact CA-O 3.35Å; R2248-V2253 HydrophobicContact CB-CG2 4.25Å; R2248-V2253 HydrophobicContact CG-CG2 4.03Å |
| 2249 | T | 79.1 | Confident | 81.9 | Confident | 3 Ų | 3 | 15.6 Ų | 15.6 | 2% | 0.018 | 8% | 0.077 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.2 | 105.2 | 169.3 | -52.6 | 0 | 0 | 0 | 0 | 108.4 | K2015 N2251 I2252 R2254 | K2015-T2249 WeakPolarHBondContact O-CG2 3.33Å; T2249-N2251 PolarHBondContact O-N 3.17Å; T2249-I2252 PolarHBondContact N-O 3.02Å; T2249-I2252 PolarHBondContact O-N 3.36Å; T2249-R2254 PolarHBondContact OG1-NH1 2.98Å |
| 2250 | K | 76.2 | Confident | 81.8 | Confident | 7 Ų | 7 | 11.6 Ų | 11.6 | 3% | 0.03 | 6% | 0.055 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 53.8 | -103.1 | -170.2 | -53.1 | 167.9 | -175.3 | 168.7 | 0 | 111.2 | L2031 E2035 Y2177 R2248 | L2031-K2250 HydrophobicContact CD1-CD 4.4Å; E2035-K2250 IonicContact OE1-NZ 3.88Å; E2035-K2250 PolarHBondContact OE1-NZ 3.17Å; E2035-K2250 IonicContact OE2-NZ 3.54Å; E2035-K2250 PolarHBondContact OE2-NZ 2.87Å; Y2177-K2250 HydrophobicContact CD1-CG 4.43Å; Y2177-K2250 PolarHBondContact O-N 2.84Å; R2248-K2250 WeakPolarHBondContact CD-O 3.37Å; R2248-K2250 WeakPolarHBondContact CG-O 3.35Å; R2248-K2250 PolarHBondContact NH1-O 2.8Å |
| 2251 | N | 75.6 | Confident | 81.7 | Confident | 22 Ų | 22 | 11.2 Ų | 11.2 | 12% | 0.118 | 5% | 0.053 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -100.6 | -16.7 | 178.9 | -58.5 | 19.6 | 0 | 0 | 0 | 111.8 | T2249 L2267 I2269 H2272 | T2249-N2251 PolarHBondContact O-N 3.17Å; N2251-L2267 HydrophobicContact CB-CB 4.39Å; N2251-L2267 VanDerWaalsContact O-CB 3.3Å; N2251-L2267 WeakPolarHBondContact O-CB 3.33Å; N2251-L2267 WeakPolarHBondContact O-CG 3.27Å; N2251-L2267 PolarHBondContact O-N 3.2Å; N2251-I2269 HydrophobicContact CB-CD1 4.38Å; N2251-I2269 HydrophobicContact CB-CG1 4.36Å; N2251-I2269 PolarHBondContact ND2-O 3.06Å; N2251-H2272 PolarHBondContact OD1-ND1 3.45Å |
| 2252 | I | 77.7 | Confident | 81.2 | Confident | 15 Ų | 15 | 13.2 Ų | 13.2 | 8% | 0.077 | 6% | 0.06 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -77.5 | 130.6 | 178.6 | -61.8 | 162.8 | 0 | 0 | 0 | 108.9 | F2003 I2012 R2248 T2249 R2254 V2264 T2265 T2266 | F2003-I2252 HydrophobicContact CD2-CD1 4.15Å; F2003-I2252 HydrophobicContact CE2-CD1 3.76Å; F2003-I2252 HydrophobicContact CZ-CD1 4.02Å; F2003-I2252 HydrophobicContact CZ-CG2 4.22Å; I2012-I2252 HydrophobicContact CD1-CD1 3.42Å; I2012-I2252 VanDerWaalsContact CD1-CD1 3.42Å; R2248-I2252 CarbonylContact C-O 3.47Å; R2248-I2252 VanDerWaalsContact CA-O 3.24Å; R2248-I2252 WeakPolarHBondContact CA-O 3.35Å; T2249-I2252 PolarHBondContact N-O 3.02Å; T2249-I2252 PolarHBondContact O-N 3.36Å; I2252-R2254 HydrophobicContact CG2-CG 4.26Å; I2252-V2264 HydrophobicContact CG2-CG1 3.9Å; I2252-T2265 CarbonylContact C-O 3.59Å; I2252-T2265 WeakPolarHBondContact CA-O 3.07Å; I2252-T2266 HydrophobicContact CG1-CG2 4Å |
| 2253 | V | 83.6 | Confident | 80.6 | Confident | 0 Ų | 0 | 16.6 Ų | 16.6 | 0% | 0 | 7% | 0.074 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.1 | 126 | 170.4 | 172.5 | 0 | 0 | 0 | 0 | 108.9 | Y2217 L2219 V2246 R2248 L2255 T2265 L2267 | Y2217-V2253 HydrophobicContact CD1-CG1 3.92Å; Y2217-V2253 HydrophobicContact CD1-CG2 4.29Å; Y2217-V2253 HydrophobicContact CE1-CG1 4.18Å; Y2217-V2253 HydrophobicContact CE1-CG2 4.1Å; L2219-V2253 HydrophobicContact CD1-CG2 4.33Å; V2246-V2253 HydrophobicContact CG1-CG1 4.29Å; R2248-V2253 HydrophobicContact CB-CG2 4.25Å; R2248-V2253 HydrophobicContact CG-CG2 4.03Å; V2253-L2255 HydrophobicContact CG1-CD2 3.89Å; V2253-L2255 HydrophobicContact CG1-CG 4.2Å; V2253-T2265 HydrophobicContact CB-CG2 4.31Å; V2253-T2265 PolarHBondContact N-O 2.91Å; V2253-T2265 PolarHBondContact O-N 2.81Å; V2253-L2267 HydrophobicContact CG2-CD1 3.74Å; V2253-L2267 HydrophobicContact CG2-CD2 3.99Å; V2253-L2267 HydrophobicContact CG2-CG 3.81Å |
| 2254 | R | 83.4 | Confident | 79.9 | Confident | 4 Ų | 4 | 17.6 Ų | 17.6 | 2% | 0.015 | 8% | 0.08 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.3 | 113.8 | 171.6 | -55.4 | 178.1 | -163.7 | 69.1 | -1.5 | 108 | E2001 V2246 E2247 T2249 I2252 Y2263 V2264 | E2001-R2254 IonicContact OE1-CZ 2.71Å; E2001-R2254 IonicContact OE1-NE 2.96Å; E2001-R2254 PolarHBondContact OE1-NE 3.03Å; E2001-R2254 IonicContact OE1-NH2 3.87Å; E2001-R2254 PolarHBondContact OE1-NH2 3.42Å; E2001-R2254 IonicContact OE2-CZ 2.67Å; E2001-R2254 IonicContact OE2-NE 3.78Å; E2001-R2254 IonicContact OE2-NH2 2.84Å; E2001-R2254 PolarHBondContact OE2-NH2 2.72Å; V2246-R2254 WeakPolarHBondContact CA-O 3.23Å; E2247-R2254 HydrophobicContact CB-CB 4.37Å; E2247-R2254 PolarHBondContact N-O 2.91Å; E2247-R2254 PolarHBondContact O-N 3.29Å; E2247-R2254 WeakPolarHBondContact OE2-CD 3.21Å; E2247-R2254 IonicContact OE2-CZ 3.31Å; E2247-R2254 IonicContact OE2-NE 2.59Å; E2247-R2254 IonicContact OE2-NH1 2.59Å; E2247-R2254 PolarHBondContact OE2-NH1 2.97Å; T2249-R2254 PolarHBondContact OG1-NH1 2.98Å; I2252-R2254 HydrophobicContact CG2-CG 4.26Å; R2254-Y2263 CarbonylContact C-O 3.5Å; R2254-Y2263 WeakPolarHBondContact CA-O 3.17Å; R2254-V2264 HydrophobicContact CB-CG2 4.31Å; R2254-V2264 HydrophobicContact CG-CB 4.42Å; R2254-V2264 HydrophobicContact CG-CG1 3.9Å; R2254-V2264 HydrophobicContact CG-CG2 3.92Å |
| 2255 | L | 83.7 | Confident | 79 | Confident | 1 Ų | 1 | 19.2 Ų | 19.2 | 1% | 0.005 | 9% | 0.09 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -94.7 | 130.1 | 168.4 | -54.2 | 178.8 | 0 | 0 | 0 | 107.9 | W2231 V2246 V2253 Y2263 | W2231-L2255 HydrophobicContact CB-CD1 4.3Å; W2231-L2255 HydrophobicContact CD2-CB 4.41Å; W2231-L2255 HydrophobicContact CD2-CD1 4.46Å; W2231-L2255 HydrophobicContact CE3-CB 3.54Å; W2231-L2255 HydrophobicContact CE3-CD1 4.01Å; W2231-L2255 HydrophobicContact CE3-CG 4.41Å; W2231-L2255 HydrophobicContact CH2-CB 4.16Å; W2231-L2255 VanDerWaalsContact CH2-O 3.26Å; W2231-L2255 WeakPolarHBondContact CH2-O 3.27Å; W2231-L2255 VanDerWaalsContact CZ3-C 3.5Å; W2231-L2255 HydrophobicContact CZ3-CB 3.4Å; V2246-L2255 HydrophobicContact CB-CD2 4.17Å; V2246-L2255 HydrophobicContact CG1-CD2 3.74Å; V2246-L2255 HydrophobicContact CG2-CD2 3.61Å; V2253-L2255 HydrophobicContact CG1-CD2 3.89Å; V2253-L2255 HydrophobicContact CG1-CG 4.2Å; L2255-Y2263 HydrophobicContact CD1-CD1 4.11Å; L2255-Y2263 HydrophobicContact CG-CD1 4.48Å; L2255-Y2263 PolarHBondContact N-O 2.83Å; L2255-Y2263 PolarHBondContact O-N 2.88Å; L2255-Y2263 VanDerWaalsContact O-O 3.12Å |
| 2256 | V | 82.9 | Confident | 78.1 | Confident | 25 Ų | 25 | 20.9 Ų | 20.9 | 15% | 0.152 | 10% | 0.1 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.9 | 125.7 | 174.5 | -169.7 | 0 | 0 | 0 | 0 | 108.7 | V2244 D2245 F2261 R2262 | V2244-V2256 WeakPolarHBondContact CA-O 3.24Å; D2245-V2256 HydrophobicContact CB-CB 4.18Å; D2245-V2256 PolarHBondContact N-O 2.88Å; D2245-V2256 PolarHBondContact O-N 3.39Å; V2256-F2261 CarbonylContact C-O 3.53Å; V2256-F2261 WeakPolarHBondContact CA-O 3.01Å; V2256-F2261 WeakPolarHBondContact CG1-O 3.4Å; V2256-R2262 HydrophobicContact CG2-CG 4.32Å |
| 2257 | L | 83.4 | Confident | 77.2 | Confident | 1 Ų | 1 | 21.2 Ų | 21.2 | 1% | 0.005 | 10% | 0.102 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.7 | 129.6 | 175.2 | -171.7 | 74.9 | 0 | 0 | 0 | 109.1 | T1886 W2231 L2234 L2236 Y2242 V2244 R2259 Q2260 F2261 | T1886-L2257 HydrophobicContact CG2-CD2 3.95Å; W2231-L2257 HydrophobicContact CH2-CB 3.89Å; W2231-L2257 HydrophobicContact CZ3-CB 3.79Å; L2234-L2257 HydrophobicContact CD2-CD2 3.64Å; L2234-L2257 HydrophobicContact CG-CD2 4.38Å; L2236-L2257 HydrophobicContact CD2-CD1 4.13Å; L2236-L2257 HydrophobicContact CD2-CD2 3.58Å; Y2242-L2257 HydrophobicContact CD1-CD1 4.1Å; Y2242-L2257 HydrophobicContact CD1-CD2 4.43Å; Y2242-L2257 HydrophobicContact CG-CD1 4.4Å; V2244-L2257 HydrophobicContact CG2-CD1 3.57Å; L2257-R2259 PolarHBondContact O-N 3.4Å; L2257-Q2260 PolarHBondContact O-N 2.86Å; L2257-F2261 HydrophobicContact CB-CB 4.28Å; L2257-F2261 PolarHBondContact N-O 2.97Å; L2257-F2261 PolarHBondContact O-N 2.93Å |
| 2258 | D | 76.1 | Confident | 76.1 | Confident | 10 Ų | 10 | 27.5 Ų | 27.5 | 5% | 0.053 | 13% | 0.132 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 57.3 | 13.8 | 173.5 | -54.9 | -23.4 | 0 | 0 | 0 | 115.2 | T1886 Y2242 H2243 Q2260 W2356 K2357 | T1886-D2258 PolarHBondContact OG1-OD2 2.76Å; Y2242-D2258 WeakPolarHBondContact CA-OD1 3.34Å; H2243-D2258 PolarHBondContact N-OD1 3.43Å; H2243-D2258 PolarHBondContact O-N 3Å; D2258-Q2260 VanDerWaalsContact C-N 3.27Å; D2258-Q2260 PolarHBondContact O-N 2.81Å; D2258-W2356 HydrophobicContact CB-CH2 3.79Å; D2258-W2356 HydrophobicContact CB-CZ2 4.3Å; D2258-W2356 WeakPolarHBondContact OD1-CH2 3.4Å; D2258-K2357 WeakPolarHBondContact OD2-CE 3.41Å; D2258-K2357 IonicContact OD2-NZ 3.16Å; D2258-K2357 PolarHBondContact OD2-NZ 2.66Å |
| 2259 | R | 73.9 | Confident | 75 | Confident | 73 Ų | 73 | 28.4 Ų | 28.4 | 28% | 0.275 | 14% | 0.137 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 53.5 | 42.1 | -168.1 | -49.8 | -175.3 | -168.1 | 176 | 4.2 | 112.5 | E1898 C2141 H2243 L2257 | E1898-R2259 VanDerWaalsContact CG-O 3.27Å; E1898-R2259 WeakPolarHBondContact CG-O 3.26Å; C2141-R2259 VanDerWaalsContact O-CZ 3.26Å; C2141-R2259 PolarHBondContact O-NH1 2.86Å; C2141-R2259 PolarHBondContact O-NH2 2.86Å; H2243-R2259 PolarHBondContact CE1-NE 2.87Å; H2243-R2259 VanDerWaalsContact CE1-NE 3.32Å; H2243-R2259 PolarHBondContact NE2-NH2 2.77Å; L2257-R2259 PolarHBondContact O-N 3.4Å |
| 2260 | Q | 67 | Low | 73.7 | Confident | 20 Ų | 20 | 37.1 Ų | 37.1 | 9% | 0.093 | 17% | 0.169 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -141.5 | -38.2 | 176 | -66.4 | -152.8 | -26.7 | 0 | 0 | 113.5 | F1887 L2257 D2258 | F1887-Q2260 PolarHBondContact O-OE1 3Å; L2257-Q2260 PolarHBondContact O-N 2.86Å; D2258-Q2260 VanDerWaalsContact C-N 3.27Å; D2258-Q2260 PolarHBondContact O-N 2.81Å |
| 2261 | F | 71.6 | Confident | 72.8 | Confident | 11 Ų | 11 | 43.9 Ų | 43.9 | 5% | 0.048 | 20% | 0.199 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -99 | 130.7 | 173.8 | -53 | -92.4 | 0 | 0 | 0 | 107.4 | L1865 T1886 F1887 W2231 L2234 V2256 L2257 | L1865-F2261 HydrophobicContact CB-CD1 3.98Å; L1865-F2261 HydrophobicContact CB-CE1 3.88Å; L1865-F2261 HydrophobicContact CD1-CD1 4.03Å; L1865-F2261 HydrophobicContact CD1-CE1 4.48Å; T1886-F2261 HydrophobicContact CG2-CD2 4.48Å; T1886-F2261 HydrophobicContact CG2-CE2 3.85Å; T1886-F2261 HydrophobicContact CG2-CZ 4.33Å; F1887-F2261 AromaticContact CD1-CZ 3.97Å; F1887-F2261 HydrophobicContact CD1-CZ 3.97Å; F1887-F2261 HydrophobicContact CE1-CE1 4.27Å; F1887-F2261 AromaticContact CE1-CZ 3.79Å; F1887-F2261 HydrophobicContact CE1-CZ 3.79Å; W2231-F2261 HydrophobicContact CH2-CB 3.98Å; W2231-F2261 WeakPolarHBondContact CH2-O 3.49Å; W2231-F2261 HydrophobicContact CZ2-CB 3.67Å; L2234-F2261 HydrophobicContact CD2-CG 4.48Å; V2256-F2261 CarbonylContact C-O 3.53Å; V2256-F2261 WeakPolarHBondContact CA-O 3.01Å; V2256-F2261 WeakPolarHBondContact CG1-O 3.4Å; L2257-F2261 HydrophobicContact CB-CB 4.28Å; L2257-F2261 PolarHBondContact N-O 2.97Å; L2257-F2261 PolarHBondContact O-N 2.93Å |
| 2262 | R | 74.5 | Confident | 72.2 | Confident | 41 Ų | 41 | 46.7 Ų | 46.7 | 16% | 0.155 | 21% | 0.211 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -133.1 | 112.9 | 179.7 | 175.9 | 174.5 | 174.4 | -176.2 | -3.4 | 109.3 | S1927 E2001 F2085 V2256 V2264 | S1927-R2262 PolarHBondContact OG-NH2 2.77Å; S1927-R2262 VanDerWaalsContact OG-NH2 3.14Å; E2001-R2262 IonicContact OE1-NH2 2.7Å; F2085-R2262 VanDerWaalsContact CE2-NH1 3.25Å; V2256-R2262 HydrophobicContact CG2-CG 4.32Å; R2262-V2264 HydrophobicContact CG-CG2 4.04Å |
| 2263 | Y | 74.6 | Confident | 71.7 | Confident | 72 Ų | 72 | 49.1 Ų | 49.1 | 28% | 0.282 | 22% | 0.219 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.9 | 133 | 173 | 180 | -110.5 | 0 | 0 | 0 | 109.1 | P2232 R2254 L2255 T2265 | P2232-Y2263 HydrophobicContact CG-CE1 4.44Å; P2232-Y2263 HydrophobicContact CG-CE2 3.9Å; R2254-Y2263 CarbonylContact C-O 3.5Å; R2254-Y2263 WeakPolarHBondContact CA-O 3.17Å; L2255-Y2263 HydrophobicContact CD1-CD1 4.11Å; L2255-Y2263 HydrophobicContact CG-CD1 4.48Å; L2255-Y2263 PolarHBondContact N-O 2.83Å; L2255-Y2263 PolarHBondContact O-N 2.88Å; L2255-Y2263 VanDerWaalsContact O-O 3.12Å; Y2263-T2265 HydrophobicContact CD1-CG2 4.39Å; Y2263-T2265 HydrophobicContact CE1-CG2 3.73Å |
| 2264 | V | 73 | Confident | 71.2 | Confident | 22 Ų | 22 | 53.2 Ų | 53.2 | 13% | 0.133 | 24% | 0.237 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.7 | 124.4 | -179 | -176.1 | 0 | 0 | 0 | 0 | 108.3 | F2003 I2252 R2254 R2262 | F2003-V2264 HydrophobicContact CE1-CG1 3.71Å; F2003-V2264 HydrophobicContact CZ-CG1 4Å; I2252-V2264 HydrophobicContact CG2-CG1 3.9Å; R2254-V2264 HydrophobicContact CB-CG2 4.31Å; R2254-V2264 HydrophobicContact CG-CB 4.42Å; R2254-V2264 HydrophobicContact CG-CG1 3.9Å; R2254-V2264 HydrophobicContact CG-CG2 3.92Å; R2262-V2264 HydrophobicContact CG-CG2 4.04Å |
| 2265 | T | 70.2 | Confident | 71 | Confident | 34 Ų | 34 | 53.1 Ų | 53.1 | 21% | 0.209 | 24% | 0.237 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -139.8 | 162.7 | -177.2 | -170.6 | 0 | 0 | 0 | 0 | 111.3 | T2229 I2252 V2253 Y2263 | T2229-T2265 HydrophobicContact CG2-CG2 3.81Å; I2252-T2265 CarbonylContact C-O 3.59Å; I2252-T2265 WeakPolarHBondContact CA-O 3.07Å; V2253-T2265 HydrophobicContact CB-CG2 4.31Å; V2253-T2265 PolarHBondContact N-O 2.91Å; V2253-T2265 PolarHBondContact O-N 2.81Å; Y2263-T2265 HydrophobicContact CD1-CG2 4.39Å; Y2263-T2265 HydrophobicContact CE1-CG2 3.73Å |
| 2266 | T | 69.9 | Low | 70.9 | Confident | 55 Ų | 55 | 54.8 Ų | 54.8 | 34% | 0.337 | 25% | 0.245 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.8 | 123.8 | 176.4 | 39.4 | 0 | 0 | 0 | 0 | 109.7 | I2252 E2268 | I2252-T2266 HydrophobicContact CG1-CG2 4Å; T2266-E2268 PolarHBondContact O-N 3.36Å |
| 2267 | L | 70.9 | Confident | 70.9 | Confident | 8 Ų | 8 | 54.7 Ų | 54.7 | 4% | 0.042 | 24% | 0.242 | C | C | . | . | trans | -65 | 125.5 | 170.5 | -59 | 165.9 | 0 | 0 | 0 | 109 | L2219 F2221 V2227 T2229 N2251 V2253 I2269 | L2219-L2267 HydrophobicContact CD1-CD1 3.51Å; L2219-L2267 HydrophobicContact CD1-CD2 4.22Å; F2221-L2267 HydrophobicContact CZ-CD1 4.41Å; V2227-L2267 HydrophobicContact CB-CD2 4.07Å; V2227-L2267 HydrophobicContact CG1-CB 4.34Å; V2227-L2267 HydrophobicContact CG1-CD2 3.52Å; T2229-L2267 HydrophobicContact CG2-CD2 3.54Å; N2251-L2267 HydrophobicContact CB-CB 4.39Å; N2251-L2267 VanDerWaalsContact O-CB 3.3Å; N2251-L2267 WeakPolarHBondContact O-CB 3.33Å; N2251-L2267 WeakPolarHBondContact O-CG 3.27Å; N2251-L2267 PolarHBondContact O-N 3.2Å; V2253-L2267 HydrophobicContact CG2-CD1 3.74Å; V2253-L2267 HydrophobicContact CG2-CD2 3.99Å; V2253-L2267 HydrophobicContact CG2-CG 3.81Å; L2267-I2269 HydrophobicContact CB-CD1 4.14Å; L2267-I2269 HydrophobicContact CB-CG1 3.8Å; L2267-I2269 HydrophobicContact CD1-CD1 4.49Å; L2267-I2269 WeakPolarHBondContact O-CG1 3.49Å; L2267-I2269 PolarHBondContact O-N 2.92Å | ||
| 2268 | E | 64.9 | Low | 70.9 | Confident | 152 Ų | 152 | 58.7 Ų | 58.7 | 71% | 0.71 | 26% | 0.263 | S | S | * | . | trans | -81.4 | 68.4 | -174.5 | -63.6 | -177.4 | 150.7 | 0 | 0 | 110.7 | R1923 T2266 | R1923-E2268 IonicContact CZ-OE1 2.68Å; R1923-E2268 IonicContact NH1-OE1 3.86Å; R1923-E2268 PolarHBondContact NH1-OE1 2.85Å; R1923-E2268 IonicContact NH2-OE1 3.46Å; T2266-E2268 PolarHBondContact O-N 3.36Å | ||
| 2269 | I | 62 | Low | 71.1 | Confident | 21 Ų | 21 | 60.9 Ų | 60.9 | 11% | 0.108 | 28% | 0.275 | C | S | . | . | trans | -125.4 | 114 | -179.3 | 35.9 | 159.9 | 0 | 0 | 0 | 110.6 | F2221 V2225 V2227 N2251 L2267 K2271 Y2273 | F2221-I2269 HydrophobicContact CE2-CD1 3.97Å; F2221-I2269 HydrophobicContact CZ-CD1 4.36Å; V2225-I2269 HydrophobicContact CG1-CG2 3.94Å; V2227-I2269 HydrophobicContact CG2-CG2 3.75Å; N2251-I2269 HydrophobicContact CB-CD1 4.38Å; N2251-I2269 HydrophobicContact CB-CG1 4.36Å; N2251-I2269 PolarHBondContact ND2-O 3.06Å; L2267-I2269 HydrophobicContact CB-CD1 4.14Å; L2267-I2269 HydrophobicContact CB-CG1 3.8Å; L2267-I2269 HydrophobicContact CD1-CD1 4.49Å; L2267-I2269 WeakPolarHBondContact O-CG1 3.49Å; L2267-I2269 PolarHBondContact O-N 2.92Å; I2269-K2271 PolarHBondContact O-N 3.29Å; I2269-Y2273 HydrophobicContact CB-CE2 4.45Å; I2269-Y2273 HydrophobicContact CD1-CD2 4.1Å | ||
| 2270 | R | 52.2 | Low | 71.4 | Confident | 185 Ų | 185 | 57.7 Ų | 57.7 | 70% | 0.698 | 26% | 0.264 | S | S | * | . | S | Bend | trans | -56.2 | -19.2 | -176.8 | -65.1 | -177.1 | 179.8 | 162 | 0.7 | 114.7 | S1472 A1473 | S1472-R2270 PolarHBondContact O-NH1 2.78Å; A1473-R2270 PolarHBondContact O-NH2 2.79Å |
| 2271 | K | 58.9 | Low | 72.2 | Confident | 150 Ų | 150 | 57.3 Ų | 57.3 | 65% | 0.652 | 26% | 0.264 | S | S | * | . | S | Bend | trans | -122.8 | 143.3 | -179.1 | -68.5 | 171.5 | -177.5 | 165.6 | 0 | 110.8 | I2269 Y2273 | I2269-K2271 PolarHBondContact O-N 3.29Å; K2271-Y2273 HydrophobicContact CB-CD2 4.44Å; K2271-Y2273 HydrophobicContact CB-CE2 3.89Å; K2271-Y2273 WeakPolarHBondContact O-CD2 3.07Å; K2271-Y2273 WeakPolarHBondContact O-CE2 3.42Å; K2271-Y2273 PolarHBondContact O-N 2.65Å |
| 2272 | H | 61.6 | Low | 73.1 | Confident | 80 Ų | 80 | 56.8 Ų | 56.8 | 37% | 0.37 | 26% | 0.262 | S | S | . | . | trans | -77.6 | 101.4 | 173.3 | -67.1 | -37 | 0 | 0 | 0 | 111 | Y2177 N2251 | Y2177-H2272 HydrophobicContact CE1-CB 4.04Å; Y2177-H2272 WeakPolarHBondContact CE1-O 3.3Å; N2251-H2272 PolarHBondContact OD1-ND1 3.45Å | ||
| 2273 | Y | 68 | Low | 73.9 | Confident | 66 Ų | 66 | 57.6 Ų | 57.6 | 26% | 0.259 | 27% | 0.265 | S | S | . | . | trans | -79.5 | 127.3 | 178.7 | -70.4 | -92 | 0 | 0 | 0 | 112.7 | F2221 V2225 I2269 K2271 M2275 | F2221-Y2273 HydrophobicContact CB-CD1 3.69Å; F2221-Y2273 HydrophobicContact CB-CD2 4.35Å; F2221-Y2273 HydrophobicContact CB-CE1 4.38Å; F2221-Y2273 HydrophobicContact CB-CG 3.69Å; F2221-Y2273 HydrophobicContact CD1-CG 4.2Å; F2221-Y2273 HydrophobicContact CD2-CG 4.46Å; F2221-Y2273 HydrophobicContact CG-CD1 4.41Å; F2221-Y2273 HydrophobicContact CG-CD2 4.4Å; F2221-Y2273 AromaticContact CG-CG 3.9Å; F2221-Y2273 HydrophobicContact CG-CG 3.9Å; V2225-Y2273 HydrophobicContact CG1-CE2 4.02Å; I2269-Y2273 HydrophobicContact CB-CE2 4.45Å; I2269-Y2273 HydrophobicContact CD1-CD2 4.1Å; K2271-Y2273 HydrophobicContact CB-CD2 4.44Å; K2271-Y2273 HydrophobicContact CB-CE2 3.89Å; K2271-Y2273 WeakPolarHBondContact O-CD2 3.07Å; K2271-Y2273 WeakPolarHBondContact O-CE2 3.42Å; K2271-Y2273 PolarHBondContact O-N 2.65Å; Y2273-M2275 PolarHBondContact O-N 2.74Å | ||
| 2274 | K | 72.8 | Confident | 74.7 | Confident | 86 Ų | 86 | 54.2 Ų | 54.2 | 37% | 0.374 | 25% | 0.251 | S | S | . | . | trans | -82.8 | 103.4 | 170.8 | -178.9 | -158.4 | 179.6 | -163 | 0 | 108.7 | Y2177 H2204 E2276 | Y2177-K2274 HydrophobicContact CE1-CB 3.97Å; Y2177-K2274 HydrophobicContact CE2-CB 4.24Å; Y2177-K2274 HydrophobicContact CE2-CG 4.4Å; H2204-K2274 PolarHBondContact CE1-O 3.17Å; H2204-K2274 VanDerWaalsContact CE1-O 3.25Å; K2274-E2276 HydrophobicContact CD-CG 4.47Å; K2274-E2276 VanDerWaalsContact CE-OE1 3.29Å; K2274-E2276 WeakPolarHBondContact CE-OE1 3.17Å; K2274-E2276 IonicContact NZ-OE1 3.25Å; K2274-E2276 PolarHBondContact NZ-OE1 3.23Å | ||
| 2275 | M | 79.5 | Confident | 75.3 | Confident | 2 Ų | 2 | 53.1 Ų | 53.1 | 1% | 0.01 | 25% | 0.245 | C | C | . | . | trans | -74 | 143.7 | 176.4 | -147 | 169.4 | -157.1 | 0 | 0 | 110.5 | G2176 S2205 M2206 L2219 S2220 F2221 Y2273 Y2277 | G2176-M2275 WeakPolarHBondContact CA-O 3.3Å; G2176-M2275 PolarHBondContact O-N 2.84Å; S2205-M2275 VanDerWaalsContact C-CE 3.45Å; S2205-M2275 WeakPolarHBondContact O-CE 3.38Å; M2206-M2275 HydrophobicContact CB-CE 3.94Å; M2206-M2275 HydrophobicContact CB-SD 4.37Å; L2219-M2275 HydrophobicContact CB-CE 4.43Å; L2219-M2275 HydrophobicContact CD2-CE 3.66Å; L2219-M2275 HydrophobicContact CD2-SD 3.77Å; S2220-M2275 VanDerWaalsContact O-CE 3.3Å; S2220-M2275 WeakPolarHBondContact O-CE 3.45Å; F2221-M2275 HydrophobicContact CD1-CB 4.46Å; F2221-M2275 HydrophobicContact CD1-CE 4.42Å; F2221-M2275 HydrophobicContact CD1-CG 4.27Å; F2221-M2275 HydrophobicContact CD1-SD 4.49Å; F2221-M2275 HydrophobicContact CE1-CB 4.24Å; F2221-M2275 HydrophobicContact CE1-CE 4.32Å; F2221-M2275 HydrophobicContact CE1-CG 4.21Å; F2221-M2275 HydrophobicContact CE1-SD 4.03Å; Y2273-M2275 PolarHBondContact O-N 2.74Å; M2275-Y2277 HydrophobicContact CE-CE1 4.25Å; M2275-Y2277 HydrophobicContact CG-CE1 3.81Å; M2275-Y2277 HydrophobicContact SD-CE1 3.7Å; M2275-Y2277 PolarHBondContact SD-OH 3.02Å | ||
| 2276 | E | 80.4 | Confident | 75.9 | Confident | 36 Ų | 36 | 51.5 Ų | 51.5 | 17% | 0.168 | 24% | 0.235 | C | C | . | . | trans | -141.1 | 138 | 178.1 | -66 | -179.8 | -179.5 | 0 | 0 | 108.7 | R2199 K2202 H2204 K2274 | R2199-E2276 WeakPolarHBondContact CB-O 3.33Å; R2199-E2276 IonicContact CZ-OE2 3.54Å; R2199-E2276 IonicContact NH1-OE2 3.87Å; R2199-E2276 PolarHBondContact NH1-OE2 3.12Å; K2202-E2276 WeakPolarHBondContact CE-OE2 3.23Å; K2202-E2276 VanDerWaalsContact NZ-CD 3.28Å; K2202-E2276 IonicContact NZ-OE1 3.06Å; K2202-E2276 PolarHBondContact NZ-OE1 2.76Å; K2202-E2276 IonicContact NZ-OE2 2.77Å; K2202-E2276 PolarHBondContact NZ-OE2 3.17Å; H2204-E2276 VanDerWaalsContact CB-O 3.3Å; H2204-E2276 WeakPolarHBondContact CB-O 3.21Å; H2204-E2276 PolarHBondContact ND1-N 3Å; H2204-E2276 PolarHBondContact ND1-O 3.42Å; K2274-E2276 HydrophobicContact CD-CG 4.47Å; K2274-E2276 VanDerWaalsContact CE-OE1 3.29Å; K2274-E2276 WeakPolarHBondContact CE-OE1 3.17Å; K2274-E2276 IonicContact NZ-OE1 3.25Å; K2274-E2276 PolarHBondContact NZ-OE1 3.23Å | ||
