| 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 | 39.1 | Very low | 40 | Very low | 242 Ų | 242 | 139.1 Ų | 139.1 | 100% | 1.192 | 88% | 0.875 | S | S | * | * | 0 | 82.9 | 0 | -71.9 | 169.5 | 163.5 | 0 | 0 | 105.6 | |||||
| 2 | A | 34.6 | Very low | 40.4 | Very low | 90 Ų | 90 | 133.7 Ų | 133.7 | 74% | 0.744 | 87% | 0.866 | S | S | * | * | 66.4 | 92.5 | 93.1 | 0 | 0 | 0 | 0 | 0 | 109.8 | |||||
| 3 | E | 36.3 | Very low | 40.5 | Very low | 191 Ų | 191 | 130.9 Ų | 130.9 | 89% | 0.893 | 85% | 0.852 | S | S | * | * | 94 | 114.7 | 84.5 | -91.9 | -167.7 | 106.1 | 0 | 0 | 111.9 | |||||
| 4 | S | 40.5 | Very low | 41.1 | Very low | 127 Ų | 127 | 134.2 Ų | 134.2 | 89% | 0.888 | 86% | 0.857 | S | S | * | * | trans | -158.6 | 86.2 | 146.4 | 51.7 | 0 | 0 | 0 | 0 | 109.2 | ||||
| 5 | G | 37.4 | Very low | 41.5 | Very low | 80 Ų | 80 | 133.1 Ų | 133.1 | 83% | 0.825 | 85% | 0.848 | S | S | * | * | trans | -73.6 | 142 | 160.8 | 0 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 6 | S | 39.3 | Very low | 41.9 | Very low | 121 Ų | 121 | 131.2 Ų | 131.2 | 85% | 0.846 | 84% | 0.84 | S | S | * | * | trans | -133.4 | 89.5 | 160.2 | -172.4 | 0 | 0 | 0 | 0 | 107.6 | ||||
| 7 | A | 40.9 | Very low | 42.1 | Very low | 93 Ų | 93 | 130.2 Ų | 130.2 | 77% | 0.769 | 84% | 0.837 | S | S | * | * | trans | -91.4 | 107.7 | 161 | 0 | 0 | 0 | 0 | 0 | 106 | E9 | A7-E9 PolarHBondContact O-N 3.22Š| ||
| 8 | A | 42.4 | Very low | 42.9 | Very low | 99 Ų | 99 | 127.6 Ų | 127.6 | 82% | 0.818 | 83% | 0.829 | S | S | * | * | trans | -71.7 | 120.9 | 173 | 0 | 0 | 0 | 0 | 0 | 108.8 | ||||
| 9 | E | 36.8 | Very low | 43.7 | Very low | 189 Ų | 189 | 129.2 Ų | 129.2 | 88% | 0.883 | 83% | 0.829 | S | S | * | * | trans | -68.9 | 143.9 | -176.5 | -62.6 | -168.4 | 99.2 | 0 | 0 | 112.8 | A7 S11 | A7-E9 PolarHBondContact O-N 3.22Å; E9-S11 PolarHBondContact O-N 3.49Å | ||
| 10 | L | 47.2 | Very low | 44.5 | Very low | 180 Ų | 180 | 128 Ų | 128 | 94% | 0.942 | 82% | 0.822 | S | S | * | * | trans | -62 | 113.6 | 166 | -76.3 | 127.8 | 0 | 0 | 0 | 110.2 | ||||
| 11 | S | 45.7 | Very low | 45.3 | Very low | 118 Ų | 118 | 127.2 Ų | 127.2 | 83% | 0.825 | 82% | 0.817 | S | S | * | * | trans | -113.2 | 99.7 | 156.5 | -179.5 | 0 | 0 | 0 | 0 | 108.5 | E9 S13 | E9-S11 PolarHBondContact O-N 3.49Å; S11-S13 PolarHBondContact O-N 3.21Å | ||
| 12 | G | 44.2 | Very low | 46.6 | Very low | 74 Ų | 74 | 121.4 Ų | 121.4 | 76% | 0.763 | 80% | 0.798 | S | S | * | * | trans | -58.2 | 121 | 170.9 | 0 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 13 | S | 42 | Very low | 48.5 | Very low | 98 Ų | 98 | 127.7 Ų | 127.7 | 69% | 0.685 | 80% | 0.802 | S | S | * | * | trans | -97.6 | 92 | 161.1 | -168.2 | 0 | 0 | 0 | 0 | 107.3 | S11 T15 | S11-S13 PolarHBondContact O-N 3.21Å; S13-T15 PolarHBondContact O-N 2.97Å; S13-T15 WeakPolarHBondContact OG-CG2 3.44Å | ||
| 14 | L | 48.5 | Very low | 50.8 | Low | 177 Ų | 177 | 121.8 Ų | 121.8 | 93% | 0.927 | 78% | 0.779 | S | S | * | * | trans | -69.6 | 82.6 | 158.7 | -73.9 | 167 | 0 | 0 | 0 | 106.6 | S16 | L14-S16 VanDerWaalsContact C-N 3.31Å; L14-S16 PolarHBondContact O-N 2.98Å | ||
| 15 | T | 47.9 | Very low | 53.2 | Low | 117 Ų | 117 | 120.6 Ų | 120.6 | 72% | 0.718 | 76% | 0.755 | S | S | * | * | trans | -71.5 | 96.9 | 166.8 | 46.1 | 0 | 0 | 0 | 0 | 107.9 | S13 S17 | S13-T15 PolarHBondContact O-N 2.97Å; S13-T15 WeakPolarHBondContact OG-CG2 3.44Å; T15-S17 PolarHBondContact O-N 3.27Å | ||
| 16 | S | 47.5 | Very low | 55.9 | Low | 103 Ų | 103 | 120.2 Ų | 120.2 | 72% | 0.72 | 73% | 0.733 | S | S | * | * | trans | 3.8 | 103.6 | 153 | 175 | 0 | 0 | 0 | 0 | 113.3 | L14 A18 | L14-S16 VanDerWaalsContact C-N 3.31Å; L14-S16 PolarHBondContact O-N 2.98Å; S16-A18 PolarHBondContact O-N 3.31Å | ||
| 17 | S | 44.7 | Very low | 58.6 | Low | 114 Ų | 114 | 115.2 Ų | 115.2 | 80% | 0.797 | 70% | 0.696 | S | S | * | * | trans | -60 | 90.4 | 162 | 47 | 0 | 0 | 0 | 0 | 107.7 | T15 L19 | T15-S17 PolarHBondContact O-N 3.27Å; S17-L19 PolarHBondContact O-N 3.38Å | ||
| 18 | A | 57.7 | Low | 61.1 | Low | 83 Ų | 83 | 111.5 Ų | 111.5 | 69% | 0.686 | 66% | 0.663 | S | S | * | * | trans | -53.8 | 114.7 | 169.8 | 0 | 0 | 0 | 0 | 0 | 106.1 | S16 | S16-A18 PolarHBondContact O-N 3.31Š| ||
| 19 | L | 57.5 | Low | 63.6 | Low | 159 Ų | 159 | 106.8 Ų | 106.8 | 83% | 0.832 | 62% | 0.624 | S | S | * | * | P | Polyproline II helix | trans | -49.1 | 130.2 | 172.7 | -74.1 | 166.6 | 0 | 0 | 0 | 106.6 | S17 | S17-L19 PolarHBondContact O-N 3.38Š|
| 20 | P | 59.8 | Low | 66.4 | Low | 105 Ų | 105 | 97.8 Ų | 97.8 | 68% | 0.682 | 58% | 0.582 | S | S | * | * | P | Polyproline II helix | trans | -51.8 | 137.3 | 177.5 | 20.4 | -30.6 | 0 | 0 | 0 | 107.8 | ||
| 21 | P | 60.6 | Low | 68.7 | Low | 111 Ų | 111 | 89.2 Ų | 89.2 | 72% | 0.721 | 54% | 0.537 | S | S | * | . | P | Polyproline II helix | trans | -51.3 | 139 | -176.2 | 20.5 | -32 | 0 | 0 | 0 | 109 | R23 | P21-R23 PolarHBondContact O-N 2.76Å; P21-R23 VanDerWaalsContact O-N 3.12Å |
| 22 | P | 66.7 | Low | 71 | Confident | 121 Ų | 121 | 83.6 Ų | 83.6 | 79% | 0.786 | 50% | 0.498 | S | S | * | . | P | Polyproline II helix | trans | -51.9 | 125.6 | -175.8 | 17.4 | -29.2 | 0 | 0 | 0 | 109.4 | T24 | P22-T24 PolarHBondContact O-N 2.94Š|
| 23 | R | 75.3 | Confident | 73.4 | Confident | 221 Ų | 221 | 80.1 Ų | 80.1 | 83% | 0.834 | 46% | 0.462 | S | S | * | . | trans | -62.1 | 101.7 | -178 | -68.9 | -174.4 | 174.9 | -168.6 | -0.3 | 108.3 | P21 R25 | P21-R23 PolarHBondContact O-N 2.76Å; P21-R23 VanDerWaalsContact O-N 3.12Å; R23-R25 PolarHBondContact O-N 2.7Å | ||
| 24 | T | 84.4 | Confident | 75.9 | Confident | 67 Ų | 67 | 77.2 Ų | 77.2 | 41% | 0.411 | 44% | 0.439 | S | S | . | . | trans | -65.9 | 123.3 | 175.6 | -57 | 0 | 0 | 0 | 0 | 107.9 | P22 L67 K76 | P22-T24 PolarHBondContact O-N 2.94Å; T24-L67 HydrophobicContact CG2-CD1 3.91Å; T24-K76 HydrophobicContact CG2-CB 4.04Å | ||
| 25 | R | 91.9 | Very high | 78 | Confident | 103 Ų | 103 | 71.9 Ų | 71.9 | 39% | 0.389 | 42% | 0.416 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -63.2 | 140.3 | 176.3 | -68.8 | -170.2 | -170.1 | -178.6 | 2.7 | 109.8 | R23 E73 K76 | R23-R25 PolarHBondContact O-N 2.7Å; R25-E73 WeakPolarHBondContact CD-OE1 3.44Å; R25-E73 WeakPolarHBondContact CG-OE1 3.37Å; R25-E73 IonicContact CZ-OE1 3.12Å; R25-E73 IonicContact CZ-OE2 2.76Å; R25-E73 IonicContact NE-OE1 3.34Å; R25-E73 PolarHBondContact NE-OE1 2.85Å; R25-K76 PolarHBondContact O-N 3.31Å |
| 26 | I | 93.3 | Very high | 80.1 | Confident | 71 Ų | 71 | 68.9 Ų | 68.9 | 36% | 0.364 | 41% | 0.409 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -119 | 122.5 | -178.1 | -55.2 | -177.4 | 0 | 0 | 0 | 108.7 | K76 Q78 H101 | I26-K76 CarbonylContact C-O 3.57Å; I26-K76 VanDerWaalsContact CA-O 3.3Å; I26-K76 WeakPolarHBondContact CA-O 3.31Å; I26-K76 HydrophobicContact CD1-CD 4.37Å; I26-K76 HydrophobicContact CG1-CB 4.28Å; I26-K76 HydrophobicContact CG1-CD 4.31Å; I26-Q78 HydrophobicContact CG2-CB 4.34Å; I26-Q78 HydrophobicContact CG2-CG 3.66Å; I26-H101 PolarHBondContact O-CE1 3.29Å |
| 27 | F | 95.2 | Very high | 82.4 | Confident | 16 Ų | 16 | 64.1 Ų | 64.1 | 7% | 0.07 | 38% | 0.375 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.6 | 106 | 171.3 | -67 | -26.9 | 0 | 0 | 0 | 109.9 | I75 K76 Q78 A197 L200 K201 | F27-I75 HydrophobicContact CD2-CG2 3.48Å; F27-I75 VanDerWaalsContact CD2-CG2 3.48Å; F27-I75 HydrophobicContact CE2-CD1 3.81Å; F27-I75 HydrophobicContact CE2-CG2 3.64Å; F27-I75 HydrophobicContact CG-CG2 4.08Å; F27-I75 HydrophobicContact CZ-CD1 4.23Å; F27-I75 HydrophobicContact CZ-CG2 4.34Å; F27-K76 PolarHBondContact N-O 3.47Å; F27-Q78 PolarHBondContact O-N 3.31Å; F27-A197 HydrophobicContact CD2-CB 4.43Å; F27-A197 WeakPolarHBondContact CE2-O 3.38Å; F27-L200 HydrophobicContact CB-CD1 3.75Å; F27-L200 HydrophobicContact CD1-CB 4.16Å; F27-L200 HydrophobicContact CD1-CD1 4.21Å; F27-L200 HydrophobicContact CD2-CB 3.82Å; F27-L200 HydrophobicContact CD2-CD1 3.95Å; F27-L200 HydrophobicContact CE1-CB 4.03Å; F27-L200 HydrophobicContact CE2-CB 3.66Å; F27-L200 HydrophobicContact CG-CB 4.08Å; F27-L200 HydrophobicContact CG-CD1 3.72Å; F27-L200 HydrophobicContact CZ-CB 3.79Å; F27-K201 HydrophobicContact CE2-CB 4.2Å; F27-K201 HydrophobicContact CZ-CB 4.23Å |
| 28 | K | 94.2 | Very high | 84.8 | Confident | 16 Ų | 16 | 59.3 Ų | 59.3 | 7% | 0.07 | 34% | 0.343 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -81.3 | 114.3 | 172.3 | 173.6 | 169.6 | 176.3 | -175.6 | 0 | 110.2 | W80 H95 Y96 R98 V100 H101 A102 | K28-W80 HydrophobicContact CD-CD2 4.41Å; K28-W80 HydrophobicContact CD-CZ2 4.19Å; K28-W80 VanDerWaalsContact CE-CE2 3.42Å; K28-W80 HydrophobicContact CG-CG 4.37Å; K28-H95 PolarHBondContact NZ-O 2.81Å; K28-Y96 WeakPolarHBondContact CE-O 3.42Å; K28-Y96 PolarHBondContact NZ-O 2.93Å; K28-R98 PolarHBondContact NZ-O 3.43Å; K28-V100 HydrophobicContact CD-CG2 4.41Å; K28-V100 HydrophobicContact CG-CG2 4.43Å; K28-H101 PolarHBondContact N-ND1 2.96Å; K28-H101 WeakPolarHBondContact O-CA 3.32Å; K28-H101 WeakPolarHBondContact O-CB 3.38Å; K28-H101 PolarHBondContact O-N 3.16Å; K28-A102 PolarHBondContact O-N 3.4Å |
| 29 | I | 95.2 | Very high | 86.5 | Confident | 0 Ų | 0 | 55.7 Ų | 55.7 | 0% | 0 | 31% | 0.312 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.7 | 124 | 178.1 | -51.3 | 179.9 | 0 | 0 | 0 | 107.9 | I77 Q78 L79 W80 A102 V104 V196 L200 | I29-I77 HydrophobicContact CD1-CG2 3.83Å; I29-I77 HydrophobicContact CG1-CG2 4.46Å; I29-Q78 PolarHBondContact N-O 3.45Å; I29-L79 HydrophobicContact CB-CD2 3.86Å; I29-L79 HydrophobicContact CD1-CD2 4.14Å; I29-L79 HydrophobicContact CG1-CD2 4.43Å; I29-L79 HydrophobicContact CG2-CD2 4.28Å; I29-L79 WeakPolarHBondContact O-CA 3.41Å; I29-W80 PolarHBondContact O-N 2.87Å; I29-A102 WeakPolarHBondContact CA-O 3.41Å; I29-A102 HydrophobicContact CG1-CB 4.22Å; I29-A102 HydrophobicContact CG2-CB 4.21Å; I29-V104 HydrophobicContact CG2-CG2 3.6Å; I29-V196 HydrophobicContact CD1-CB 4.43Å; I29-V196 HydrophobicContact CD1-CG1 3.79Å; I29-V196 HydrophobicContact CG1-CG1 4.44Å; I29-L200 HydrophobicContact CG1-CD1 4.42Å |
| 30 | I | 94.7 | Very high | 88.3 | Confident | 0 Ų | 0 | 49.6 Ų | 49.6 | 0% | 0 | 28% | 0.281 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.1 | 142.4 | 173.3 | 57.1 | 165.9 | 0 | 0 | 0 | 110.4 | I32 W80 Y96 Y97 V100 A102 V103 V104 | I30-I32 HydrophobicContact CD1-CG2 4.25Å; I30-W80 HydrophobicContact CB-CB 4.49Å; I30-W80 HydrophobicContact CG2-CB 3.82Å; I30-W80 HydrophobicContact CG2-CG 4.37Å; I30-Y96 WeakPolarHBondContact CG2-O 3.42Å; I30-Y97 HydrophobicContact CD1-CD1 3.43Å; I30-Y97 VanDerWaalsContact CD1-CD1 3.43Å; I30-Y97 HydrophobicContact CD1-CE1 3.26Å; I30-Y97 HydrophobicContact CD1-CG 4.49Å; I30-V100 HydrophobicContact CB-CG2 4.42Å; I30-V100 HydrophobicContact CD1-CG1 4.2Å; I30-V100 HydrophobicContact CD1-CG2 4.12Å; I30-V100 HydrophobicContact CG1-CG1 3.82Å; I30-V100 HydrophobicContact CG1-CG2 4.1Å; I30-V100 HydrophobicContact CG2-CG2 3.5Å; I30-A102 PolarHBondContact N-O 3.36Å; I30-V103 HydrophobicContact CD1-CB 4.44Å; I30-V103 HydrophobicContact CD1-CG1 4.03Å; I30-V103 HydrophobicContact CD1-CG2 3.88Å; I30-V103 HydrophobicContact CG1-CB 4.17Å; I30-V103 HydrophobicContact CG1-CG1 4.01Å; I30-V103 HydrophobicContact CG1-CG2 3.87Å; I30-V104 PolarHBondContact O-N 3.06Å |
| 31 | V | 95.6 | Very high | 89.9 | Confident | 0 Ų | 0 | 45.2 Ų | 45.2 | 0% | 0 | 25% | 0.253 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.4 | 117.6 | 176.3 | -169.8 | 0 | 0 | 0 | 0 | 108.3 | K39 T43 W80 T82 V104 V106 F193 | V31-K39 HydrophobicContact CG1-CB 3.87Å; V31-K39 HydrophobicContact CG1-CD 4.14Å; V31-K39 HydrophobicContact CG1-CG 3.94Å; V31-T43 HydrophobicContact CB-CG2 4.25Å; V31-T43 HydrophobicContact CG2-CG2 3.66Å; V31-W80 PolarHBondContact N-O 2.96Å; V31-T82 PolarHBondContact O-N 2.97Å; V31-T82 PolarHBondContact O-OG1 2.88Å; V31-V104 WeakPolarHBondContact CA-O 3.27Å; V31-V104 HydrophobicContact CG1-CB 4.38Å; V31-V104 HydrophobicContact CG1-CG1 4.43Å; V31-V104 HydrophobicContact CG2-CB 4.29Å; V31-V106 HydrophobicContact CG1-CG2 3.48Å; V31-V106 VanDerWaalsContact CG1-CG2 3.48Å; V31-F193 HydrophobicContact CG2-CE1 4.44Å |