| 2277 | Y | 84.6 | Confident | 75.8 | Confident | 24 Ų | 24 | 50.7 Ų | 50.7 | 9% | 0.094 | 23% | 0.231 | C | C | . | . | trans | -122.4 | 145.5 | -178.1 | -42.8 | -78.2 | 0 | 0 | 0 | 109.3 | L2174 A2197 M2206 M2275 F2282 F2305 | L2174-Y2277 HydrophobicContact CD1-CD2 4.31Å; A2197-Y2277 HydrophobicContact CB-CD1 3.81Å; A2197-Y2277 HydrophobicContact CB-CE1 4.36Å; A2197-Y2277 HydrophobicContact CB-CG 4.24Å; M2206-Y2277 HydrophobicContact CB-CE1 3.93Å; M2206-Y2277 HydrophobicContact CE-CE1 3.73Å; M2206-Y2277 HydrophobicContact SD-CE1 4.49Å; M2275-Y2277 HydrophobicContact CE-CE1 4.25Å; M2275-Y2277 HydrophobicContact CG-CE1 3.81Å; M2275-Y2277 HydrophobicContact SD-CE1 3.7Å; M2275-Y2277 PolarHBondContact SD-OH 3.02Å; Y2277-F2282 AromaticContact CD2-CZ 3.94Å; Y2277-F2282 HydrophobicContact CD2-CZ 3.94Å; Y2277-F2282 HydrophobicContact CG-CE2 4.32Å; Y2277-F2282 AromaticContact CG-CZ 3.96Å; Y2277-F2282 HydrophobicContact CG-CZ 3.96Å; Y2277-F2305 HydrophobicContact CD2-CZ 4.36Å; Y2277-F2305 AromaticContact CE2-CZ 3.83Å; Y2277-F2305 HydrophobicContact CE2-CZ 3.83Å | ||
| 2278 | D | 81.6 | Confident | 75.6 | Confident | 84 Ų | 84 | 52.5 Ų | 52.5 | 45% | 0.449 | 24% | 0.244 | S | C | . | . | trans | -69.3 | 132.8 | 161.8 | 167.6 | 27.1 | 0 | 0 | 0 | 108.9 | S2198 G2280 S2281 F2282 | S2198-D2278 PolarHBondContact O-N 2.93Å; D2278-G2280 PolarHBondContact O-N 2.96Å; D2278-G2280 VanDerWaalsContact O-N 3.16Å; D2278-G2280 PolarHBondContact OD1-N 2.82Å; D2278-S2281 WeakPolarHBondContact O-CB 3.28Å; D2278-S2281 PolarHBondContact O-N 3.32Å; D2278-S2281 PolarHBondContact O-OG 2.9Å; D2278-F2282 WeakPolarHBondContact O-CD2 3.3Å | ||
| 2279 | L | 80.6 | Confident | 75.1 | Confident | 57 Ų | 57 | 52.1 Ų | 52.1 | 30% | 0.298 | 24% | 0.236 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -63.1 | -16.8 | 176.9 | -63 | -179.8 | 0 | 0 | 0 | 112.8 | L2169 V2171 L2174 | L2169-L2279 HydrophobicContact CB-CB 4.19Å; L2169-L2279 HydrophobicContact CB-CD2 4.11Å; L2169-L2279 PolarHBondContact N-O 2.93Å; V2171-L2279 HydrophobicContact CG2-CD2 3.78Å; L2174-L2279 HydrophobicContact CD1-CD2 3.92Å; L2174-L2279 HydrophobicContact CG-CD2 4.44Å |
| 2280 | G | 80.3 | Confident | 74.8 | Confident | 5 Ų | 5 | 57 Ų | 57 | 5% | 0.052 | 27% | 0.267 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -97.3 | 6.8 | 170.2 | 0 | 0 | 0 | 0 | 0 | 115.6 | R2166 D2278 | R2166-G2280 VanDerWaalsContact CZ-O 3.22Å; R2166-G2280 PolarHBondContact NE-O 3.48Å; R2166-G2280 PolarHBondContact NH2-O 3.49Å; D2278-G2280 PolarHBondContact O-N 2.96Å; D2278-G2280 VanDerWaalsContact O-N 3.16Å; D2278-G2280 PolarHBondContact OD1-N 2.82Å |
| 2281 | S | 85 | Confident | 74.6 | Confident | 13 Ų | 13 | 57 Ų | 57 | 9% | 0.091 | 27% | 0.267 | C | S | . | . | trans | -94 | -18.2 | 179.9 | 70.7 | 0 | 0 | 0 | 0 | 114.6 | S2198 D2278 R2283 | S2198-S2281 PolarHBondContact N-OG 2.86Å; S2198-S2281 WeakPolarHBondContact O-CB 3.03Å; S2198-S2281 PolarHBondContact O-OG 3.01Å; D2278-S2281 WeakPolarHBondContact O-CB 3.28Å; D2278-S2281 PolarHBondContact O-N 3.32Å; D2278-S2281 PolarHBondContact O-OG 2.9Å; S2281-R2283 PolarHBondContact O-N 2.78Å | ||
| 2282 | F | 90.8 | Very high | 74 | Confident | 0 Ų | 0 | 55.8 Ų | 55.8 | 0% | 0 | 27% | 0.266 | C | S | . | . | trans | -62.6 | 125.1 | -173.5 | -75.4 | -98.5 | 0 | 0 | 0 | 111.5 | Y2167 L2169 L2174 F2195 A2197 Y2277 D2278 F2305 | Y2167-F2282 HydrophobicContact CD2-CB 4.4Å; Y2167-F2282 PolarHBondContact N-O 2.9Å; L2169-F2282 HydrophobicContact CD1-CB 4.44Å; L2169-F2282 HydrophobicContact CD1-CD1 3.97Å; L2169-F2282 HydrophobicContact CD1-CD2 3.53Å; L2169-F2282 HydrophobicContact CD1-CE1 4.1Å; L2169-F2282 HydrophobicContact CD1-CE2 3.67Å; L2169-F2282 HydrophobicContact CD1-CG 3.7Å; L2169-F2282 HydrophobicContact CD1-CZ 3.96Å; L2169-F2282 HydrophobicContact CG-CD2 4.16Å; L2169-F2282 HydrophobicContact CG-CG 4.32Å; L2174-F2282 HydrophobicContact CD1-CE2 4.02Å; L2174-F2282 HydrophobicContact CD1-CZ 3.69Å; F2195-F2282 HydrophobicContact CE2-CD1 4.13Å; F2195-F2282 AromaticContact CZ-CD1 3.81Å; F2195-F2282 HydrophobicContact CZ-CD1 3.81Å; F2195-F2282 HydrophobicContact CZ-CE1 4.12Å; A2197-F2282 HydrophobicContact CB-CD1 3.74Å; A2197-F2282 HydrophobicContact CB-CD2 4.32Å; A2197-F2282 HydrophobicContact CB-CE1 3.73Å; A2197-F2282 HydrophobicContact CB-CE2 4.3Å; A2197-F2282 HydrophobicContact CB-CG 4.04Å; A2197-F2282 HydrophobicContact CB-CZ 4.01Å; Y2277-F2282 AromaticContact CD2-CZ 3.94Å; Y2277-F2282 HydrophobicContact CD2-CZ 3.94Å; Y2277-F2282 HydrophobicContact CG-CE2 4.32Å; Y2277-F2282 AromaticContact CG-CZ 3.96Å; Y2277-F2282 HydrophobicContact CG-CZ 3.96Å; D2278-F2282 WeakPolarHBondContact O-CD2 3.3Å; F2282-F2305 AromaticContact CE1-CD1 3.61Å; F2282-F2305 HydrophobicContact CE1-CD1 3.61Å; F2282-F2305 HydrophobicContact CE1-CD2 4.24Å; F2282-F2305 AromaticContact CE1-CE1 3.75Å; F2282-F2305 HydrophobicContact CE1-CE1 3.75Å; F2282-F2305 HydrophobicContact CE1-CE2 4.37Å; F2282-F2305 AromaticContact CE1-CG 3.87Å; F2282-F2305 HydrophobicContact CE1-CG 3.87Å; F2282-F2305 HydrophobicContact CE1-CZ 4.14Å; F2282-F2305 HydrophobicContact CZ-CD1 4.08Å; F2282-F2305 AromaticContact CZ-CE1 3.85Å; F2282-F2305 HydrophobicContact CZ-CE1 3.85Å; F2282-F2305 HydrophobicContact CZ-CZ 4.32Å | ||
| 2283 | R | 89.8 | Confident | 73.5 | Confident | 58 Ų | 58 | 61 Ų | 61 | 22% | 0.219 | 29% | 0.291 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.2 | 148.4 | -177.7 | -69.4 | 171.1 | -169.9 | -112.8 | 3.5 | 112.4 | I2165 R2166 F2195 S2196 S2281 P2287 | I2165-R2283 CarbonylContact O-C 3.54Å; I2165-R2283 VanDerWaalsContact O-CA 3.22Å; I2165-R2283 WeakPolarHBondContact O-CA 3.44Å; R2166-R2283 HydrophobicContact CB-CG 4.4Å; R2166-R2283 HydrophobicContact CG-CG 4.43Å; F2195-R2283 WeakPolarHBondContact CA-O 3.06Å; F2195-R2283 VanDerWaalsContact CD2-O 3.24Å; F2195-R2283 WeakPolarHBondContact CD2-O 3.48Å; S2196-R2283 PolarHBondContact N-O 2.79Å; S2196-R2283 PolarHBondContact O-N 3.04Å; S2281-R2283 PolarHBondContact O-N 2.78Å; R2283-P2287 PolarHBondContact NE-O 2.84Å; R2283-P2287 PolarHBondContact NH1-O 2.87Å; R2283-P2287 VanDerWaalsContact NH1-O 3.12Å |
| 2284 | V | 91.1 | Very high | 73.3 | Confident | 0 Ų | 0 | 59.3 Ų | 59.3 | 0% | 0 | 29% | 0.289 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.2 | 136.8 | 165.7 | 172.9 | 0 | 0 | 0 | 0 | 107.3 | F2159 F2164 I2165 Y2167 L2194 F2195 I2300 V2303 L2312 | F2159-V2284 HydrophobicContact CE1-CG1 3.9Å; F2159-V2284 HydrophobicContact CE2-CG1 4.47Å; F2159-V2284 HydrophobicContact CZ-CB 4.47Å; F2159-V2284 HydrophobicContact CZ-CG1 3.62Å; F2164-V2284 CarbonylContact C-O 3.51Å; F2164-V2284 WeakPolarHBondContact CA-O 3.23Å; I2165-V2284 PolarHBondContact N-O 3.38Å; I2165-V2284 PolarHBondContact O-N 2.77Å; Y2167-V2284 HydrophobicContact CE2-CB 4.43Å; Y2167-V2284 HydrophobicContact CE2-CG2 3.87Å; L2194-V2284 WeakPolarHBondContact O-CA 3.43Å; F2195-V2284 HydrophobicContact CD2-CG2 4.01Å; V2284-I2300 HydrophobicContact CG1-CD1 3.52Å; V2284-V2303 HydrophobicContact CG1-CG2 4.19Å; V2284-V2303 HydrophobicContact CG2-CB 4.22Å; V2284-V2303 HydrophobicContact CG2-CG1 3.91Å; V2284-V2303 HydrophobicContact CG2-CG2 3.88Å; V2284-L2312 HydrophobicContact CG1-CD2 4.31Å |
| 2285 | G | 87 | Confident | 73.1 | Confident | 0 Ų | 0 | 55.5 Ų | 55.5 | 0% | 0 | 27% | 0.273 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 79.1 | -149.2 | -168.4 | 0 | 0 | 0 | 0 | 0 | 113.1 | T2193 L2194 | T2193-G2285 CarbonylContact O-C 3.38Å; T2193-G2285 WeakPolarHBondContact O-CA 3.27Å; L2194-G2285 PolarHBondContact O-N 3.38Å |
| 2286 | S | 81.8 | Confident | 73.4 | Confident | 0 Ų | 0 | 55.4 Ų | 55.4 | 0% | 0 | 27% | 0.273 | C | S | . | . | trans | -62.1 | 133.7 | -169.8 | -173.2 | 0 | 0 | 0 | 0 | 114.2 | S2163 F2164 S2288 | S2163-S2286 PolarHBondContact O-N 2.85Å; F2164-S2286 WeakPolarHBondContact CB-O 3.28Å; S2286-S2288 VanDerWaalsContact C-N 3.29Å; S2286-S2288 PolarHBondContact O-N 2.92Å; S2286-S2288 PolarHBondContact OG-N 2.84Å; S2286-S2288 PolarHBondContact OG-O 3.5Å | ||
| 2287 | P | 69.3 | Low | 73.6 | Confident | 38 Ų | 38 | 56.3 Ų | 56.3 | 25% | 0.247 | 28% | 0.278 | C | S | . | . | S | Bend | trans | -71.4 | -18.5 | 177.7 | 28.9 | -35.3 | 0 | 0 | 0 | 113.8 | R2283 | R2283-P2287 PolarHBondContact NE-O 2.84Å; R2283-P2287 PolarHBondContact NH1-O 2.87Å; R2283-P2287 VanDerWaalsContact NH1-O 3.12Å |
| 2288 | S | 65 | Low | 73.8 | Confident | 45 Ų | 45 | 55.2 Ų | 55.2 | 32% | 0.315 | 27% | 0.274 | S | S | . | . | trans | -145.4 | 148 | -176.4 | -178.7 | 0 | 0 | 0 | 0 | 112.8 | S2286 V2290 | S2286-S2288 VanDerWaalsContact C-N 3.29Å; S2286-S2288 PolarHBondContact O-N 2.92Å; S2286-S2288 PolarHBondContact OG-N 2.84Å; S2286-S2288 PolarHBondContact OG-O 3.5Å; S2288-V2290 PolarHBondContact O-N 3.18Å; S2288-V2290 PolarHBondContact OG-N 2.76Å | ||
| 2289 | R | 55.4 | Low | 74.2 | Confident | 144 Ų | 144 | 51.2 Ų | 51.2 | 54% | 0.543 | 25% | 0.252 | S | S | . | . | S | Bend | trans | -72.4 | -13.7 | 171.9 | -73.6 | -174.5 | 178 | -138.2 | 1.6 | 113.5 | F2164 D2325 | F2164-R2289 HydrophobicContact CE1-CG 3.72Å; F2164-R2289 HydrophobicContact CZ-CG 4.02Å; R2289-D2325 IonicContact CZ-OD2 2.75Å; R2289-D2325 IonicContact NE-OD2 3.2Å; R2289-D2325 IonicContact NH2-OD1 2.72Å; R2289-D2325 PolarHBondContact NH2-OD1 3.43Å; R2289-D2325 IonicContact NH2-OD2 2.74Å; R2289-D2325 PolarHBondContact NH2-OD2 2.92Å |
| 2290 | V | 55 | Low | 74.8 | Confident | 125 Ų | 125 | 48.5 Ų | 48.5 | 76% | 0.758 | 24% | 0.238 | S | C | * | . | S | Bend | trans | -96.4 | -34.2 | -171.5 | -176.3 | 0 | 0 | 0 | 0 | 112.6 | S2288 L2292 | S2288-V2290 PolarHBondContact O-N 3.18Å; S2288-V2290 PolarHBondContact OG-N 2.76Å; V2290-L2292 PolarHBondContact O-N 3.4Å |
| 2291 | R | 47.8 | Very low | 75.2 | Confident | 185 Ų | 185 | 48.7 Ų | 48.7 | 70% | 0.698 | 24% | 0.238 | S | C | * | . | trans | -84.4 | 95.9 | 175.5 | -72.1 | -173.8 | 176.6 | 178.4 | -2.5 | 109.5 | E2293 | R2291-E2293 PolarHBondContact O-N 2.84Š| ||
| 2292 | L | 46.2 | Very low | 75.4 | Confident | 123 Ų | 123 | 48.7 Ų | 48.7 | 64% | 0.644 | 24% | 0.236 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -65.5 | -20.6 | -178.5 | -80.2 | 163.3 | 0 | 0 | 0 | 114 | V2290 | V2290-L2292 PolarHBondContact O-N 3.4Š|
| 2293 | E | 52.6 | Low | 75.5 | Confident | 190 Ų | 190 | 48.7 Ų | 48.7 | 89% | 0.888 | 24% | 0.236 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -103.1 | -5.7 | -170.5 | -57.7 | -175.8 | 145.6 | 0 | 0 | 114.5 | R2291 | R2291-E2293 PolarHBondContact O-N 2.84Š|
| 2294 | S | 62.4 | Low | 75.4 | Confident | 31 Ų | 31 | 46.7 Ų | 46.7 | 22% | 0.217 | 23% | 0.232 | C | C | . | . | S | Bend | trans | -100.2 | 2.9 | -172.2 | 71.7 | 0 | 0 | 0 | 0 | 115.8 | T2193 | T2193-S2294 PolarHBondContact N-O 2.94Å; T2193-S2294 VanDerWaalsContact N-O 3.14Å; T2193-S2294 PolarHBondContact OG1-O 2.79Å |
| 2295 | G | 69.5 | Low | 75.4 | Confident | 5 Ų | 5 | 46.8 Ų | 46.8 | 5% | 0.052 | 23% | 0.233 | C | C | . | . | B | Isolated β-bridge | trans | -84 | 149 | 177.4 | 0 | 0 | 0 | 0 | 0 | 113.6 | P2161 | P2161-G2295 WeakPolarHBondContact O-CA 3.29Å; P2161-G2295 PolarHBondContact O-N 2.76Å |
| 2296 | F | 85.4 | Confident | 75.3 | Confident | 0 Ų | 0 | 47.7 Ų | 47.7 | 0% | 0 | 24% | 0.237 | C | C | . | . | trans | -71.6 | 131.7 | 171.7 | 169 | -98.4 | 0 | 0 | 0 | 111.5 | F2159 F2185 Y2186 P2187 T2193 L2194 L2210 I2300 | F2159-F2296 HydrophobicContact CB-CD1 4.25Å; F2185-F2296 HydrophobicContact CB-CZ 4.11Å; F2185-F2296 AromaticContact CD2-CE2 3.87Å; F2185-F2296 HydrophobicContact CD2-CE2 3.87Å; F2185-F2296 AromaticContact CD2-CZ 3.88Å; F2185-F2296 HydrophobicContact CD2-CZ 3.88Å; F2185-F2296 HydrophobicContact CE2-CE2 4.47Å; F2185-F2296 HydrophobicContact CG-CZ 4.39Å; Y2186-F2296 WeakPolarHBondContact O-CZ 3.23Å; P2187-F2296 HydrophobicContact CB-CE2 3.93Å; P2187-F2296 HydrophobicContact CB-CZ 4.43Å; T2193-F2296 WeakPolarHBondContact O-CB 3.36Å; L2194-F2296 HydrophobicContact CD2-CB 4.47Å; L2194-F2296 HydrophobicContact CD2-CD1 4.12Å; L2194-F2296 HydrophobicContact CD2-CD2 3.47Å; L2194-F2296 VanDerWaalsContact CD2-CD2 3.47Å; L2194-F2296 HydrophobicContact CD2-CE1 4.19Å; L2194-F2296 HydrophobicContact CD2-CE2 3.54Å; L2194-F2296 HydrophobicContact CD2-CG 3.76Å; L2194-F2296 HydrophobicContact CD2-CZ 3.91Å; L2194-F2296 HydrophobicContact CG-CD2 4.23Å; L2210-F2296 HydrophobicContact CD1-CD2 4Å; L2210-F2296 HydrophobicContact CD1-CE2 3.83Å; F2296-I2300 HydrophobicContact CD1-CD1 3.97Å; F2296-I2300 HydrophobicContact CD1-CG1 4.13Å; F2296-I2300 HydrophobicContact CE1-CD1 4.04Å; F2296-I2300 HydrophobicContact CE1-CG1 3.68Å | ||
| 2297 | M | 85.2 | Confident | 75 | Confident | 56 Ų | 56 | 53.5 Ų | 53.5 | 28% | 0.276 | 27% | 0.265 | S | S | . | . | trans | -111.4 | 124.6 | 174.3 | -160.9 | 179 | 96.7 | 0 | 0 | 110.4 | F2159 P2161 E2188 T2189 | F2159-M2297 WeakPolarHBondContact O-CA 3.22Å; P2161-M2297 HydrophobicContact CG-SD 4.48Å; E2188-M2297 HydrophobicContact CB-CE 3.91Å; E2188-M2297 PolarHBondContact N-O 3.44Å; T2189-M2297 HydrophobicContact CG2-CB 3.82Å; T2189-M2297 HydrophobicContact CG2-CE 4.03Å; T2189-M2297 HydrophobicContact CG2-SD 4.25Å; T2189-M2297 PolarHBondContact N-O 3.15Å | ||
| 2298 | G | 88.4 | Confident | 75.7 | Confident | 0 Ų | 0 | 56.2 Ų | 56.2 | 0% | 0 | 27% | 0.271 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 142.6 | -155.6 | -172.8 | 0 | 0 | 0 | 0 | 0 | 111.8 | T2158 F2159 Y2186 | T2158-G2298 WeakPolarHBondContact CA-O 3.49Å; F2159-G2298 PolarHBondContact N-O 2.74Å; F2159-G2298 PolarHBondContact O-N 3.18Å; Y2186-G2298 CarbonylContact O-C 3.59Å; Y2186-G2298 WeakPolarHBondContact O-CA 3.48Å |
| 2299 | C | 90.3 | Very high | 76.6 | Confident | 0 Ų | 0 | 54.8 Ų | 54.8 | 0% | 0 | 26% | 0.258 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.8 | 151.6 | -177.9 | -50 | 0 | 0 | 0 | 0 | 112.7 | W2156 V2157 T2158 F2185 Y2186 C2333 | W2156-C2299 HydrophobicContact CE3-CB 3.67Å; W2156-C2299 HydrophobicContact CZ3-CB 3.98Å; V2157-C2299 CarbonylContact O-C 3.26Å; V2157-C2299 WeakPolarHBondContact O-CA 3.43Å; T2158-C2299 PolarHBondContact OG1-SG 2.8Å; T2158-C2299 VanDerWaalsContact OG1-SG 3.4Å; F2185-C2299 CarbonylContact C-O 3.47Å; F2185-C2299 VanDerWaalsContact CA-O 3.24Å; F2185-C2299 WeakPolarHBondContact CA-O 3.45Å; F2185-C2299 WeakPolarHBondContact CB-O 3.02Å; Y2186-C2299 PolarHBondContact N-O 3.03Å; Y2186-C2299 PolarHBondContact O-N 2.88Å; C2299-C2333 HydrophobicContact CB-CB 3.65Å; C2299-C2333 WeakPolarHBondContact CB-SG 3.45Å; C2299-C2333 WeakPolarHBondContact SG-CB 3.29Å; C2299-C2333 CovalentContact SG-SG 2.03Å; C2299-C2333 PolarHBondContact SG-SG 2.85Å |
| 2300 | I | 92.5 | Very high | 78.2 | Confident | 0 Ų | 0 | 48 Ų | 48 | 0% | 0 | 23% | 0.232 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.3 | 135.7 | 174.1 | -51.1 | -177.3 | 0 | 0 | 0 | 108.3 | V2157 F2159 V2183 L2184 F2185 V2284 F2296 V2303 L2312 | V2157-I2300 PolarHBondContact N-O 2.88Å; V2157-I2300 PolarHBondContact O-N 2.89Å; F2159-I2300 HydrophobicContact CD2-CB 4.36Å; F2159-I2300 HydrophobicContact CD2-CD1 4Å; F2159-I2300 HydrophobicContact CD2-CG1 3.96Å; F2159-I2300 HydrophobicContact CE2-CB 3.98Å; F2159-I2300 HydrophobicContact CE2-CD1 3.81Å; F2159-I2300 HydrophobicContact CE2-CG1 3.94Å; F2159-I2300 HydrophobicContact CG-CD1 4.47Å; F2159-I2300 HydrophobicContact CZ-CD1 4.08Å; V2183-I2300 HydrophobicContact CG1-CG2 4.2Å; L2184-I2300 WeakPolarHBondContact O-CA 3.41Å; L2184-I2300 WeakPolarHBondContact O-CG2 3.39Å; F2185-I2300 HydrophobicContact CB-CG1 4.13Å; V2284-I2300 HydrophobicContact CG1-CD1 3.52Å; F2296-I2300 HydrophobicContact CD1-CD1 3.97Å; F2296-I2300 HydrophobicContact CD1-CG1 4.13Å; F2296-I2300 HydrophobicContact CE1-CD1 4.04Å; F2296-I2300 HydrophobicContact CE1-CG1 3.68Å; I2300-V2303 HydrophobicContact CG2-CG2 3.74Å; I2300-L2312 HydrophobicContact CB-CD1 4.18Å; I2300-L2312 HydrophobicContact CG2-CD1 3.89Å; I2300-L2312 HydrophobicContact CG2-CD2 4.48Å; I2300-L2312 WeakPolarHBondContact O-CD1 3.2Å |
| 2301 | Q | 88.7 | Confident | 79.7 | Confident | 10 Ų | 10 | 42 Ų | 42 | 5% | 0.047 | 20% | 0.196 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.8 | -34.1 | 178.3 | -161.8 | -175.6 | -8.8 | 0 | 0 | 112.7 | S2154 W2156 L2184 L2312 | S2154-Q2301 WeakPolarHBondContact CB-O 3.44Å; S2154-Q2301 PolarHBondContact O-NE2 3.29Å; W2156-Q2301 HydrophobicContact CD2-CB 3.62Å; W2156-Q2301 HydrophobicContact CD2-CG 3.88Å; W2156-Q2301 HydrophobicContact CE3-CB 3.74Å; W2156-Q2301 HydrophobicContact CE3-CG 4.49Å; W2156-Q2301 HydrophobicContact CG-CB 4.16Å; W2156-Q2301 HydrophobicContact CG-CG 3.93Å; W2156-Q2301 HydrophobicContact CH2-CB 4.07Å; W2156-Q2301 HydrophobicContact CZ2-CB 3.97Å; W2156-Q2301 HydrophobicContact CZ2-CG 4.39Å; W2156-Q2301 VanDerWaalsContact CZ2-OE1 3.25Å; W2156-Q2301 HydrophobicContact CZ3-CB 3.97Å; W2156-Q2301 VanDerWaalsContact NE1-CD 3.32Å; L2184-Q2301 HydrophobicContact CB-CB 4.44Å; L2184-Q2301 HydrophobicContact CD2-CB 4.01Å; L2184-Q2301 HydrophobicContact CD2-CG 4.46Å; L2184-Q2301 VanDerWaalsContact CD2-OE1 3.24Å; L2184-Q2301 HydrophobicContact CG-CB 3.94Å; L2184-Q2301 PolarHBondContact O-N 3.42Å; Q2301-L2312 VanDerWaalsContact C-CD1 3.49Å |
| 2302 | E | 89 | Confident | 81.7 | Confident | 13 Ų | 13 | 33.4 Ų | 33.4 | 6% | 0.061 | 16% | 0.164 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -151.9 | 139.8 | -171.9 | -175.2 | 145.2 | -114.9 | 0 | 0 | 110.8 | G2144 S2154 V2183 L2184 W2309 | G2144-E2302 VanDerWaalsContact CA-OE2 3.23Å; G2144-E2302 WeakPolarHBondContact CA-OE2 3.17Å; G2144-E2302 PolarHBondContact N-OE2 3.25Å; S2154-E2302 PolarHBondContact OG-OE1 2.95Å; V2183-E2302 WeakPolarHBondContact CA-O 3.45Å; L2184-E2302 HydrophobicContact CB-CB 4.04Å; L2184-E2302 PolarHBondContact N-O 2.68Å; E2302-W2309 VanDerWaalsContact OE1-CD1 3.26Å; E2302-W2309 PolarHBondContact OE1-NE1 2.96Å |
| 2303 | V | 92.4 | Very high | 83.5 | Confident | 0 Ų | 0 | 28.6 Ų | 28.6 | 0% | 0 | 14% | 0.139 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -139.1 | 136.5 | 168.9 | -178.9 | 0 | 0 | 0 | 0 | 108.3 | N2182 V2183 F2195 V2284 I2300 L2310 L2312 | N2182-V2303 CarbonylContact O-C 3.57Å; N2182-V2303 VanDerWaalsContact O-CA 3.27Å; N2182-V2303 WeakPolarHBondContact O-CA 3.45Å; V2183-V2303 HydrophobicContact CG1-CG2 4.26Å; V2183-V2303 HydrophobicContact CG2-CG1 4.48Å; V2183-V2303 HydrophobicContact CG2-CG2 4.48Å; F2195-V2303 HydrophobicContact CD2-CG1 4.14Å; F2195-V2303 HydrophobicContact CE2-CG1 4.44Å; V2284-V2303 HydrophobicContact CG1-CG2 4.19Å; V2284-V2303 HydrophobicContact CG2-CB 4.22Å; V2284-V2303 HydrophobicContact CG2-CG1 3.91Å; V2284-V2303 HydrophobicContact CG2-CG2 3.88Å; I2300-V2303 HydrophobicContact CG2-CG2 3.74Å; V2303-L2310 HydrophobicContact CB-CB 4.36Å; V2303-L2310 HydrophobicContact CG1-CB 4.39Å; V2303-L2310 HydrophobicContact CG1-CD1 3.99Å; V2303-L2310 HydrophobicContact CG1-CG 4.46Å; V2303-L2310 PolarHBondContact O-N 2.69Å; V2303-L2312 HydrophobicContact CG2-CD2 4.11Å |
| 2304 | A | 88.9 | Confident | 84.6 | Confident | 16 Ų | 16 | 24.4 Ų | 24.4 | 13% | 0.132 | 12% | 0.118 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -140.4 | 151.1 | 170.4 | 0 | 0 | 0 | 0 | 0 | 111.7 | N2182 Y2308 | N2182-A2304 HydrophobicContact CB-CB 4.25Å; N2182-A2304 PolarHBondContact N-O 2.93Å; N2182-A2304 PolarHBondContact O-N 2.9Å; A2304-Y2308 CarbonylContact C-O 3.46Å; A2304-Y2308 WeakPolarHBondContact CA-O 3.22Å |
| 2305 | F | 90.2 | Very high | 85.2 | Confident | 2 Ų | 2 | 30.3 Ų | 30.3 | 1% | 0.009 | 14% | 0.142 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.1 | 121.2 | 177.4 | 179.9 | -103.1 | 0 | 0 | 0 | 110.7 | L2174 K2180 V2181 F2195 M2206 Y2277 F2282 E2307 Y2308 L2310 | L2174-F2305 HydrophobicContact CD1-CE1 3.91Å; L2174-F2305 HydrophobicContact CD2-CD1 4.37Å; L2174-F2305 HydrophobicContact CD2-CE1 3.9Å; L2174-F2305 HydrophobicContact CG-CE1 4.43Å; K2180-F2305 CarbonylContact O-C 3.57Å; K2180-F2305 WeakPolarHBondContact O-CA 3.42Å; K2180-F2305 WeakPolarHBondContact O-CD2 3.42Å; V2181-F2305 HydrophobicContact CG2-CD2 4.12Å; V2181-F2305 HydrophobicContact CG2-CE2 4.4Å; F2195-F2305 HydrophobicContact CE1-CD2 4.26Å; F2195-F2305 HydrophobicContact CZ-CB 4.35Å; F2195-F2305 HydrophobicContact CZ-CD2 4.03Å; F2195-F2305 HydrophobicContact CZ-CG 4.37Å; M2206-F2305 HydrophobicContact CE-CD2 4.41Å; M2206-F2305 HydrophobicContact CE-CE2 3.78Å; M2206-F2305 HydrophobicContact CE-CZ 4.47Å; Y2277-F2305 HydrophobicContact CD2-CZ 4.36Å; Y2277-F2305 AromaticContact CE2-CZ 3.83Å; Y2277-F2305 HydrophobicContact CE2-CZ 3.83Å; F2282-F2305 AromaticContact CE1-CD1 3.61Å; F2282-F2305 HydrophobicContact CE1-CD1 3.61Å; F2282-F2305 HydrophobicContact CE1-CD2 4.24Å; F2282-F2305 AromaticContact CE1-CE1 3.75Å; F2282-F2305 HydrophobicContact CE1-CE1 3.75Å; F2282-F2305 HydrophobicContact CE1-CE2 4.37Å; F2282-F2305 AromaticContact CE1-CG 3.87Å; F2282-F2305 HydrophobicContact CE1-CG 3.87Å; F2282-F2305 HydrophobicContact CE1-CZ 4.14Å; F2282-F2305 HydrophobicContact CZ-CD1 4.08Å; F2282-F2305 AromaticContact CZ-CE1 3.85Å; F2282-F2305 HydrophobicContact CZ-CE1 3.85Å; F2282-F2305 HydrophobicContact CZ-CZ 4.32Å; F2305-E2307 VanDerWaalsContact C-N 3.27Å; F2305-E2307 PolarHBondContact O-N 3.13Å; F2305-Y2308 PolarHBondContact N-O 2.83Å; F2305-Y2308 WeakPolarHBondContact O-CA 3.48Å; F2305-Y2308 VanDerWaalsContact O-CB 3.3Å; F2305-Y2308 WeakPolarHBondContact O-CB 3.49Å; F2305-Y2308 WeakPolarHBondContact O-CD2 3.43Å; F2305-Y2308 PolarHBondContact O-N 3.3Å; F2305-L2310 HydrophobicContact CB-CD1 4.49Å |
| 2306 | N | 84.4 | Confident | 85.7 | Confident | 18 Ų | 18 | 31.9 Ų | 31.9 | 10% | 0.096 | 15% | 0.148 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 48 | 48.4 | -174.8 | -75.9 | -10.9 | 0 | 0 | 0 | 112.5 | Y2178 S2179 K2180 Y2308 | Y2178-N2306 WeakPolarHBondContact CD1-OD1 3.37Å; Y2178-N2306 WeakPolarHBondContact CE1-OD1 3.38Å; Y2178-N2306 PolarHBondContact O-ND2 3.3Å; S2179-N2306 WeakPolarHBondContact CA-OD1 3.3Å; K2180-N2306 PolarHBondContact N-OD1 2.9Å; K2180-N2306 PolarHBondContact O-N 2.96Å; N2306-Y2308 HydrophobicContact CB-CD2 4.3Å; N2306-Y2308 VanDerWaalsContact O-CD2 3.29Å; N2306-Y2308 WeakPolarHBondContact O-CD2 3.28Å; N2306-Y2308 PolarHBondContact O-N 3.02Å |
| 2307 | E | 76.7 | Confident | 85.4 | Confident | 123 Ų | 123 | 35.4 Ų | 35.4 | 58% | 0.575 | 17% | 0.165 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 63.1 | -4.9 | -173.4 | -47.2 | -70.1 | 106.7 | 0 | 0 | 115.7 | K2180 F2305 W2309 | K2180-E2307 WeakPolarHBondContact CD-OE1 3.34Å; K2180-E2307 IonicContact NZ-OE1 2.86Å; K2180-E2307 PolarHBondContact NZ-OE1 3.32Å; F2305-E2307 VanDerWaalsContact C-N 3.27Å; F2305-E2307 PolarHBondContact O-N 3.13Å; E2307-W2309 PolarHBondContact O-N 3.43Å |
| 2308 | Y | 83.9 | Confident | 85.2 | Confident | 95 Ų | 95 | 33.9 Ų | 33.9 | 37% | 0.373 | 16% | 0.158 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -77.1 | 111.7 | 169.6 | -60.8 | -83.9 | 0 | 0 | 0 | 110.2 | V2171 A2304 F2305 N2306 Y2320 | V2171-Y2308 HydrophobicContact CB-CE1 4.49Å; V2171-Y2308 HydrophobicContact CG1-CD1 3.7Å; V2171-Y2308 HydrophobicContact CG1-CD2 4.3Å; V2171-Y2308 HydrophobicContact CG1-CE1 3.57Å; V2171-Y2308 HydrophobicContact CG1-CE2 4.2Å; V2171-Y2308 HydrophobicContact CG1-CG 4.07Å; A2304-Y2308 CarbonylContact C-O 3.46Å; A2304-Y2308 WeakPolarHBondContact CA-O 3.22Å; F2305-Y2308 PolarHBondContact N-O 2.83Å; F2305-Y2308 WeakPolarHBondContact O-CA 3.48Å; F2305-Y2308 VanDerWaalsContact O-CB 3.3Å; F2305-Y2308 WeakPolarHBondContact O-CB 3.49Å; F2305-Y2308 WeakPolarHBondContact O-CD2 3.43Å; F2305-Y2308 PolarHBondContact O-N 3.3Å; N2306-Y2308 HydrophobicContact CB-CD2 4.3Å; N2306-Y2308 VanDerWaalsContact O-CD2 3.29Å; N2306-Y2308 WeakPolarHBondContact O-CD2 3.28Å; N2306-Y2308 PolarHBondContact O-N 3.02Å; Y2308-Y2320 AromaticContact CD1-CD2 3.68Å; Y2308-Y2320 HydrophobicContact CD1-CD2 3.68Å; Y2308-Y2320 AromaticContact CD1-CE2 3.94Å; Y2308-Y2320 HydrophobicContact CD1-CE2 3.94Å; Y2308-Y2320 AromaticContact CD1-CG 4Å; Y2308-Y2320 HydrophobicContact CD1-CG 4Å; Y2308-Y2320 HydrophobicContact CG-CD2 4.32Å; Y2308-Y2320 HydrophobicContact CG-CE2 4.4Å |
| 2309 | W | 83 | Confident | 84.5 | Confident | 15 Ų | 15 | 42.4 Ų | 42.4 | 6% | 0.057 | 20% | 0.198 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -73 | 132.1 | 179.5 | -179.9 | 89.3 | 0 | 0 | 0 | 111.7 | R2146 E2302 E2307 P2311 Q2316 T2318 Y2320 | R2146-W2309 VanDerWaalsContact NH2-CZ3 3.32Å; E2302-W2309 VanDerWaalsContact OE1-CD1 3.26Å; E2302-W2309 PolarHBondContact OE1-NE1 2.96Å; E2307-W2309 PolarHBondContact O-N 3.43Å; W2309-P2311 HydrophobicContact CE3-CB 4.5Å; W2309-P2311 HydrophobicContact CH2-CB 4.03Å; W2309-P2311 HydrophobicContact CZ3-CB 3.67Å; W2309-Q2316 HydrophobicContact CH2-CB 3.66Å; W2309-Q2316 HydrophobicContact CH2-CG 4.45Å; W2309-Q2316 HydrophobicContact CZ3-CB 4.02Å; W2309-Q2316 WeakPolarHBondContact CZ3-O 3.43Å; W2309-T2318 HydrophobicContact CE3-CG2 4.12Å; W2309-T2318 HydrophobicContact CZ3-CG2 4.35Å; W2309-Y2320 WeakPolarHBondContact O-CE2 3.19Å |
| 2310 | L | 90.5 | Very high | 84.2 | Confident | 0 Ų | 0 | 45.9 Ų | 45.9 | 0% | 0 | 21% | 0.212 | C | C | . | . | P | Polyproline II helix | trans | -102.2 | 120.1 | -175 | -58.9 | -171.5 | 0 | 0 | 0 | 111.1 | Y2167 L2169 F2195 V2303 F2305 L2312 A2321 | Y2167-L2310 HydrophobicContact CD2-CD1 4.23Å; Y2167-L2310 HydrophobicContact CE1-CB 3.98Å; Y2167-L2310 HydrophobicContact CE2-CB 4.21Å; Y2167-L2310 HydrophobicContact CE2-CD1 4.14Å; L2169-L2310 HydrophobicContact CD2-CD2 3.78Å; F2195-L2310 HydrophobicContact CE2-CD1 3.89Å; V2303-L2310 HydrophobicContact CB-CB 4.36Å; V2303-L2310 HydrophobicContact CG1-CB 4.39Å; V2303-L2310 HydrophobicContact CG1-CD1 3.99Å; V2303-L2310 HydrophobicContact CG1-CG 4.46Å; V2303-L2310 PolarHBondContact O-N 2.69Å; F2305-L2310 HydrophobicContact CB-CD1 4.49Å; L2310-L2312 PolarHBondContact O-N 2.85Å; L2310-A2321 HydrophobicContact CD2-CB 4Å |
| 2311 | P | 86.1 | Confident | 83.9 | Confident | 0 Ų | 0 | 45.9 Ų | 45.9 | 0% | 0 | 21% | 0.212 | C | C | . | . | P | Polyproline II helix | trans | -72 | 116.6 | -174 | 26.1 | -34 | 0 | 0 | 0 | 113.2 | Y2167 W2309 I2313 Q2316 E2317 A2321 I2323 | Y2167-P2311 HydrophobicContact CD1-CG 4.43Å; Y2167-P2311 HydrophobicContact CE1-CG 3.95Å; Y2167-P2311 VanDerWaalsContact CE1-O 3.31Å; Y2167-P2311 WeakPolarHBondContact CE1-O 3.39Å; Y2167-P2311 PolarHBondContact OH-O 2.8Å; Y2167-P2311 VanDerWaalsContact OH-O 3.13Å; W2309-P2311 HydrophobicContact CE3-CB 4.5Å; W2309-P2311 HydrophobicContact CH2-CB 4.03Å; W2309-P2311 HydrophobicContact CZ3-CB 3.67Å; P2311-I2313 VanDerWaalsContact C-N 3.27Å; P2311-I2313 PolarHBondContact O-N 3.04Å; P2311-Q2316 HydrophobicContact CB-CB 4.47Å; P2311-E2317 HydrophobicContact CG-CG 4.32Å; P2311-A2321 WeakPolarHBondContact CG-O 3.38Å; P2311-I2323 HydrophobicContact CB-CD1 4.49Å; P2311-I2323 HydrophobicContact CG-CG1 4.15Å; P2311-I2323 WeakPolarHBondContact O-CD1 3.38Å; P2311-I2323 WeakPolarHBondContact O-CG1 3.32Å |
| 2312 | L | 90 | Very high | 83.7 | Confident | 5 Ų | 5 | 49.8 Ų | 49.8 | 3% | 0.026 | 23% | 0.229 | C | C | . | . | S | Bend | trans | -75.8 | -12.5 | 174.7 | -57.8 | 178 | 0 | 0 | 0 | 113.9 | V2157 I2165 V2284 I2300 Q2301 V2303 L2310 | V2157-L2312 HydrophobicContact CB-CB 4.41Å; V2157-L2312 HydrophobicContact CG2-CB 3.69Å; V2157-L2312 HydrophobicContact CG2-CD1 4.25Å; I2165-L2312 HydrophobicContact CD1-CB 4.15Å; I2165-L2312 HydrophobicContact CD1-CD2 3.88Å; I2165-L2312 WeakPolarHBondContact CD1-O 3.35Å; V2284-L2312 HydrophobicContact CG1-CD2 4.31Å; I2300-L2312 HydrophobicContact CB-CD1 4.18Å; I2300-L2312 HydrophobicContact CG2-CD1 3.89Å; I2300-L2312 HydrophobicContact CG2-CD2 4.48Å; I2300-L2312 WeakPolarHBondContact O-CD1 3.2Å; Q2301-L2312 VanDerWaalsContact C-CD1 3.49Å; V2303-L2312 HydrophobicContact CG2-CD2 4.11Å; L2310-L2312 PolarHBondContact O-N 2.85Å |
| 2313 | I | 83.4 | Confident | 83.7 | Confident | 22 Ų | 22 | 49.7 Ų | 49.7 | 11% | 0.113 | 23% | 0.229 | C | C | . | . | S | Bend | trans | -138.3 | 145.8 | 175.7 | 59.9 | 168 | 0 | 0 | 0 | 112 | K2155 V2157 P2311 E2315 Q2316 I2323 | K2155-I2313 HydrophobicContact CD-CD1 3.56Å; V2157-I2313 HydrophobicContact CG2-CG2 3.9Å; P2311-I2313 VanDerWaalsContact C-N 3.27Å; P2311-I2313 PolarHBondContact O-N 3.04Å; I2313-E2315 HydrophobicContact CD1-CB 4Å; I2313-E2315 HydrophobicContact CD1-CG 4.31Å; I2313-E2315 HydrophobicContact CG1-CB 4.38Å; I2313-E2315 PolarHBondContact O-N 2.66Å; I2313-E2315 VanDerWaalsContact O-N 3.12Å; I2313-Q2316 HydrophobicContact CD1-CG 4.08Å; I2313-Q2316 HydrophobicContact CG1-CB 4.25Å; I2313-Q2316 HydrophobicContact CG1-CG 3.9Å; I2313-Q2316 PolarHBondContact O-N 2.93Å; I2313-I2323 VanDerWaalsContact C-CD1 3.46Å |
| 2314 | K | 76.5 | Confident | 83.2 | Confident | 101 Ų | 101 | 52.8 Ų | 52.8 | 44% | 0.439 | 25% | 0.245 | S | C | . | . | G | 310 helix | trans | -61.6 | -21.7 | -177.3 | -75.3 | -174 | 165 | 157 | 0 | 114.6 | Q2316 I2323 H2326 | K2314-Q2316 PolarHBondContact O-N 3.4Å; K2314-I2323 VanDerWaalsContact CE-O 3.27Å; K2314-I2323 WeakPolarHBondContact CE-O 3.42Å; K2314-I2323 HydrophobicContact CG-CB 4.05Å; K2314-I2323 HydrophobicContact CG-CD1 3.84Å; K2314-I2323 HydrophobicContact CG-CG1 4.42Å; K2314-I2323 HydrophobicContact CG-CG2 4.48Å; K2314-H2326 PolarHBondContact NZ-CD2 3.14Å; K2314-H2326 VanDerWaalsContact NZ-CD2 3.27Å; K2314-H2326 PolarHBondContact NZ-NE2 3.37Å; K2314-H2326 VanDerWaalsContact NZ-NE2 3.11Å |
| 2315 | E | 74 | Confident | 83 | Confident | 155 Ų | 155 | 54.2 Ų | 54.2 | 72% | 0.724 | 25% | 0.25 | S | S | * | . | G | 310 helix | trans | -65.5 | -18.5 | 174 | -58.6 | -174.3 | 149.9 | 0 | 0 | 113.9 | K2155 I2313 | K2155-E2315 IonicContact NZ-OE2 3.07Å; K2155-E2315 PolarHBondContact NZ-OE2 2.84Å; I2313-E2315 HydrophobicContact CD1-CB 4Å; I2313-E2315 HydrophobicContact CD1-CG 4.31Å; I2313-E2315 HydrophobicContact CG1-CB 4.38Å; I2313-E2315 PolarHBondContact O-N 2.66Å; I2313-E2315 VanDerWaalsContact O-N 3.12Å |
| 2316 | Q | 79.6 | Confident | 82.7 | Confident | 39 Ų | 39 | 57.9 Ų | 57.9 | 18% | 0.182 | 27% | 0.267 | C | S | . | . | G | 310 helix | trans | -115.5 | 12.4 | -172.3 | -64.1 | -177.7 | -38.6 | 0 | 0 | 113.2 | W2309 P2311 I2313 K2314 | W2309-Q2316 HydrophobicContact CH2-CB 3.66Å; W2309-Q2316 HydrophobicContact CH2-CG 4.45Å; W2309-Q2316 HydrophobicContact CZ3-CB 4.02Å; W2309-Q2316 WeakPolarHBondContact CZ3-O 3.43Å; P2311-Q2316 HydrophobicContact CB-CB 4.47Å; I2313-Q2316 HydrophobicContact CD1-CG 4.08Å; I2313-Q2316 HydrophobicContact CG1-CB 4.25Å; I2313-Q2316 HydrophobicContact CG1-CG 3.9Å; I2313-Q2316 PolarHBondContact O-N 2.93Å; K2314-Q2316 PolarHBondContact O-N 3.4Å |
| 2317 | E | 79.7 | Confident | 82.6 | Confident | 74 Ų | 74 | 63.3 Ų | 63.3 | 35% | 0.346 | 29% | 0.287 | S | S | . | . | trans | -53.1 | 141.6 | 179.6 | -74.4 | -172.5 | 175.9 | 0 | 0 | 113.3 | P2311 I2323 | P2311-E2317 HydrophobicContact CG-CG 4.32Å; E2317-I2323 HydrophobicContact CG-CG1 4.39Å; E2317-I2323 WeakPolarHBondContact OE1-CB 3.44Å; E2317-I2323 PolarHBondContact OE1-N 2.92Å | ||
| 2318 | T | 80.5 | Confident | 82.7 | Confident | 24 Ų | 24 | 61.3 Ų | 61.3 | 15% | 0.147 | 28% | 0.28 | C | S | . | . | trans | -106.6 | 166.1 | 178.5 | 71.7 | 0 | 0 | 0 | 0 | 110.1 | W2309 Y2320 A2321 | W2309-T2318 HydrophobicContact CE3-CG2 4.12Å; W2309-T2318 HydrophobicContact CZ3-CG2 4.35Å; T2318-Y2320 HydrophobicContact CG2-CE1 4.17Å; T2318-Y2320 HydrophobicContact CG2-CE2 4.28Å; T2318-Y2320 PolarHBondContact O-N 3.32Å; T2318-Y2320 VanDerWaalsContact OG1-CD2 3.25Å; T2318-Y2320 WeakPolarHBondContact OG1-CD2 3.43Å; T2318-Y2320 VanDerWaalsContact OG1-CE2 3.25Å; T2318-Y2320 WeakPolarHBondContact OG1-CE2 3.49Å; T2318-Y2320 PolarHBondContact OG1-N 3.3Å; T2318-A2321 PolarHBondContact N-O 2.81Å; T2318-A2321 VanDerWaalsContact N-O 3.09Å; T2318-A2321 PolarHBondContact OG1-N 2.65Å; T2318-A2321 PolarHBondContact OG1-O 2.88Å | ||
| 2319 | E | 74.2 | Confident | 82.6 | Confident | 179 Ų | 179 | 57.9 Ų | 57.9 | 84% | 0.836 | 27% | 0.269 | S | S | * | . | S | Bend | trans | -63.4 | -27.6 | 175.9 | -62.3 | -165.9 | 146.2 | 0 | 0 | 112.3 | ||
| 2320 | Y | 83.7 | Confident | 82.6 | Confident | 72 Ų | 72 | 61.8 Ų | 61.8 | 28% | 0.282 | 29% | 0.286 | S | S | . | . | S | Bend | trans | -97.8 | -15.8 | -176.6 | 59.9 | -103 | 0 | 0 | 0 | 114.9 | L2169 S2170 Y2308 W2309 T2318 | L2169-Y2320 CarbonylContact C-O 3.55Å; L2169-Y2320 WeakPolarHBondContact CA-O 3.16Å; S2170-Y2320 PolarHBondContact N-O 3.39Å; Y2308-Y2320 AromaticContact CD1-CD2 3.68Å; Y2308-Y2320 HydrophobicContact CD1-CD2 3.68Å; Y2308-Y2320 AromaticContact CD1-CE2 3.94Å; Y2308-Y2320 HydrophobicContact CD1-CE2 3.94Å; Y2308-Y2320 AromaticContact CD1-CG 4Å; Y2308-Y2320 HydrophobicContact CD1-CG 4Å; Y2308-Y2320 HydrophobicContact CG-CD2 4.32Å; Y2308-Y2320 HydrophobicContact CG-CE2 4.4Å; W2309-Y2320 WeakPolarHBondContact O-CE2 3.19Å; T2318-Y2320 HydrophobicContact CG2-CE1 4.17Å; T2318-Y2320 HydrophobicContact CG2-CE2 4.28Å; T2318-Y2320 PolarHBondContact O-N 3.32Å; T2318-Y2320 VanDerWaalsContact OG1-CD2 3.25Å; T2318-Y2320 WeakPolarHBondContact OG1-CD2 3.43Å; T2318-Y2320 VanDerWaalsContact OG1-CE2 3.25Å; T2318-Y2320 WeakPolarHBondContact OG1-CE2 3.49Å; T2318-Y2320 PolarHBondContact OG1-N 3.3Å |
| 2321 | A | 87.5 | Confident | 82.1 | Confident | 0 Ų | 0 | 67 Ų | 67 | 0% | 0 | 32% | 0.32 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -142.7 | 117.5 | 177.9 | 0 | 0 | 0 | 0 | 0 | 110.9 | L2169 L2310 P2311 T2318 | L2169-A2321 HydrophobicContact CD2-CB 3.65Å; L2310-A2321 HydrophobicContact CD2-CB 4Å; P2311-A2321 WeakPolarHBondContact CG-O 3.38Å; T2318-A2321 PolarHBondContact N-O 2.81Å; T2318-A2321 VanDerWaalsContact N-O 3.09Å; T2318-A2321 PolarHBondContact OG1-N 2.65Å; T2318-A2321 PolarHBondContact OG1-O 2.88Å |
| 2322 | K | 84.2 | Confident | 81.8 | Confident | 93 Ų | 93 | 68.5 Ų | 68.5 | 40% | 0.404 | 34% | 0.335 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.8 | 152.8 | 179.7 | -62.5 | 177 | -175 | 167.8 | 0 | 110.7 | Y2167 L2168 D2324 | Y2167-K2322 CarbonylContact C-O 3.54Å; Y2167-K2322 VanDerWaalsContact CA-O 3.32Å; Y2167-K2322 WeakPolarHBondContact CA-O 3.06Å; L2168-K2322 PolarHBondContact N-O 3.21Å; L2168-K2322 PolarHBondContact O-N 3.15Å; L2168-K2322 VanDerWaalsContact O-N 3.16Å; K2322-D2324 PolarHBondContact O-N 3.21Å |
| 2323 | I | 87.8 | Confident | 81.5 | Confident | 11 Ų | 11 | 69 Ų | 69 | 6% | 0.056 | 34% | 0.339 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.9 | 106.2 | -179.2 | -56.4 | 175.4 | 0 | 0 | 0 | 108.9 | I2165 Y2167 P2311 I2313 K2314 E2317 H2326 | I2165-I2323 HydrophobicContact CG2-CB 4.47Å; I2165-I2323 HydrophobicContact CG2-CD1 4.32Å; I2165-I2323 HydrophobicContact CG2-CG1 4.13Å; I2165-I2323 HydrophobicContact CG2-CG2 3.68Å; Y2167-I2323 HydrophobicContact CD1-CG1 4.46Å; Y2167-I2323 HydrophobicContact CE1-CG1 4.1Å; P2311-I2323 HydrophobicContact CB-CD1 4.49Å; P2311-I2323 HydrophobicContact CG-CG1 4.15Å; P2311-I2323 WeakPolarHBondContact O-CD1 3.38Å; P2311-I2323 WeakPolarHBondContact O-CG1 3.32Å; I2313-I2323 VanDerWaalsContact C-CD1 3.46Å; K2314-I2323 VanDerWaalsContact CE-O 3.27Å; K2314-I2323 WeakPolarHBondContact CE-O 3.42Å; K2314-I2323 HydrophobicContact CG-CB 4.05Å; K2314-I2323 HydrophobicContact CG-CD1 3.84Å; K2314-I2323 HydrophobicContact CG-CG1 4.42Å; K2314-I2323 HydrophobicContact CG-CG2 4.48Å; E2317-I2323 HydrophobicContact CG-CG1 4.39Å; E2317-I2323 WeakPolarHBondContact OE1-CB 3.44Å; E2317-I2323 PolarHBondContact OE1-N 2.92Å; I2323-H2326 HydrophobicContact CG2-CB 4.2Å |
| 2324 | D | 83.4 | Confident | 80.9 | Confident | 64 Ų | 64 | 76.1 Ų | 76.1 | 34% | 0.342 | 38% | 0.377 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -65.6 | -56.1 | 175.3 | -177.8 | 58.9 | 0 | 0 | 0 | 110.5 | R2166 L2168 K2322 | R2166-D2324 WeakPolarHBondContact CD-OD2 3.49Å; R2166-D2324 HydrophobicContact CG-CB 4.31Å; R2166-D2324 IonicContact CZ-OD2 3.85Å; R2166-D2324 IonicContact NE-OD2 2.67Å; R2166-D2324 IonicContact NH1-OD2 3.61Å; R2166-D2324 PolarHBondContact NH1-OD2 3.26Å; R2166-D2324 PolarHBondContact O-N 3.27Å; L2168-D2324 HydrophobicContact CD1-CB 3.97Å; L2168-D2324 WeakPolarHBondContact CD1-OD1 3.25Å; L2168-D2324 HydrophobicContact CG-CB 3.97Å; K2322-D2324 PolarHBondContact O-N 3.21Å |
| 2325 | D | 84 | Confident | 80.7 | Confident | 46 Ų | 46 | 72.9 Ų | 72.9 | 25% | 0.246 | 37% | 0.37 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -143.8 | 150.7 | -174.9 | -171.8 | 24.6 | 0 | 0 | 0 | 110.4 | F2164 R2166 R2289 | F2164-D2325 HydrophobicContact CE2-CB 4.27Å; F2164-D2325 WeakPolarHBondContact CE2-OD2 3.49Å; F2164-D2325 VanDerWaalsContact CZ-OD2 3.28Å; F2164-D2325 WeakPolarHBondContact CZ-OD2 3.39Å; R2166-D2325 HydrophobicContact CB-CB 4.3Å; R2166-D2325 PolarHBondContact N-O 2.96Å; R2289-D2325 IonicContact CZ-OD2 2.75Å; R2289-D2325 IonicContact NE-OD2 3.2Å; R2289-D2325 IonicContact NH2-OD1 2.72Å; R2289-D2325 PolarHBondContact NH2-OD1 3.43Å; R2289-D2325 IonicContact NH2-OD2 2.74Å; R2289-D2325 PolarHBondContact NH2-OD2 2.92Å |
| 2326 | H | 83.5 | Confident | 80.6 | Confident | 79 Ų | 79 | 67.4 Ų | 67.4 | 37% | 0.366 | 35% | 0.345 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -154.4 | 144 | 173.7 | 59.8 | 96 | 0 | 0 | 0 | 110.9 | F2164 I2165 K2314 I2323 | F2164-H2326 VanDerWaalsContact O-CA 3.27Å; F2164-H2326 WeakPolarHBondContact O-CA 3.25Å; I2165-H2326 HydrophobicContact CG1-CB 4.32Å; K2314-H2326 PolarHBondContact NZ-CD2 3.14Å; K2314-H2326 VanDerWaalsContact NZ-CD2 3.27Å; K2314-H2326 PolarHBondContact NZ-NE2 3.37Å; K2314-H2326 VanDerWaalsContact NZ-NE2 3.11Å; I2323-H2326 HydrophobicContact CG2-CB 4.2Å |
| 2327 | W | 81.9 | Confident | 80.3 | Confident | 133 Ų | 133 | 70 Ų | 70 | 50% | 0.504 | 36% | 0.359 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.8 | 127.2 | -172.4 | -171.7 | -101.6 | 0 | 0 | 0 | 112.3 | S2163 F2164 V2329 | S2163-W2327 WeakPolarHBondContact CA-O 3.47Å; S2163-W2327 VanDerWaalsContact CB-O 3.29Å; S2163-W2327 WeakPolarHBondContact CB-O 3.21Å; S2163-W2327 PolarHBondContact OG-O 2.92Å; F2164-W2327 HydrophobicContact CD1-CB 3.84Å; F2164-W2327 HydrophobicContact CE1-CB 3.38Å; F2164-W2327 HydrophobicContact CE1-CG 4.13Å; F2164-W2327 HydrophobicContact CZ-CB 3.92Å; F2164-W2327 PolarHBondContact N-O 2.03Å; F2164-W2327 PolarHBondContact O-N 3.11Å; W2327-V2329 WeakPolarHBondContact O-CG2 3.37Å; W2327-V2329 PolarHBondContact O-N 3.2Å |
| 2328 | D | 79.4 | Confident | 80.1 | Confident | 80 Ų | 80 | 68.5 Ų | 68.5 | 43% | 0.428 | 36% | 0.356 | S | S | . | . | S | Bend | trans | 48 | 16.7 | -177.5 | -158.9 | 42.3 | 0 | 0 | 0 | 117.9 | S2163 K2330 | S2163-D2328 PolarHBondContact OG-O 3.46Å; D2328-K2330 PolarHBondContact O-NZ 3.32Å; D2328-K2330 VanDerWaalsContact O-NZ 3.15Å; D2328-K2330 VanDerWaalsContact OD1-CE 3.29Å; D2328-K2330 WeakPolarHBondContact OD1-CE 3.36Å; D2328-K2330 IonicContact OD1-NZ 3.66Å; D2328-K2330 PolarHBondContact OD1-NZ 2.78Å; D2328-K2330 IonicContact OD2-NZ 3.67Å; D2328-K2330 PolarHBondContact OD2-NZ 2.9Å |
| 2329 | V | 82.7 | Confident | 79.7 | Confident | 24 Ų | 24 | 68.4 Ų | 68.4 | 15% | 0.145 | 36% | 0.355 | C | S | . | . | trans | -74.1 | 121.9 | 173.6 | 171.1 | 0 | 0 | 0 | 0 | 110.5 | V2157 T2158 F2159 F2164 I2165 W2327 | V2157-V2329 HydrophobicContact CG1-CG1 3.25Å; T2158-V2329 WeakPolarHBondContact O-CA 3.03Å; F2159-V2329 HydrophobicContact CD1-CG2 4.02Å; F2159-V2329 HydrophobicContact CE1-CG2 3.82Å; F2159-V2329 HydrophobicContact CZ-CG2 4.13Å; F2164-V2329 WeakPolarHBondContact O-CG2 3.45Å; I2165-V2329 HydrophobicContact CD1-CG1 4.02Å; I2165-V2329 HydrophobicContact CD1-CG2 4.46Å; I2165-V2329 HydrophobicContact CG1-CG1 4.21Å; I2165-V2329 HydrophobicContact CG1-CG2 3.82Å; W2327-V2329 WeakPolarHBondContact O-CG2 3.37Å; W2327-V2329 PolarHBondContact O-N 3.2Å | ||
| 2330 | K | 81.7 | Confident | 79.5 | Confident | 97 Ų | 97 | 66.7 Ų | 66.7 | 42% | 0.422 | 35% | 0.352 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.4 | 131.2 | -172.6 | -60 | 177.3 | -169.2 | 75.3 | 0 | 111.9 | V2157 T2158 D2328 | V2157-K2330 CarbonylContact C-O 3.57Å; V2157-K2330 WeakPolarHBondContact CA-O 3.39Å; V2157-K2330 WeakPolarHBondContact CG1-O 3.35Å; T2158-K2330 PolarHBondContact N-O 2.93Å; T2158-K2330 PolarHBondContact O-N 3.4Å; D2328-K2330 PolarHBondContact O-NZ 3.32Å; D2328-K2330 VanDerWaalsContact O-NZ 3.15Å; D2328-K2330 VanDerWaalsContact OD1-CE 3.29Å; D2328-K2330 WeakPolarHBondContact OD1-CE 3.36Å; D2328-K2330 IonicContact OD1-NZ 3.66Å; D2328-K2330 PolarHBondContact OD1-NZ 2.78Å; D2328-K2330 IonicContact OD2-NZ 3.67Å; D2328-K2330 PolarHBondContact OD2-NZ 2.9Å |
| 2331 | P | 80.3 | Confident | 78.9 | Confident | 110 Ų | 110 | 66.2 Ų | 66.2 | 71% | 0.714 | 36% | 0.359 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -72.3 | 132.9 | 179.1 | 30 | -34.2 | 0 | 0 | 0 | 111.6 | ||
| 2332 | G | 79.5 | Confident | 78.3 | Confident | 31 Ų | 31 | 68.5 Ų | 68.5 | 32% | 0.32 | 37% | 0.371 | S | S | . | . | S | Bend | trans | 115.2 | -174.4 | -172.2 | 0 | 0 | 0 | 0 | 0 | 112.4 | W2156 V2157 T2158 | W2156-G2332 CarbonylContact C-O 3.6Å; W2156-G2332 VanDerWaalsContact C-O 3.26Å; W2156-G2332 PolarHBondContact O-N 3.03Å; V2157-G2332 CarbonylContact C-O 3.44Å; V2157-G2332 WeakPolarHBondContact CA-O 3.46Å; V2157-G2332 PolarHBondContact N-O 3.34Å; T2158-G2332 PolarHBondContact N-O 3.17Å; T2158-G2332 PolarHBondContact OG1-O 2.86Å |
| 2333 | C | 83.5 | Confident | 77.4 | Confident | 16 Ų | 16 | 69.7 Ų | 69.7 | 11% | 0.108 | 39% | 0.389 | C | S | . | . | trans | -159.3 | 96.9 | 166.6 | -178.3 | 0 | 0 | 0 | 0 | 108.5 | W2156 C2299 A2335 L2336 | W2156-C2333 HydrophobicContact CB-CB 3.93Å; W2156-C2333 HydrophobicContact CD2-CB 4.48Å; W2156-C2333 HydrophobicContact CE3-CB 4.45Å; W2156-C2333 HydrophobicContact CG-CB 4.31Å; C2299-C2333 HydrophobicContact CB-CB 3.65Å; C2299-C2333 WeakPolarHBondContact CB-SG 3.45Å; C2299-C2333 WeakPolarHBondContact SG-CB 3.29Å; C2299-C2333 CovalentContact SG-SG 2.03Å; C2299-C2333 PolarHBondContact SG-SG 2.85Å; C2333-A2335 PolarHBondContact O-N 2.85Å; C2333-L2336 HydrophobicContact CB-CB 4.06Å; C2333-L2336 WeakPolarHBondContact O-CB 3.3Å; C2333-L2336 PolarHBondContact O-N 2.86Å; C2333-L2336 VanDerWaalsContact O-N 3.13Å | ||
| 2334 | D | 71.7 | Confident | 76.6 | Confident | 171 Ų | 171 | 72.6 Ų | 72.6 | 91% | 0.914 | 42% | 0.421 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -68.3 | -19.1 | -174.7 | -64.3 | -32.6 | 0 | 0 | 0 | 112.8 | ||
| 2335 | A | 71.3 | Confident | 76.2 | Confident | 33 Ų | 33 | 75.3 Ų | 75.3 | 27% | 0.273 | 43% | 0.428 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -79.5 | -13.8 | 175 | 0 | 0 | 0 | 0 | 0 | 114.1 | Y2186 C2333 L2337 | Y2186-A2335 HydrophobicContact CD1-CB 4.35Å; Y2186-A2335 HydrophobicContact CE1-CB 3.58Å; Y2186-A2335 PolarHBondContact OH-O 2.99Å; C2333-A2335 PolarHBondContact O-N 2.85Å; A2335-L2337 PolarHBondContact O-N 2.98Å |
| 2336 | L | 73.6 | Confident | 75.7 | Confident | 39 Ų | 39 | 74 Ų | 74 | 20% | 0.204 | 42% | 0.422 | C | S | . | . | trans | -79.3 | 114.4 | -174.6 | -167.4 | 82.9 | 0 | 0 | 0 | 111.7 | W2156 Y2186 C2333 | W2156-L2336 HydrophobicContact CD2-CD2 4.36Å; W2156-L2336 HydrophobicContact CG-CD2 4.35Å; W2156-L2336 HydrophobicContact CH2-CD1 4.32Å; W2156-L2336 HydrophobicContact CZ2-CD1 3.9Å; W2156-L2336 HydrophobicContact CZ2-CD2 4.4Å; Y2186-L2336 HydrophobicContact CD2-CD1 4.07Å; Y2186-L2336 HydrophobicContact CE2-CD1 4.36Å; C2333-L2336 HydrophobicContact CB-CB 4.06Å; C2333-L2336 WeakPolarHBondContact O-CB 3.3Å; C2333-L2336 PolarHBondContact O-N 2.86Å; C2333-L2336 VanDerWaalsContact O-N 3.13Å | ||
| 2337 | L | 73 | Confident | 75.5 | Confident | 93 Ų | 93 | 74.5 Ų | 74.5 | 49% | 0.487 | 43% | 0.434 | S | S | . | . | trans | -70.5 | 150.1 | 173.5 | -63.1 | 175.6 | 0 | 0 | 0 | 112.2 | A2335 L2342 P2359 | A2335-L2337 PolarHBondContact O-N 2.98Å; L2337-L2342 HydrophobicContact CB-CD1 4.15Å; L2337-L2342 HydrophobicContact CD1-CD1 4.15Å; L2337-L2342 HydrophobicContact CD2-CD1 4.46Å; L2337-L2342 HydrophobicContact CD2-CD2 4.19Å; L2337-L2342 HydrophobicContact CD2-CG 4.41Å; L2337-L2342 HydrophobicContact CG-CD1 4.48Å; L2337-P2359 HydrophobicContact CB-CG 4.14Å; L2337-P2359 WeakPolarHBondContact O-CD 3.48Å | ||
| 2338 | T | 74 | Confident | 74.7 | Confident | 44 Ų | 44 | 73.7 Ų | 73.7 | 27% | 0.27 | 45% | 0.449 | S | S | . | . | trans | -143.5 | 166.2 | 175.8 | 63.5 | 0 | 0 | 0 | 0 | 110.8 | D2340 S2341 L2342 | T2338-D2340 PolarHBondContact O-N 2.96Å; T2338-S2341 PolarHBondContact N-OG 3.14Å; T2338-S2341 PolarHBondContact O-N 2.83Å; T2338-S2341 PolarHBondContact O-OG 2.79Å; T2338-S2341 PolarHBondContact OG1-N 2.94Å; T2338-S2341 VanDerWaalsContact OG1-N 3.17Å; T2338-S2341 PolarHBondContact OG1-OG 3.11Å; T2338-L2342 PolarHBondContact O-N 2.65Å | ||