| 32 | I | 94.3 | Very high | 91.5 | Very high | 0 Ų | 0 | 40.1 Ų | 40.1 | 0% | 0 | 22% | 0.22 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.9 | 153.6 | -172.4 | 59.4 | 175.5 | 0 | 0 | 0 | 111.6 | I30 T82 V103 V104 F105 V106 W121 C125 | I30-I32 HydrophobicContact CD1-CG2 4.25Å; I32-T82 HydrophobicContact CG2-CG2 4.01Å; I32-V103 HydrophobicContact CD1-CG1 3.58Å; I32-V103 HydrophobicContact CG1-CG1 3.89Å; I32-V104 PolarHBondContact N-O 2.82Å; I32-F105 HydrophobicContact CD1-CD1 3.63Å; I32-F105 HydrophobicContact CD1-CE1 3.23Å; I32-F105 HydrophobicContact CD1-CZ 3.83Å; I32-F105 HydrophobicContact CG1-CD1 3.7Å; I32-F105 HydrophobicContact CG1-CE1 3.88Å; I32-F105 HydrophobicContact CG1-CG 4.35Å; I32-F105 CarbonylContact O-C 3.55Å; I32-F105 WeakPolarHBondContact O-CA 3.47Å; I32-V106 PolarHBondContact O-N 3.05Å; I32-W121 HydrophobicContact CB-CE3 4.07Å; I32-W121 HydrophobicContact CB-CZ3 4.18Å; I32-C125 HydrophobicContact CD1-CB 4.37Å |
| 33 | G | 94.6 | Very high | 92.9 | Very high | 0 Ų | 0 | 34.3 Ų | 34.3 | 0% | 0 | 18% | 0.182 | C | C | . | . | trans | 144.3 | 173.4 | -173.4 | 0 | 0 | 0 | 0 | 0 | 112.2 | K39 G84 V106 W121 | G33-K39 WeakPolarHBondContact O-CE 3.45Å; G33-K39 PolarHBondContact O-NZ 2.75Å; G33-G84 WeakPolarHBondContact O-CA 3.37Å; G33-V106 WeakPolarHBondContact CA-O 3.49Å; G33-W121 WeakPolarHBondContact O-CH2 3.5Å; G33-W121 WeakPolarHBondContact O-CZ2 3.43Å | ||
| 34 | D | 94.1 | Very high | 93.7 | Very high | 38 Ų | 38 | 25.1 Ų | 25.1 | 20% | 0.203 | 15% | 0.148 | C | C | . | . | trans | -61.7 | 165.4 | -171.8 | -81.3 | 12.1 | 0 | 0 | 0 | 114.1 | V37 K39 S117 W121 | D34-V37 HydrophobicContact CB-CG1 3.81Å; D34-V37 VanDerWaalsContact O-CG2 3.26Å; D34-V37 WeakPolarHBondContact O-CG2 3.49Å; D34-K39 PolarHBondContact O-NZ 2.94Å; D34-S117 VanDerWaalsContact OD1-CB 3.27Å; D34-S117 WeakPolarHBondContact OD1-CB 3.44Å; D34-S117 VanDerWaalsContact OD2-CB 3.31Å; D34-S117 WeakPolarHBondContact OD2-CB 3.18Å; D34-S117 PolarHBondContact OD2-OG 3.41Å; D34-W121 PolarHBondContact OD1-NE1 3.11Å | ||
| 35 | S | 92.3 | Very high | 94.1 | Very high | 64 Ų | 64 | 22.7 Ų | 22.7 | 45% | 0.448 | 13% | 0.132 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -67.2 | 137.7 | 175 | -171.3 | 0 | 0 | 0 | 0 | 110 | V37 | S35-V37 VanDerWaalsContact C-N 3.31Å; S35-V37 PolarHBondContact O-N 3.24Å |
| 36 | G | 92.4 | Very high | 94.1 | Very high | 55 Ų | 55 | 17.9 Ų | 17.9 | 57% | 0.567 | 11% | 0.113 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 80.3 | 0.1 | 176.2 | 0 | 0 | 0 | 0 | 0 | 116.1 | G38 K142 | G36-G38 PolarHBondContact O-N 2.74Å; G36-K142 WeakPolarHBondContact O-CE 3.26Å; G36-K142 PolarHBondContact O-NZ 2.94Å |
| 37 | V | 95.6 | Very high | 94 | Very high | 2 Ų | 2 | 16 Ų | 16 | 1% | 0.012 | 11% | 0.107 | C | C | . | . | S | Bend | trans | -71.2 | -15.2 | 175.3 | -54.7 | 0 | 0 | 0 | 0 | 113.5 | D34 S35 K39 V106 D108 N141 | D34-V37 HydrophobicContact CB-CG1 3.81Å; D34-V37 VanDerWaalsContact O-CG2 3.26Å; D34-V37 WeakPolarHBondContact O-CG2 3.49Å; S35-V37 VanDerWaalsContact C-N 3.31Å; S35-V37 PolarHBondContact O-N 3.24Å; V37-K39 HydrophobicContact CG2-CD 4.3Å; V37-K39 HydrophobicContact CG2-CG 3.63Å; V37-V106 HydrophobicContact CB-CG1 4.29Å; V37-V106 HydrophobicContact CG2-CB 4Å; V37-V106 HydrophobicContact CG2-CG1 3.76Å; V37-D108 HydrophobicContact CB-CB 4.2Å; V37-D108 HydrophobicContact CG1-CB 4.11Å; V37-N141 PolarHBondContact O-ND2 2.84Å |
| 38 | G | 94.6 | Very high | 93.7 | Very high | 13 Ų | 13 | 17.6 Ų | 17.6 | 13% | 0.134 | 12% | 0.122 | C | C | . | . | S | Bend | trans | 99.5 | 24.4 | 174.6 | 0 | 0 | 0 | 0 | 0 | 115.9 | G36 T40 C41 L42 | G36-G38 PolarHBondContact O-N 2.74Å; G38-T40 PolarHBondContact O-N 3.38Å; G38-C41 WeakPolarHBondContact O-CB 3.45Å; G38-C41 PolarHBondContact O-N 3.01Å; G38-C41 VanDerWaalsContact O-N 3.13Å; G38-L42 WeakPolarHBondContact O-CG 3.37Å; G38-L42 PolarHBondContact O-N 3.29Å |
| 39 | K | 95.2 | Very high | 93.3 | Very high | 8 Ų | 8 | 18.8 Ų | 18.8 | 4% | 0.035 | 14% | 0.14 | C | C | . | . | H | α-helix | trans | -53.1 | -52.5 | 174.7 | -56.8 | -172.3 | -59.4 | -72.7 | 0 | 112.4 | V31 G33 D34 V37 C41 L42 T43 D81 T82 V106 | V31-K39 HydrophobicContact CG1-CB 3.87Å; V31-K39 HydrophobicContact CG1-CD 4.14Å; V31-K39 HydrophobicContact CG1-CG 3.94Å; G33-K39 WeakPolarHBondContact O-CE 3.45Å; G33-K39 PolarHBondContact O-NZ 2.75Å; D34-K39 PolarHBondContact O-NZ 2.94Å; V37-K39 HydrophobicContact CG2-CD 4.3Å; V37-K39 HydrophobicContact CG2-CG 3.63Å; K39-C41 VanDerWaalsContact C-N 3.28Å; K39-C41 PolarHBondContact O-N 2.66Å; K39-L42 PolarHBondContact O-N 3.5Å; K39-L42 VanDerWaalsContact O-N 3.12Å; K39-T43 WeakPolarHBondContact O-CG2 3.24Å; K39-T43 PolarHBondContact O-N 2.91Å; K39-T43 PolarHBondContact O-OG1 3.24Å; K39-D81 WeakPolarHBondContact CB-OD1 3.12Å; K39-T82 WeakPolarHBondContact CE-O 3.3Å; K39-T82 PolarHBondContact NZ-O 3.46Å; K39-V106 HydrophobicContact CG-CB 4.05Å; K39-V106 HydrophobicContact CG-CG1 4.45Å; K39-V106 HydrophobicContact CG-CG2 4.18Å |
| 40 | T | 94.5 | Very high | 92.8 | Very high | 30 Ų | 30 | 25 Ų | 25 | 18% | 0.184 | 16% | 0.163 | C | C | . | . | H | α-helix | trans | -57.2 | -40.5 | 175.6 | -43.5 | 0 | 0 | 0 | 0 | 112.2 | G38 T43 F44 T58 D81 | G38-T40 PolarHBondContact O-N 3.38Å; T40-T43 PolarHBondContact O-OG1 3.17Å; T40-F44 WeakPolarHBondContact O-CB 3.42Å; T40-F44 PolarHBondContact O-N 2.8Å; T40-T58 PolarHBondContact OG1-OG1 2.82Å; T40-T58 VanDerWaalsContact OG1-OG1 3.06Å; T40-D81 VanDerWaalsContact CA-OD2 3.31Å; T40-D81 WeakPolarHBondContact CA-OD2 3.47Å; T40-D81 VanDerWaalsContact CB-OD2 3.26Å; T40-D81 WeakPolarHBondContact CB-OD2 3.06Å; T40-D81 PolarHBondContact N-OD1 2.91Å; T40-D81 PolarHBondContact OG1-OD2 2.89Å |
| 41 | C | 94.1 | Very high | 92.4 | Very high | 13 Ų | 13 | 28.4 Ų | 28.4 | 9% | 0.088 | 18% | 0.178 | C | C | . | . | H | α-helix | trans | -66.2 | -40.9 | 177.8 | -55.8 | 0 | 0 | 0 | 0 | 111.8 | G38 K39 R45 F51 P52 A172 | G38-C41 WeakPolarHBondContact O-CB 3.45Å; G38-C41 PolarHBondContact O-N 3.01Å; G38-C41 VanDerWaalsContact O-N 3.13Å; K39-C41 VanDerWaalsContact C-N 3.28Å; K39-C41 PolarHBondContact O-N 2.66Å; C41-R45 WeakPolarHBondContact O-CB 3.36Å; C41-R45 PolarHBondContact O-N 3.23Å; C41-F51 HydrophobicContact CB-CD2 4.32Å; C41-F51 HydrophobicContact CB-CE2 3.7Å; C41-F51 HydrophobicContact CB-CZ 4.43Å; C41-P52 HydrophobicContact CB-CG 4.4Å; C41-A172 HydrophobicContact CB-CB 3.53Å |