| 2339 | C | 73.3 | Confident | 74.1 | Confident | 21 Ų | 21 | 73.4 Ų | 73.4 | 14% | 0.142 | 45% | 0.451 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -62.8 | -28.3 | 174.2 | -68.5 | 0 | 0 | 0 | 0 | 113.4 | L2342 C2352 V2353 N2354 | C2339-L2342 CarbonylContact O-C 3.06Å; C2339-C2352 WeakPolarHBondContact CA-SG 3.47Å; C2339-C2352 HydrophobicContact CB-CB 3.75Å; C2339-C2352 WeakPolarHBondContact CB-SG 3.48Å; C2339-C2352 WeakPolarHBondContact SG-CB 3.31Å; C2339-C2352 CovalentContact SG-SG 2.04Å; C2339-C2352 PolarHBondContact SG-SG 2.8Å; C2339-V2353 PolarHBondContact SG-N 3.06Å; C2339-V2353 VanDerWaalsContact SG-N 3.36Å; C2339-N2354 WeakPolarHBondContact CB-OD1 3.36Å; C2339-N2354 PolarHBondContact N-OD1 3.02Å; C2339-N2354 PolarHBondContact SG-OD1 3.39Å |
| 2340 | D | 69.1 | Low | 74 | Confident | 144 Ų | 144 | 73.6 Ų | 73.6 | 77% | 0.77 | 45% | 0.451 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -77.6 | -30.7 | 176.1 | -68.6 | -37.2 | 0 | 0 | 0 | 111.8 | T2338 | T2338-D2340 PolarHBondContact O-N 2.96Š|
| 2341 | S | 71.6 | Confident | 73.9 | Confident | 62 Ų | 62 | 72.3 Ų | 72.3 | 43% | 0.434 | 45% | 0.451 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -80.8 | -13.9 | 173.5 | 72 | 0 | 0 | 0 | 0 | 113.6 | T2338 P2343 | T2338-S2341 PolarHBondContact N-OG 3.14Å; T2338-S2341 PolarHBondContact O-N 2.83Å; T2338-S2341 PolarHBondContact O-OG 2.79Å; T2338-S2341 PolarHBondContact OG1-N 2.94Å; T2338-S2341 VanDerWaalsContact OG1-N 3.17Å; T2338-S2341 PolarHBondContact OG1-OG 3.11Å; S2341-P2343 WeakPolarHBondContact O-CD 3.33Å |
| 2342 | L | 73.9 | Confident | 73.8 | Confident | 47 Ų | 47 | 68.9 Ų | 68.9 | 25% | 0.246 | 43% | 0.43 | C | S | . | . | S | Bend | trans | -120.3 | 65.7 | 178.4 | -59.6 | 178.5 | 0 | 0 | 0 | 112 | L2337 T2338 C2339 G2344 Y2345 P2359 | L2337-L2342 HydrophobicContact CB-CD1 4.15Å; L2337-L2342 HydrophobicContact CD1-CD1 4.15Å; L2337-L2342 HydrophobicContact CD2-CD1 4.46Å; L2337-L2342 HydrophobicContact CD2-CD2 4.19Å; L2337-L2342 HydrophobicContact CD2-CG 4.41Å; L2337-L2342 HydrophobicContact CG-CD1 4.48Å; T2338-L2342 PolarHBondContact O-N 2.65Å; C2339-L2342 CarbonylContact O-C 3.06Å; L2342-G2344 PolarHBondContact O-N 2.94Å; L2342-G2344 VanDerWaalsContact O-N 3.07Å; L2342-Y2345 HydrophobicContact CB-CD2 4.28Å; L2342-Y2345 HydrophobicContact CB-CG 4.21Å; L2342-Y2345 HydrophobicContact CD1-CD2 3.69Å; L2342-Y2345 HydrophobicContact CD1-CE2 3.95Å; L2342-Y2345 HydrophobicContact CD1-CG 4.11Å; L2342-Y2345 VanDerWaalsContact O-CB 3.32Å; L2342-Y2345 WeakPolarHBondContact O-CB 3.41Å; L2342-Y2345 PolarHBondContact O-N 2.98Å; L2342-P2359 HydrophobicContact CD1-CG 3.79Å |
| 2343 | P | 66 | Low | 73.6 | Confident | 119 Ų | 119 | 70.1 Ų | 70.1 | 77% | 0.773 | 43% | 0.431 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -62 | 113.9 | 179.7 | 26.3 | -34.9 | 0 | 0 | 0 | 111.3 | S2341 | S2341-P2343 WeakPolarHBondContact O-CD 3.33Š|
| 2344 | G | 70.5 | Confident | 72.9 | Confident | 72 Ų | 72 | 73.7 Ų | 73.7 | 74% | 0.742 | 45% | 0.449 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 94.8 | 6.7 | -177.8 | 0 | 0 | 0 | 0 | 0 | 115.4 | L2342 C2346 | L2342-G2344 PolarHBondContact O-N 2.94Å; L2342-G2344 VanDerWaalsContact O-N 3.07Å; G2344-C2346 PolarHBondContact O-N 2.85Å; G2344-C2346 VanDerWaalsContact O-N 3.12Å |
| 2345 | Y | 75 | Confident | 73 | Confident | 121 Ų | 121 | 68.7 Ų | 68.7 | 48% | 0.475 | 42% | 0.419 | S | S | . | . | trans | -46.7 | -40.5 | 176.5 | -172.5 | -120.8 | 0 | 0 | 0 | 113.9 | L2342 P2359 C2361 | L2342-Y2345 HydrophobicContact CB-CD2 4.28Å; L2342-Y2345 HydrophobicContact CB-CG 4.21Å; L2342-Y2345 HydrophobicContact CD1-CD2 3.69Å; L2342-Y2345 HydrophobicContact CD1-CE2 3.95Å; L2342-Y2345 HydrophobicContact CD1-CG 4.11Å; L2342-Y2345 VanDerWaalsContact O-CB 3.32Å; L2342-Y2345 WeakPolarHBondContact O-CB 3.41Å; L2342-Y2345 PolarHBondContact O-N 2.98Å; Y2345-P2359 HydrophobicContact CD1-CB 4.41Å; Y2345-P2359 HydrophobicContact CE1-CB 4.37Å; Y2345-P2359 HydrophobicContact CE1-CG 4.4Å; Y2345-P2359 VanDerWaalsContact CE1-O 3.29Å; Y2345-P2359 WeakPolarHBondContact CE1-O 3.17Å; Y2345-C2361 WeakPolarHBondContact CD1-SG 3.2Å | ||
| 2346 | C | 74.6 | Confident | 73.1 | Confident | 18 Ų | 18 | 68.6 Ų | 68.6 | 12% | 0.122 | 41% | 0.412 | C | S | . | . | S | Bend | trans | -102.9 | 122.5 | -178.7 | -55.9 | 0 | 0 | 0 | 0 | 112.1 | G2344 S2348 L2350 C2352 C2361 | G2344-C2346 PolarHBondContact O-N 2.85Å; G2344-C2346 VanDerWaalsContact O-N 3.12Å; C2346-S2348 PolarHBondContact O-N 3.49Å; C2346-L2350 HydrophobicContact CB-CB 3.89Å; C2346-C2352 HydrophobicContact CB-CB 4.34Å; C2346-C2352 WeakPolarHBondContact SG-CA 3.41Å; C2346-C2352 WeakPolarHBondContact SG-CB 3.25Å; C2346-C2361 WeakPolarHBondContact CA-SG 3.17Å; C2346-C2361 HydrophobicContact CB-CB 3.79Å; C2346-C2361 WeakPolarHBondContact CB-SG 3.43Å; C2346-C2361 WeakPolarHBondContact SG-CA 3.27Å; C2346-C2361 WeakPolarHBondContact SG-CB 3.47Å; C2346-C2361 CovalentContact SG-SG 2.03Å; C2346-C2361 PolarHBondContact SG-SG 2.92Å |
| 2347 | S | 77.9 | Confident | 73.1 | Confident | 89 Ų | 89 | 67.5 Ų | 67.5 | 62% | 0.622 | 41% | 0.405 | S | S | * | . | trans | -71.5 | 112.3 | 175.8 | 46 | 0 | 0 | 0 | 0 | 110.9 | L2350 | S2347-L2350 VanDerWaalsContact O-CB 3.31Å; S2347-L2350 WeakPolarHBondContact O-CB 3Å; S2347-L2350 PolarHBondContact O-N 2.95Å | ||
| 2348 | S | 65.5 | Low | 73.1 | Confident | 117 Ų | 117 | 63.7 Ų | 63.7 | 82% | 0.818 | 39% | 0.389 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -48.6 | 126.7 | 176.5 | -178.5 | 0 | 0 | 0 | 0 | 110.9 | C2346 | C2346-S2348 PolarHBondContact O-N 3.49Š|
| 2349 | P | 66.6 | Low | 73.1 | Confident | 73 Ų | 73 | 62.2 Ų | 62.2 | 47% | 0.474 | 38% | 0.38 | S | S | . | . | T | Hydrogen-bonded Turn | cis | -90.8 | 8.1 | 23.2 | 36.9 | -39.8 | 0 | 0 | 0 | 117.2 | P2364 C2378 | P2349-P2364 WeakPolarHBondContact O-CD 3.49Å; P2349-C2378 HydrophobicContact CG-CB 3.91Å |
| 2350 | L | 81.8 | Confident | 73.3 | Confident | 28 Ų | 28 | 62.3 Ų | 62.3 | 15% | 0.147 | 38% | 0.378 | C | S | . | . | trans | -66 | 147.6 | 174.3 | -67.1 | 160.5 | 0 | 0 | 0 | 111.3 | C2346 S2347 C2361 T2362 L2376 C2378 | C2346-L2350 HydrophobicContact CB-CB 3.89Å; S2347-L2350 VanDerWaalsContact O-CB 3.31Å; S2347-L2350 WeakPolarHBondContact O-CB 3Å; S2347-L2350 PolarHBondContact O-N 2.95Å; L2350-C2361 HydrophobicContact CB-CB 4.21Å; L2350-C2361 HydrophobicContact CD1-CB 4.2Å; L2350-C2361 HydrophobicContact CD2-CB 4.48Å; L2350-T2362 CarbonylContact C-O 3.52Å; L2350-T2362 WeakPolarHBondContact CA-O 3.45Å; L2350-L2376 HydrophobicContact CD2-CD2 3.92Å; L2350-L2376 HydrophobicContact CD2-CG 4.12Å; L2350-C2378 VanDerWaalsContact CD2-SG 3.5Å | ||
| 2351 | V | 78.2 | Confident | 73.8 | Confident | 70 Ų | 70 | 56.8 Ų | 56.8 | 42% | 0.424 | 35% | 0.35 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.5 | 134.8 | 177 | 178.4 | 0 | 0 | 0 | 0 | 108.4 | T2362 P2364 | V2351-T2362 PolarHBondContact N-O 2.93Å; V2351-T2362 PolarHBondContact O-N 3.3Å; V2351-P2364 HydrophobicContact CG2-CG 3.88Å |
| 2352 | C | 78.9 | Confident | 74.3 | Confident | 38 Ų | 38 | 54.3 Ų | 54.3 | 26% | 0.257 | 33% | 0.333 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -78.3 | 129.6 | 172.4 | -165.6 | 0 | 0 | 0 | 0 | 110 | C2339 C2346 F2360 | C2339-C2352 WeakPolarHBondContact CA-SG 3.47Å; C2339-C2352 HydrophobicContact CB-CB 3.75Å; C2339-C2352 WeakPolarHBondContact CB-SG 3.48Å; C2339-C2352 WeakPolarHBondContact SG-CB 3.31Å; C2339-C2352 CovalentContact SG-SG 2.04Å; C2339-C2352 PolarHBondContact SG-SG 2.8Å; C2346-C2352 HydrophobicContact CB-CB 4.34Å; C2346-C2352 WeakPolarHBondContact SG-CA 3.41Å; C2346-C2352 WeakPolarHBondContact SG-CB 3.25Å; C2352-F2360 WeakPolarHBondContact CA-O 3.3Å |
| 2353 | V | 75.1 | Confident | 74.5 | Confident | 58 Ų | 58 | 52.2 Ų | 52.2 | 35% | 0.352 | 32% | 0.322 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.1 | 129.1 | 175.1 | 179.4 | 0 | 0 | 0 | 0 | 108.7 | C2339 F2355 P2359 F2360 T2362 | C2339-V2353 PolarHBondContact SG-N 3.06Å; C2339-V2353 VanDerWaalsContact SG-N 3.36Å; V2353-F2355 PolarHBondContact O-N 2.91Å; V2353-P2359 WeakPolarHBondContact O-CA 3.46Å; V2353-F2360 HydrophobicContact CB-CD1 4.07Å; V2353-F2360 HydrophobicContact CB-CE1 3.62Å; V2353-F2360 HydrophobicContact CB-CZ 4.01Å; V2353-F2360 HydrophobicContact CG1-CD1 4.44Å; V2353-F2360 HydrophobicContact CG1-CE1 3.65Å; V2353-F2360 HydrophobicContact CG1-CZ 4.14Å; V2353-F2360 PolarHBondContact N-O 3.43Å; V2353-F2360 VanDerWaalsContact O-CD1 3.31Å; V2353-F2360 WeakPolarHBondContact O-CD1 3.47Å; V2353-F2360 PolarHBondContact O-N 3.03Å; V2353-T2362 HydrophobicContact CG2-CG2 3.78Å |
| 2354 | N | 68.9 | Low | 74.8 | Confident | 91 Ų | 91 | 48.4 Ų | 48.4 | 49% | 0.487 | 30% | 0.297 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -71.3 | 125.2 | 171.7 | -72.9 | -34.2 | 0 | 0 | 0 | 109.3 | C2339 | C2339-N2354 WeakPolarHBondContact CB-OD1 3.36Å; C2339-N2354 PolarHBondContact N-OD1 3.02Å; C2339-N2354 PolarHBondContact SG-OD1 3.39Å |
| 2355 | F | 73.3 | Confident | 74.2 | Confident | 66 Ų | 66 | 50.7 Ų | 50.7 | 29% | 0.289 | 30% | 0.299 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.4 | 165.4 | 176.2 | -177.3 | -123.4 | 0 | 0 | 0 | 109.7 | F1888 V2353 K2357 G2358 F2360 | F1888-F2355 HydrophobicContact CB-CE1 4.41Å; F1888-F2355 HydrophobicContact CD1-CD1 4.4Å; F1888-F2355 AromaticContact CD1-CE1 3.98Å; F1888-F2355 HydrophobicContact CD1-CE1 3.98Å; F1888-F2355 HydrophobicContact CD2-CD1 4.25Å; F1888-F2355 AromaticContact CD2-CE1 3.62Å; F1888-F2355 HydrophobicContact CD2-CE1 3.62Å; F1888-F2355 HydrophobicContact CD2-CZ 4.05Å; F1888-F2355 HydrophobicContact CE1-CD1 4.02Å; F1888-F2355 HydrophobicContact CE1-CE1 4.06Å; F1888-F2355 AromaticContact CE2-CD1 3.87Å; F1888-F2355 HydrophobicContact CE2-CD1 3.87Å; F1888-F2355 AromaticContact CE2-CE1 3.72Å; F1888-F2355 HydrophobicContact CE2-CE1 3.72Å; F1888-F2355 HydrophobicContact CE2-CZ 4.31Å; F1888-F2355 HydrophobicContact CG-CD1 4.5Å; F1888-F2355 AromaticContact CG-CE1 3.75Å; F1888-F2355 HydrophobicContact CG-CE1 3.75Å; F1888-F2355 HydrophobicContact CG-CZ 4.43Å; F1888-F2355 AromaticContact CZ-CD1 3.74Å; F1888-F2355 HydrophobicContact CZ-CD1 3.74Å; F1888-F2355 AromaticContact CZ-CE1 3.93Å; F1888-F2355 HydrophobicContact CZ-CE1 3.93Å; V2353-F2355 PolarHBondContact O-N 2.91Å; F2355-K2357 VanDerWaalsContact C-N 3.27Å; F2355-K2357 HydrophobicContact CD1-CB 3.88Å; F2355-K2357 HydrophobicContact CD1-CG 4.35Å; F2355-K2357 HydrophobicContact CE1-CB 4.11Å; F2355-K2357 HydrophobicContact CE1-CD 4.48Å; F2355-K2357 HydrophobicContact CE1-CG 4.07Å; F2355-K2357 PolarHBondContact O-N 2.86Å; F2355-G2358 CarbonylContact C-O 3.49Å; F2355-G2358 WeakPolarHBondContact CB-O 3.37Å; F2355-G2358 PolarHBondContact N-O 2.88Å; F2355-G2358 VanDerWaalsContact N-O 3.17Å; F2355-G2358 CarbonylContact O-C 3.36Å; F2355-G2358 WeakPolarHBondContact O-CA 3.49Å; F2355-G2358 PolarHBondContact O-N 3.2Å; F2355-G2358 VanDerWaalsContact O-O 3.12Å; F2355-F2360 HydrophobicContact CB-CD1 3.61Å; F2355-F2360 HydrophobicContact CB-CE1 3.7Å; F2355-F2360 HydrophobicContact CG-CD1 4.32Å; F2355-F2360 HydrophobicContact CG-CE1 4.2Å |
| 2356 | W | 73.6 | Confident | 73.4 | Confident | 30 Ų | 30 | 51.7 Ų | 51.7 | 11% | 0.114 | 31% | 0.312 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -69.7 | -24 | -174.3 | 65.7 | -100.1 | 0 | 0 | 0 | 113 | P2143 L2184 S2241 H2243 D2258 G2358 | P2143-W2356 HydrophobicContact CB-CD2 3.93Å; P2143-W2356 HydrophobicContact CB-CG 3.9Å; P2143-W2356 HydrophobicContact CG-CD2 4.33Å; P2143-W2356 HydrophobicContact CG-CZ2 4.11Å; L2184-W2356 HydrophobicContact CD1-CD2 4.49Å; L2184-W2356 HydrophobicContact CD1-CE3 3.67Å; L2184-W2356 HydrophobicContact CD1-CZ3 4.09Å; S2241-W2356 WeakPolarHBondContact CB-O 3.22Å; S2241-W2356 PolarHBondContact OG-O 3.25Å; H2243-W2356 HydrophobicContact CB-CH2 3.73Å; H2243-W2356 HydrophobicContact CB-CZ2 4.27Å; H2243-W2356 HydrophobicContact CB-CZ3 3.9Å; D2258-W2356 HydrophobicContact CB-CH2 3.79Å; D2258-W2356 HydrophobicContact CB-CZ2 4.3Å; D2258-W2356 WeakPolarHBondContact OD1-CH2 3.4Å; W2356-G2358 PolarHBondContact O-N 3.23Å |
| 2357 | K | 73.9 | Confident | 72.9 | Confident | 16 Ų | 16 | 52.2 Ų | 52.2 | 7% | 0.07 | 32% | 0.315 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -75.3 | -0.3 | 167.7 | -72.8 | -162.7 | 169.2 | -168.5 | 0 | 114.5 | T1883 T1886 F1887 F1888 S2241 D2258 F2355 | T1883-K2357 HydrophobicContact CG2-CD 4.01Å; T1886-K2357 PolarHBondContact OG1-NZ 2.91Å; F1887-K2357 PolarHBondContact O-NZ 3.29Å; F1888-K2357 HydrophobicContact CD1-CD 3.98Å; S2241-K2357 WeakPolarHBondContact OG-CA 3.41Å; D2258-K2357 WeakPolarHBondContact OD2-CE 3.41Å; D2258-K2357 IonicContact OD2-NZ 3.16Å; D2258-K2357 PolarHBondContact OD2-NZ 2.66Å; F2355-K2357 VanDerWaalsContact C-N 3.27Å; F2355-K2357 HydrophobicContact CD1-CB 3.88Å; F2355-K2357 HydrophobicContact CD1-CG 4.35Å; F2355-K2357 HydrophobicContact CE1-CB 4.11Å; F2355-K2357 HydrophobicContact CE1-CD 4.48Å; F2355-K2357 HydrophobicContact CE1-CG 4.07Å; F2355-K2357 PolarHBondContact O-N 2.86Å |
| 2358 | G | 72.5 | Confident | 72 | Confident | 13 Ų | 13 | 49.9 Ų | 49.9 | 13% | 0.134 | 30% | 0.299 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 109.7 | -177.2 | -170.2 | 0 | 0 | 0 | 0 | 0 | 113 | F2355 W2356 | F2355-G2358 CarbonylContact C-O 3.49Å; F2355-G2358 WeakPolarHBondContact CB-O 3.37Å; F2355-G2358 PolarHBondContact N-O 2.88Å; F2355-G2358 VanDerWaalsContact N-O 3.17Å; F2355-G2358 CarbonylContact O-C 3.36Å; F2355-G2358 WeakPolarHBondContact O-CA 3.49Å; F2355-G2358 PolarHBondContact O-N 3.2Å; F2355-G2358 VanDerWaalsContact O-O 3.12Å; W2356-G2358 PolarHBondContact O-N 3.23Å |
| 2359 | P | 75 | Confident | 72.1 | Confident | 13 Ų | 13 | 46.5 Ų | 46.5 | 8% | 0.084 | 27% | 0.27 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -74.6 | 138.6 | -179.3 | 29.9 | -31.7 | 0 | 0 | 0 | 110.9 | L2337 L2342 Y2345 V2353 | L2337-P2359 HydrophobicContact CB-CG 4.14Å; L2337-P2359 WeakPolarHBondContact O-CD 3.48Å; L2342-P2359 HydrophobicContact CD1-CG 3.79Å; Y2345-P2359 HydrophobicContact CD1-CB 4.41Å; Y2345-P2359 HydrophobicContact CE1-CB 4.37Å; Y2345-P2359 HydrophobicContact CE1-CG 4.4Å; Y2345-P2359 VanDerWaalsContact CE1-O 3.29Å; Y2345-P2359 WeakPolarHBondContact CE1-O 3.17Å; V2353-P2359 WeakPolarHBondContact O-CA 3.46Å |
| 2360 | F | 76.4 | Confident | 72 | Confident | 24 Ų | 24 | 47.8 Ų | 47.8 | 11% | 0.105 | 27% | 0.266 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.8 | 159.6 | 177.2 | 79.2 | -80.4 | 0 | 0 | 0 | 112.4 | H1881 F1888 C2352 V2353 F2355 T2362 | H1881-F2360 AromaticContact CD2-CD2 3.82Å; H1881-F2360 AromaticContact CD2-CE2 3.82Å; H1881-F2360 AromaticContact CE1-CD2 3.48Å; H1881-F2360 VanDerWaalsContact CE1-CD2 3.48Å; H1881-F2360 WeakPolarHBondContact CE1-CD2 3.22Å; H1881-F2360 AromaticContact CE1-CE2 3.73Å; H1881-F2360 AromaticContact CG-CD2 3.89Å; H1881-F2360 AromaticContact ND1-CD2 3.7Å; H1881-F2360 AromaticContact NE2-CD2 3.55Å; H1881-F2360 AromaticContact NE2-CE2 3.37Å; H1881-F2360 WeakPolarHBondContact NE2-CE2 3.4Å; F1888-F2360 HydrophobicContact CE1-CB 4.49Å; F1888-F2360 HydrophobicContact CE2-CD1 4.39Å; F1888-F2360 HydrophobicContact CE2-CD2 4.18Å; F1888-F2360 HydrophobicContact CE2-CE1 4.37Å; F1888-F2360 HydrophobicContact CE2-CE2 4.15Å; F1888-F2360 HydrophobicContact CE2-CG 4.29Å; F1888-F2360 HydrophobicContact CE2-CZ 4.25Å; F1888-F2360 HydrophobicContact CZ-CB 3.87Å; F1888-F2360 AromaticContact CZ-CD1 3.9Å; F1888-F2360 HydrophobicContact CZ-CD1 3.9Å; F1888-F2360 AromaticContact CZ-CD2 3.81Å; F1888-F2360 HydrophobicContact CZ-CD2 3.81Å; F1888-F2360 HydrophobicContact CZ-CE1 4.33Å; F1888-F2360 HydrophobicContact CZ-CE2 4.24Å; F1888-F2360 AromaticContact CZ-CG 3.61Å; F1888-F2360 HydrophobicContact CZ-CG 3.61Å; F1888-F2360 HydrophobicContact CZ-CZ 4.49Å; C2352-F2360 WeakPolarHBondContact CA-O 3.3Å; V2353-F2360 HydrophobicContact CB-CD1 4.07Å; V2353-F2360 HydrophobicContact CB-CE1 3.62Å; V2353-F2360 HydrophobicContact CB-CZ 4.01Å; V2353-F2360 HydrophobicContact CG1-CD1 4.44Å; V2353-F2360 HydrophobicContact CG1-CE1 3.65Å; V2353-F2360 HydrophobicContact CG1-CZ 4.14Å; V2353-F2360 PolarHBondContact N-O 3.43Å; V2353-F2360 VanDerWaalsContact O-CD1 3.31Å; V2353-F2360 WeakPolarHBondContact O-CD1 3.47Å; V2353-F2360 PolarHBondContact O-N 3.03Å; F2355-F2360 HydrophobicContact CB-CD1 3.61Å; F2355-F2360 HydrophobicContact CB-CE1 3.7Å; F2355-F2360 HydrophobicContact CG-CD1 4.32Å; F2355-F2360 HydrophobicContact CG-CE1 4.2Å; F2360-T2362 HydrophobicContact CD2-CG2 4.47Å; F2360-T2362 HydrophobicContact CE2-CG2 3.79Å; F2360-T2362 HydrophobicContact CZ-CG2 4.22Å |
| 2361 | C | 80.7 | Confident | 71.1 | Confident | 28 Ų | 28 | 51.1 Ų | 51.1 | 19% | 0.189 | 28% | 0.277 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.9 | 118.1 | -177 | -63 | 0 | 0 | 0 | 0 | 111.5 | H1881 Y2345 C2346 L2350 L2376 | H1881-C2361 PolarHBondContact CE1-O 2.72Å; Y2345-C2361 WeakPolarHBondContact CD1-SG 3.2Å; C2346-C2361 WeakPolarHBondContact CA-SG 3.17Å; C2346-C2361 HydrophobicContact CB-CB 3.79Å; C2346-C2361 WeakPolarHBondContact CB-SG 3.43Å; C2346-C2361 WeakPolarHBondContact SG-CA 3.27Å; C2346-C2361 WeakPolarHBondContact SG-CB 3.47Å; C2346-C2361 CovalentContact SG-SG 2.03Å; C2346-C2361 PolarHBondContact SG-SG 2.92Å; L2350-C2361 HydrophobicContact CB-CB 4.21Å; L2350-C2361 HydrophobicContact CD1-CB 4.2Å; L2350-C2361 HydrophobicContact CD2-CB 4.48Å; C2361-L2376 WeakPolarHBondContact O-CD2 3.4Å |
| 2362 | T | 81.6 | Confident | 69.9 | Low | 10 Ų | 10 | 51.4 Ų | 51.4 | 6% | 0.061 | 27% | 0.274 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.6 | 166.8 | 178.9 | -171.9 | 0 | 0 | 0 | 0 | 113.4 | E1890 R1892 L2350 V2351 V2353 F2360 | E1890-T2362 VanDerWaalsContact CD-OG1 3.28Å; E1890-T2362 PolarHBondContact OE1-OG1 3.42Å; E1890-T2362 WeakPolarHBondContact OE2-CB 3.33Å; E1890-T2362 PolarHBondContact OE2-OG1 2.92Å; R1892-T2362 PolarHBondContact NH2-OG1 3.21Å; L2350-T2362 CarbonylContact C-O 3.52Å; L2350-T2362 WeakPolarHBondContact CA-O 3.45Å; V2351-T2362 PolarHBondContact N-O 2.93Å; V2351-T2362 PolarHBondContact O-N 3.3Å; V2353-T2362 HydrophobicContact CG2-CG2 3.78Å; F2360-T2362 HydrophobicContact CD2-CG2 4.47Å; F2360-T2362 HydrophobicContact CE2-CG2 3.79Å; F2360-T2362 HydrophobicContact CZ-CG2 4.22Å |
| 2363 | C | 78.9 | Confident | 68.6 | Low | 2 Ų | 2 | 55 Ų | 55 | 1% | 0.014 | 29% | 0.291 | C | S | . | . | trans | -77.9 | 140.1 | 178.6 | -66.5 | 0 | 0 | 0 | 0 | 111.8 | R1892 T2367 C2378 | R1892-C2363 PolarHBondContact NH2-O 2.99Å; C2363-T2367 WeakPolarHBondContact CB-OG1 3.29Å; C2363-C2378 WeakPolarHBondContact CA-SG 3.28Å; C2363-C2378 HydrophobicContact CB-CB 3.68Å; C2363-C2378 WeakPolarHBondContact CB-SG 3.42Å; C2363-C2378 WeakPolarHBondContact SG-CA 3.34Å; C2363-C2378 WeakPolarHBondContact SG-CB 3.34Å; C2363-C2378 CovalentContact SG-SG 2.04Å; C2363-C2378 PolarHBondContact SG-SG 2.68Å | ||
| 2364 | P | 72.6 | Confident | 67.9 | Low | 39 Ų | 39 | 55.6 Ų | 55.6 | 25% | 0.253 | 31% | 0.309 | S | S | . | . | trans | -48.9 | 148.6 | 171.8 | -27.5 | 32.3 | 0 | 0 | 0 | 112.9 | R1892 P2349 V2351 D2366 T2367 | R1892-P2364 PolarHBondContact NH1-O 3.33Å; P2349-P2364 WeakPolarHBondContact O-CD 3.49Å; V2351-P2364 HydrophobicContact CG2-CG 3.88Å; P2364-D2366 VanDerWaalsContact C-N 3.28Å; P2364-D2366 PolarHBondContact O-N 2.83Å; P2364-T2367 HydrophobicContact CB-CG2 4.14Å; P2364-T2367 WeakPolarHBondContact CD-OG1 3.45Å; P2364-T2367 HydrophobicContact CG-CG2 4.38Å; P2364-T2367 PolarHBondContact O-N 2.98Å; P2364-T2367 PolarHBondContact O-OG1 2.79Å | ||
| 2365 | P | 58.3 | Low | 67.4 | Low | 120 Ų | 120 | 57.1 Ų | 57.1 | 78% | 0.779 | 31% | 0.313 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -52 | -43.1 | -176 | -30.1 | 36.1 | 0 | 0 | 0 | 114 | T2367 | P2365-T2367 PolarHBondContact O-N 2.79Å; P2365-T2367 VanDerWaalsContact O-N 3.13Å |
| 2366 | D | 57 | Low | 67.3 | Low | 143 Ų | 143 | 55.2 Ų | 55.2 | 77% | 0.765 | 31% | 0.305 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -80 | 19.6 | -179.8 | -59.2 | -49.9 | 0 | 0 | 0 | 114.6 | P2364 P2381 | P2364-D2366 VanDerWaalsContact C-N 3.28Å; P2364-D2366 PolarHBondContact O-N 2.83Å; D2366-P2381 WeakPolarHBondContact O-CD 3.1Å |
| 2367 | T | 63.7 | Low | 67.2 | Low | 28 Ų | 28 | 58.7 Ų | 58.7 | 17% | 0.172 | 32% | 0.319 | C | S | . | . | S | Bend | trans | -124 | 143.1 | -179.5 | 60.5 | 0 | 0 | 0 | 0 | 113 | R1892 C2363 P2364 P2365 S2379 | R1892-T2367 PolarHBondContact NH1-O 3.45Å; C2363-T2367 WeakPolarHBondContact CB-OG1 3.29Å; P2364-T2367 HydrophobicContact CB-CG2 4.14Å; P2364-T2367 WeakPolarHBondContact CD-OG1 3.45Å; P2364-T2367 HydrophobicContact CG-CG2 4.38Å; P2364-T2367 PolarHBondContact O-N 2.98Å; P2364-T2367 PolarHBondContact O-OG1 2.79Å; P2365-T2367 PolarHBondContact O-N 2.79Å; P2365-T2367 VanDerWaalsContact O-N 3.13Å; T2367-S2379 CarbonylContact C-O 3.48Å; T2367-S2379 WeakPolarHBondContact CA-O 3.34Å; T2367-S2379 WeakPolarHBondContact CB-O 3.14Å |
| 2368 | S | 60.7 | Low | 67.1 | Low | 41 Ų | 41 | 59 Ų | 59 | 29% | 0.287 | 32% | 0.322 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -85 | 122.4 | 173.9 | 32 | 0 | 0 | 0 | 0 | 110.2 | S2379 | S2368-S2379 PolarHBondContact N-O 3.12Å; S2368-S2379 PolarHBondContact O-N 2.82Å; S2368-S2379 PolarHBondContact O-OG 2.95Å; S2368-S2379 PolarHBondContact OG-O 3.38Å; S2368-S2379 PolarHBondContact OG-OG 2.85Å |
| 2369 | H | 66.9 | Low | 66.7 | Low | 46 Ų | 46 | 60.2 Ų | 60.2 | 21% | 0.213 | 33% | 0.329 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -78.1 | 160.4 | 173.2 | 62 | -107.2 | 0 | 0 | 0 | 111.7 | N1877 I1879 L2376 R2377 | N1877-H2369 PolarHBondContact O-CE1 2.98Å; N1877-H2369 PolarHBondContact O-NE2 2.7Å; I1879-H2369 HydrophobicContact CD1-CB 3.87Å; I1879-H2369 VanDerWaalsContact CD1-ND1 3.35Å; I1879-H2369 WeakPolarHBondContact CD1-ND1 3.47Å; I1879-H2369 HydrophobicContact CG1-CB 4.34Å; I1879-H2369 VanDerWaalsContact CG1-ND1 3.33Å; I1879-H2369 WeakPolarHBondContact CG1-ND1 3.16Å; H2369-L2376 HydrophobicContact CB-CD1 3.82Å; H2369-R2377 CarbonylContact C-O 3.55Å; H2369-R2377 VanDerWaalsContact CA-O 3.32Å; H2369-R2377 WeakPolarHBondContact CA-O 3.43Å |
| 2370 | Y | 65.2 | Low | 65.7 | Low | 99 Ų | 99 | 70.4 Ų | 70.4 | 39% | 0.388 | 37% | 0.366 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -156.8 | 154.1 | 161 | 64.1 | -78 | 0 | 0 | 0 | 108.8 | Q2372 R2377 | Y2370-Q2372 HydrophobicContact CD2-CB 4.13Å; Y2370-Q2372 HydrophobicContact CE2-CB 3.87Å; Y2370-Q2372 HydrophobicContact CE2-CG 4.49Å; Y2370-R2377 HydrophobicContact CD1-CB 4.18Å; Y2370-R2377 WeakPolarHBondContact CD1-O 3.42Å; Y2370-R2377 HydrophobicContact CD2-CB 4.37Å; Y2370-R2377 HydrophobicContact CE1-CB 3.65Å; Y2370-R2377 HydrophobicContact CE2-CB 3.9Å; Y2370-R2377 VanDerWaalsContact CZ-CB 3.5Å; Y2370-R2377 PolarHBondContact N-O 2.93Å; Y2370-R2377 PolarHBondContact O-N 3.14Å |
| 2371 | Y | 61 | Low | 64.2 | Low | 99 Ų | 99 | 72.8 Ų | 72.8 | 39% | 0.388 | 38% | 0.384 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.1 | 141.3 | 170.9 | -69.8 | -95.4 | 0 | 0 | 0 | 109.8 | I1879 C1880 Q2375 L2376 | I1879-Y2371 WeakPolarHBondContact CG2-OH 3.33Å; C1880-Y2371 WeakPolarHBondContact CA-OH 3.45Å; C1880-Y2371 PolarHBondContact N-OH 2.95Å; C1880-Y2371 PolarHBondContact O-OH 3.02Å; Y2371-Q2375 WeakPolarHBondContact CA-O 3.34Å; Y2371-L2376 HydrophobicContact CE1-CB 4.22Å; Y2371-L2376 HydrophobicContact CE1-CD1 4.34Å; Y2371-L2376 HydrophobicContact CE2-CD1 4.19Å |
| 2372 | Q | 53.7 | Low | 62.2 | Low | 75 Ų | 75 | 78.5 Ų | 78.5 | 35% | 0.35 | 41% | 0.412 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -148.1 | 122.9 | 174.9 | -163.2 | -152.7 | -49.3 | 0 | 0 | 109.7 | Y2370 G2374 Q2375 | Y2370-Q2372 HydrophobicContact CD2-CB 4.13Å; Y2370-Q2372 HydrophobicContact CE2-CB 3.87Å; Y2370-Q2372 HydrophobicContact CE2-CG 4.49Å; Q2372-G2374 VanDerWaalsContact C-N 3.26Å; Q2372-G2374 PolarHBondContact O-N 3.27Å; Q2372-Q2375 PolarHBondContact N-O 2.92Å; Q2372-Q2375 PolarHBondContact O-N 3.28Å |
| 2373 | D | 52.5 | Low | 60.3 | Low | 114 Ų | 114 | 81.8 Ų | 81.8 | 61% | 0.61 | 44% | 0.44 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 49.9 | 49.8 | -175.5 | -55.5 | -80.6 | 0 | 0 | 0 | 110.6 | Q2375 R2440 | D2373-Q2375 PolarHBondContact O-N 3Å; D2373-R2440 IonicContact OD1-NH2 3.33Å; D2373-R2440 PolarHBondContact OD1-NH2 2.8Å |
| 2374 | G | 59.1 | Low | 58.2 | Low | 71 Ų | 71 | 83.9 Ų | 83.9 | 73% | 0.732 | 46% | 0.457 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 74.6 | -23.7 | -176.4 | 0 | 0 | 0 | 0 | 0 | 116.2 | Q2372 | Q2372-G2374 VanDerWaalsContact C-N 3.26Å; Q2372-G2374 PolarHBondContact O-N 3.27Å |
| 2375 | Q | 59.6 | Low | 56.3 | Low | 123 Ų | 123 | 90.6 Ų | 90.6 | 58% | 0.575 | 48% | 0.482 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -88 | 138.1 | -173.2 | -66.6 | -175 | -16.6 | 0 | 0 | 113.7 | Y2371 Q2372 D2373 | Y2371-Q2375 WeakPolarHBondContact CA-O 3.34Å; Q2372-Q2375 PolarHBondContact N-O 2.92Å; Q2372-Q2375 PolarHBondContact O-N 3.28Å; D2373-Q2375 PolarHBondContact O-N 3Å |
| 2376 | L | 70.2 | Confident | 55.1 | Low | 25 Ų | 25 | 95.5 Ų | 95.5 | 13% | 0.131 | 49% | 0.487 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -68.2 | 127.1 | 171 | -179.3 | 62.7 | 0 | 0 | 0 | 111.1 | I1879 L2350 C2361 H2369 Y2371 | I1879-L2376 HydrophobicContact CD1-CD1 4.49Å; I1879-L2376 HydrophobicContact CG2-CD1 3.77Å; I1879-L2376 HydrophobicContact CG2-CD2 3.64Å; I1879-L2376 HydrophobicContact CG2-CG 4.35Å; L2350-L2376 HydrophobicContact CD2-CD2 3.92Å; L2350-L2376 HydrophobicContact CD2-CG 4.12Å; C2361-L2376 WeakPolarHBondContact O-CD2 3.4Å; H2369-L2376 HydrophobicContact CB-CD1 3.82Å; Y2371-L2376 HydrophobicContact CE1-CB 4.22Å; Y2371-L2376 HydrophobicContact CE1-CD1 4.34Å; Y2371-L2376 HydrophobicContact CE2-CD1 4.19Å |
| 2377 | R | 72.4 | Confident | 54.4 | Low | 104 Ų | 104 | 93.8 Ų | 93.8 | 39% | 0.392 | 48% | 0.481 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.2 | 144.6 | 177.7 | -66.3 | -171.4 | 176.4 | -132.8 | -9.9 | 112.1 | H2369 Y2370 | H2369-R2377 CarbonylContact C-O 3.55Å; H2369-R2377 VanDerWaalsContact CA-O 3.32Å; H2369-R2377 WeakPolarHBondContact CA-O 3.43Å; Y2370-R2377 HydrophobicContact CD1-CB 4.18Å; Y2370-R2377 WeakPolarHBondContact CD1-O 3.42Å; Y2370-R2377 HydrophobicContact CD2-CB 4.37Å; Y2370-R2377 HydrophobicContact CE1-CB 3.65Å; Y2370-R2377 HydrophobicContact CE2-CB 3.9Å; Y2370-R2377 VanDerWaalsContact CZ-CB 3.5Å; Y2370-R2377 PolarHBondContact N-O 2.93Å; Y2370-R2377 PolarHBondContact O-N 3.14Å |
| 2378 | C | 71.2 | Confident | 52.9 | Low | 21 Ų | 21 | 95.5 Ų | 95.5 | 14% | 0.142 | 51% | 0.505 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.9 | 133.7 | -175 | -41.4 | 0 | 0 | 0 | 0 | 111.4 | P2349 L2350 C2363 | P2349-C2378 HydrophobicContact CG-CB 3.91Å; L2350-C2378 VanDerWaalsContact CD2-SG 3.5Å; C2363-C2378 WeakPolarHBondContact CA-SG 3.28Å; C2363-C2378 HydrophobicContact CB-CB 3.68Å; C2363-C2378 WeakPolarHBondContact CB-SG 3.42Å; C2363-C2378 WeakPolarHBondContact SG-CA 3.34Å; C2363-C2378 WeakPolarHBondContact SG-CB 3.34Å; C2363-C2378 CovalentContact SG-SG 2.04Å; C2363-C2378 PolarHBondContact SG-SG 2.68Å |
| 2379 | S | 64.6 | Low | 51.8 | Low | 40 Ų | 40 | 96.9 Ų | 96.9 | 28% | 0.28 | 51% | 0.508 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.9 | 145.9 | 179.6 | 62.1 | 0 | 0 | 0 | 0 | 110.8 | T2367 S2368 | T2367-S2379 CarbonylContact C-O 3.48Å; T2367-S2379 WeakPolarHBondContact CA-O 3.34Å; T2367-S2379 WeakPolarHBondContact CB-O 3.14Å; S2368-S2379 PolarHBondContact N-O 3.12Å; S2368-S2379 PolarHBondContact O-N 2.82Å; S2368-S2379 PolarHBondContact O-OG 2.95Å; S2368-S2379 PolarHBondContact OG-O 3.38Å; S2368-S2379 PolarHBondContact OG-OG 2.85Å |
| 2380 | R | 53.8 | Low | 50.8 | Low | 227 Ų | 227 | 101.6 Ų | 101.6 | 86% | 0.857 | 54% | 0.54 | S | S | * | . | trans | -70 | 135 | 167.6 | -71.9 | -177 | 177.3 | 171.4 | 0.1 | 108.8 | L2382 | R2380-L2382 PolarHBondContact O-N 2.68Å; R2380-L2382 VanDerWaalsContact O-N 3.08Å | ||
| 2381 | P | 43.9 | Very low | 49.7 | Very low | 74 Ų | 74 | 99.3 Ų | 99.3 | 48% | 0.481 | 54% | 0.539 | S | S | . | . | trans | -62.4 | 115.2 | -176.6 | 24.1 | -33.7 | 0 | 0 | 0 | 110.5 | D2366 A2383 | D2366-P2381 WeakPolarHBondContact O-CD 3.1Å; P2381-A2383 PolarHBondContact O-N 3.49Å | ||
| 2382 | L | 39.9 | Very low | 48.8 | Very low | 148 Ų | 148 | 97.4 Ų | 97.4 | 78% | 0.775 | 55% | 0.549 | S | S | * | . | trans | -63.1 | 131 | 170 | -82.2 | 159.9 | 0 | 0 | 0 | 109 | R2380 A2384 K2385 | R2380-L2382 PolarHBondContact O-N 2.68Å; R2380-L2382 VanDerWaalsContact O-N 3.08Å; L2382-A2384 PolarHBondContact O-N 2.95Å; L2382-K2385 PolarHBondContact O-N 3.37Å; L2382-K2385 VanDerWaalsContact O-N 3.08Å | ||
| 2383 | A | 41.2 | Very low | 48.5 | Very low | 79 Ų | 79 | 96.7 Ų | 96.7 | 65% | 0.653 | 56% | 0.556 | S | S | * | * | G | 310 helix | trans | -57.6 | -14.3 | -173.8 | 0 | 0 | 0 | 0 | 0 | 114.6 | P2381 K2385 Y2386 | P2381-A2383 PolarHBondContact O-N 3.49Å; A2383-K2385 PolarHBondContact O-N 3.47Å; A2383-Y2386 PolarHBondContact O-N 3.43Å |
| 2384 | A | 35.4 | Very low | 48.1 | Very low | 46 Ų | 46 | 94.6 Ų | 94.6 | 38% | 0.38 | 55% | 0.547 | S | S | . | . | G | 310 helix | trans | -55.8 | -24 | 171.1 | 0 | 0 | 0 | 0 | 0 | 114.3 | L2382 Y2386 V2387 | L2382-A2384 PolarHBondContact O-N 2.95Å; A2384-Y2386 PolarHBondContact O-N 2.86Å; A2384-V2387 WeakPolarHBondContact O-CA 3.26Å; A2384-V2387 PolarHBondContact O-N 2.91Å |
| 2385 | K | 32.8 | Very low | 47.5 | Very low | 180 Ų | 180 | 92.1 Ų | 92.1 | 78% | 0.783 | 52% | 0.52 | S | S | * | . | G | 310 helix | trans | -61.7 | -26.5 | 177.3 | -162 | 173.5 | -176.9 | 179.6 | 0 | 112.8 | L2382 A2383 V2387 | L2382-K2385 PolarHBondContact O-N 3.37Å; L2382-K2385 VanDerWaalsContact O-N 3.08Å; A2383-K2385 PolarHBondContact O-N 3.47Å; K2385-V2387 PolarHBondContact O-N 2.82Å |
| 2386 | Y | 33.3 | Very low | 47.2 | Very low | 223 Ų | 223 | 88.8 Ų | 88.8 | 88% | 0.875 | 51% | 0.514 | S | S | * | . | G | 310 helix | trans | -74.3 | -2.9 | 171.7 | -75.9 | -77.2 | 0 | 0 | 0 | 114.5 | A2383 A2384 | A2383-Y2386 PolarHBondContact O-N 3.43Å; A2384-Y2386 PolarHBondContact O-N 2.86Å |
| 2387 | V | 40.3 | Very low | 46.4 | Very low | 107 Ų | 107 | 92.3 Ų | 92.3 | 65% | 0.648 | 53% | 0.532 | S | S | * | . | G | 310 helix | trans | -120.7 | 5.3 | -175.9 | -156.4 | 0 | 0 | 0 | 0 | 112.2 | A2384 K2385 I2389 | A2384-V2387 WeakPolarHBondContact O-CA 3.26Å; A2384-V2387 PolarHBondContact O-N 2.91Å; K2385-V2387 PolarHBondContact O-N 2.82Å; V2387-I2389 VanDerWaalsContact C-N 3.3Å; V2387-I2389 PolarHBondContact O-N 3.25Å; V2387-I2389 VanDerWaalsContact O-N 3.16Å |
| 2388 | G | 32.9 | Very low | 45.1 | Very low | 64 Ų | 64 | 90.9 Ų | 90.9 | 66% | 0.66 | 53% | 0.531 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 68.6 | 13.1 | 164.7 | 0 | 0 | 0 | 0 | 0 | 117.5 | T2390 | G2388-T2390 PolarHBondContact O-N 2.81Š|
| 2389 | I | 38.2 | Very low | 44.2 | Very low | 69 Ų | 69 | 95.2 Ų | 95.2 | 35% | 0.354 | 55% | 0.552 | S | S | . | * | trans | -87.3 | 107.2 | 176.8 | -62 | 165.2 | 0 | 0 | 0 | 109.1 | V2387 V2394 A2395 L2398 | V2387-I2389 VanDerWaalsContact C-N 3.3Å; V2387-I2389 PolarHBondContact O-N 3.25Å; V2387-I2389 VanDerWaalsContact O-N 3.16Å; I2389-V2394 HydrophobicContact CG2-CB 4.14Å; I2389-V2394 HydrophobicContact CG2-CG1 3.96Å; I2389-A2395 HydrophobicContact CG2-CB 4.14Å; I2389-L2398 HydrophobicContact CD1-CD1 3.94Å | ||
| 2390 | T | 46.5 | Very low | 43.5 | Very low | 146 Ų | 146 | 97.1 Ų | 97.1 | 90% | 0.896 | 56% | 0.562 | S | S | * | * | trans | -85.1 | -19.9 | -174.4 | 49.4 | 0 | 0 | 0 | 0 | 114.6 | G2388 | G2388-T2390 PolarHBondContact O-N 2.81Š| ||
| 2391 | S | 40.6 | Very low | 42.7 | Very low | 51 Ų | 51 | 90.9 Ų | 90.9 | 36% | 0.357 | 55% | 0.545 | S | S | . | . | trans | -92.2 | 117.9 | 175.9 | 175.1 | 0 | 0 | 0 | 0 | 111.8 | A2393 V2394 A2395 | S2391-A2393 PolarHBondContact O-N 3.48Å; S2391-V2394 PolarHBondContact O-N 2.86Å; S2391-V2394 PolarHBondContact OG-N 2.92Å; S2391-A2395 PolarHBondContact O-N 3.46Å | ||
| 2392 | G | 42 | Very low | 42.6 | Very low | 58 Ų | 58 | 93.1 Ų | 93.1 | 60% | 0.598 | 55% | 0.552 | S | S | * | * | H | α-helix | trans | -60.4 | -31.5 | 175.9 | 0 | 0 | 0 | 0 | 0 | 113.5 | A2396 | G2392-A2396 WeakPolarHBondContact O-CB 3.43Å; G2392-A2396 PolarHBondContact O-N 3.05Å |
| 2393 | A | 48.1 | Very low | 42.8 | Very low | 61 Ų | 61 | 89.7 Ų | 89.7 | 50% | 0.504 | 55% | 0.545 | S | S | . | . | H | α-helix | trans | -66.5 | -46.9 | 174 | 0 | 0 | 0 | 0 | 0 | 111.4 | S2391 A2395 A2396 I2397 | S2391-A2393 PolarHBondContact O-N 3.48Å; A2393-A2395 VanDerWaalsContact C-N 3.33Å; A2393-A2395 PolarHBondContact O-N 3.46Å; A2393-A2396 PolarHBondContact O-N 3.35Å; A2393-I2397 WeakPolarHBondContact O-CB 2.79Å; A2393-I2397 WeakPolarHBondContact O-CD1 3.05Å; A2393-I2397 VanDerWaalsContact O-CG1 3.24Å; A2393-I2397 WeakPolarHBondContact O-CG1 3.06Å; A2393-I2397 PolarHBondContact O-N 2.98Å |
| 2394 | V | 44.1 | Very low | 42.4 | Very low | 69 Ų | 69 | 93.2 Ų | 93.2 | 42% | 0.418 | 55% | 0.552 | S | S | . | * | H | α-helix | trans | -62.5 | -41.1 | 177.2 | 176 | 0 | 0 | 0 | 0 | 111.1 | I2389 S2391 I2397 L2398 | I2389-V2394 HydrophobicContact CG2-CB 4.14Å; I2389-V2394 HydrophobicContact CG2-CG1 3.96Å; S2391-V2394 PolarHBondContact O-N 2.86Å; S2391-V2394 PolarHBondContact OG-N 2.92Å; V2394-I2397 PolarHBondContact O-N 2.9Å; V2394-L2398 HydrophobicContact CG1-CD1 4.09Å; V2394-L2398 WeakPolarHBondContact O-CB 3.42Å; V2394-L2398 PolarHBondContact O-N 2.72Å |
| 2395 | A | 46.9 | Very low | 42.6 | Very low | 19 Ų | 19 | 97.8 Ų | 97.8 | 16% | 0.157 | 57% | 0.569 | C | S | . | * | H | α-helix | trans | -61.1 | -45.9 | 174.1 | 0 | 0 | 0 | 0 | 0 | 112.2 | I2389 S2391 A2393 L2398 I2399 | I2389-A2395 HydrophobicContact CG2-CB 4.14Å; S2391-A2395 PolarHBondContact O-N 3.46Å; A2393-A2395 VanDerWaalsContact C-N 3.33Å; A2393-A2395 PolarHBondContact O-N 3.46Å; A2395-L2398 PolarHBondContact O-N 3.29Å; A2395-I2399 WeakPolarHBondContact O-CB 3.5Å; A2395-I2399 WeakPolarHBondContact O-CD1 3.35Å; A2395-I2399 WeakPolarHBondContact O-CG1 3.46Å; A2395-I2399 PolarHBondContact O-N 3.34Å |
| 2396 | A | 53 | Low | 42.4 | Very low | 54 Ų | 54 | 92.1 Ų | 92.1 | 45% | 0.446 | 56% | 0.561 | S | S | . | * | H | α-helix | trans | -63.9 | -40.4 | 177.5 | 0 | 0 | 0 | 0 | 0 | 112.8 | G2392 A2393 T2400 | G2392-A2396 WeakPolarHBondContact O-CB 3.43Å; G2392-A2396 PolarHBondContact O-N 3.05Å; A2393-A2396 PolarHBondContact O-N 3.35Å; A2396-T2400 WeakPolarHBondContact O-CB 3.46Å; A2396-T2400 WeakPolarHBondContact O-CG2 3.16Å; A2396-T2400 PolarHBondContact O-N 2.9Å; A2396-T2400 PolarHBondContact O-OG1 3.25Å |
| 2397 | I | 53 | Low | 42.4 | Very low | 99 Ų | 99 | 90.8 Ų | 90.8 | 51% | 0.508 | 56% | 0.56 | S | S | . | * | H | α-helix | trans | -63.7 | -47.2 | 176.2 | -69.5 | 163 | 0 | 0 | 0 | 110.8 | A2393 V2394 T2400 L2401 | A2393-I2397 WeakPolarHBondContact O-CB 2.79Å; A2393-I2397 WeakPolarHBondContact O-CD1 3.05Å; A2393-I2397 VanDerWaalsContact O-CG1 3.24Å; A2393-I2397 WeakPolarHBondContact O-CG1 3.06Å; A2393-I2397 PolarHBondContact O-N 2.98Å; V2394-I2397 PolarHBondContact O-N 2.9Å; I2397-T2400 PolarHBondContact O-N 3.38Å; I2397-T2400 PolarHBondContact O-OG1 2.8Å; I2397-L2401 HydrophobicContact CG2-CD1 3.86Å; I2397-L2401 WeakPolarHBondContact O-CB 3.33Å; I2397-L2401 WeakPolarHBondContact O-CG 3.23Å; I2397-L2401 PolarHBondContact O-N 2.93Å |
| 2398 | L | 44.6 | Very low | 41.9 | Very low | 73 Ų | 73 | 93.3 Ų | 93.3 | 38% | 0.382 | 57% | 0.57 | S | S | . | * | H | α-helix | trans | -64.8 | -42.9 | 177.2 | -89.9 | 161.6 | 0 | 0 | 0 | 112.6 | I2389 V2394 A2395 T2400 L2401 L2402 | I2389-L2398 HydrophobicContact CD1-CD1 3.94Å; V2394-L2398 HydrophobicContact CG1-CD1 4.09Å; V2394-L2398 WeakPolarHBondContact O-CB 3.42Å; V2394-L2398 PolarHBondContact O-N 2.72Å; A2395-L2398 PolarHBondContact O-N 3.29Å; L2398-T2400 PolarHBondContact O-N 2.87Å; L2398-L2401 PolarHBondContact O-N 2.84Å; L2398-L2402 WeakPolarHBondContact O-CB 3.21Å; L2398-L2402 WeakPolarHBondContact O-CD1 3.17Å; L2398-L2402 VanDerWaalsContact O-CG 3.23Å; L2398-L2402 WeakPolarHBondContact O-CG 3.37Å; L2398-L2402 PolarHBondContact O-N 3.27Å |
| 2399 | I | 53.9 | Low | 41.6 | Very low | 112 Ų | 112 | 96.9 Ų | 96.9 | 57% | 0.574 | 58% | 0.579 | S | S | * | * | H | α-helix | trans | -64.4 | -41 | 179.1 | -70.7 | 166.5 | 0 | 0 | 0 | 111 | A2395 A2403 | A2395-I2399 WeakPolarHBondContact O-CB 3.5Å; A2395-I2399 WeakPolarHBondContact O-CD1 3.35Å; A2395-I2399 WeakPolarHBondContact O-CG1 3.46Å; A2395-I2399 PolarHBondContact O-N 3.34Å; I2399-A2403 WeakPolarHBondContact O-CB 2.9Å; I2399-A2403 PolarHBondContact O-N 3.21Å |
| 2400 | T | 49.2 | Very low | 41.3 | Very low | 81 Ų | 81 | 100.2 Ų | 100.2 | 50% | 0.497 | 60% | 0.597 | S | S | . | * | H | α-helix | trans | -70 | -41.1 | 177.8 | 48.8 | 0 | 0 | 0 | 0 | 112.8 | A2396 I2397 L2398 A2403 L2404 | A2396-T2400 WeakPolarHBondContact O-CB 3.46Å; A2396-T2400 WeakPolarHBondContact O-CG2 3.16Å; A2396-T2400 PolarHBondContact O-N 2.9Å; A2396-T2400 PolarHBondContact O-OG1 3.25Å; I2397-T2400 PolarHBondContact O-N 3.38Å; I2397-T2400 PolarHBondContact O-OG1 2.8Å; L2398-T2400 PolarHBondContact O-N 2.87Å; T2400-A2403 PolarHBondContact O-N 3.41Å; T2400-L2404 PolarHBondContact O-N 3.1Å; T2400-L2404 VanDerWaalsContact O-N 3.15Å |
| 2401 | L | 36.9 | Very low | 40.7 | Very low | 95 Ų | 95 | 102.1 Ų | 102.1 | 50% | 0.497 | 60% | 0.596 | S | S | . | * | H | α-helix | trans | -60 | -47.8 | 173.2 | -77.5 | 166.5 | 0 | 0 | 0 | 112.2 | I2397 L2398 L2404 I2405 | I2397-L2401 HydrophobicContact CG2-CD1 3.86Å; I2397-L2401 WeakPolarHBondContact O-CB 3.33Å; I2397-L2401 WeakPolarHBondContact O-CG 3.23Å; I2397-L2401 PolarHBondContact O-N 2.93Å; L2398-L2401 PolarHBondContact O-N 2.84Å; L2401-L2404 PolarHBondContact O-N 3.35Å; L2401-I2405 PolarHBondContact O-N 2.8Å |
| 2402 | L | 41.4 | Very low | 40.6 | Very low | 122 Ų | 122 | 104.2 Ų | 104.2 | 64% | 0.639 | 61% | 0.606 | S | S | * | * | H | α-helix | trans | -67.6 | -37.5 | 179.9 | -69.8 | 168.4 | 0 | 0 | 0 | 112.1 | L2398 L2404 G2406 | L2398-L2402 WeakPolarHBondContact O-CB 3.21Å; L2398-L2402 WeakPolarHBondContact O-CD1 3.17Å; L2398-L2402 VanDerWaalsContact O-CG 3.23Å; L2398-L2402 WeakPolarHBondContact O-CG 3.37Å; L2398-L2402 PolarHBondContact O-N 3.27Å; L2402-L2404 VanDerWaalsContact C-N 3.33Å; L2402-L2404 PolarHBondContact O-N 3.04Å; L2402-G2406 PolarHBondContact O-N 2.92Å; L2402-G2406 VanDerWaalsContact O-N 3.09Å |
| 2403 | A | 44 | Very low | 40.2 | Very low | 76 Ų | 76 | 106.6 Ų | 106.6 | 63% | 0.628 | 61% | 0.611 | S | S | * | * | H | α-helix | trans | -65.9 | -32.2 | 176.8 | 0 | 0 | 0 | 0 | 0 | 113.4 | I2399 T2400 | I2399-A2403 WeakPolarHBondContact O-CB 2.9Å; I2399-A2403 PolarHBondContact O-N 3.21Å; T2400-A2403 PolarHBondContact O-N 3.41Å |
| 2404 | L | 34.3 | Very low | 40.3 | Very low | 153 Ų | 153 | 110 Ų | 110 | 80% | 0.801 | 62% | 0.618 | S | S | * | * | H | α-helix | trans | -82.3 | -31.6 | -178.7 | -79.8 | 165.6 | 0 | 0 | 0 | 113.9 | T2400 L2401 L2402 | T2400-L2404 PolarHBondContact O-N 3.1Å; T2400-L2404 VanDerWaalsContact O-N 3.15Å; L2401-L2404 PolarHBondContact O-N 3.35Å; L2402-L2404 VanDerWaalsContact C-N 3.33Å; L2402-L2404 PolarHBondContact O-N 3.04Å |
| 2405 | I | 37.9 | Very low | 40 | Very low | 141 Ų | 141 | 112.5 Ų | 112.5 | 72% | 0.723 | 63% | 0.634 | S | S | * | * | H | α-helix | trans | -87.3 | -24.3 | 179.1 | -61 | 172.3 | 0 | 0 | 0 | 111.3 | L2401 K2407 | L2401-I2405 PolarHBondContact O-N 2.8Å; I2405-K2407 VanDerWaalsContact C-N 3.31Å; I2405-K2407 PolarHBondContact O-N 3.35Å |
| 2406 | G | 29.3 | Very low | 39.5 | Very low | 61 Ų | 61 | 117.8 Ų | 117.8 | 63% | 0.629 | 65% | 0.653 | S | S | * | * | S | Bend | trans | -72.8 | 14 | -169.6 | 0 | 0 | 0 | 0 | 0 | 119.1 | L2402 | L2402-G2406 PolarHBondContact O-N 2.92Å; L2402-G2406 VanDerWaalsContact O-N 3.09Å |
| 2407 | K | 32.8 | Very low | 39.1 | Very low | 195 Ų | 195 | 120 Ų | 120 | 85% | 0.848 | 66% | 0.657 | S | S | * | * | S | Bend | trans | -136.6 | 105.8 | 175.2 | -79.5 | -173.3 | 177.9 | 169.5 | 0 | 114.6 | I2405 | I2405-K2407 VanDerWaalsContact C-N 3.31Å; I2405-K2407 PolarHBondContact O-N 3.35Å |
| 2408 | N | 30.1 | Very low | 38.7 | Very low | 161 Ų | 161 | 123.3 Ų | 123.3 | 86% | 0.861 | 66% | 0.664 | S | S | * | * | trans | -30.9 | 134.5 | 169.7 | -58.1 | -37.2 | 0 | 0 | 0 | 116.1 | ||||
| 2409 | V | 27.2 | Very low | 38.8 | Very low | 138 Ų | 138 | 122.6 Ų | 122.6 | 84% | 0.836 | 67% | 0.669 | S | S | * | * | 178.4 | 146.3 | 113.8 | 148.4 | 0 | 0 | 0 | 0 | 110.6 | |||||
| 2410 | N | 32.1 | Very low | 38.8 | Very low | 139 Ų | 139 | 122.9 Ų | 122.9 | 74% | 0.743 | 67% | 0.67 | S | S | * | * | trans | -65.5 | 144.2 | -175.8 | -61 | -36.4 | 0 | 0 | 0 | 114.4 | ||||
| 2411 | H | 34.5 | Very low | 39.4 | Very low | 186 Ų | 186 | 122.9 Ų | 122.9 | 86% | 0.861 | 67% | 0.67 | S | S | * | * | trans | 54.6 | 104.8 | 162.5 | -59.3 | -61.7 | 0 | 0 | 0 | 119 | ||||
| 2412 | V | 37.7 | Very low | 40.3 | Very low | 96 Ų | 96 | 125.1 Ų | 125.1 | 58% | 0.582 | 68% | 0.676 | S | S | * | * | trans | -138.8 | 139 | 158.4 | -170.2 | 0 | 0 | 0 | 0 | 110.7 | K2416 | V2412-K2416 HydrophobicContact CG1-CD 3.78Å; V2412-K2416 HydrophobicContact CG1-CG 4.27Å | ||
| 2413 | P | 33.5 | Very low | 41 | Very low | 108 Ų | 108 | 125.1 Ų | 125.1 | 70% | 0.701 | 68% | 0.676 | S | S | * | * | trans | -91.8 | -178.9 | -171.1 | -8.7 | 29.6 | 0 | 0 | 0 | 116.8 | T2415 K2416 | P2413-T2415 VanDerWaalsContact C-N 3.29Å; P2413-T2415 PolarHBondContact O-N 3.17Å; P2413-K2416 PolarHBondContact O-N 3.08Å | ||
| 2414 | M | 51 | Low | 41.6 | Very low | 132 Ų | 132 | 128.2 Ų | 128.2 | 65% | 0.65 | 68% | 0.676 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -48.2 | -12.4 | -164.4 | -76.4 | -70.5 | -75.8 | 0 | 0 | 120.5 | ||
| 2415 | T | 37 | Very low | 42.7 | Very low | 121 Ų | 121 | 126 Ų | 126 | 74% | 0.742 | 66% | 0.664 | S | S | * | * | H | α-helix | trans | -76.9 | -26.9 | 179.8 | 49.9 | 0 | 0 | 0 | 0 | 113.5 | P2413 L2417 | P2413-T2415 VanDerWaalsContact C-N 3.29Å; P2413-T2415 PolarHBondContact O-N 3.17Å; T2415-L2417 VanDerWaalsContact C-N 3.32Å; T2415-L2417 PolarHBondContact O-N 3.38Å |
| 2416 | K | 37.1 | Very low | 44 | Very low | 131 Ų | 131 | 121.8 Ų | 121.8 | 57% | 0.57 | 65% | 0.645 | S | S | * | * | H | α-helix | trans | -73.8 | -19.7 | 179.4 | -69.2 | -164.1 | 178.8 | -177.7 | 0 | 114.2 | V2412 P2413 Y2418 A2419 I2420 | V2412-K2416 HydrophobicContact CG1-CD 3.78Å; V2412-K2416 HydrophobicContact CG1-CG 4.27Å; P2413-K2416 PolarHBondContact O-N 3.08Å; K2416-Y2418 VanDerWaalsContact C-N 3.34Å; K2416-Y2418 PolarHBondContact O-N 2.82Å; K2416-A2419 PolarHBondContact O-N 2.92Å; K2416-I2420 PolarHBondContact O-N 2.74Å |
| 2417 | L | 43.9 | Very low | 45.2 | Very low | 101 Ų | 101 | 123.6 Ų | 123.6 | 53% | 0.529 | 64% | 0.64 | S | S | . | * | H | α-helix | trans | -61.9 | -43.4 | -179.8 | -160.8 | 74.1 | 0 | 0 | 0 | 111.3 | T2415 A2419 I2420 V2421 | T2415-L2417 VanDerWaalsContact C-N 3.32Å; T2415-L2417 PolarHBondContact O-N 3.38Å; L2417-A2419 VanDerWaalsContact C-N 3.3Å; L2417-A2419 PolarHBondContact O-N 3.44Å; L2417-I2420 PolarHBondContact O-N 2.71Å; L2417-V2421 PolarHBondContact O-N 2.8Å; L2417-V2421 VanDerWaalsContact O-N 3.15Å |
| 2418 | Y | 44.4 | Very low | 46.7 | Very low | 167 Ų | 167 | 117.4 Ų | 117.4 | 66% | 0.655 | 62% | 0.618 | S | S | * | * | H | α-helix | trans | -62.9 | -32.8 | 178.6 | -64.1 | -77.7 | 0 | 0 | 0 | 113.4 | K2416 F2422 | K2416-Y2418 VanDerWaalsContact C-N 3.34Å; K2416-Y2418 PolarHBondContact O-N 2.82Å; Y2418-F2422 WeakPolarHBondContact O-CB 3.24Å; Y2418-F2422 PolarHBondContact O-N 2.83Å |