| 42 | L | 94.5 | Very high | 91.9 | Very high | 4 Ų | 4 | 29 Ų | 29 | 2% | 0.021 | 18% | 0.182 | C | C | . | . | H | α-helix | trans | -66.1 | -48.8 | 178.1 | -73.8 | 169.7 | 0 | 0 | 0 | 111.6 | G38 K39 F44 R45 F46 V106 V139 N141 T170 A172 V189 | G38-L42 WeakPolarHBondContact O-CG 3.37Å; G38-L42 PolarHBondContact O-N 3.29Å; K39-L42 PolarHBondContact O-N 3.5Å; K39-L42 VanDerWaalsContact O-N 3.12Å; L42-F44 VanDerWaalsContact C-N 3.34Å; L42-F44 PolarHBondContact O-N 2.81Å; L42-R45 PolarHBondContact O-N 3.22Å; L42-F46 PolarHBondContact O-N 3.45Å; L42-V106 HydrophobicContact CD1-CG1 3.8Å; L42-V106 HydrophobicContact CD1-CG2 4.11Å; L42-V139 HydrophobicContact CD1-CG1 4.16Å; L42-N141 HydrophobicContact CD1-CB 4.23Å; L42-T170 HydrophobicContact CD2-CG2 3.75Å; L42-A172 HydrophobicContact CD2-CB 3.86Å; L42-A172 HydrophobicContact CG-CB 4.09Å; L42-V189 HydrophobicContact CD2-CG1 4.26Å; L42-V189 HydrophobicContact CD2-CG2 3.84Å |
| 43 | T | 94.8 | Very high | 91.3 | Very high | 0 Ų | 0 | 37.4 Ų | 37.4 | 0% | 0 | 22% | 0.221 | C | C | . | . | H | α-helix | trans | -65.1 | -40.3 | 179.5 | 59.8 | 0 | 0 | 0 | 0 | 111.2 | V31 K39 T40 C47 L79 D81 | V31-T43 HydrophobicContact CB-CG2 4.25Å; V31-T43 HydrophobicContact CG2-CG2 3.66Å; K39-T43 WeakPolarHBondContact O-CG2 3.24Å; K39-T43 PolarHBondContact O-N 2.91Å; K39-T43 PolarHBondContact O-OG1 3.24Å; T40-T43 PolarHBondContact O-OG1 3.17Å; T43-C47 WeakPolarHBondContact O-CB 3.34Å; T43-C47 PolarHBondContact O-N 3.2Å; T43-C47 PolarHBondContact O-SG 3.29Å; T43-L79 HydrophobicContact CG2-CB 4Å; T43-L79 HydrophobicContact CG2-CD1 3.95Å; T43-D81 HydrophobicContact CG2-CB 4.2Å |
| 44 | F | 92.9 | Very high | 90.7 | Very high | 28 Ų | 28 | 46.2 Ų | 46.2 | 12% | 0.123 | 26% | 0.259 | C | S | . | . | H | α-helix | trans | -64.6 | -45 | 174.5 | -170.8 | -84.5 | 0 | 0 | 0 | 111.7 | T40 L42 F46 C47 A48 R50 P52 R64 | T40-F44 WeakPolarHBondContact O-CB 3.42Å; T40-F44 PolarHBondContact O-N 2.8Å; L42-F44 VanDerWaalsContact C-N 3.34Å; L42-F44 PolarHBondContact O-N 2.81Å; F44-F46 VanDerWaalsContact C-N 3.34Å; F44-F46 PolarHBondContact O-N 3.35Å; F44-C47 PolarHBondContact O-N 3.14Å; F44-A48 HydrophobicContact CD1-CB 4.05Å; F44-A48 HydrophobicContact CE1-CB 3.72Å; F44-A48 HydrophobicContact CE2-CB 4.34Å; F44-A48 HydrophobicContact CZ-CB 3.85Å; F44-A48 WeakPolarHBondContact O-CA 3.46Å; F44-A48 VanDerWaalsContact O-CB 3.29Å; F44-A48 WeakPolarHBondContact O-CB 3.48Å; F44-A48 PolarHBondContact O-N 3Å; F44-R50 WeakPolarHBondContact CD1-O 3.24Å; F44-R50 HydrophobicContact CE1-CG 3.66Å; F44-R50 WeakPolarHBondContact CE1-O 3.48Å; F44-R50 HydrophobicContact CZ-CG 4.4Å; F44-P52 HydrophobicContact CD1-CB 4.06Å; F44-P52 HydrophobicContact CD1-CG 4.27Å; F44-P52 HydrophobicContact CE1-CB 4.24Å; F44-P52 HydrophobicContact CG-CB 4.27Å; F44-P52 HydrophobicContact CG-CG 4.44Å; F44-R64 VanDerWaalsContact CD2-CZ 3.49Å |
| 45 | R | 91.8 | Very high | 90.1 | Very high | 16 Ų | 16 | 48 Ų | 48 | 6% | 0.06 | 27% | 0.271 | C | S | . | . | H | α-helix | trans | -58.3 | -46.6 | 177.6 | 173.8 | 63.5 | 74.7 | 164.7 | 17.4 | 111.3 | C41 L42 G49 A172 V189 | C41-R45 WeakPolarHBondContact O-CB 3.36Å; C41-R45 PolarHBondContact O-N 3.23Å; L42-R45 PolarHBondContact O-N 3.22Å; R45-G49 PolarHBondContact NH1-O 2.67Å; R45-G49 WeakPolarHBondContact O-CA 3.29Å; R45-G49 PolarHBondContact O-N 3.22Å; R45-A172 PolarHBondContact NE-O 2.97Å; R45-A172 PolarHBondContact NH2-O 3.08Å; R45-V189 HydrophobicContact CB-CG1 4.27Å; R45-V189 HydrophobicContact CG-CB 4.06Å; R45-V189 HydrophobicContact CG-CG1 3.94Å; R45-V189 HydrophobicContact CG-CG2 4.12Å |
| 46 | F | 92.7 | Very high | 89.6 | Confident | 1 Ų | 1 | 53.2 Ų | 53.2 | 0% | 0.004 | 29% | 0.289 | C | S | . | . | H | α-helix | trans | -63.9 | -44.6 | 177.6 | 178.8 | -104.5 | 0 | 0 | 0 | 112.3 | L42 F44 R66 V68 I77 L79 V189 E190 F193 M194 | L42-F46 PolarHBondContact O-N 3.45Å; F44-F46 VanDerWaalsContact C-N 3.34Å; F44-F46 PolarHBondContact O-N 3.35Å; F46-R66 HydrophobicContact CE1-CB 4.12Å; F46-R66 VanDerWaalsContact O-CD 3.31Å; F46-R66 WeakPolarHBondContact O-CD 3.18Å; F46-R66 PolarHBondContact O-NH1 3.12Å; F46-V68 HydrophobicContact CZ-CG1 4.29Å; F46-I77 HydrophobicContact CE1-CB 4.35Å; F46-I77 HydrophobicContact CE1-CD1 4.07Å; F46-I77 HydrophobicContact CE1-CG2 4.05Å; F46-I77 HydrophobicContact CZ-CD1 3.74Å; F46-L79 HydrophobicContact CB-CD1 4.19Å; F46-L79 HydrophobicContact CD1-CD1 3.58Å; F46-L79 HydrophobicContact CD1-CG 4.38Å; F46-L79 HydrophobicContact CE1-CD1 4.4Å; F46-L79 HydrophobicContact CG-CD1 4.24Å; F46-V189 HydrophobicContact CB-CG1 4.21Å; F46-E190 WeakPolarHBondContact CD2-OE2 3.47Å; F46-E190 WeakPolarHBondContact CE2-OE2 3.42Å; F46-F193 HydrophobicContact CB-CD2 3.65Å; F46-F193 HydrophobicContact CB-CE2 3.93Å; F46-F193 HydrophobicContact CB-CG 4.4Å; F46-F193 HydrophobicContact CD1-CB 4.3Å; F46-F193 HydrophobicContact CD1-CD2 4.37Å; F46-F193 HydrophobicContact CD1-CG 4.3Å; F46-F193 HydrophobicContact CD2-CB 3.55Å; F46-F193 AromaticContact CD2-CD2 3.74Å; F46-F193 HydrophobicContact CD2-CD2 3.74Å; F46-F193 AromaticContact CD2-CG 3.95Å; F46-F193 HydrophobicContact CD2-CG 3.95Å; F46-F193 HydrophobicContact CE1-CB 4.18Å; F46-F193 HydrophobicContact CE2-CB 3.43Å; F46-F193 VanDerWaalsContact CE2-CB 3.43Å; F46-F193 HydrophobicContact CE2-CD2 4.5Å; F46-F193 HydrophobicContact CE2-CG 4.29Å; F46-F193 HydrophobicContact CG-CB 3.98Å; F46-F193 AromaticContact CG-CD2 3.64Å; F46-F193 HydrophobicContact CG-CD2 3.64Å; F46-F193 HydrophobicContact CG-CE2 4.35Å; F46-F193 AromaticContact CG-CG 3.94Å; F46-F193 HydrophobicContact CG-CG 3.94Å; F46-F193 HydrophobicContact CZ-CB 3.76Å; F46-M194 HydrophobicContact CE2-CG 4.46Å |
| 47 | C | 91.6 | Very high | 89.2 | Confident | 33 Ų | 33 | 53.6 Ų | 53.6 | 22% | 0.223 | 29% | 0.287 | C | S | . | . | H | α-helix | trans | -77.6 | -35.4 | -176.1 | -70.4 | 0 | 0 | 0 | 0 | 113.7 | T43 F44 R64 | T43-C47 WeakPolarHBondContact O-CB 3.34Å; T43-C47 PolarHBondContact O-N 3.2Å; T43-C47 PolarHBondContact O-SG 3.29Å; F44-C47 PolarHBondContact O-N 3.14Å; C47-R64 HydrophobicContact CB-CB 4.3Å; C47-R64 VanDerWaalsContact SG-CB 3.6Å |
| 48 | A | 88.4 | Confident | 88.4 | Confident | 48 Ų | 48 | 54.8 Ų | 54.8 | 40% | 0.397 | 29% | 0.294 | S | S | . | . | H | α-helix | trans | -111.9 | -4.4 | -170.9 | 0 | 0 | 0 | 0 | 0 | 114.2 | F44 R50 | F44-A48 HydrophobicContact CD1-CB 4.05Å; F44-A48 HydrophobicContact CE1-CB 3.72Å; F44-A48 HydrophobicContact CE2-CB 4.34Å; F44-A48 HydrophobicContact CZ-CB 3.85Å; F44-A48 WeakPolarHBondContact O-CA 3.46Å; F44-A48 VanDerWaalsContact O-CB 3.29Å; F44-A48 WeakPolarHBondContact O-CB 3.48Å; F44-A48 PolarHBondContact O-N 3Å; A48-R50 HydrophobicContact CB-CG 4.44Å; A48-R50 PolarHBondContact O-N 2.73Å |
| 49 | G | 85.8 | Confident | 87.8 | Confident | 42 Ų | 42 | 60.7 Ų | 60.7 | 43% | 0.433 | 32% | 0.321 | S | S | . | . | S | Bend | trans | 69.7 | -4.8 | 179.4 | 0 | 0 | 0 | 0 | 0 | 115.4 | R45 | R45-G49 PolarHBondContact NH1-O 2.67Å; R45-G49 WeakPolarHBondContact O-CA 3.29Å; R45-G49 PolarHBondContact O-N 3.22Å |
| 50 | R | 84.7 | Confident | 87.1 | Confident | 129 Ų | 129 | 60.6 Ų | 60.6 | 49% | 0.487 | 32% | 0.323 | S | S | . | . | S | Bend | trans | -126.2 | 161.8 | -175.4 | 73.8 | -169.5 | 175.4 | 89.1 | -8.3 | 111.8 | F44 A48 | F44-R50 WeakPolarHBondContact CD1-O 3.24Å; F44-R50 HydrophobicContact CE1-CG 3.66Å; F44-R50 WeakPolarHBondContact CE1-O 3.48Å; F44-R50 HydrophobicContact CZ-CG 4.4Å; A48-R50 HydrophobicContact CB-CG 4.44Å; A48-R50 PolarHBondContact O-N 2.73Å |
| 51 | F | 85.9 | Confident | 86.6 | Confident | 73 Ų | 73 | 60.9 Ų | 60.9 | 32% | 0.32 | 32% | 0.324 | S | S | . | . | trans | -79.4 | 140.6 | 170.8 | -166.6 | -107.8 | 0 | 0 | 0 | 110 | C41 A172 K173 | C41-F51 HydrophobicContact CB-CD2 4.32Å; C41-F51 HydrophobicContact CB-CE2 3.7Å; C41-F51 HydrophobicContact CB-CZ 4.43Å; F51-A172 HydrophobicContact CD2-CB 4.37Å; F51-A172 VanDerWaalsContact CD2-O 3.27Å; F51-A172 WeakPolarHBondContact CD2-O 3.42Å; F51-A172 HydrophobicContact CE2-CB 4.13Å; F51-K173 VanDerWaalsContact CD2-CA 3.5Å; F51-K173 HydrophobicContact CD2-CB 4.1Å; F51-K173 HydrophobicContact CD2-CG 4.45Å; F51-K173 HydrophobicContact CE1-CG 4.31Å; F51-K173 HydrophobicContact CE2-CB 3.75Å; F51-K173 HydrophobicContact CE2-CG 4.22Å; F51-K173 HydrophobicContact CZ-CB 4.1Å; F51-K173 HydrophobicContact CZ-CG 4.15Å | ||
| 52 | P | 85.4 | Confident | 86.3 | Confident | 12 Ų | 12 | 62.9 Ų | 62.9 | 8% | 0.078 | 33% | 0.334 | C | S | . | . | trans | -67.3 | 135.9 | 174 | 27.3 | -34.2 | 0 | 0 | 0 | 111.2 | C41 F44 K54 T55 | C41-P52 HydrophobicContact CB-CG 4.4Å; F44-P52 HydrophobicContact CD1-CB 4.06Å; F44-P52 HydrophobicContact CD1-CG 4.27Å; F44-P52 HydrophobicContact CE1-CB 4.24Å; F44-P52 HydrophobicContact CG-CB 4.27Å; F44-P52 HydrophobicContact CG-CG 4.44Å; P52-K54 VanDerWaalsContact C-N 3.33Å; P52-T55 HydrophobicContact CB-CG2 3.89Å; P52-T55 HydrophobicContact CG-CG2 3.42Å; P52-T55 VanDerWaalsContact CG-CG2 3.42Å | ||
| 53 | E | 81.5 | Confident | 86 | Confident | 176 Ų | 176 | 66.8 Ų | 66.8 | 82% | 0.822 | 35% | 0.351 | S | S | * | . | S | Bend | trans | -69.2 | -32.7 | 178.6 | -68.9 | 173.2 | -160.1 | 0 | 0 | 112.7 | ||
| 54 | K | 82.5 | Confident | 85.9 | Confident | 185 Ų | 185 | 69.8 Ų | 69.8 | 80% | 0.804 | 36% | 0.362 | S | S | * | . | trans | -138.1 | 135.7 | 175.7 | -63.9 | -178.2 | -177.2 | 178.2 | 0 | 108.4 | P52 | P52-K54 VanDerWaalsContact C-N 3.33Š| ||
| 55 | T | 81.7 | Confident | 86 | Confident | 75 Ų | 75 | 72.9 Ų | 72.9 | 46% | 0.46 | 38% | 0.377 | S | S | . | . | trans | -122.3 | 121.6 | 171.3 | 42 | 0 | 0 | 0 | 0 | 109.2 | P52 | P52-T55 HydrophobicContact CB-CG2 3.89Å; P52-T55 HydrophobicContact CG-CG2 3.42Å; P52-T55 VanDerWaalsContact CG-CG2 3.42Å | ||
| 56 | E | 81.4 | Confident | 86.1 | Confident | 175 Ų | 175 | 75.6 Ų | 75.6 | 82% | 0.818 | 39% | 0.387 | S | S | * | . | P | Polyproline II helix | trans | -95.3 | 163.4 | 170.5 | -61.7 | -173.2 | 159.1 | 0 | 0 | 109.7 | T58 | E56-T58 PolarHBondContact O-N 2.87Š|
| 57 | A | 83.4 | Confident | 86.2 | Confident | 63 Ų | 63 | 80.3 Ų | 80.3 | 52% | 0.521 | 41% | 0.412 | S | S | . | . | P | Polyproline II helix | trans | -64.6 | 124 | 175.6 | 0 | 0 | 0 | 0 | 0 | 109.8 | I59 | A57-I59 PolarHBondContact O-N 3.05Š|
| 58 | T | 80 | Confident | 86.4 | Confident | 27 Ų | 27 | 79.2 Ų | 79.2 | 17% | 0.166 | 40% | 0.404 | C | S | . | . | P | Polyproline II helix | trans | -59.5 | 124.5 | 175.3 | -45.9 | 0 | 0 | 0 | 0 | 109.9 | T40 E56 D62 D81 A83 | T40-T58 PolarHBondContact OG1-OG1 2.82Å; T40-T58 VanDerWaalsContact OG1-OG1 3.06Å; E56-T58 PolarHBondContact O-N 2.87Å; T58-D62 HydrophobicContact CG2-CB 4.19Å; T58-D81 PolarHBondContact OG1-OD2 3.09Å; T58-A83 WeakPolarHBondContact O-CB 3.09Å |
| 59 | I | 80.3 | Confident | 86.6 | Confident | 137 Ų | 137 | 83 Ų | 83 | 70% | 0.703 | 41% | 0.414 | S | S | * | . | trans | -97.6 | 115.4 | 173.2 | -58.2 | 176 | 0 | 0 | 0 | 107.3 | A57 V61 | A57-I59 PolarHBondContact O-N 3.05Å; I59-V61 PolarHBondContact O-N 2.86Å | ||
| 60 | G | 80.4 | Confident | 86.9 | Confident | 6 Ų | 6 | 81.1 Ų | 81.1 | 6% | 0.062 | 39% | 0.394 | C | S | . | . | S | Bend | trans | 73.4 | -108.4 | -177.2 | 0 | 0 | 0 | 0 | 0 | 112.5 | A83 F88 | G60-A83 VanDerWaalsContact O-CB 3.29Å; G60-A83 WeakPolarHBondContact O-CB 3.39Å; G60-A83 PolarHBondContact O-N 3.03Å; G60-F88 WeakPolarHBondContact CA-O 3.47Å |
| 61 | V | 84.3 | Confident | 87.1 | Confident | 36 Ų | 36 | 80.8 Ų | 80.8 | 22% | 0.218 | 40% | 0.402 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -143.1 | 131.5 | -177.6 | 65.7 | 0 | 0 | 0 | 0 | 110.6 | I59 W80 D81 T82 M92 | I59-V61 PolarHBondContact O-N 2.86Å; V61-W80 HydrophobicContact CG2-CB 4.35Å; V61-W80 HydrophobicContact CG2-CE3 3.84Å; V61-D81 CarbonylContact C-O 3.57Å; V61-D81 VanDerWaalsContact CA-O 3.32Å; V61-D81 WeakPolarHBondContact CA-O 3.22Å; V61-D81 WeakPolarHBondContact CG2-O 3.38Å; V61-T82 HydrophobicContact CG2-CG2 4.41Å; V61-M92 HydrophobicContact CG1-CE 3.83Å; V61-M92 HydrophobicContact CG1-SD 4.19Å |
| 62 | D | 88.7 | Confident | 87.3 | Confident | 55 Ų | 55 | 80.5 Ų | 80.5 | 29% | 0.294 | 42% | 0.419 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.1 | 144.9 | 170.8 | -172.4 | 22.6 | 0 | 0 | 0 | 109.5 | T58 R64 D81 | T58-D62 HydrophobicContact CG2-CB 4.19Å; D62-R64 IonicContact OD2-CZ 3.71Å; D62-R64 IonicContact OD2-NE 3.57Å; D62-R64 PolarHBondContact OD2-NE 2.73Å; D62-R64 IonicContact OD2-NH2 3Å; D62-R64 PolarHBondContact OD2-NH2 2.86Å; D62-D81 HydrophobicContact CB-CB 4.25Å; D62-D81 PolarHBondContact N-O 2.96Å; D62-D81 PolarHBondContact O-N 3.32Å |