| 2419 | A | 46.6 | Very low | 48 | Very low | 59 Ų | 59 | 115.2 Ų | 115.2 | 49% | 0.488 | 61% | 0.606 | S | S | . | * | H | α-helix | trans | -69.6 | -34.8 | 177.1 | 0 | 0 | 0 | 0 | 0 | 112.6 | K2416 L2417 L2423 | K2416-A2419 PolarHBondContact O-N 2.92Å; L2417-A2419 VanDerWaalsContact C-N 3.3Å; L2417-A2419 PolarHBondContact O-N 3.44Å; A2419-L2423 PolarHBondContact O-N 2.91Å; A2419-L2423 VanDerWaalsContact O-N 3.1Å |
| 2420 | I | 54 | Low | 49.9 | Very low | 117 Ų | 117 | 113.6 Ų | 113.6 | 60% | 0.6 | 59% | 0.591 | S | S | * | * | H | α-helix | trans | -70.6 | -43.8 | 176.7 | -62.4 | 171 | 0 | 0 | 0 | 110.1 | K2416 L2417 F2422 L2423 F2424 | K2416-I2420 PolarHBondContact O-N 2.74Å; L2417-I2420 PolarHBondContact O-N 2.71Å; I2420-F2422 VanDerWaalsContact C-N 3.34Å; I2420-F2422 PolarHBondContact O-N 2.79Å; I2420-L2423 PolarHBondContact O-N 2.87Å; I2420-F2424 PolarHBondContact O-N 2.68Å |
| 2421 | V | 61 | Low | 50.8 | Low | 81 Ų | 81 | 111.9 Ų | 111.9 | 49% | 0.491 | 58% | 0.582 | S | S | . | * | H | α-helix | trans | -61.2 | -41.5 | 175.6 | 175 | 0 | 0 | 0 | 0 | 111.5 | L2417 F2424 L2425 | L2417-V2421 PolarHBondContact O-N 2.8Å; L2417-V2421 VanDerWaalsContact O-N 3.15Å; V2421-F2424 PolarHBondContact O-N 2.67Å; V2421-L2425 HydrophobicContact CG1-CD1 4.24Å; V2421-L2425 PolarHBondContact O-N 3.21Å |
| 2422 | F | 56.3 | Low | 51.6 | Low | 143 Ų | 143 | 106 Ų | 106 | 63% | 0.627 | 56% | 0.559 | S | S | * | * | H | α-helix | trans | -64.3 | -43.1 | 176.5 | -171 | -97.4 | 0 | 0 | 0 | 112.4 | Y2418 I2420 F2424 L2425 V2426 | Y2418-F2422 WeakPolarHBondContact O-CB 3.24Å; Y2418-F2422 PolarHBondContact O-N 2.83Å; I2420-F2422 VanDerWaalsContact C-N 3.34Å; I2420-F2422 PolarHBondContact O-N 2.79Å; F2422-F2424 VanDerWaalsContact C-N 3.31Å; F2422-F2424 PolarHBondContact O-N 3.16Å; F2422-L2425 PolarHBondContact O-N 2.86Å; F2422-V2426 HydrophobicContact CD1-CG2 4.13Å; F2422-V2426 HydrophobicContact CE1-CG2 3.78Å; F2422-V2426 HydrophobicContact CZ-CG2 4.15Å; F2422-V2426 WeakPolarHBondContact O-CG2 3.21Å; F2422-V2426 PolarHBondContact O-N 3.44Å |
| 2423 | L | 57.3 | Low | 52.3 | Low | 121 Ų | 121 | 104.7 Ų | 104.7 | 63% | 0.634 | 55% | 0.551 | S | S | * | * | H | α-helix | trans | -62.2 | -37.1 | 174.1 | -94.4 | 161.6 | 0 | 0 | 0 | 112.7 | A2419 I2420 V2426 L2427 | A2419-L2423 PolarHBondContact O-N 2.91Å; A2419-L2423 VanDerWaalsContact O-N 3.1Å; I2420-L2423 PolarHBondContact O-N 2.87Å; L2423-V2426 PolarHBondContact O-N 3.17Å; L2423-L2427 WeakPolarHBondContact O-CB 3.35Å; L2423-L2427 PolarHBondContact O-N 3.35Å |
| 2424 | F | 54.6 | Low | 52.8 | Low | 141 Ų | 141 | 106.4 Ų | 106.4 | 62% | 0.618 | 54% | 0.544 | S | S | * | . | H | α-helix | trans | -66.9 | -43.6 | 176.1 | -154.9 | -88 | 0 | 0 | 0 | 111.7 | I2420 V2421 F2422 V2426 L2427 V2428 | I2420-F2424 PolarHBondContact O-N 2.68Å; V2421-F2424 PolarHBondContact O-N 2.67Å; F2422-F2424 VanDerWaalsContact C-N 3.31Å; F2422-F2424 PolarHBondContact O-N 3.16Å; F2424-V2426 PolarHBondContact O-N 3.09Å; F2424-L2427 PolarHBondContact O-N 3.29Å; F2424-V2428 HydrophobicContact CD1-CG2 4.09Å; F2424-V2428 HydrophobicContact CE1-CG2 4.09Å; F2424-V2428 WeakPolarHBondContact O-CG2 3.41Å; F2424-V2428 PolarHBondContact O-N 3.45Å |
| 2425 | L | 58.3 | Low | 52.5 | Low | 106 Ų | 106 | 103.7 Ų | 103.7 | 56% | 0.555 | 54% | 0.538 | S | S | * | . | H | α-helix | trans | -61.8 | -40.7 | 173.9 | -77.1 | 167.3 | 0 | 0 | 0 | 112.5 | V2421 F2422 V2428 L2429 | V2421-L2425 HydrophobicContact CG1-CD1 4.24Å; V2421-L2425 PolarHBondContact O-N 3.21Å; F2422-L2425 PolarHBondContact O-N 2.86Å; L2425-V2428 PolarHBondContact O-N 2.93Å; L2425-L2429 WeakPolarHBondContact O-CB 3.48Å; L2425-L2429 PolarHBondContact O-N 3.07Å |
| 2426 | V | 65.6 | Low | 52.8 | Low | 53 Ų | 53 | 107.1 Ų | 107.1 | 32% | 0.321 | 54% | 0.538 | S | S | . | . | H | α-helix | trans | -64.9 | -38.4 | 174.1 | 170.5 | 0 | 0 | 0 | 0 | 111.4 | F2422 L2423 F2424 L2429 I2430 | F2422-V2426 HydrophobicContact CD1-CG2 4.13Å; F2422-V2426 HydrophobicContact CE1-CG2 3.78Å; F2422-V2426 HydrophobicContact CZ-CG2 4.15Å; F2422-V2426 WeakPolarHBondContact O-CG2 3.21Å; F2422-V2426 PolarHBondContact O-N 3.44Å; L2423-V2426 PolarHBondContact O-N 3.17Å; F2424-V2426 PolarHBondContact O-N 3.09Å; V2426-L2429 WeakPolarHBondContact O-CB 3.5Å; V2426-L2429 PolarHBondContact O-N 3.44Å; V2426-I2430 HydrophobicContact CG1-CD1 3.86Å; V2426-I2430 HydrophobicContact CG1-CG1 4.46Å; V2426-I2430 VanDerWaalsContact O-CG1 3.31Å; V2426-I2430 WeakPolarHBondContact O-CG1 3.32Å; V2426-I2430 PolarHBondContact O-N 2.96Å |
| 2427 | L | 54.6 | Low | 53 | Low | 100 Ų | 100 | 110.9 Ų | 110.9 | 52% | 0.524 | 55% | 0.548 | S | S | . | . | H | α-helix | trans | -69.9 | -37.2 | 177.1 | -164.1 | 116.9 | 0 | 0 | 0 | 112.4 | L2423 F2424 I2430 L2431 | L2423-L2427 WeakPolarHBondContact O-CB 3.35Å; L2423-L2427 PolarHBondContact O-N 3.35Å; F2424-L2427 PolarHBondContact O-N 3.29Å; L2427-I2430 PolarHBondContact O-N 2.77Å; L2427-L2431 HydrophobicContact CD2-CD1 3.95Å; L2427-L2431 WeakPolarHBondContact O-CB 3.31Å; L2427-L2431 PolarHBondContact O-N 3.23Å |
| 2428 | V | 63.5 | Low | 52.2 | Low | 65 Ų | 65 | 115.1 Ų | 115.1 | 39% | 0.394 | 56% | 0.557 | S | S | . | * | H | α-helix | trans | -62.2 | -43.5 | 169.6 | 171.6 | 0 | 0 | 0 | 0 | 110.4 | F2424 L2425 I2430 L2431 V2432 | F2424-V2428 HydrophobicContact CD1-CG2 4.09Å; F2424-V2428 HydrophobicContact CE1-CG2 4.09Å; F2424-V2428 WeakPolarHBondContact O-CG2 3.41Å; F2424-V2428 PolarHBondContact O-N 3.45Å; L2425-V2428 PolarHBondContact O-N 2.93Å; V2428-I2430 PolarHBondContact O-N 3.21Å; V2428-L2431 PolarHBondContact O-N 3.18Å; V2428-V2432 HydrophobicContact CG1-CG2 4.35Å; V2428-V2432 WeakPolarHBondContact O-CB 3.45Å; V2428-V2432 VanDerWaalsContact O-CG2 3.29Å; V2428-V2432 WeakPolarHBondContact O-CG2 3.46Å; V2428-V2432 PolarHBondContact O-N 3.41Å |
| 2429 | L | 58.6 | Low | 51.6 | Low | 114 Ų | 114 | 117.3 Ų | 117.3 | 60% | 0.597 | 56% | 0.564 | S | S | * | * | H | α-helix | trans | -61.3 | -41.3 | 174.4 | -107.5 | 162.2 | 0 | 0 | 0 | 112.5 | L2425 V2426 V2432 V2433 | L2425-L2429 WeakPolarHBondContact O-CB 3.48Å; L2425-L2429 PolarHBondContact O-N 3.07Å; V2426-L2429 WeakPolarHBondContact O-CB 3.5Å; V2426-L2429 PolarHBondContact O-N 3.44Å; L2429-V2432 PolarHBondContact O-N 2.98Å; L2429-V2433 WeakPolarHBondContact O-CB 3.46Å; L2429-V2433 VanDerWaalsContact O-CG2 3.25Å; L2429-V2433 WeakPolarHBondContact O-CG2 3.2Å; L2429-V2433 PolarHBondContact O-N 2.66Å |
| 2430 | I | 66.8 | Low | 50.5 | Low | 105 Ų | 105 | 124 Ų | 124 | 54% | 0.538 | 58% | 0.577 | S | S | . | * | H | α-helix | trans | -67.3 | -39.8 | 176 | -70.5 | 167.1 | 0 | 0 | 0 | 111 | V2426 L2427 V2428 V2433 Y2434 | V2426-I2430 HydrophobicContact CG1-CD1 3.86Å; V2426-I2430 HydrophobicContact CG1-CG1 4.46Å; V2426-I2430 VanDerWaalsContact O-CG1 3.31Å; V2426-I2430 WeakPolarHBondContact O-CG1 3.32Å; V2426-I2430 PolarHBondContact O-N 2.96Å; L2427-I2430 PolarHBondContact O-N 2.77Å; V2428-I2430 PolarHBondContact O-N 3.21Å; I2430-V2433 PolarHBondContact O-N 2.77Å; I2430-Y2434 WeakPolarHBondContact O-CB 3.32Å; I2430-Y2434 PolarHBondContact O-N 2.66Å |
| 2431 | L | 49.5 | Very low | 49.2 | Very low | 103 Ų | 103 | 124 Ų | 124 | 54% | 0.539 | 58% | 0.584 | S | S | . | * | H | α-helix | trans | -65.8 | -40.8 | 174.3 | -82.3 | 165.8 | 0 | 0 | 0 | 112.2 | L2427 V2428 Y2434 S2435 | L2427-L2431 HydrophobicContact CD2-CD1 3.95Å; L2427-L2431 WeakPolarHBondContact O-CB 3.31Å; L2427-L2431 PolarHBondContact O-N 3.23Å; V2428-L2431 PolarHBondContact O-N 3.18Å; L2431-Y2434 PolarHBondContact O-N 2.98Å; L2431-S2435 WeakPolarHBondContact O-CB 3.45Å; L2431-S2435 PolarHBondContact O-N 2.89Å; L2431-S2435 PolarHBondContact O-OG 2.64Å; L2431-S2435 VanDerWaalsContact O-OG 3.11Å |
| 2432 | V | 53.1 | Low | 47.6 | Very low | 62 Ų | 62 | 126.4 Ų | 126.4 | 38% | 0.376 | 60% | 0.599 | S | S | . | * | H | α-helix | trans | -66.2 | -37.2 | 174.4 | 167.8 | 0 | 0 | 0 | 0 | 111.6 | V2428 L2429 S2435 R2436 | V2428-V2432 HydrophobicContact CG1-CG2 4.35Å; V2428-V2432 WeakPolarHBondContact O-CB 3.45Å; V2428-V2432 VanDerWaalsContact O-CG2 3.29Å; V2428-V2432 WeakPolarHBondContact O-CG2 3.46Å; V2428-V2432 PolarHBondContact O-N 3.41Å; L2429-V2432 PolarHBondContact O-N 2.98Å; V2432-S2435 PolarHBondContact O-OG 2.73Å; V2432-R2436 WeakPolarHBondContact O-CB 3.29Å; V2432-R2436 WeakPolarHBondContact O-CG 3.46Å; V2432-R2436 PolarHBondContact O-N 2.71Å |
| 2433 | V | 52.7 | Low | 46.1 | Very low | 69 Ų | 69 | 122.2 Ų | 122.2 | 42% | 0.418 | 59% | 0.586 | S | S | . | * | H | α-helix | trans | -72.1 | -36.1 | 173.8 | 168.1 | 0 | 0 | 0 | 0 | 111.4 | L2429 I2430 R2437 | L2429-V2433 WeakPolarHBondContact O-CB 3.46Å; L2429-V2433 VanDerWaalsContact O-CG2 3.25Å; L2429-V2433 WeakPolarHBondContact O-CG2 3.2Å; L2429-V2433 PolarHBondContact O-N 2.66Å; I2430-V2433 PolarHBondContact O-N 2.77Å; V2433-R2437 VanDerWaalsContact O-CB 3.24Å; V2433-R2437 WeakPolarHBondContact O-CB 3.13Å; V2433-R2437 WeakPolarHBondContact O-CG 3.49Å; V2433-R2437 PolarHBondContact O-N 3.05Å |
| 2434 | Y | 41.9 | Very low | 44.6 | Very low | 144 Ų | 144 | 123.7 Ų | 123.7 | 57% | 0.565 | 59% | 0.594 | S | S | * | * | H | α-helix | trans | -72.2 | -42.4 | 178.7 | -171.9 | -99.8 | 0 | 0 | 0 | 112 | I2430 L2431 R2437 R2438 | I2430-Y2434 WeakPolarHBondContact O-CB 3.32Å; I2430-Y2434 PolarHBondContact O-N 2.66Å; L2431-Y2434 PolarHBondContact O-N 2.98Å; Y2434-R2437 CarbonylContact O-C 3.54Å; Y2434-R2437 PolarHBondContact O-N 3.03Å; Y2434-R2438 PolarHBondContact O-N 3.37Å |
| 2435 | S | 46.6 | Very low | 43.3 | Very low | 75 Ų | 75 | 123.9 Ų | 123.9 | 52% | 0.524 | 61% | 0.606 | S | S | . | * | H | α-helix | trans | -66.7 | -41 | 172.7 | 65 | 0 | 0 | 0 | 0 | 111.7 | L2431 V2432 R2437 R2438 R2439 | L2431-S2435 WeakPolarHBondContact O-CB 3.45Å; L2431-S2435 PolarHBondContact O-N 2.89Å; L2431-S2435 PolarHBondContact O-OG 2.64Å; L2431-S2435 VanDerWaalsContact O-OG 3.11Å; V2432-S2435 PolarHBondContact O-OG 2.73Å; S2435-R2437 VanDerWaalsContact C-N 3.27Å; S2435-R2437 PolarHBondContact O-N 3Å; S2435-R2438 CarbonylContact O-C 3.43Å; S2435-R2438 PolarHBondContact O-N 3.36Å; S2435-R2439 PolarHBondContact O-N 3.38Å |
| 2436 | R | 42.9 | Very low | 41.9 | Very low | 193 Ų | 193 | 121 Ų | 121 | 73% | 0.728 | 60% | 0.602 | S | S | * | * | H | α-helix | trans | -64.7 | -25.3 | 171.4 | -76.2 | 179.1 | 162.7 | -169.2 | -7.4 | 113.8 | V2432 | V2432-R2436 WeakPolarHBondContact O-CB 3.29Å; V2432-R2436 WeakPolarHBondContact O-CG 3.46Å; V2432-R2436 PolarHBondContact O-N 2.71Å |
| 2437 | R | 41.4 | Very low | 40.6 | Very low | 209 Ų | 209 | 121 Ų | 121 | 79% | 0.789 | 60% | 0.603 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -95.6 | 2.5 | 174.5 | -75.2 | -175.2 | 165.9 | -165.7 | -6 | 114.7 | V2433 Y2434 S2435 | V2433-R2437 VanDerWaalsContact O-CB 3.24Å; V2433-R2437 WeakPolarHBondContact O-CB 3.13Å; V2433-R2437 WeakPolarHBondContact O-CG 3.49Å; V2433-R2437 PolarHBondContact O-N 3.05Å; Y2434-R2437 CarbonylContact O-C 3.54Å; Y2434-R2437 PolarHBondContact O-N 3.03Å; S2435-R2437 VanDerWaalsContact C-N 3.27Å; S2435-R2437 PolarHBondContact O-N 3Å |
| 2438 | R | 27.6 | Very low | 39.4 | Very low | 191 Ų | 191 | 119.7 Ų | 119.7 | 72% | 0.721 | 60% | 0.596 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -119.7 | 33 | 163.3 | -94 | -166 | 170.8 | -148.3 | -2.3 | 112.5 | Y2434 S2435 R2440 | Y2434-R2438 PolarHBondContact O-N 3.37Å; S2435-R2438 CarbonylContact O-C 3.43Å; S2435-R2438 PolarHBondContact O-N 3.36Å; R2438-R2440 PolarHBondContact O-N 2.83Å |
| 2439 | R | 30.1 | Very low | 37.9 | Very low | 213 Ų | 213 | 123.5 Ų | 123.5 | 80% | 0.804 | 62% | 0.615 | S | S | * | * | trans | -68.3 | 114.1 | 135.9 | -72.3 | -175.1 | 170.6 | -169.3 | -6.7 | 106.7 | S2435 | S2435-R2439 PolarHBondContact O-N 3.38Š| ||
| 2440 | R | 24.4 | Very low | 36.6 | Very low | 200 Ų | 200 | 120.6 Ų | 120.6 | 76% | 0.755 | 60% | 0.6 | S | S | * | * | P | Polyproline II helix | trans | -61 | 141.7 | 148.1 | -74.7 | -176.5 | 175.8 | 163.2 | 2 | 105.6 | D2373 R2438 | D2373-R2440 IonicContact OD1-NH2 3.33Å; D2373-R2440 PolarHBondContact OD1-NH2 2.8Å; R2438-R2440 PolarHBondContact O-N 2.83Å |
| 2441 | P | 27.2 | Very low | 34.7 | Very low | 115 Ų | 115 | 117.6 Ų | 117.6 | 75% | 0.747 | 58% | 0.584 | S | S | * | * | P | Polyproline II helix | trans | -58.1 | 143.2 | 160.9 | 29.1 | -32.9 | 0 | 0 | 0 | 107.7 | ||
| 2442 | V | 26.1 | Very low | 33.7 | Very low | 132 Ų | 132 | 120.3 Ų | 120.3 | 80% | 0.8 | 59% | 0.588 | S | S | * | * | P | Polyproline II helix | trans | -79.5 | 134.5 | 158.7 | -178.7 | 0 | 0 | 0 | 0 | 105.2 | ||
| 2443 | P | 25.7 | Very low | 32.5 | Very low | 55 Ų | 55 | 120 Ų | 120 | 36% | 0.357 | 58% | 0.582 | S | S | . | * | P | Polyproline II helix | trans | -57 | 168.2 | 173.2 | -25.5 | 36 | 0 | 0 | 0 | 112.8 | E2484 | P2443-E2484 HydrophobicContact CB-CB 3.71Å; P2443-E2484 HydrophobicContact CG-CB 3.72Å; P2443-E2484 HydrophobicContact CG-CG 4.49Å; P2443-E2484 WeakPolarHBondContact CG-OE2 3.43Å |
| 2444 | L | 25.6 | Very low | 31.3 | Very low | 153 Ų | 153 | 122.7 Ų | 122.7 | 80% | 0.801 | 59% | 0.594 | S | S | * | * | P | Polyproline II helix | trans | -82 | 151.4 | -178.6 | -67.5 | 87.6 | 0 | 0 | 0 | 110.4 | G2446 | L2444-G2446 PolarHBondContact O-N 3.44Š|
| 2445 | V | 27.6 | Very low | 30.6 | Very low | 144 Ų | 144 | 121.4 Ų | 121.4 | 87% | 0.873 | 60% | 0.596 | S | S | * | * | P | Polyproline II helix | trans | -62.7 | 119.2 | 162.7 | 177.9 | 0 | 0 | 0 | 0 | 107.4 | ||
| 2446 | G | 27.8 | Very low | 29.8 | Very low | 45 Ų | 45 | 125.7 Ų | 125.7 | 46% | 0.464 | 61% | 0.611 | S | S | . | * | P | Polyproline II helix | trans | -78.9 | 139.8 | 173.8 | 0 | 0 | 0 | 0 | 0 | 111.1 | L2444 | L2444-G2446 PolarHBondContact O-N 3.44Š|
| 2447 | P | 38.9 | Very low | 29 | Very low | 55 Ų | 55 | 123.1 Ų | 123.1 | 36% | 0.357 | 61% | 0.612 | S | S | . | * | P | Polyproline II helix | trans | -72.1 | 146.6 | 157.8 | 33.7 | -32.5 | 0 | 0 | 0 | 109.5 | K2478 P2479 L2481 | P2447-K2478 HydrophobicContact CB-CB 4.45Å; P2447-P2479 WeakPolarHBondContact CB-O 3.4Å; P2447-P2479 WeakPolarHBondContact CG-O 3.44Å; P2447-L2481 VanDerWaalsContact CD-O 3.27Å; P2447-L2481 WeakPolarHBondContact CD-O 3.19Å |
| 2448 | D | 30 | Very low | 28.2 | Very low | 71 Ų | 71 | 124 Ų | 124 | 38% | 0.38 | 62% | 0.617 | S | S | . | * | trans | 155.3 | -9.6 | 163.5 | 145.4 | 167.7 | 0 | 0 | 0 | 114.1 | K2478 I2480 | D2448-K2478 VanDerWaalsContact CB-O 3.22Å; D2448-K2478 WeakPolarHBondContact CB-O 3.19Å; D2448-I2480 WeakPolarHBondContact OD1-CG1 3.32Å; D2448-I2480 PolarHBondContact OD1-N 3.45Å; D2448-I2480 WeakPolarHBondContact OD2-CB 3.19Å; D2448-I2480 WeakPolarHBondContact OD2-CG1 3.47Å; D2448-I2480 WeakPolarHBondContact OD2-CG2 3.42Å | ||
| 2449 | D | 32.3 | Very low | 28.1 | Very low | 146 Ų | 146 | 118.6 Ų | 118.6 | 78% | 0.781 | 61% | 0.613 | S | S | * | * | trans | -92.9 | 146.2 | 134.5 | -78.2 | -51.5 | 0 | 0 | 0 | 107.3 | ||||
| 2450 | D | 30.6 | Very low | 28.1 | Very low | 53 Ų | 53 | 117.1 Ų | 117.1 | 28% | 0.283 | 62% | 0.615 | S | S | . | * | cis | -158.9 | 107.6 | 22.6 | 113.6 | 87 | 0 | 0 | 0 | 108.6 | K452 R2452 L2476 | K452-D2450 VanDerWaalsContact NZ-CG 3.32Å; K452-D2450 PolarHBondContact NZ-O 3.37Å; K452-D2450 IonicContact NZ-OD2 3.39Å; K452-D2450 PolarHBondContact NZ-OD2 2.97Å; D2450-R2452 WeakPolarHBondContact OD1-CG 3.31Å; D2450-R2452 IonicContact OD1-NE 3.73Å; D2450-R2452 PolarHBondContact OD1-NE 2.99Å; D2450-R2452 VanDerWaalsContact OD1-NE 3.13Å; D2450-L2476 CarbonylContact C-O 3.59Å; D2450-L2476 CarbonylContact O-C 3.56Å; D2450-L2476 WeakPolarHBondContact O-CB 3.47Å | ||
| 2451 | I | 26.7 | Very low | 28.4 | Very low | 41 Ų | 41 | 117.1 Ų | 117.1 | 21% | 0.21 | 62% | 0.623 | C | S | . | * | trans | -125.9 | 128.3 | 151.9 | -157.1 | 160.4 | 0 | 0 | 0 | 104.9 | E2453 A2474 L2476 R2477 | I2451-E2453 HydrophobicContact CD1-CG 4.3Å; I2451-E2453 HydrophobicContact CG1-CG 4.45Å; I2451-A2474 HydrophobicContact CD1-CB 4.16Å; I2451-L2476 HydrophobicContact CB-CB 3.92Å; I2451-L2476 HydrophobicContact CD1-CB 4.01Å; I2451-L2476 HydrophobicContact CG1-CB 3.66Å; I2451-R2477 HydrophobicContact CB-CB 4.39Å; I2451-R2477 HydrophobicContact CB-CG 4.49Å; I2451-R2477 HydrophobicContact CD1-CB 3.36Å; I2451-R2477 HydrophobicContact CD1-CG 3.8Å; I2451-R2477 HydrophobicContact CG1-CB 4.4Å; I2451-R2477 HydrophobicContact CG2-CB 4.41Å; I2451-R2477 HydrophobicContact CG2-CG 3.98Å | ||
| 2452 | R | 28 | Very low | 28.4 | Very low | 161 Ų | 161 | 115.4 Ų | 115.4 | 61% | 0.608 | 63% | 0.627 | S | S | * | * | cis | 60.2 | 67.4 | 18.8 | -67.9 | -152.2 | -143.7 | -172.9 | -9.9 | 116.9 | D2450 I2473 L2476 | D2450-R2452 WeakPolarHBondContact OD1-CG 3.31Å; D2450-R2452 IonicContact OD1-NE 3.73Å; D2450-R2452 PolarHBondContact OD1-NE 2.99Å; D2450-R2452 VanDerWaalsContact OD1-NE 3.13Å; R2452-I2473 HydrophobicContact CB-CG2 4.09Å; R2452-I2473 WeakPolarHBondContact O-CG2 3.48Å; R2452-I2473 VanDerWaalsContact O-O 3.08Å; R2452-L2476 HydrophobicContact CB-CD1 3.36Å; R2452-L2476 HydrophobicContact CG-CD1 4Å | ||
| 2453 | E | 28.6 | Very low | 28.4 | Very low | 54 Ų | 54 | 113 Ų | 113 | 25% | 0.252 | 63% | 0.629 | S | S | . | * | trans | -117 | 121.7 | 131.3 | -87.6 | -172.7 | 125 | 0 | 0 | 107.9 | I2451 I2455 A2474 R2477 | I2451-E2453 HydrophobicContact CD1-CG 4.3Å; I2451-E2453 HydrophobicContact CG1-CG 4.45Å; E2453-I2455 HydrophobicContact CB-CG1 4.43Å; E2453-I2455 PolarHBondContact O-N 2.99Å; E2453-I2455 WeakPolarHBondContact OE1-CD1 3.47Å; E2453-A2474 HydrophobicContact CG-CB 3.94Å; E2453-R2477 IonicContact OE2-CZ 2.71Å; E2453-R2477 VanDerWaalsContact OE2-CZ 3.25Å; E2453-R2477 IonicContact OE2-NH1 3.76Å; E2453-R2477 PolarHBondContact OE2-NH1 3.18Å; E2453-R2477 IonicContact OE2-NH2 3.15Å; E2453-R2477 PolarHBondContact OE2-NH2 3.14Å | ||
| 2454 | N | 26.8 | Very low | 28.5 | Very low | 126 Ų | 126 | 114 Ų | 114 | 67% | 0.674 | 65% | 0.649 | S | S | * | * | trans | -82.8 | 96.1 | 156.8 | -60.2 | 1.4 | 0 | 0 | 0 | 106.1 | I2473 | N2454-I2473 HydrophobicContact CB-CD1 3.7Š| ||
| 2455 | I | 27 | Very low | 28.6 | Very low | 118 Ų | 118 | 114.8 Ų | 114.8 | 61% | 0.605 | 65% | 0.648 | S | S | * | * | trans | -133.2 | 75.3 | 159.9 | -52.4 | -179.6 | 0 | 0 | 0 | 108.1 | E2453 | E2453-I2455 HydrophobicContact CB-CG1 4.43Å; E2453-I2455 PolarHBondContact O-N 2.99Å; E2453-I2455 WeakPolarHBondContact OE1-CD1 3.47Å | ||
| 2456 | I | 29.8 | Very low | 29 | Very low | 164 Ų | 164 | 116 Ų | 116 | 84% | 0.841 | 65% | 0.645 | S | S | * | * | trans | -112.1 | 132.9 | 152.4 | -66.6 | -179 | 0 | 0 | 0 | 105.9 | ||||
| 2457 | N | 25.9 | Very low | 29.2 | Very low | 139 Ų | 139 | 122.1 Ų | 122.1 | 74% | 0.743 | 67% | 0.667 | S | S | * | * | trans | -101.4 | 125.6 | -163.4 | -169 | 43.5 | 0 | 0 | 0 | 111.1 | ||||
| 2458 | Y | 25.4 | Very low | 28.6 | Very low | 228 Ų | 228 | 126.6 Ų | 126.6 | 89% | 0.894 | 68% | 0.683 | S | S | * | * | trans | -98.4 | 90.4 | 175.6 | -106.1 | -87.1 | 0 | 0 | 0 | 110.8 | ||||
| 2459 | A | 25.3 | Very low | 28.6 | Very low | 77 Ų | 77 | 129 Ų | 129 | 64% | 0.636 | 70% | 0.696 | S | S | * | * | trans | -161.3 | 137.4 | 162.1 | 0 | 0 | 0 | 0 | 0 | 106.4 | ||||
| 2460 | E | 31.1 | Very low | 28.4 | Very low | 182 Ų | 182 | 128.9 Ų | 128.9 | 85% | 0.85 | 70% | 0.701 | S | S | * | * | S | Bend | cis | -118.9 | 156.7 | 9.8 | -59.5 | 152 | 122.1 | 0 | 0 | 109.1 | ||
| 2461 | E | 29.1 | Very low | 28.3 | Very low | 200 Ų | 200 | 135.8 Ų | 135.8 | 94% | 0.935 | 72% | 0.724 | S | S | * | * | S | Bend | cis | -131.8 | 174 | 20.3 | -56.2 | -178.4 | 121.3 | 0 | 0 | 111.9 | ||
| 2462 | G | 27.8 | Very low | 28.5 | Very low | 80 Ų | 80 | 139.6 Ų | 139.6 | 83% | 0.825 | 75% | 0.745 | S | S | * | * | trans | 148.7 | -53.2 | 148.3 | 0 | 0 | 0 | 0 | 0 | 117.9 | ||||
| 2463 | G | 26.3 | Very low | 28.6 | Very low | 81 Ų | 81 | 135 Ų | 135 | 84% | 0.835 | 73% | 0.731 | S | S | * | * | trans | 87.4 | 154.3 | 171.5 | 0 | 0 | 0 | 0 | 0 | 117.5 | ||||
| 2464 | G | 27.2 | Very low | 28.8 | Very low | 75 Ų | 75 | 132.4 Ų | 132.4 | 77% | 0.773 | 72% | 0.719 | S | S | * | * | trans | 107.7 | 67.7 | -174.5 | 0 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 2465 | E | 28.9 | Very low | 29 | Very low | 170 Ų | 170 | 129 Ų | 129 | 79% | 0.794 | 71% | 0.709 | S | S | * | * | cis | 60 | 74.5 | 43 | -66.5 | -86.8 | -155.4 | 0 | 0 | 112.9 | ||||
| 2466 | E | 36.5 | Very low | 29 | Very low | 170 Ų | 170 | 124.6 Ų | 124.6 | 79% | 0.794 | 69% | 0.687 | S | S | * | * | 174.5 | 78.8 | 112.5 | -91.2 | -169.1 | 143.5 | 0 | 0 | 111.6 | |||||
| 2467 | D | 30.6 | Very low | 28.8 | Very low | 174 Ų | 174 | 119.8 Ų | 119.8 | 93% | 0.93 | 66% | 0.658 | S | S | * | * | S | Bend | trans | -146.6 | 136.5 | 141.7 | -135.1 | -20.6 | 0 | 0 | 0 | 108.3 | ||
| 2468 | Q | 26.8 | Very low | 28.8 | Very low | 149 Ų | 149 | 116.2 Ų | 116.2 | 70% | 0.696 | 64% | 0.635 | S | S | * | * | trans | -108.3 | 151 | -151.5 | -69.9 | -176.4 | -24.4 | 0 | 0 | 115.8 | ||||
| 2469 | D | 30 | Very low | 28.8 | Very low | 121 Ų | 121 | 109.5 Ų | 109.5 | 65% | 0.647 | 62% | 0.62 | S | S | * | * | trans | 34.7 | 88 | 145.1 | -69.5 | -41.5 | 0 | 0 | 0 | 118.2 | ||||
| 2470 | T | 28.7 | Very low | 28.8 | Very low | 144 Ų | 144 | 111.3 Ų | 111.3 | 88% | 0.883 | 62% | 0.618 | S | S | * | * | trans | -137.5 | 116 | 140.1 | -58 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 2471 | Y | 28.6 | Very low | 28.6 | Very low | 197 Ų | 197 | 109 Ų | 109 | 77% | 0.773 | 61% | 0.61 | S | S | * | * | trans | -82 | 169.1 | -175.5 | -84.1 | -118.5 | 0 | 0 | 0 | 113.2 | ||||
| 2472 | N | 30.1 | Very low | 28.6 | Very low | 121 Ų | 121 | 103.8 Ų | 103.8 | 65% | 0.647 | 59% | 0.594 | S | S | * | * | trans | 71.1 | 103.1 | 155.9 | -168.3 | 5.1 | 0 | 0 | 0 | 116.1 | A2474 | N2472-A2474 VanDerWaalsContact OD1-CB 3.23Å; N2472-A2474 WeakPolarHBondContact OD1-CB 3.33Å; N2472-A2474 PolarHBondContact OD1-N 3.01Å | ||