| 63 | F | 88.1 | Confident | 87.6 | Confident | 85 Ų | 85 | 82.4 Ų | 82.4 | 37% | 0.373 | 43% | 0.427 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.2 | 125.8 | -173.9 | 171.6 | -95 | 0 | 0 | 0 | 110.1 | E65 Q78 W80 | F63-E65 HydrophobicContact CE1-CB 4.29Å; F63-E65 HydrophobicContact CE1-CG 4.22Å; F63-E65 HydrophobicContact CZ-CB 4.12Å; F63-E65 HydrophobicContact CZ-CG 4.45Å; F63-Q78 HydrophobicContact CE2-CB 3.73Å; F63-Q78 VanDerWaalsContact CE2-CD 3.5Å; F63-Q78 HydrophobicContact CE2-CG 3.61Å; F63-Q78 HydrophobicContact CZ-CB 4.26Å; F63-Q78 HydrophobicContact CZ-CG 3.66Å; F63-W80 HydrophobicContact CD2-CD2 4.34Å; F63-W80 AromaticContact CD2-CE2 3.81Å; F63-W80 HydrophobicContact CD2-CZ2 4.16Å; F63-W80 AromaticContact CD2-NE1 3.67Å; F63-W80 HydrophobicContact CE2-CZ2 4.4Å; F63-W80 AromaticContact CE2-NE1 3.72Å |
| 64 | R | 93.1 | Very high | 88.1 | Confident | 64 Ų | 64 | 80.1 Ų | 80.1 | 24% | 0.242 | 41% | 0.414 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.6 | 143.2 | 176.2 | -60.4 | -179.8 | 178.7 | -76.7 | -18.5 | 109.9 | F44 C47 D62 Q78 L79 | F44-R64 VanDerWaalsContact CD2-CZ 3.49Å; C47-R64 HydrophobicContact CB-CB 4.3Å; C47-R64 VanDerWaalsContact SG-CB 3.6Å; D62-R64 IonicContact OD2-CZ 3.71Å; D62-R64 IonicContact OD2-NE 3.57Å; D62-R64 PolarHBondContact OD2-NE 2.73Å; D62-R64 IonicContact OD2-NH2 3Å; D62-R64 PolarHBondContact OD2-NH2 2.86Å; R64-Q78 CarbonylContact O-C 3.59Å; R64-Q78 WeakPolarHBondContact O-CA 3.41Å; R64-L79 PolarHBondContact N-O 3.33Å; R64-L79 PolarHBondContact O-N 2.82Å |
| 65 | E | 95.1 | Very high | 88.7 | Confident | 93 Ų | 93 | 71.3 Ų | 71.3 | 44% | 0.435 | 38% | 0.376 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.9 | 146.9 | 174.2 | 61.8 | 175 | -133.6 | 0 | 0 | 112 | F63 K76 I77 Q78 | F63-E65 HydrophobicContact CE1-CB 4.29Å; F63-E65 HydrophobicContact CE1-CG 4.22Å; F63-E65 HydrophobicContact CZ-CB 4.12Å; F63-E65 HydrophobicContact CZ-CG 4.45Å; E65-K76 HydrophobicContact CB-CG 4.33Å; E65-K76 VanDerWaalsContact CD-NZ 3.3Å; E65-K76 IonicContact OE1-NZ 3.89Å; E65-K76 PolarHBondContact OE1-NZ 3.03Å; E65-K76 WeakPolarHBondContact OE2-CD 3.2Å; E65-K76 IonicContact OE2-NZ 4Å; E65-K76 PolarHBondContact OE2-NZ 3.18Å; E65-K76 VanDerWaalsContact OE2-NZ 3.12Å; E65-I77 CarbonylContact C-O 3.56Å; E65-I77 WeakPolarHBondContact CA-O 3.37Å; E65-Q78 HydrophobicContact CB-CG 4.24Å |
| 66 | R | 94.1 | Very high | 89.4 | Confident | 73 Ų | 73 | 70.3 Ų | 70.3 | 28% | 0.275 | 37% | 0.365 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.6 | 129.9 | 171.9 | -177.9 | 171.1 | 171.2 | -156.6 | -12 | 109 | F46 V68 I77 E190 | F46-R66 HydrophobicContact CE1-CB 4.12Å; F46-R66 VanDerWaalsContact O-CD 3.31Å; F46-R66 WeakPolarHBondContact O-CD 3.18Å; F46-R66 PolarHBondContact O-NH1 3.12Å; R66-V68 HydrophobicContact CG-CG1 4.08Å; R66-I77 PolarHBondContact N-O 3.37Å; R66-I77 PolarHBondContact O-N 3.31Å; R66-E190 IonicContact CZ-OE1 2.72Å; R66-E190 VanDerWaalsContact CZ-OE1 3.26Å; R66-E190 IonicContact CZ-OE2 2.67Å; R66-E190 VanDerWaalsContact NH1-CD 3.26Å; R66-E190 IonicContact NH1-OE1 3.87Å; R66-E190 PolarHBondContact NH1-OE1 3.47Å; R66-E190 IonicContact NH1-OE2 3.44Å; R66-E190 PolarHBondContact NH1-OE2 3.18Å; R66-E190 IonicContact NH2-OE1 3.66Å; R66-E190 PolarHBondContact NH2-OE1 3.45Å; R66-E190 IonicContact NH2-OE2 2.82Å |
| 67 | L | 94.8 | Very high | 90.1 | Very high | 99 Ų | 99 | 62 Ų | 62 | 52% | 0.518 | 33% | 0.326 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -82.1 | 125.1 | 170.2 | -167.8 | 71.5 | 0 | 0 | 0 | 108.2 | T24 K74 K76 | T24-L67 HydrophobicContact CG2-CD1 3.91Å; L67-K74 HydrophobicContact CD1-CB 4.29Å; L67-K74 HydrophobicContact CD2-CD 4.36Å; L67-K76 HydrophobicContact CD1-CB 4.25Å |
| 68 | V | 94.1 | Very high | 90.7 | Very high | 11 Ų | 11 | 60.4 Ų | 60.4 | 7% | 0.067 | 31% | 0.308 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.7 | 157.8 | 176.2 | -60.3 | 0 | 0 | 0 | 0 | 109.5 | F46 R66 I70 K74 I75 I77 M194 | F46-V68 HydrophobicContact CZ-CG1 4.29Å; R66-V68 HydrophobicContact CG-CG1 4.08Å; V68-I70 HydrophobicContact CG2-CD1 3.95Å; V68-I70 HydrophobicContact CG2-CG1 4.02Å; V68-K74 WeakPolarHBondContact O-CA 3.3Å; V68-I75 HydrophobicContact CG2-CB 4.34Å; V68-I75 WeakPolarHBondContact CG2-O 3.19Å; V68-I75 PolarHBondContact N-O 3Å; V68-I75 PolarHBondContact O-N 2.95Å; V68-I77 HydrophobicContact CB-CD1 4.41Å; V68-I77 HydrophobicContact CG1-CD1 3.96Å; V68-I77 HydrophobicContact CG2-CD1 3.55Å; V68-I77 HydrophobicContact CG2-CG1 3.95Å; V68-M194 HydrophobicContact CB-CE 4.48Å; V68-M194 HydrophobicContact CB-SD 4.23Å; V68-M194 HydrophobicContact CG1-SD 4.03Å; V68-M194 HydrophobicContact CG2-SD 4.42Å |
| 69 | E | 93.2 | Very high | 91.4 | Very high | 127 Ų | 127 | 59.1 Ų | 59.1 | 59% | 0.593 | 30% | 0.3 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -111.4 | 122.9 | 172.9 | -168.6 | 171.7 | 146.9 | 0 | 0 | 108.8 | E73 | E69-E73 WeakPolarHBondContact CA-O 3.22Å |
| 70 | I | 91.8 | Very high | 92.1 | Very high | 2 Ų | 2 | 55.1 Ų | 55.1 | 1% | 0.01 | 28% | 0.276 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128 | 120 | -178.3 | -61.3 | -177.6 | 0 | 0 | 0 | 106.9 | V68 G72 E73 I75 M194 A197 H198 K201 | V68-I70 HydrophobicContact CG2-CD1 3.95Å; V68-I70 HydrophobicContact CG2-CG1 4.02Å; I70-G72 VanDerWaalsContact C-N 3.28Å; I70-G72 PolarHBondContact O-N 3.01Å; I70-E73 PolarHBondContact N-O 3.33Å; I70-E73 PolarHBondContact O-N 3.41Å; I70-I75 HydrophobicContact CB-CD1 4.2Å; I70-I75 HydrophobicContact CD1-CD1 4.36Å; I70-M194 HydrophobicContact CD1-CE 4.05Å; I70-M194 HydrophobicContact CG1-CE 3.81Å; I70-A197 HydrophobicContact CD1-CB 3.43Å; I70-A197 VanDerWaalsContact CD1-CB 3.43Å; I70-H198 VanDerWaalsContact CG2-CE1 3.42Å; I70-H198 WeakPolarHBondContact CG2-CE1 3.23Å; I70-H198 WeakPolarHBondContact CG2-ND1 3.23Å; I70-K201 HydrophobicContact CB-CD 4.11Å; I70-K201 HydrophobicContact CG2-CD 3.5Å; I70-K201 PolarHBondContact O-NZ 3.11Å |