| 2473 | I | 30.8 | Very low | 28.4 | Very low | 64 Ų | 64 | 107 Ų | 107 | 33% | 0.328 | 59% | 0.59 | S | S | . | * | trans | -101.4 | -2.7 | 179.1 | -56.5 | 170.7 | 0 | 0 | 0 | 110.2 | R2452 N2454 A2475 L2476 | R2452-I2473 HydrophobicContact CB-CG2 4.09Å; R2452-I2473 WeakPolarHBondContact O-CG2 3.48Å; R2452-I2473 VanDerWaalsContact O-O 3.08Å; N2454-I2473 HydrophobicContact CB-CD1 3.7Å; I2473-A2475 PolarHBondContact O-N 2.8Å; I2473-L2476 WeakPolarHBondContact O-CD1 3.03Å | ||
| 2474 | A | 32.4 | Very low | 28.3 | Very low | 0 Ų | 0 | 109 Ų | 109 | 0% | 0 | 58% | 0.578 | C | S | . | * | trans | -73.9 | 11 | -168.6 | 0 | 0 | 0 | 0 | 0 | 116.4 | V454 I2451 E2453 N2472 L2476 | V454-A2474 HydrophobicContact CG1-CB 3.87Å; V454-A2474 WeakPolarHBondContact CG1-O 3.41Å; V454-A2474 WeakPolarHBondContact CG2-O 3.44Å; I2451-A2474 HydrophobicContact CD1-CB 4.16Å; E2453-A2474 HydrophobicContact CG-CB 3.94Å; N2472-A2474 VanDerWaalsContact OD1-CB 3.23Å; N2472-A2474 WeakPolarHBondContact OD1-CB 3.33Å; N2472-A2474 PolarHBondContact OD1-N 3.01Å; A2474-L2476 PolarHBondContact O-N 3.42Å | ||
| 2475 | A | 30.2 | Very low | 28.4 | Very low | 55 Ų | 55 | 113.1 Ų | 113.1 | 46% | 0.455 | 58% | 0.583 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -70 | 27.9 | -173.7 | 0 | 0 | 0 | 0 | 0 | 114.5 | K452 D453 I2473 | K452-A2475 VanDerWaalsContact CB-O 3.32Å; K452-A2475 WeakPolarHBondContact CB-O 3.25Å; D453-A2475 CarbonylContact O-C 3.57Å; D453-A2475 VanDerWaalsContact O-C 3.22Å; I2473-A2475 PolarHBondContact O-N 2.8Å |
| 2476 | L | 26.8 | Very low | 28.2 | Very low | 26 Ų | 26 | 112.5 Ų | 112.5 | 14% | 0.136 | 59% | 0.585 | C | S | . | * | T | Hydrogen-bonded Turn | trans | -150.6 | -15.5 | -142.3 | -76.8 | -171.2 | 0 | 0 | 0 | 114.9 | K452 D453 D2450 I2451 R2452 I2473 A2474 K2478 | K452-L2476 HydrophobicContact CD-CD2 3.78Å; K452-L2476 VanDerWaalsContact CE-O 3.3Å; K452-L2476 WeakPolarHBondContact CE-O 3.18Å; D453-L2476 CarbonylContact O-C 3.53Å; D453-L2476 WeakPolarHBondContact O-CA 3.27Å; D453-L2476 PolarHBondContact O-N 2.77Å; D2450-L2476 CarbonylContact C-O 3.59Å; D2450-L2476 CarbonylContact O-C 3.56Å; D2450-L2476 WeakPolarHBondContact O-CB 3.47Å; I2451-L2476 HydrophobicContact CB-CB 3.92Å; I2451-L2476 HydrophobicContact CD1-CB 4.01Å; I2451-L2476 HydrophobicContact CG1-CB 3.66Å; R2452-L2476 HydrophobicContact CB-CD1 3.36Å; R2452-L2476 HydrophobicContact CG-CD1 4Å; I2473-L2476 WeakPolarHBondContact O-CD1 3.03Å; A2474-L2476 PolarHBondContact O-N 3.42Å; L2476-K2478 VanDerWaalsContact C-N 3.28Å; L2476-K2478 PolarHBondContact O-N 2.71Å |
| 2477 | R | 27.2 | Very low | 27.7 | Very low | 63 Ų | 63 | 110.2 Ų | 110.2 | 24% | 0.238 | 59% | 0.585 | C | S | . | * | trans | -75.1 | 33.4 | -166.4 | -149 | 149.6 | -99.8 | 134.8 | 2.6 | 117 | D453 N455 I2451 E2453 P2479 | D453-R2477 PolarHBondContact O-N 3.23Å; N455-R2477 HydrophobicContact CB-CG 4.26Å; N455-R2477 WeakPolarHBondContact O-CD 3.09Å; N455-R2477 PolarHBondContact O-NH1 2.67Å; I2451-R2477 HydrophobicContact CB-CB 4.39Å; I2451-R2477 HydrophobicContact CB-CG 4.49Å; I2451-R2477 HydrophobicContact CD1-CB 3.36Å; I2451-R2477 HydrophobicContact CD1-CG 3.8Å; I2451-R2477 HydrophobicContact CG1-CB 4.4Å; I2451-R2477 HydrophobicContact CG2-CB 4.41Å; I2451-R2477 HydrophobicContact CG2-CG 3.98Å; E2453-R2477 IonicContact OE2-CZ 2.71Å; E2453-R2477 VanDerWaalsContact OE2-CZ 3.25Å; E2453-R2477 IonicContact OE2-NH1 3.76Å; E2453-R2477 PolarHBondContact OE2-NH1 3.18Å; E2453-R2477 IonicContact OE2-NH2 3.15Å; E2453-R2477 PolarHBondContact OE2-NH2 3.14Å; R2477-P2479 WeakPolarHBondContact O-CD 2.94Å | ||
| 2478 | K | 25.3 | Very low | 27.4 | Very low | 63 Ų | 63 | 107.9 Ų | 107.9 | 27% | 0.274 | 58% | 0.577 | S | S | . | * | P | Polyproline II helix | trans | -59.5 | 126.1 | 175.7 | -73.1 | -156.9 | 164.8 | -170.8 | 0 | 110.9 | E360 K452 D453 P2447 D2448 L2476 | E360-K2478 WeakPolarHBondContact OE1-CE 3.25Å; E360-K2478 IonicContact OE1-NZ 3.59Å; E360-K2478 PolarHBondContact OE1-NZ 3.23Å; E360-K2478 IonicContact OE2-NZ 2.69Å; K452-K2478 HydrophobicContact CG-CD 4.25Å; K452-K2478 HydrophobicContact CG-CG 4.13Å; D453-K2478 HydrophobicContact CB-CD 4.2Å; D453-K2478 HydrophobicContact CB-CG 3.67Å; P2447-K2478 HydrophobicContact CB-CB 4.45Å; D2448-K2478 VanDerWaalsContact CB-O 3.22Å; D2448-K2478 WeakPolarHBondContact CB-O 3.19Å; L2476-K2478 VanDerWaalsContact C-N 3.28Å; L2476-K2478 PolarHBondContact O-N 2.71Å |
| 2479 | P | 26.2 | Very low | 27.3 | Very low | 87 Ų | 87 | 109.8 Ų | 109.8 | 57% | 0.565 | 59% | 0.588 | S | S | * | * | P | Polyproline II helix | trans | -90.5 | 159.8 | -174.5 | 35.2 | -36.5 | 0 | 0 | 0 | 114 | P2447 R2477 | P2447-P2479 WeakPolarHBondContact CB-O 3.4Å; P2447-P2479 WeakPolarHBondContact CG-O 3.44Å; R2477-P2479 WeakPolarHBondContact O-CD 2.94Å |
| 2480 | I | 23.6 | Very low | 27 | Very low | 116 Ų | 116 | 114.7 Ų | 114.7 | 60% | 0.595 | 60% | 0.597 | S | S | * | * | P | Polyproline II helix | trans | -46.6 | 141.8 | 176.6 | -8.4 | -155.1 | 0 | 0 | 0 | 114.5 | D2448 | D2448-I2480 WeakPolarHBondContact OD1-CG1 3.32Å; D2448-I2480 PolarHBondContact OD1-N 3.45Å; D2448-I2480 WeakPolarHBondContact OD2-CB 3.19Å; D2448-I2480 WeakPolarHBondContact OD2-CG1 3.47Å; D2448-I2480 WeakPolarHBondContact OD2-CG2 3.42Å |
| 2481 | L | 26.8 | Very low | 26.9 | Very low | 133 Ų | 133 | 115.7 Ų | 115.7 | 70% | 0.696 | 59% | 0.594 | S | S | * | * | trans | 179.4 | 145.8 | 139.1 | -97.5 | 166.3 | 0 | 0 | 0 | 110.4 | P2447 | P2447-L2481 VanDerWaalsContact CD-O 3.27Å; P2447-L2481 WeakPolarHBondContact CD-O 3.19Å | ||
| 2482 | P | 29.5 | Very low | 27 | Very low | 90 Ų | 90 | 111.1 Ų | 111.1 | 58% | 0.584 | 59% | 0.588 | S | S | * | * | -121.6 | 146.4 | -92.1 | 37.9 | -29.4 | 0 | 0 | 0 | 117.4 | |||||
| 2483 | I | 23.8 | Very low | 27.1 | Very low | 147 Ų | 147 | 110.4 Ų | 110.4 | 75% | 0.754 | 58% | 0.584 | S | S | * | * | trans | 63.2 | 112.4 | 144.9 | -53.6 | 161.1 | 0 | 0 | 0 | 120 | ||||
| 2484 | E | 24.6 | Very low | 27.1 | Very low | 125 Ų | 125 | 108.4 Ų | 108.4 | 58% | 0.584 | 58% | 0.58 | S | S | * | * | -177.1 | 126 | 114.2 | -96.6 | -171.3 | 171.2 | 0 | 0 | 112.9 | P2443 | P2443-E2484 HydrophobicContact CB-CB 3.71Å; P2443-E2484 HydrophobicContact CG-CB 3.72Å; P2443-E2484 HydrophobicContact CG-CG 4.49Å; P2443-E2484 WeakPolarHBondContact CG-OE2 3.43Å | |||
| 2485 | D | 29.8 | Very low | 27.5 | Very low | 161 Ų | 161 | 115 Ų | 115 | 86% | 0.861 | 61% | 0.61 | S | S | * | * | trans | 63.9 | 130.8 | 158.8 | -67.8 | -2.7 | 0 | 0 | 0 | 125.1 | ||||
| 2486 | D | 24.4 | Very low | 27.9 | Very low | 156 Ų | 156 | 114.5 Ų | 114.5 | 83% | 0.834 | 60% | 0.599 | S | S | * | * | trans | -74.6 | 155.2 | 176.3 | -67.6 | -60.7 | 0 | 0 | 0 | 116.8 | ||||
| 2487 | P | 26.2 | Very low | 28.8 | Very low | 123 Ų | 123 | 114.1 Ų | 114.1 | 80% | 0.799 | 60% | 0.602 | S | S | * | * | trans | -117.3 | 97.3 | 151.9 | 35.3 | -22.9 | 0 | 0 | 0 | 113 | M2489 | P2487-M2489 PolarHBondContact O-N 2.86Š| ||
| 2488 | V | 24.1 | Very low | 29.8 | Very low | 125 Ų | 125 | 113.5 Ų | 113.5 | 76% | 0.758 | 60% | 0.603 | S | S | * | * | trans | -36.3 | 112.6 | 178.8 | -178.9 | 0 | 0 | 0 | 0 | 115.6 | R2490 | V2488-R2490 HydrophobicContact CG1-CG 4.41Š| ||
| 2489 | M | 24.5 | Very low | 30.9 | Very low | 189 Ų | 189 | 114 Ų | 114 | 93% | 0.931 | 61% | 0.605 | S | S | * | * | trans | -90.2 | 141.2 | 161.6 | -162.5 | 169 | -175 | 0 | 0 | 110.2 | P2487 | P2487-M2489 PolarHBondContact O-N 2.86Š| ||
| 2490 | R | 24.3 | Very low | 31.8 | Very low | 223 Ų | 223 | 111.4 Ų | 111.4 | 84% | 0.842 | 59% | 0.587 | S | S | * | * | trans | -106.5 | 119.5 | -173.1 | -71.2 | -173.9 | 178.7 | -178.1 | 1.8 | 113 | V2488 | V2488-R2490 HydrophobicContact CG1-CG 4.41Š| ||
| 2491 | M | 25 | Very low | 33.2 | Very low | 166 Ų | 166 | 108.6 Ų | 108.6 | 82% | 0.818 | 57% | 0.57 | S | S | * | * | trans | -93.7 | 144.4 | 159.1 | -67.5 | -175.4 | 175.9 | 0 | 0 | 111.1 | ||||
| 2492 | P | 30.8 | Very low | 34.5 | Very low | 101 Ų | 101 | 105.6 Ų | 105.6 | 66% | 0.656 | 56% | 0.555 | S | S | * | * | trans | -67.8 | 179.3 | 170.3 | -21.5 | 35.1 | 0 | 0 | 0 | 114.7 | K2501 | P2492-K2501 PolarHBondContact O-NZ 2.92Š| ||
| 2493 | N | 32.1 | Very low | 35.6 | Very low | 106 Ų | 106 | 103.4 Ų | 103.4 | 57% | 0.567 | 54% | 0.536 | S | S | * | . | trans | -95.1 | 153.3 | 175.3 | -38.7 | -96.2 | 0 | 0 | 0 | 111 | R2233 | R2233-N2493 PolarHBondContact NH1-OD1 3.49Å; R2233-N2493 PolarHBondContact NH2-OD1 2.97Å | ||
| 2494 | G | 32.5 | Very low | 36.8 | Very low | 22 Ų | 22 | 98.9 Ų | 98.9 | 23% | 0.227 | 51% | 0.513 | C | S | . | . | trans | -144 | 168.6 | 160.4 | 0 | 0 | 0 | 0 | 0 | 108.8 | D2498 | G2494-D2498 WeakPolarHBondContact O-CB 3.32Å; G2494-D2498 PolarHBondContact O-N 3.29Å | ||
| 2495 | H | 39.8 | Very low | 38.2 | Very low | 137 Ų | 137 | 97.7 Ų | 97.7 | 63% | 0.634 | 50% | 0.503 | S | S | * | . | T | Hydrogen-bonded Turn | cis | 44.3 | 94.9 | 45.5 | -82 | -61 | 0 | 0 | 0 | 110.6 | G2497 | H2495-G2497 PolarHBondContact O-N 2.78Š|
| 2496 | L | 39.2 | Very low | 39.3 | Very low | 45 Ų | 45 | 94.4 Ų | 94.4 | 24% | 0.236 | 49% | 0.486 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 59.6 | -48.3 | -166.1 | -176.2 | 62.7 | 0 | 0 | 0 | 114.6 | D2498 F2499 I2500 L2519 W2552 | L2496-D2498 PolarHBondContact O-N 2.66Å; L2496-F2499 HydrophobicContact CD1-CD1 4.29Å; L2496-F2499 WeakPolarHBondContact O-CB 3.19Å; L2496-F2499 PolarHBondContact O-N 2.89Å; L2496-F2499 VanDerWaalsContact O-N 3.07Å; L2496-I2500 HydrophobicContact CD1-CD1 3.59Å; L2496-I2500 HydrophobicContact CD1-CG1 3.74Å; L2496-I2500 HydrophobicContact CD2-CD1 4.09Å; L2496-I2500 HydrophobicContact CG-CD1 3.69Å; L2496-I2500 HydrophobicContact CG-CG1 4.14Å; L2496-I2500 PolarHBondContact O-N 2.78Å; L2496-L2519 HydrophobicContact CD2-CD2 4.2Å; L2496-W2552 HydrophobicContact CB-CE3 4.5Å; L2496-W2552 HydrophobicContact CB-CH2 3.78Å; L2496-W2552 HydrophobicContact CB-CZ2 4.13Å; L2496-W2552 HydrophobicContact CB-CZ3 3.96Å; L2496-W2552 HydrophobicContact CD1-CH2 3.67Å; L2496-W2552 HydrophobicContact CD1-CZ3 3.77Å; L2496-W2552 HydrophobicContact CD2-CE3 4.37Å; L2496-W2552 HydrophobicContact CD2-CH2 4.47Å; L2496-W2552 HydrophobicContact CD2-CZ3 3.88Å; L2496-W2552 HydrophobicContact CG-CH2 4.16Å; L2496-W2552 HydrophobicContact CG-CZ3 4.07Å |
| 2497 | G | 44.1 | Very low | 40.5 | Very low | 18 Ų | 18 | 88 Ų | 88 | 19% | 0.186 | 45% | 0.454 | C | S | . | . | H | α-helix | trans | -60.1 | -33.8 | -175.4 | 0 | 0 | 0 | 0 | 0 | 115.5 | H2495 K2501 | H2495-G2497 PolarHBondContact O-N 2.78Å; G2497-K2501 WeakPolarHBondContact O-CB 3.23Å; G2497-K2501 VanDerWaalsContact O-CD 3.26Å; G2497-K2501 WeakPolarHBondContact O-CD 3.41Å; G2497-K2501 WeakPolarHBondContact O-CG 3.16Å; G2497-K2501 PolarHBondContact O-N 2.8Å |
| 2498 | D | 49.2 | Very low | 41.6 | Very low | 51 Ų | 51 | 86.4 Ų | 86.4 | 27% | 0.273 | 44% | 0.439 | S | S | . | . | H | α-helix | trans | -82.5 | -26.4 | 173.1 | -82.4 | 16.2 | 0 | 0 | 0 | 112.8 | R2233 G2494 L2496 K2501 D2502 | R2233-D2498 IonicContact CZ-OD2 3.63Å; R2233-D2498 IonicContact NH2-OD1 3.17Å; R2233-D2498 IonicContact NH2-OD2 3.83Å; R2233-D2498 PolarHBondContact NH2-OD2 3.2Å; G2494-D2498 WeakPolarHBondContact O-CB 3.32Å; G2494-D2498 PolarHBondContact O-N 3.29Å; L2496-D2498 PolarHBondContact O-N 2.66Å; D2498-K2501 IonicContact OD1-NZ 3.02Å; D2498-K2501 PolarHBondContact OD1-NZ 2.88Å; D2498-D2502 PolarHBondContact O-N 2.79Å |
| 2499 | F | 47.4 | Very low | 43 | Very low | 72 Ų | 72 | 89 Ų | 89 | 32% | 0.316 | 44% | 0.435 | S | S | . | . | H | α-helix | trans | -69.9 | -49.6 | 171 | 171.4 | -98.9 | 0 | 0 | 0 | 111.3 | L2496 K2501 D2502 K2503 L2537 | L2496-F2499 HydrophobicContact CD1-CD1 4.29Å; L2496-F2499 WeakPolarHBondContact O-CB 3.19Å; L2496-F2499 PolarHBondContact O-N 2.89Å; L2496-F2499 VanDerWaalsContact O-N 3.07Å; F2499-K2501 VanDerWaalsContact C-N 3.31Å; F2499-K2501 PolarHBondContact O-N 2.8Å; F2499-D2502 PolarHBondContact O-N 3.15Å; F2499-D2502 VanDerWaalsContact O-N 3.17Å; F2499-K2503 HydrophobicContact CZ-CG 4.44Å; F2499-K2503 PolarHBondContact O-N 2.9Å; F2499-L2537 HydrophobicContact CE1-CD1 4.38Å; F2499-L2537 HydrophobicContact CE1-CD2 4.16Å |
| 2500 | I | 46.7 | Very low | 44.3 | Very low | 33 Ų | 33 | 83.5 Ų | 83.5 | 17% | 0.169 | 41% | 0.41 | C | S | . | . | H | α-helix | trans | -61 | -38.5 | 171.3 | -75.8 | -177.1 | 0 | 0 | 0 | 110.7 | L2496 K2503 L2504 L2519 L2537 | L2496-I2500 HydrophobicContact CD1-CD1 3.59Å; L2496-I2500 HydrophobicContact CD1-CG1 3.74Å; L2496-I2500 HydrophobicContact CD2-CD1 4.09Å; L2496-I2500 HydrophobicContact CG-CD1 3.69Å; L2496-I2500 HydrophobicContact CG-CG1 4.14Å; L2496-I2500 PolarHBondContact O-N 2.78Å; I2500-K2503 PolarHBondContact O-N 2.76Å; I2500-L2504 HydrophobicContact CG2-CD1 3.72Å; I2500-L2504 HydrophobicContact CG2-CG 4.22Å; I2500-L2504 WeakPolarHBondContact O-CB 2.98Å; I2500-L2504 WeakPolarHBondContact O-CG 2.93Å; I2500-L2504 PolarHBondContact O-N 2.86Å; I2500-L2519 HydrophobicContact CD1-CD1 3.95Å; I2500-L2519 HydrophobicContact CD1-CD2 3.92Å; I2500-L2519 HydrophobicContact CD1-CG 4.19Å; I2500-L2519 HydrophobicContact CG2-CD1 4.21Å; I2500-L2537 HydrophobicContact CG1-CD2 4.46Å |
| 2501 | K | 51.7 | Low | 45.6 | Very low | 57 Ų | 57 | 78.9 Ų | 78.9 | 25% | 0.248 | 41% | 0.409 | C | S | . | . | H | α-helix | trans | -66.7 | -33.4 | 173.5 | -80.6 | 166.3 | -161 | 159 | 0 | 113.6 | P2492 G2497 D2498 F2499 R2505 | P2492-K2501 PolarHBondContact O-NZ 2.92Å; G2497-K2501 WeakPolarHBondContact O-CB 3.23Å; G2497-K2501 VanDerWaalsContact O-CD 3.26Å; G2497-K2501 WeakPolarHBondContact O-CD 3.41Å; G2497-K2501 WeakPolarHBondContact O-CG 3.16Å; G2497-K2501 PolarHBondContact O-N 2.8Å; D2498-K2501 IonicContact OD1-NZ 3.02Å; D2498-K2501 PolarHBondContact OD1-NZ 2.88Å; F2499-K2501 VanDerWaalsContact C-N 3.31Å; F2499-K2501 PolarHBondContact O-N 2.8Å; K2501-R2505 WeakPolarHBondContact O-CB 3.19Å; K2501-R2505 PolarHBondContact O-N 2.82Å |
| 2502 | D | 55.7 | Low | 46.2 | Very low | 71 Ų | 71 | 78.3 Ų | 78.3 | 38% | 0.38 | 41% | 0.408 | S | S | . | . | H | α-helix | trans | -75.9 | -37.6 | 175.8 | -88.2 | -11.6 | 0 | 0 | 0 | 111.2 | D2498 F2499 R2505 D2506 | D2498-D2502 PolarHBondContact O-N 2.79Å; F2499-D2502 PolarHBondContact O-N 3.15Å; F2499-D2502 VanDerWaalsContact O-N 3.17Å; D2502-R2505 PolarHBondContact O-N 2.92Å; D2502-R2505 IonicContact OD1-CZ 3.88Å; D2502-R2505 IonicContact OD1-NH1 2.69Å; D2502-R2505 PolarHBondContact OD1-NH1 2.91Å; D2502-D2506 PolarHBondContact O-N 2.98Å |
| 2503 | K | 51 | Low | 46.5 | Very low | 44 Ų | 44 | 76.7 Ų | 76.7 | 19% | 0.191 | 40% | 0.396 | C | S | . | . | H | α-helix | trans | -66.8 | -41.2 | 171 | -68.1 | -61.8 | -172.5 | -175.7 | 0 | 113.2 | F2499 I2500 D2506 A2507 T2540 S2542 | F2499-K2503 HydrophobicContact CZ-CG 4.44Å; F2499-K2503 PolarHBondContact O-N 2.9Å; I2500-K2503 PolarHBondContact O-N 2.76Å; K2503-D2506 PolarHBondContact O-N 2.73Å; K2503-A2507 PolarHBondContact O-N 3.47Å; K2503-T2540 PolarHBondContact NZ-OG1 3.27Å; K2503-S2542 PolarHBondContact NZ-OG 2.82Å |
| 2504 | L | 49.1 | Very low | 46.7 | Very low | 51 Ų | 51 | 77 Ų | 77 | 27% | 0.267 | 40% | 0.404 | S | S | . | . | H | α-helix | trans | -59.1 | -45.9 | 168.3 | -82.2 | 167.3 | 0 | 0 | 0 | 110.6 | I2500 D2506 A2507 D2508 F2516 | I2500-L2504 HydrophobicContact CG2-CD1 3.72Å; I2500-L2504 HydrophobicContact CG2-CG 4.22Å; I2500-L2504 WeakPolarHBondContact O-CB 2.98Å; I2500-L2504 WeakPolarHBondContact O-CG 2.93Å; I2500-L2504 PolarHBondContact O-N 2.86Å; L2504-D2506 VanDerWaalsContact C-N 3.31Å; L2504-D2506 PolarHBondContact O-N 3.07Å; L2504-A2507 CarbonylContact O-C 3.52Å; L2504-A2507 WeakPolarHBondContact O-CA 3.36Å; L2504-A2507 WeakPolarHBondContact O-CB 3.33Å; L2504-A2507 PolarHBondContact O-N 2.94Å; L2504-A2507 VanDerWaalsContact O-N 3.11Å; L2504-D2508 WeakPolarHBondContact O-CB 3.5Å; L2504-D2508 PolarHBondContact O-N 2.87Å; L2504-F2516 HydrophobicContact CD1-CD1 4.45Å; L2504-F2516 HydrophobicContact CD1-CE1 4.18Å; L2504-F2516 HydrophobicContact CD2-CD1 3.97Å; L2504-F2516 HydrophobicContact CD2-CE1 3.99Å |
| 2505 | R | 54.5 | Low | 47 | Very low | 100 Ų | 100 | 79.5 Ų | 79.5 | 38% | 0.377 | 42% | 0.416 | S | S | . | . | H | α-helix | trans | -68.8 | -27.3 | -178.2 | 179.5 | -178.4 | -63.4 | 139.1 | 5.5 | 113.7 | K2501 D2502 R2509 | K2501-R2505 WeakPolarHBondContact O-CB 3.19Å; K2501-R2505 PolarHBondContact O-N 2.82Å; D2502-R2505 PolarHBondContact O-N 2.92Å; D2502-R2505 IonicContact OD1-CZ 3.88Å; D2502-R2505 IonicContact OD1-NH1 2.69Å; D2502-R2505 PolarHBondContact OD1-NH1 2.91Å; R2505-R2509 WeakPolarHBondContact O-CB 3.27Å; R2505-R2509 WeakPolarHBondContact O-CD 3.27Å; R2505-R2509 WeakPolarHBondContact O-CG 3.43Å; R2505-R2509 PolarHBondContact O-N 3.36Å |
| 2506 | D | 53.8 | Low | 46.9 | Very low | 93 Ų | 93 | 80 Ų | 80 | 50% | 0.497 | 42% | 0.417 | S | S | . | . | H | α-helix | trans | -74.2 | -37.9 | 170.8 | -73.7 | -20.4 | 0 | 0 | 0 | 110.5 | D2502 K2503 L2504 R2509 D2510 | D2502-D2506 PolarHBondContact O-N 2.98Å; K2503-D2506 PolarHBondContact O-N 2.73Å; L2504-D2506 VanDerWaalsContact C-N 3.31Å; L2504-D2506 PolarHBondContact O-N 3.07Å; D2506-R2509 PolarHBondContact O-N 2.79Å; D2506-D2510 PolarHBondContact O-N 3.37Å |
| 2507 | A | 49.9 | Very low | 46.7 | Very low | 21 Ų | 21 | 86 Ų | 86 | 17% | 0.174 | 45% | 0.449 | C | S | . | . | H | α-helix | trans | -63.4 | -46.8 | 169 | 0 | 0 | 0 | 0 | 0 | 112.7 | K2503 L2504 R2509 D2510 V2513 | K2503-A2507 PolarHBondContact O-N 3.47Å; L2504-A2507 CarbonylContact O-C 3.52Å; L2504-A2507 WeakPolarHBondContact O-CA 3.36Å; L2504-A2507 WeakPolarHBondContact O-CB 3.33Å; L2504-A2507 PolarHBondContact O-N 2.94Å; L2504-A2507 VanDerWaalsContact O-N 3.11Å; A2507-R2509 PolarHBondContact O-N 3.12Å; A2507-D2510 PolarHBondContact O-N 2.98Å; A2507-V2513 HydrophobicContact CB-CB 4.21Å; A2507-V2513 HydrophobicContact CB-CG1 3.64Å |
| 2508 | D | 48.4 | Very low | 46.7 | Very low | 89 Ų | 89 | 92.6 Ų | 92.6 | 48% | 0.476 | 48% | 0.475 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -58.4 | -12.2 | 174.3 | -63 | -32.1 | 0 | 0 | 0 | 113.3 | L2504 | L2504-D2508 WeakPolarHBondContact O-CB 3.5Å; L2504-D2508 PolarHBondContact O-N 2.87Å |
| 2509 | R | 52.6 | Low | 46.3 | Very low | 179 Ų | 179 | 94.4 Ų | 94.4 | 68% | 0.675 | 48% | 0.484 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -114.6 | -17 | -177.6 | -75.6 | 174.9 | 175.5 | 176.7 | -2.3 | 114.1 | R2505 D2506 A2507 P2511 | R2505-R2509 WeakPolarHBondContact O-CB 3.27Å; R2505-R2509 WeakPolarHBondContact O-CD 3.27Å; R2505-R2509 WeakPolarHBondContact O-CG 3.43Å; R2505-R2509 PolarHBondContact O-N 3.36Å; D2506-R2509 PolarHBondContact O-N 2.79Å; A2507-R2509 PolarHBondContact O-N 3.12Å; R2509-P2511 WeakPolarHBondContact O-CD 3.36Å |
| 2510 | D | 52.9 | Low | 45.9 | Very low | 74 Ų | 74 | 101.2 Ų | 101.2 | 40% | 0.396 | 51% | 0.508 | S | S | . | . | S | Bend | trans | -80.7 | 114.5 | 164.9 | -169.4 | -26.7 | 0 | 0 | 0 | 108.1 | D2506 A2507 L2512 V2513 | D2506-D2510 PolarHBondContact O-N 3.37Å; A2507-D2510 PolarHBondContact O-N 2.98Å; D2510-L2512 PolarHBondContact O-N 2.94Å; D2510-L2512 WeakPolarHBondContact OD1-CB 3.43Å; D2510-L2512 PolarHBondContact OD1-N 2.73Å; D2510-V2513 HydrophobicContact CB-CB 4.34Å; D2510-V2513 HydrophobicContact CB-CG2 3.81Å; D2510-V2513 PolarHBondContact O-N 2.91Å |
| 2511 | P | 52 | Low | 45.5 | Very low | 127 Ų | 127 | 104.6 Ų | 104.6 | 83% | 0.825 | 53% | 0.53 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -66.2 | 6.1 | 179.7 | 30.7 | -37.2 | 0 | 0 | 0 | 114.2 | R2509 | R2509-P2511 WeakPolarHBondContact O-CD 3.36Š|
| 2512 | L | 36.9 | Very low | 45.1 | Very low | 153 Ų | 153 | 108.3 Ų | 108.3 | 80% | 0.801 | 54% | 0.543 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -114.2 | -0.5 | 179.1 | -56.4 | 174.5 | 0 | 0 | 0 | 114.3 | D2510 | D2510-L2512 PolarHBondContact O-N 2.94Å; D2510-L2512 WeakPolarHBondContact OD1-CB 3.43Å; D2510-L2512 PolarHBondContact OD1-N 2.73Å |
| 2513 | V | 37.4 | Very low | 44.3 | Very low | 68 Ų | 68 | 110 Ų | 110 | 41% | 0.412 | 56% | 0.559 | S | S | . | * | trans | -113.8 | 131.3 | -174.9 | -175.6 | 0 | 0 | 0 | 0 | 112.1 | A2507 D2510 | A2507-V2513 HydrophobicContact CB-CB 4.21Å; A2507-V2513 HydrophobicContact CB-CG1 3.64Å; D2510-V2513 HydrophobicContact CB-CB 4.34Å; D2510-V2513 HydrophobicContact CB-CG2 3.81Å; D2510-V2513 PolarHBondContact O-N 2.91Å | ||
| 2514 | P | 36.5 | Very low | 43.9 | Very low | 113 Ų | 113 | 115 Ų | 115 | 73% | 0.734 | 59% | 0.588 | S | S | * | * | trans | -86.5 | 150 | 176.5 | 34.2 | -34.5 | 0 | 0 | 0 | 113 | ||||
| 2515 | P | 37.8 | Very low | 43.1 | Very low | 73 Ų | 73 | 119.6 Ų | 119.6 | 47% | 0.474 | 61% | 0.608 | S | S | . | * | trans | -110.5 | 160.4 | -174.2 | 41.1 | -35.9 | 0 | 0 | 0 | 116.6 | ||||
| 2516 | F | 38.6 | Very low | 42.5 | Very low | 149 Ų | 149 | 124.4 Ų | 124.4 | 65% | 0.654 | 64% | 0.635 | S | S | * | * | trans | 78.2 | 116.3 | 164.2 | -54.3 | -62.9 | 0 | 0 | 0 | 121.3 | L2504 | L2504-F2516 HydrophobicContact CD1-CD1 4.45Å; L2504-F2516 HydrophobicContact CD1-CE1 4.18Å; L2504-F2516 HydrophobicContact CD2-CD1 3.97Å; L2504-F2516 HydrophobicContact CD2-CE1 3.99Å | ||
| 2517 | D | 33.8 | Very low | 41.5 | Very low | 169 Ų | 169 | 127.2 Ų | 127.2 | 90% | 0.904 | 65% | 0.65 | S | S | * | * | trans | -124.7 | 159 | 159.6 | -98.8 | -47.8 | 0 | 0 | 0 | 109.5 | ||||
| 2518 | E | 45.3 | Very low | 41.1 | Very low | 157 Ų | 157 | 129.9 Ų | 129.9 | 73% | 0.734 | 67% | 0.672 | S | S | * | * | trans | -91.9 | 120.7 | -177.3 | -76.8 | -158.7 | -162.6 | 0 | 0 | 115 | R2520 | E2518-R2520 PolarHBondContact O-N 2.84Š| ||
| 2519 | L | 41.5 | Very low | 40.6 | Very low | 89 Ų | 89 | 135 Ų | 135 | 47% | 0.466 | 69% | 0.693 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -65.5 | -0.3 | -179.8 | -108 | 164.5 | 0 | 0 | 0 | 116.6 | L2496 I2500 Y2522 | L2496-L2519 HydrophobicContact CD2-CD2 4.2Å; I2500-L2519 HydrophobicContact CD1-CD1 3.95Å; I2500-L2519 HydrophobicContact CD1-CD2 3.92Å; I2500-L2519 HydrophobicContact CD1-CG 4.19Å; I2500-L2519 HydrophobicContact CG2-CD1 4.21Å; L2519-Y2522 HydrophobicContact CD2-CD2 4.34Å |
| 2520 | R | 37.3 | Very low | 39.7 | Very low | 215 Ų | 215 | 130.6 Ų | 130.6 | 81% | 0.811 | 69% | 0.69 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -88.7 | -13.2 | -160.8 | -139.1 | 176.3 | -172.2 | 179.6 | -0.3 | 115.5 | E2518 | E2518-R2520 PolarHBondContact O-N 2.84Š|
| 2521 | V | 39.2 | Very low | 38.9 | Very low | 104 Ų | 104 | 130.6 Ų | 130.6 | 63% | 0.63 | 69% | 0.693 | S | S | * | * | G | 310 helix | trans | -73.8 | -35.3 | -176.1 | -177.2 | 0 | 0 | 0 | 0 | 112 | C2523 | V2521-C2523 PolarHBondContact O-N 3.29Š|
| 2522 | Y | 42.2 | Very low | 38.1 | Very low | 136 Ų | 136 | 127.7 Ų | 127.7 | 53% | 0.533 | 69% | 0.685 | S | S | . | * | G | 310 helix | trans | -68.7 | -1.1 | -168.3 | -59.1 | -75.8 | 0 | 0 | 0 | 117.3 | L2519 | L2519-Y2522 HydrophobicContact CD2-CD2 4.34Š|
| 2523 | C | 40.1 | Very low | 38.1 | Very low | 105 Ų | 105 | 123.5 Ų | 123.5 | 71% | 0.709 | 67% | 0.669 | S | S | * | * | G | 310 helix | trans | -94.5 | -19.9 | -170.9 | -76.5 | 0 | 0 | 0 | 0 | 116.1 | V2521 | V2521-C2523 PolarHBondContact O-N 3.29Š|
| 2524 | N | 41.5 | Very low | 38.2 | Very low | 150 Ų | 150 | 123.3 Ų | 123.3 | 80% | 0.802 | 67% | 0.665 | S | S | * | * | S | Bend | trans | -131.2 | 8.6 | -155.5 | -89.4 | 30.6 | 0 | 0 | 0 | 117 | ||
| 2525 | E | 32.4 | Very low | 38.5 | Very low | 148 Ų | 148 | 122.1 Ų | 122.1 | 69% | 0.692 | 66% | 0.66 | S | S | * | * | trans | -105.3 | 124.9 | 176.2 | -66.1 | -172.5 | 160.3 | 0 | 0 | 111.7 | ||||
| 2526 | E | 41.4 | Very low | 38.8 | Very low | 201 Ų | 201 | 122.4 Ų | 122.4 | 94% | 0.939 | 66% | 0.663 | S | S | * | * | trans | -95.6 | -4.5 | 178.7 | -70.3 | -163.6 | 122.1 | 0 | 0 | 114 | ||||
| 2527 | D | 34.4 | Very low | 39 | Very low | 152 Ų | 152 | 117.2 Ų | 117.2 | 81% | 0.813 | 64% | 0.642 | S | S | * | * | trans | -93.9 | 117 | -177 | -90.5 | -50.2 | 0 | 0 | 0 | 113.3 | Q2529 | D2527-Q2529 PolarHBondContact O-N 3.26Š| ||
| 2528 | A | 41 | Very low | 39.5 | Very low | 77 Ų | 77 | 112 Ų | 112 | 64% | 0.636 | 62% | 0.619 | S | S | * | * | trans | -94.8 | 64.2 | -159.7 | 0 | 0 | 0 | 0 | 0 | 114.9 | ||||
| 2529 | Q | 37.4 | Very low | 39.3 | Very low | 195 Ų | 195 | 108.4 Ų | 108.4 | 91% | 0.911 | 61% | 0.611 | S | S | * | * | trans | -127.6 | 4.2 | 177.2 | -67 | -163.2 | -8.2 | 0 | 0 | 116.8 | D2527 | D2527-Q2529 PolarHBondContact O-N 3.26Š| ||
| 2530 | S | 34.3 | Very low | 39.1 | Very low | 87 Ų | 87 | 108.5 Ų | 108.5 | 61% | 0.608 | 62% | 0.616 | S | S | * | * | trans | -111 | 32.2 | -174.9 | 54 | 0 | 0 | 0 | 0 | 115.3 | G2532 | S2530-G2532 PolarHBondContact O-N 2.92Š| ||
| 2531 | V | 37 | Very low | 39.4 | Very low | 75 Ų | 75 | 102 Ų | 102 | 46% | 0.455 | 62% | 0.616 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -76.5 | 33.8 | -167.9 | -169 | 0 | 0 | 0 | 0 | 114.3 | L2559 F2563 | V2531-L2559 HydrophobicContact CG1-CD1 4.42Å; V2531-L2559 HydrophobicContact CG1-CD2 4.34Å; V2531-L2559 HydrophobicContact CG1-CG 3.98Å; V2531-F2563 HydrophobicContact CG1-CE2 3.93Å; V2531-F2563 HydrophobicContact CG1-CZ 4.44Å |
| 2532 | G | 33.7 | Very low | 39.4 | Very low | 65 Ų | 65 | 99.6 Ų | 99.6 | 67% | 0.67 | 60% | 0.603 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -111 | -12.8 | -164.7 | 0 | 0 | 0 | 0 | 0 | 118.8 | S2530 | S2530-G2532 PolarHBondContact O-N 2.92Š|
| 2533 | S | 37.2 | Very low | 39.7 | Very low | 65 Ų | 65 | 100.9 Ų | 100.9 | 46% | 0.455 | 62% | 0.619 | S | S | . | * | trans | -110.4 | -0 | -156.3 | 55.6 | 0 | 0 | 0 | 0 | 117.9 | S2535 | S2533-S2535 PolarHBondContact O-N 2.79Š| ||
| 2534 | L | 39.8 | Very low | 40.2 | Very low | 64 Ų | 64 | 97.8 Ų | 97.8 | 34% | 0.335 | 60% | 0.595 | S | S | . | * | G | 310 helix | trans | -76.3 | -2.2 | -177.8 | -76.5 | 166.9 | 0 | 0 | 0 | 115.1 | S2536 L2537 L2559 | L2534-S2536 PolarHBondContact O-N 2.93Å; L2534-S2536 VanDerWaalsContact O-N 3.17Å; L2534-L2537 HydrophobicContact CD2-CD1 4.07Å; L2534-L2537 PolarHBondContact O-N 2.73Å; L2534-L2559 HydrophobicContact CD1-CD1 4.13Å; L2534-L2559 HydrophobicContact CD1-CD2 3.65Å |
| 2535 | S | 42.6 | Very low | 41 | Very low | 89 Ų | 89 | 95.6 Ų | 95.6 | 62% | 0.622 | 58% | 0.584 | S | S | * | * | G | 310 helix | trans | -67.4 | -11.1 | -175.4 | 53.8 | 0 | 0 | 0 | 0 | 115.3 | S2533 S2538 | S2533-S2535 PolarHBondContact O-N 2.79Å; S2535-S2538 PolarHBondContact O-OG 3.28Å |
| 2536 | S | 44.5 | Very low | 42.3 | Very low | 79 Ų | 79 | 91.7 Ų | 91.7 | 55% | 0.552 | 56% | 0.563 | S | S | * | * | G | 310 helix | trans | -67 | -33.8 | 175.8 | 56.3 | 0 | 0 | 0 | 0 | 113.1 | L2534 S2538 S2539 | L2534-S2536 PolarHBondContact O-N 2.93Å; L2534-S2536 VanDerWaalsContact O-N 3.17Å; S2536-S2538 VanDerWaalsContact C-N 3.35Å; S2536-S2538 PolarHBondContact O-N 3.32Å; S2536-S2539 PolarHBondContact O-N 3.01Å; S2536-S2539 PolarHBondContact O-OG 2.99Å |
| 2537 | L | 42 | Very low | 43 | Very low | 39 Ų | 39 | 86.7 Ų | 86.7 | 20% | 0.204 | 54% | 0.543 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -69.5 | -25.3 | -172.2 | -68.8 | 168.9 | 0 | 0 | 0 | 114.3 | F2499 I2500 L2534 I2544 | F2499-L2537 HydrophobicContact CE1-CD1 4.38Å; F2499-L2537 HydrophobicContact CE1-CD2 4.16Å; I2500-L2537 HydrophobicContact CG1-CD2 4.46Å; L2534-L2537 HydrophobicContact CD2-CD1 4.07Å; L2534-L2537 PolarHBondContact O-N 2.73Å; L2537-I2544 HydrophobicContact CB-CD1 4.22Å |
| 2538 | S | 45.1 | Very low | 44 | Very low | 61 Ų | 61 | 83.8 Ų | 83.8 | 43% | 0.427 | 52% | 0.524 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -85.2 | -15.9 | -178.8 | 59.4 | 0 | 0 | 0 | 0 | 114.1 | S2535 S2536 T2540 G2541 | S2535-S2538 PolarHBondContact O-OG 3.28Å; S2536-S2538 VanDerWaalsContact C-N 3.35Å; S2536-S2538 PolarHBondContact O-N 3.32Å; S2538-T2540 PolarHBondContact O-N 3.48Å; S2538-G2541 PolarHBondContact O-N 2.79Å; S2538-G2541 VanDerWaalsContact O-N 3.12Å |
| 2539 | S | 40.2 | Very low | 44.7 | Very low | 80 Ų | 80 | 80.8 Ų | 80.8 | 56% | 0.559 | 50% | 0.498 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -64 | 0.6 | -169.6 | 65 | 0 | 0 | 0 | 0 | 116.5 | S2536 | S2536-S2539 PolarHBondContact O-N 3.01Å; S2536-S2539 PolarHBondContact O-OG 2.99Å |
| 2540 | T | 38.6 | Very low | 45.9 | Very low | 92 Ų | 92 | 75.8 Ų | 75.8 | 56% | 0.564 | 47% | 0.471 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -113.3 | 17.2 | 177.3 | 46.8 | 0 | 0 | 0 | 0 | 114.1 | K2503 S2538 | K2503-T2540 PolarHBondContact NZ-OG1 3.27Å; S2538-T2540 PolarHBondContact O-N 3.48Å |
| 2541 | G | 43 | Very low | 46.9 | Very low | 79 Ų | 79 | 78 Ų | 78 | 81% | 0.814 | 48% | 0.476 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 77.9 | 41.6 | 162.2 | 0 | 0 | 0 | 0 | 0 | 115.8 | S2538 | S2538-G2541 PolarHBondContact O-N 2.79Å; S2538-G2541 VanDerWaalsContact O-N 3.12Å |
| 2542 | S | 39.7 | Very low | 47.7 | Very low | 52 Ų | 52 | 78.6 Ų | 78.6 | 36% | 0.364 | 47% | 0.47 | S | S | . | . | trans | -146.8 | 130.5 | 171.5 | 62.9 | 0 | 0 | 0 | 0 | 109.5 | K2503 | K2503-S2542 PolarHBondContact NZ-OG 2.82Š| ||
| 2543 | D | 46.8 | Very low | 48.6 | Very low | 163 Ų | 163 | 78.2 Ų | 78.2 | 87% | 0.872 | 46% | 0.457 | S | S | * | . | trans | -61.2 | 154.6 | -176.2 | -52.7 | -55.5 | 0 | 0 | 0 | 113.2 | ||||
| 2544 | I | 51.1 | Low | 49.4 | Very low | 41 Ų | 41 | 80.7 Ų | 80.7 | 21% | 0.21 | 46% | 0.461 | C | S | . | . | trans | -92.8 | 132.6 | 176.4 | -64.1 | 175.1 | 0 | 0 | 0 | 108.7 | L2537 W2546 | L2537-I2544 HydrophobicContact CB-CD1 4.22Å; I2544-W2546 HydrophobicContact CG2-CD2 4.26Å; I2544-W2546 HydrophobicContact CG2-CE3 4.44Å; I2544-W2546 PolarHBondContact O-N 2.7Å | ||
| 2545 | D | 58.7 | Low | 49.8 | Very low | 104 Ų | 104 | 81.6 Ų | 81.6 | 56% | 0.556 | 47% | 0.471 | S | S | * | . | trans | -83.5 | 98 | 174 | -170.2 | -32.2 | 0 | 0 | 0 | 110 | D2547 E2548 | D2545-D2547 VanDerWaalsContact C-N 3.32Å; D2545-D2547 PolarHBondContact O-N 3.06Å; D2545-D2547 PolarHBondContact OD1-N 2.78Å; D2545-D2547 VanDerWaalsContact OD1-N 3.09Å; D2545-E2548 HydrophobicContact CB-CB 4.44Å; D2545-E2548 PolarHBondContact O-N 2.72Å; D2545-E2548 PolarHBondContact OD1-N 2.98Å; D2545-E2548 VanDerWaalsContact OD1-N 3.12Å | ||
| 2546 | W | 59.2 | Low | 50.1 | Low | 65 Ų | 65 | 79.6 Ų | 79.6 | 25% | 0.246 | 45% | 0.452 | C | S | . | . | H | α-helix | trans | -71.7 | -22.6 | -178.9 | -62.5 | 108.5 | 0 | 0 | 0 | 113.8 | I2544 E2548 V2549 R2550 A2560 F2563 A2564 | I2544-W2546 HydrophobicContact CG2-CD2 4.26Å; I2544-W2546 HydrophobicContact CG2-CE3 4.44Å; I2544-W2546 PolarHBondContact O-N 2.7Å; W2546-E2548 VanDerWaalsContact C-N 3.33Å; W2546-V2549 HydrophobicContact CE3-CG2 4.39Å; W2546-V2549 PolarHBondContact O-N 2.94Å; W2546-R2550 PolarHBondContact O-N 2.84Å; W2546-A2560 HydrophobicContact CE3-CB 4.31Å; W2546-F2563 HydrophobicContact CD2-CB 4.48Å; W2546-F2563 HydrophobicContact CE3-CB 4.44Å; W2546-F2563 HydrophobicContact CH2-CB 3.48Å; W2546-F2563 VanDerWaalsContact CH2-CB 3.48Å; W2546-F2563 HydrophobicContact CH2-CD2 4.33Å; W2546-F2563 HydrophobicContact CH2-CG 4.13Å; W2546-F2563 HydrophobicContact CZ2-CB 3.51Å; W2546-F2563 HydrophobicContact CZ2-CG 4.47Å; W2546-F2563 HydrophobicContact CZ3-CB 3.97Å; W2546-F2563 PolarHBondContact NE1-O 2.83Å; W2546-F2563 VanDerWaalsContact NE1-O 3.15Å; W2546-A2564 HydrophobicContact CB-CB 3.59Å; W2546-A2564 HydrophobicContact CG-CB 3.86Å |
| 2547 | D | 57.2 | Low | 50.8 | Low | 97 Ų | 97 | 79.2 Ų | 79.2 | 52% | 0.519 | 44% | 0.441 | S | S | . | . | H | α-helix | trans | -71.2 | -30.6 | 174.7 | -81 | -32.5 | 0 | 0 | 0 | 111.1 | D2545 V2549 R2550 N2551 | D2545-D2547 VanDerWaalsContact C-N 3.32Å; D2545-D2547 PolarHBondContact O-N 3.06Å; D2545-D2547 PolarHBondContact OD1-N 2.78Å; D2545-D2547 VanDerWaalsContact OD1-N 3.09Å; D2547-V2549 VanDerWaalsContact C-N 3.34Å; D2547-R2550 WeakPolarHBondContact OD1-CD 3.4Å; D2547-R2550 IonicContact OD1-CZ 3.83Å; D2547-R2550 IonicContact OD1-NE 3.9Å; D2547-R2550 IonicContact OD1-NH1 3.68Å; D2547-R2550 PolarHBondContact OD1-NH1 2.77Å; D2547-N2551 PolarHBondContact O-ND2 3.49Å |
| 2548 | E | 54.5 | Low | 51.3 | Low | 90 Ų | 90 | 85.9 Ų | 85.9 | 42% | 0.421 | 46% | 0.463 | S | S | . | . | H | α-helix | trans | -65.1 | -38.7 | 169 | -157.4 | 177.5 | -136.1 | 0 | 0 | 111.3 | D2545 W2546 N2551 W2552 | D2545-E2548 HydrophobicContact CB-CB 4.44Å; D2545-E2548 PolarHBondContact O-N 2.72Å; D2545-E2548 PolarHBondContact OD1-N 2.98Å; D2545-E2548 VanDerWaalsContact OD1-N 3.12Å; W2546-E2548 VanDerWaalsContact C-N 3.33Å; E2548-N2551 PolarHBondContact O-N 2.91Å; E2548-W2552 HydrophobicContact CG-CZ2 4.25Å; E2548-W2552 VanDerWaalsContact O-CD1 3.32Å; E2548-W2552 PolarHBondContact O-NE1 2.81Å |
| 2549 | V | 55.3 | Low | 51.4 | Low | 15 Ų | 15 | 84.4 Ų | 84.4 | 9% | 0.091 | 45% | 0.45 | C | S | . | . | H | α-helix | trans | -68.4 | -36.6 | -180 | -176.9 | 0 | 0 | 0 | 0 | 113 | W2546 D2547 N2551 W2552 M2556 A2560 | W2546-V2549 HydrophobicContact CE3-CG2 4.39Å; W2546-V2549 PolarHBondContact O-N 2.94Å; D2547-V2549 VanDerWaalsContact C-N 3.34Å; V2549-N2551 PolarHBondContact O-N 3.28Å; V2549-W2552 HydrophobicContact CG1-CE3 4.39Å; V2549-W2552 HydrophobicContact CG1-CZ3 4.44Å; V2549-W2552 HydrophobicContact CG2-CH2 3.93Å; V2549-W2552 HydrophobicContact CG2-CZ2 4.33Å; V2549-W2552 HydrophobicContact CG2-CZ3 4.16Å; V2549-W2552 PolarHBondContact O-N 3.21Å; V2549-M2556 HydrophobicContact CG1-CB 4.49Å; V2549-A2560 HydrophobicContact CB-CB 4.15Å; V2549-A2560 HydrophobicContact CG1-CB 4.08Å |
| 2550 | R | 63.4 | Low | 52.2 | Low | 90 Ų | 90 | 80.6 Ų | 80.6 | 34% | 0.34 | 42% | 0.423 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -51.7 | -24.1 | 176.3 | -82.2 | 179.3 | 165.4 | 134.8 | 2.4 | 114.2 | W2546 D2547 A2560 D2561 | W2546-R2550 PolarHBondContact O-N 2.84Å; D2547-R2550 WeakPolarHBondContact OD1-CD 3.4Å; D2547-R2550 IonicContact OD1-CZ 3.83Å; D2547-R2550 IonicContact OD1-NE 3.9Å; D2547-R2550 IonicContact OD1-NH1 3.68Å; D2547-R2550 PolarHBondContact OD1-NH1 2.77Å; R2550-A2560 HydrophobicContact CG-CB 3.67Å; R2550-D2561 IonicContact CZ-OD1 3.5Å; R2550-D2561 VanDerWaalsContact CZ-OD1 3.24Å; R2550-D2561 IonicContact NE-OD1 2.91Å; R2550-D2561 PolarHBondContact NE-OD1 2.98Å; R2550-D2561 IonicContact NH2-OD1 3.27Å; R2550-D2561 PolarHBondContact NH2-OD1 3.15Å |
| 2551 | N | 56.1 | Low | 53.4 | Low | 134 Ų | 134 | 80.1 Ų | 80.1 | 72% | 0.717 | 42% | 0.418 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -90.4 | -3.5 | -173.3 | -73 | -77.9 | 0 | 0 | 0 | 115 | D2547 E2548 V2549 | D2547-N2551 PolarHBondContact O-ND2 3.49Å; E2548-N2551 PolarHBondContact O-N 2.91Å; V2549-N2551 PolarHBondContact O-N 3.28Å |
| 2552 | W | 53.7 | Low | 53.8 | Low | 87 Ų | 87 | 81 Ų | 81 | 33% | 0.33 | 41% | 0.407 | S | S | . | . | S | Bend | trans | -90.1 | -35.6 | -166.9 | -60.9 | -6.1 | 0 | 0 | 0 | 114.9 | L2496 E2548 V2549 M2556 | L2496-W2552 HydrophobicContact CB-CE3 4.5Å; L2496-W2552 HydrophobicContact CB-CH2 3.78Å; L2496-W2552 HydrophobicContact CB-CZ2 4.13Å; L2496-W2552 HydrophobicContact CB-CZ3 3.96Å; L2496-W2552 HydrophobicContact CD1-CH2 3.67Å; L2496-W2552 HydrophobicContact CD1-CZ3 3.77Å; L2496-W2552 HydrophobicContact CD2-CE3 4.37Å; L2496-W2552 HydrophobicContact CD2-CH2 4.47Å; L2496-W2552 HydrophobicContact CD2-CZ3 3.88Å; L2496-W2552 HydrophobicContact CG-CH2 4.16Å; L2496-W2552 HydrophobicContact CG-CZ3 4.07Å; E2548-W2552 HydrophobicContact CG-CZ2 4.25Å; E2548-W2552 VanDerWaalsContact O-CD1 3.32Å; E2548-W2552 PolarHBondContact O-NE1 2.81Å; V2549-W2552 HydrophobicContact CG1-CE3 4.39Å; V2549-W2552 HydrophobicContact CG1-CZ3 4.44Å; V2549-W2552 HydrophobicContact CG2-CH2 3.93Å; V2549-W2552 HydrophobicContact CG2-CZ2 4.33Å; V2549-W2552 HydrophobicContact CG2-CZ3 4.16Å; V2549-W2552 PolarHBondContact O-N 3.21Å; W2552-M2556 HydrophobicContact CB-CB 4.3Å |
| 2553 | S | 51.2 | Low | 54.3 | Low | 56 Ų | 56 | 83.2 Ų | 83.2 | 39% | 0.392 | 41% | 0.411 | S | S | . | . | trans | -172.4 | 162.5 | 170.9 | 65 | 0 | 0 | 0 | 0 | 110.3 | M2556 K2557 | S2553-M2556 PolarHBondContact O-N 3Å; S2553-M2556 WeakPolarHBondContact OG-CG 3.48Å; S2553-M2556 PolarHBondContact OG-N 3.01Å; S2553-K2557 WeakPolarHBondContact O-CB 3.37Å; S2553-K2557 PolarHBondContact O-N 2.84Å | ||
| 2554 | E | 55.4 | Low | 54.4 | Low | 118 Ų | 118 | 77.1 Ų | 77.1 | 55% | 0.551 | 38% | 0.383 | S | S | * | . | H | α-helix | trans | -61.8 | -33.9 | 179.6 | -158.4 | 69.5 | -169.7 | 0 | 0 | 113.6 | K2557 R2558 | E2554-K2557 VanDerWaalsContact CD-NZ 3.3Å; E2554-K2557 IonicContact OE1-NZ 2.89Å; E2554-K2557 PolarHBondContact OE1-NZ 2.85Å; E2554-K2557 WeakPolarHBondContact OE2-CD 3.44Å; E2554-K2557 IonicContact OE2-NZ 3.73Å; E2554-K2557 PolarHBondContact OE2-NZ 3.04Å; E2554-K2557 VanDerWaalsContact OE2-NZ 3.13Å; E2554-R2558 PolarHBondContact O-N 2.83Å |
| 2555 | P | 46.8 | Very low | 53.8 | Low | 83 Ų | 83 | 82.7 Ų | 82.7 | 54% | 0.539 | 41% | 0.413 | S | S | . | . | H | α-helix | trans | -62.4 | -44.4 | 166.2 | -26 | 36.1 | 0 | 0 | 0 | 113.9 | K2557 R2558 L2559 | P2555-K2557 VanDerWaalsContact C-N 3.32Å; P2555-K2557 PolarHBondContact O-N 2.82Å; P2555-R2558 PolarHBondContact O-N 3.5Å; P2555-L2559 PolarHBondContact O-N 3.16Å |
| 2556 | M | 50.7 | Low | 53.5 | Low | 46 Ų | 46 | 81.6 Ų | 81.6 | 23% | 0.227 | 41% | 0.406 | C | S | . | . | H | α-helix | trans | -69.1 | -30.8 | 179 | -70.9 | -66.4 | 140.6 | 0 | 0 | 112.6 | V2549 W2552 S2553 L2559 A2560 | V2549-M2556 HydrophobicContact CG1-CB 4.49Å; W2552-M2556 HydrophobicContact CB-CB 4.3Å; S2553-M2556 PolarHBondContact O-N 3Å; S2553-M2556 WeakPolarHBondContact OG-CG 3.48Å; S2553-M2556 PolarHBondContact OG-N 3.01Å; M2556-L2559 HydrophobicContact CE-CD1 4.26Å; M2556-L2559 WeakPolarHBondContact O-CA 3.47Å; M2556-L2559 VanDerWaalsContact O-CB 3.29Å; M2556-L2559 WeakPolarHBondContact O-CB 3.27Å; M2556-L2559 PolarHBondContact O-N 2.73Å; M2556-L2559 VanDerWaalsContact O-N 3.16Å; M2556-L2559 HydrophobicContact SD-CD1 4.18Å; M2556-A2560 PolarHBondContact O-N 2.72Å |
| 2557 | K | 58.4 | Low | 53.2 | Low | 72 Ų | 72 | 82.5 Ų | 82.5 | 31% | 0.313 | 41% | 0.414 | S | S | . | . | H | α-helix | trans | -63.4 | -46 | 172.3 | 177.9 | -175.5 | 164.2 | -160.2 | 0 | 112 | S2553 E2554 P2555 L2559 A2560 D2561 | S2553-K2557 WeakPolarHBondContact O-CB 3.37Å; S2553-K2557 PolarHBondContact O-N 2.84Å; E2554-K2557 VanDerWaalsContact CD-NZ 3.3Å; E2554-K2557 IonicContact OE1-NZ 2.89Å; E2554-K2557 PolarHBondContact OE1-NZ 2.85Å; E2554-K2557 WeakPolarHBondContact OE2-CD 3.44Å; E2554-K2557 IonicContact OE2-NZ 3.73Å; E2554-K2557 PolarHBondContact OE2-NZ 3.04Å; E2554-K2557 VanDerWaalsContact OE2-NZ 3.13Å; P2555-K2557 VanDerWaalsContact C-N 3.32Å; P2555-K2557 PolarHBondContact O-N 2.82Å; K2557-L2559 PolarHBondContact O-N 2.82Å; K2557-A2560 PolarHBondContact O-N 3.35Å; K2557-D2561 WeakPolarHBondContact O-CB 3.11Å; K2557-D2561 VanDerWaalsContact O-CG 3.27Å; K2557-D2561 PolarHBondContact O-N 3.28Å |
| 2558 | R | 51.9 | Low | 53 | Low | 179 Ų | 179 | 81.7 Ų | 81.7 | 68% | 0.675 | 41% | 0.408 | S | S | * | . | H | α-helix | trans | -57.2 | -36.7 | 170.4 | -73.1 | -176.5 | 177.9 | 177.8 | 1.5 | 112.2 | E2554 P2555 T2562 | E2554-R2558 PolarHBondContact O-N 2.83Å; P2555-R2558 PolarHBondContact O-N 3.5Å; R2558-T2562 WeakPolarHBondContact O-CB 3.4Å; R2558-T2562 PolarHBondContact O-N 2.85Å; R2558-T2562 VanDerWaalsContact O-N 3.13Å; R2558-T2562 PolarHBondContact O-OG1 2.87Å |
| 2559 | L | 47.7 | Very low | 52.9 | Low | 29 Ų | 29 | 81.2 Ų | 81.2 | 15% | 0.152 | 41% | 0.408 | C | S | . | . | H | α-helix | trans | -68 | -46.8 | 179.9 | -142.3 | 161.1 | 0 | 0 | 0 | 110.6 | V2531 L2534 P2555 M2556 K2557 T2562 F2563 | V2531-L2559 HydrophobicContact CG1-CD1 4.42Å; V2531-L2559 HydrophobicContact CG1-CD2 4.34Å; V2531-L2559 HydrophobicContact CG1-CG 3.98Å; L2534-L2559 HydrophobicContact CD1-CD1 4.13Å; L2534-L2559 HydrophobicContact CD1-CD2 3.65Å; P2555-L2559 PolarHBondContact O-N 3.16Å; M2556-L2559 HydrophobicContact CE-CD1 4.26Å; M2556-L2559 WeakPolarHBondContact O-CA 3.47Å; M2556-L2559 VanDerWaalsContact O-CB 3.29Å; M2556-L2559 WeakPolarHBondContact O-CB 3.27Å; M2556-L2559 PolarHBondContact O-N 2.73Å; M2556-L2559 VanDerWaalsContact O-N 3.16Å; M2556-L2559 HydrophobicContact SD-CD1 4.18Å; K2557-L2559 PolarHBondContact O-N 2.82Å; L2559-T2562 WeakPolarHBondContact O-CB 3.21Å; L2559-T2562 PolarHBondContact O-N 2.77Å; L2559-F2563 HydrophobicContact CD2-CD2 3.83Å; L2559-F2563 HydrophobicContact CD2-CE2 3.86Å; L2559-F2563 WeakPolarHBondContact O-CD2 3.37Å; L2559-F2563 PolarHBondContact O-N 3.32Å |
| 2560 | A | 56.6 | Low | 52.8 | Low | 0 Ų | 0 | 85.3 Ų | 85.3 | 0% | 0 | 43% | 0.427 | C | S | . | . | H | α-helix | trans | -60.2 | -48.2 | 171.3 | 0 | 0 | 0 | 0 | 0 | 112.1 | W2546 V2549 R2550 M2556 K2557 T2562 F2563 A2564 | W2546-A2560 HydrophobicContact CE3-CB 4.31Å; V2549-A2560 HydrophobicContact CB-CB 4.15Å; V2549-A2560 HydrophobicContact CG1-CB 4.08Å; R2550-A2560 HydrophobicContact CG-CB 3.67Å; M2556-A2560 PolarHBondContact O-N 2.72Å; K2557-A2560 PolarHBondContact O-N 3.35Å; A2560-T2562 PolarHBondContact O-N 2.65Å; A2560-F2563 PolarHBondContact O-N 3.28Å; A2560-A2564 WeakPolarHBondContact O-CB 3.32Å; A2560-A2564 PolarHBondContact O-N 3.06Å |
| 2561 | D | 63.3 | Low | 52 | Low | 83 Ų | 83 | 85 Ų | 85 | 44% | 0.444 | 43% | 0.433 | S | S | . | . | H | α-helix | trans | -64.1 | -7.1 | 177.4 | -67.5 | -29.1 | 0 | 0 | 0 | 113.9 | R2550 K2557 | R2550-D2561 IonicContact CZ-OD1 3.5Å; R2550-D2561 VanDerWaalsContact CZ-OD1 3.24Å; R2550-D2561 IonicContact NE-OD1 2.91Å; R2550-D2561 PolarHBondContact NE-OD1 2.98Å; R2550-D2561 IonicContact NH2-OD1 3.27Å; R2550-D2561 PolarHBondContact NH2-OD1 3.15Å; K2557-D2561 WeakPolarHBondContact O-CB 3.11Å; K2557-D2561 VanDerWaalsContact O-CG 3.27Å; K2557-D2561 PolarHBondContact O-N 3.28Å |
| 2562 | T | 52.1 | Low | 51.8 | Low | 97 Ų | 97 | 81.5 Ų | 81.5 | 60% | 0.595 | 41% | 0.413 | S | S | * | . | H | α-helix | trans | -97.3 | -20.4 | 173.5 | -57.4 | 0 | 0 | 0 | 0 | 113.2 | R2558 L2559 A2560 | R2558-T2562 WeakPolarHBondContact O-CB 3.4Å; R2558-T2562 PolarHBondContact O-N 2.85Å; R2558-T2562 VanDerWaalsContact O-N 3.13Å; R2558-T2562 PolarHBondContact O-OG1 2.87Å; L2559-T2562 WeakPolarHBondContact O-CB 3.21Å; L2559-T2562 PolarHBondContact O-N 2.77Å; A2560-T2562 PolarHBondContact O-N 2.65Å |
| 2563 | F | 51.3 | Low | 51.6 | Low | 99 Ų | 99 | 81.1 Ų | 81.1 | 43% | 0.434 | 42% | 0.419 | S | S | . | . | H | α-helix | trans | -130.1 | 3.4 | -174.2 | -64.5 | -75.1 | 0 | 0 | 0 | 115.3 | V2531 W2546 L2559 A2560 | V2531-F2563 HydrophobicContact CG1-CE2 3.93Å; V2531-F2563 HydrophobicContact CG1-CZ 4.44Å; W2546-F2563 HydrophobicContact CD2-CB 4.48Å; W2546-F2563 HydrophobicContact CE3-CB 4.44Å; W2546-F2563 HydrophobicContact CH2-CB 3.48Å; W2546-F2563 VanDerWaalsContact CH2-CB 3.48Å; W2546-F2563 HydrophobicContact CH2-CD2 4.33Å; W2546-F2563 HydrophobicContact CH2-CG 4.13Å; W2546-F2563 HydrophobicContact CZ2-CB 3.51Å; W2546-F2563 HydrophobicContact CZ2-CG 4.47Å; W2546-F2563 HydrophobicContact CZ3-CB 3.97Å; W2546-F2563 PolarHBondContact NE1-O 2.83Å; W2546-F2563 VanDerWaalsContact NE1-O 3.15Å; L2559-F2563 HydrophobicContact CD2-CD2 3.83Å; L2559-F2563 HydrophobicContact CD2-CE2 3.86Å; L2559-F2563 WeakPolarHBondContact O-CD2 3.37Å; L2559-F2563 PolarHBondContact O-N 3.32Å; A2560-F2563 PolarHBondContact O-N 3.28Å |
| 2564 | A | 47.4 | Very low | 51.6 | Low | 35 Ų | 35 | 83.2 Ų | 83.2 | 29% | 0.289 | 42% | 0.422 | S | S | . | . | trans | -84.1 | -1.1 | -178.5 | 0 | 0 | 0 | 0 | 0 | 115.8 | W2546 A2560 | W2546-A2564 HydrophobicContact CB-CB 3.59Å; W2546-A2564 HydrophobicContact CG-CB 3.86Å; A2560-A2564 WeakPolarHBondContact O-CB 3.32Å; A2560-A2564 PolarHBondContact O-N 3.06Å | ||
| 2565 | D | 38.1 | Very low | 51.3 | Low | 157 Ų | 157 | 80 Ų | 80 | 84% | 0.84 | 41% | 0.41 | S | S | * | . | trans | -111.4 | 0 | -173.2 | -122.6 | 63.8 | 0 | 0 | 0 | 111.5 | R1349 | R1349-D2565 IonicContact CZ-OD2 3.25Å; R1349-D2565 VanDerWaalsContact NH2-CG 3.28Å; R1349-D2565 IonicContact NH2-OD1 2.69Å; R1349-D2565 PolarHBondContact NH2-OD1 2.85Å; R1349-D2565 IonicContact NH2-OD2 2.85Å; R1349-D2565 PolarHBondContact NH2-OD2 2.72Å |
Retrieved 2,565 of 2,565 residues in 446.8 ms
(Link to these results)