| 71 | D | 90.4 | Very high | 92.6 | Very high | 123 Ų | 123 | 54.9 Ų | 54.9 | 66% | 0.658 | 27% | 0.274 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 37.2 | 54.2 | -172.6 | -21.6 | -63.9 | 0 | 0 | 0 | 113.4 | E73 H198 K201 | D71-E73 PolarHBondContact O-N 3.42Å; D71-H198 IonicContact OD1-CE1 3.88Å; D71-K201 PolarHBondContact O-NZ 2.88Å; D71-K201 IonicContact OD2-NZ 3.26Å; D71-K201 PolarHBondContact OD2-NZ 3.37Å |
| 72 | G | 89.4 | Confident | 92.8 | Very high | 66 Ų | 66 | 53.2 Ų | 53.2 | 68% | 0.68 | 26% | 0.263 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 74.1 | 0.8 | 177.8 | 0 | 0 | 0 | 0 | 0 | 116 | I70 | I70-G72 VanDerWaalsContact C-N 3.28Å; I70-G72 PolarHBondContact O-N 3.01Å |
| 73 | E | 91.4 | Very high | 92.6 | Very high | 52 Ų | 52 | 50.6 Ų | 50.6 | 24% | 0.243 | 25% | 0.249 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -102.4 | 127.2 | 175.6 | -172.2 | 177.7 | -177.7 | 0 | 0 | 110.6 | R25 E69 I70 D71 I75 K201 | R25-E73 WeakPolarHBondContact CD-OE1 3.44Å; R25-E73 WeakPolarHBondContact CG-OE1 3.37Å; R25-E73 IonicContact CZ-OE1 3.12Å; R25-E73 IonicContact CZ-OE2 2.76Å; R25-E73 IonicContact NE-OE1 3.34Å; R25-E73 PolarHBondContact NE-OE1 2.85Å; E69-E73 WeakPolarHBondContact CA-O 3.22Å; I70-E73 PolarHBondContact N-O 3.33Å; I70-E73 PolarHBondContact O-N 3.41Å; D71-E73 PolarHBondContact O-N 3.42Å; E73-I75 HydrophobicContact CB-CG1 4.44Å; E73-I75 HydrophobicContact CG-CD1 4.49Å; E73-I75 HydrophobicContact CG-CG1 4.02Å; E73-I75 PolarHBondContact O-N 2.83Å; E73-K201 WeakPolarHBondContact OE2-CE 3.29Å |
| 74 | K | 93 | Very high | 91.8 | Very high | 128 Ų | 128 | 47.1 Ų | 47.1 | 56% | 0.557 | 24% | 0.237 | S | C | * | . | E | Extended strand (participates in β ladder) | trans | -77.2 | 117.6 | 171.4 | -68.1 | -177.5 | 179.5 | -179.1 | 0 | 109.7 | L67 V68 | L67-K74 HydrophobicContact CD1-CB 4.29Å; L67-K74 HydrophobicContact CD2-CD 4.36Å; V68-K74 WeakPolarHBondContact O-CA 3.3Å |
| 75 | I | 94.6 | Very high | 90.6 | Very high | 0 Ų | 0 | 47.1 Ų | 47.1 | 0% | 0 | 24% | 0.24 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.6 | 133.6 | -178 | -60.7 | -179.8 | 0 | 0 | 0 | 108.8 | F27 V68 I70 E73 K201 | F27-I75 HydrophobicContact CD2-CG2 3.48Å; F27-I75 VanDerWaalsContact CD2-CG2 3.48Å; F27-I75 HydrophobicContact CE2-CD1 3.81Å; F27-I75 HydrophobicContact CE2-CG2 3.64Å; F27-I75 HydrophobicContact CG-CG2 4.08Å; F27-I75 HydrophobicContact CZ-CD1 4.23Å; F27-I75 HydrophobicContact CZ-CG2 4.34Å; V68-I75 HydrophobicContact CG2-CB 4.34Å; V68-I75 WeakPolarHBondContact CG2-O 3.19Å; V68-I75 PolarHBondContact N-O 3Å; V68-I75 PolarHBondContact O-N 2.95Å; I70-I75 HydrophobicContact CB-CD1 4.2Å; I70-I75 HydrophobicContact CD1-CD1 4.36Å; E73-I75 HydrophobicContact CB-CG1 4.44Å; E73-I75 HydrophobicContact CG-CD1 4.49Å; E73-I75 HydrophobicContact CG-CG1 4.02Å; E73-I75 PolarHBondContact O-N 2.83Å; I75-K201 HydrophobicContact CD1-CB 4.29Å; I75-K201 HydrophobicContact CD1-CD 3.9Å; I75-K201 HydrophobicContact CD1-CG 4.06Å |
| 76 | K | 95.6 | Very high | 89 | Confident | 54 Ų | 54 | 48.5 Ų | 48.5 | 24% | 0.235 | 25% | 0.247 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -92.3 | 112.9 | 174.8 | -179.5 | -178.9 | -75.6 | -146.6 | 0 | 109.4 | T24 R25 I26 F27 E65 L67 Q78 | T24-K76 HydrophobicContact CG2-CB 4.04Å; R25-K76 PolarHBondContact O-N 3.31Å; I26-K76 CarbonylContact C-O 3.57Å; I26-K76 VanDerWaalsContact CA-O 3.3Å; I26-K76 WeakPolarHBondContact CA-O 3.31Å; I26-K76 HydrophobicContact CD1-CD 4.37Å; I26-K76 HydrophobicContact CG1-CB 4.28Å; I26-K76 HydrophobicContact CG1-CD 4.31Å; F27-K76 PolarHBondContact N-O 3.47Å; E65-K76 HydrophobicContact CB-CG 4.33Å; E65-K76 VanDerWaalsContact CD-NZ 3.3Å; E65-K76 IonicContact OE1-NZ 3.89Å; E65-K76 PolarHBondContact OE1-NZ 3.03Å; E65-K76 WeakPolarHBondContact OE2-CD 3.2Å; E65-K76 IonicContact OE2-NZ 4Å; E65-K76 PolarHBondContact OE2-NZ 3.18Å; E65-K76 VanDerWaalsContact OE2-NZ 3.12Å; L67-K76 HydrophobicContact CD1-CB 4.25Å; K76-Q78 HydrophobicContact CD-CG 4.41Å; K76-Q78 HydrophobicContact CG-CG 4.31Å |
| 77 | I | 96.4 | Very high | 87.4 | Confident | 0 Ų | 0 | 54 Ų | 54 | 0% | 0 | 27% | 0.268 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.7 | 127.9 | 170.6 | -64.3 | 169.9 | 0 | 0 | 0 | 108.1 | I29 F46 E65 R66 V68 L79 A197 | I29-I77 HydrophobicContact CD1-CG2 3.83Å; I29-I77 HydrophobicContact CG1-CG2 4.46Å; F46-I77 HydrophobicContact CE1-CB 4.35Å; F46-I77 HydrophobicContact CE1-CD1 4.07Å; F46-I77 HydrophobicContact CE1-CG2 4.05Å; F46-I77 HydrophobicContact CZ-CD1 3.74Å; E65-I77 CarbonylContact C-O 3.56Å; E65-I77 WeakPolarHBondContact CA-O 3.37Å; R66-I77 PolarHBondContact N-O 3.37Å; R66-I77 PolarHBondContact O-N 3.31Å; V68-I77 HydrophobicContact CB-CD1 4.41Å; V68-I77 HydrophobicContact CG1-CD1 3.96Å; V68-I77 HydrophobicContact CG2-CD1 3.55Å; V68-I77 HydrophobicContact CG2-CG1 3.95Å; I77-L79 HydrophobicContact CG2-CD2 3.72Å; I77-L79 HydrophobicContact CG2-CG 4.16Å; I77-A197 HydrophobicContact CD1-CB 3.65Å; I77-A197 HydrophobicContact CG1-CB 4.26Å |
| 78 | Q | 95.7 | Very high | 85.8 | Confident | 31 Ų | 31 | 53.2 Ų | 53.2 | 15% | 0.145 | 26% | 0.26 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.4 | 111.2 | 175.4 | -74.8 | -173.5 | -14 | 0 | 0 | 109.3 | I26 F27 I29 F63 R64 E65 K76 | I26-Q78 HydrophobicContact CG2-CB 4.34Å; I26-Q78 HydrophobicContact CG2-CG 3.66Å; F27-Q78 PolarHBondContact O-N 3.31Å; I29-Q78 PolarHBondContact N-O 3.45Å; F63-Q78 HydrophobicContact CE2-CB 3.73Å; F63-Q78 VanDerWaalsContact CE2-CD 3.5Å; F63-Q78 HydrophobicContact CE2-CG 3.61Å; F63-Q78 HydrophobicContact CZ-CB 4.26Å; F63-Q78 HydrophobicContact CZ-CG 3.66Å; R64-Q78 CarbonylContact O-C 3.59Å; R64-Q78 WeakPolarHBondContact O-CA 3.41Å; E65-Q78 HydrophobicContact CB-CG 4.24Å; K76-Q78 HydrophobicContact CD-CG 4.41Å; K76-Q78 HydrophobicContact CG-CG 4.31Å |
| 79 | L | 95.6 | Very high | 84.4 | Confident | 0 Ų | 0 | 53.5 Ų | 53.5 | 0% | 0 | 26% | 0.26 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.2 | 122.6 | 175.7 | -58.6 | -172.3 | 0 | 0 | 0 | 109.8 | I29 T43 F46 R64 I77 F193 | I29-L79 HydrophobicContact CB-CD2 3.86Å; I29-L79 HydrophobicContact CD1-CD2 4.14Å; I29-L79 HydrophobicContact CG1-CD2 4.43Å; I29-L79 HydrophobicContact CG2-CD2 4.28Å; I29-L79 WeakPolarHBondContact O-CA 3.41Å; T43-L79 HydrophobicContact CG2-CB 4Å; T43-L79 HydrophobicContact CG2-CD1 3.95Å; F46-L79 HydrophobicContact CB-CD1 4.19Å; F46-L79 HydrophobicContact CD1-CD1 3.58Å; F46-L79 HydrophobicContact CD1-CG 4.38Å; F46-L79 HydrophobicContact CE1-CD1 4.4Å; F46-L79 HydrophobicContact CG-CD1 4.24Å; R64-L79 PolarHBondContact N-O 3.33Å; R64-L79 PolarHBondContact O-N 2.82Å; I77-L79 HydrophobicContact CG2-CD2 3.72Å; I77-L79 HydrophobicContact CG2-CG 4.16Å; L79-F193 HydrophobicContact CD1-CD1 4.35Å; L79-F193 HydrophobicContact CD1-CE1 4.03Å; L79-F193 HydrophobicContact CD1-CZ 4.12Å; L79-F193 HydrophobicContact CD2-CD1 3.76Å; L79-F193 HydrophobicContact CD2-CE1 3.63Å; L79-F193 HydrophobicContact CD2-CZ 4.49Å |
| 80 | W | 93.9 | Very high | 83.1 | Confident | 53 Ų | 53 | 55 Ų | 55 | 20% | 0.201 | 27% | 0.265 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.1 | 97.2 | 176.7 | -71.4 | 64.6 | 0 | 0 | 0 | 108.4 | K28 I29 I30 V31 V61 F63 | K28-W80 HydrophobicContact CD-CD2 4.41Å; K28-W80 HydrophobicContact CD-CZ2 4.19Å; K28-W80 VanDerWaalsContact CE-CE2 3.42Å; K28-W80 HydrophobicContact CG-CG 4.37Å; I29-W80 PolarHBondContact O-N 2.87Å; I30-W80 HydrophobicContact CB-CB 4.49Å; I30-W80 HydrophobicContact CG2-CB 3.82Å; I30-W80 HydrophobicContact CG2-CG 4.37Å; V31-W80 PolarHBondContact N-O 2.96Å; V61-W80 HydrophobicContact CG2-CB 4.35Å; V61-W80 HydrophobicContact CG2-CE3 3.84Å; F63-W80 HydrophobicContact CD2-CD2 4.34Å; F63-W80 AromaticContact CD2-CE2 3.81Å; F63-W80 HydrophobicContact CD2-CZ2 4.16Å; F63-W80 AromaticContact CD2-NE1 3.67Å; F63-W80 HydrophobicContact CE2-CZ2 4.4Å; F63-W80 AromaticContact CE2-NE1 3.72Å |
| 81 | D | 91.8 | Very high | 82 | Confident | 1 Ų | 1 | 59.8 Ų | 59.8 | 1% | 0.005 | 30% | 0.298 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -80.5 | 113.5 | 177.7 | 177.1 | 37.3 | 0 | 0 | 0 | 110 | K39 T40 T43 T58 V61 D62 | K39-D81 WeakPolarHBondContact CB-OD1 3.12Å; T40-D81 VanDerWaalsContact CA-OD2 3.31Å; T40-D81 WeakPolarHBondContact CA-OD2 3.47Å; T40-D81 VanDerWaalsContact CB-OD2 3.26Å; T40-D81 WeakPolarHBondContact CB-OD2 3.06Å; T40-D81 PolarHBondContact N-OD1 2.91Å; T40-D81 PolarHBondContact OG1-OD2 2.89Å; T43-D81 HydrophobicContact CG2-CB 4.2Å; T58-D81 PolarHBondContact OG1-OD2 3.09Å; V61-D81 CarbonylContact C-O 3.57Å; V61-D81 VanDerWaalsContact CA-O 3.32Å; V61-D81 WeakPolarHBondContact CA-O 3.22Å; V61-D81 WeakPolarHBondContact CG2-O 3.38Å; D62-D81 HydrophobicContact CB-CB 4.25Å; D62-D81 PolarHBondContact N-O 2.96Å; D62-D81 PolarHBondContact O-N 3.32Å |
| 82 | T | 88.9 | Confident | 81.2 | Confident | 0 Ų | 0 | 57.1 Ų | 57.1 | 0% | 0 | 28% | 0.282 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.6 | 147.4 | -176 | 64.9 | 0 | 0 | 0 | 0 | 112.2 | V31 I32 K39 V61 G84 Y96 | V31-T82 PolarHBondContact O-N 2.97Å; V31-T82 PolarHBondContact O-OG1 2.88Å; I32-T82 HydrophobicContact CG2-CG2 4.01Å; K39-T82 WeakPolarHBondContact CE-O 3.3Å; K39-T82 PolarHBondContact NZ-O 3.46Å; V61-T82 HydrophobicContact CG2-CG2 4.41Å; T82-G84 PolarHBondContact O-N 2.88Å; T82-Y96 HydrophobicContact CG2-CD1 4.29Å; T82-Y96 HydrophobicContact CG2-CD2 3.94Å; T82-Y96 HydrophobicContact CG2-CE1 4.33Å; T82-Y96 HydrophobicContact CG2-CE2 4Å; T82-Y96 HydrophobicContact CG2-CG 4.1Å |
| 83 | A | 83.8 | Confident | 80.7 | Confident | 0 Ų | 0 | 54.9 Ų | 54.9 | 0% | 0 | 26% | 0.256 | C | S | . | . | trans | -62.2 | 132 | 172 | 0 | 0 | 0 | 0 | 0 | 111.3 | T58 G60 Q85 F88 R89 | T58-A83 WeakPolarHBondContact O-CB 3.09Å; G60-A83 VanDerWaalsContact O-CB 3.29Å; G60-A83 WeakPolarHBondContact O-CB 3.39Å; G60-A83 PolarHBondContact O-N 3.03Å; A83-Q85 VanDerWaalsContact C-N 3.31Å; A83-Q85 PolarHBondContact O-N 3.03Å; A83-F88 HydrophobicContact CB-CB 4Å; A83-R89 HydrophobicContact CB-CG 3.99Å; A83-R89 WeakPolarHBondContact O-CD 3.25Å; A83-R89 VanDerWaalsContact O-CG 3.24Å; A83-R89 WeakPolarHBondContact O-CG 3.32Å; A83-R89 PolarHBondContact O-NE 2.76Å | ||
| 84 | G | 70.9 | Confident | 80 | Confident | 12 Ų | 12 | 59.7 Ų | 59.7 | 12% | 0.124 | 28% | 0.278 | C | S | . | . | S | Bend | trans | -70.8 | -27.5 | 177.1 | 0 | 0 | 0 | 0 | 0 | 113.6 | G33 T82 R89 | G33-G84 WeakPolarHBondContact O-CA 3.37Å; T82-G84 PolarHBondContact O-N 2.88Å; G84-R89 PolarHBondContact O-NH2 3.24Å |
| 85 | Q | 68.6 | Low | 79.4 | Confident | 64 Ų | 64 | 59.6 Ų | 59.6 | 30% | 0.299 | 28% | 0.279 | S | S | . | . | S | Bend | trans | -80.3 | 125.3 | 179.2 | -69.9 | -166.7 | 41.9 | 0 | 0 | 111.7 | A83 R87 F88 | A83-Q85 VanDerWaalsContact C-N 3.31Å; A83-Q85 PolarHBondContact O-N 3.03Å; Q85-R87 PolarHBondContact O-N 3.43Å; Q85-R87 VanDerWaalsContact OE1-NH2 3.07Å; Q85-F88 HydrophobicContact CB-CD2 3.84Å; Q85-F88 HydrophobicContact CB-CE2 4.24Å; Q85-F88 PolarHBondContact O-N 2.86Å; Q85-F88 VanDerWaalsContact O-N 3.15Å |
| 86 | E | 60.7 | Low | 78.8 | Confident | 122 Ų | 122 | 59.7 Ų | 59.7 | 57% | 0.57 | 28% | 0.28 | S | S | * | . | H | α-helix | trans | -51.9 | -37.2 | 176.3 | 62.4 | -174.8 | 130.8 | 0 | 0 | 113.5 | F88 R89 K90 | E86-F88 PolarHBondContact O-N 2.79Å; E86-R89 PolarHBondContact O-N 3.29Å; E86-K90 PolarHBondContact O-N 3.03Å |
| 87 | R | 61 | Low | 78.4 | Confident | 189 Ų | 189 | 57.4 Ų | 57.4 | 71% | 0.713 | 27% | 0.27 | S | S | * | . | H | α-helix | trans | -61.6 | -29.9 | -177.6 | -69.2 | -174.6 | -68.4 | -172.6 | -2.1 | 112.9 | Q85 | Q85-R87 PolarHBondContact O-N 3.43Å; Q85-R87 VanDerWaalsContact OE1-NH2 3.07Å |
| 88 | F | 60.7 | Low | 77.9 | Confident | 83 Ų | 83 | 65.9 Ų | 65.9 | 36% | 0.364 | 30% | 0.302 | S | S | . | . | H | α-helix | trans | -93.7 | -6.8 | 179.2 | -55.6 | -47.8 | 0 | 0 | 0 | 113 | G60 A83 Q85 E86 | G60-F88 WeakPolarHBondContact CA-O 3.47Å; A83-F88 HydrophobicContact CB-CB 4Å; Q85-F88 HydrophobicContact CB-CD2 3.84Å; Q85-F88 HydrophobicContact CB-CE2 4.24Å; Q85-F88 PolarHBondContact O-N 2.86Å; Q85-F88 VanDerWaalsContact O-N 3.15Å; E86-F88 PolarHBondContact O-N 2.79Å |
| 89 | R | 64.4 | Low | 77.5 | Confident | 17 Ų | 17 | 70.1 Ų | 70.1 | 6% | 0.064 | 33% | 0.326 | C | S | . | . | H | α-helix | trans | -102.2 | -30.4 | -176.5 | -75 | -168.7 | -76.9 | 127.2 | 0.5 | 114.9 | A83 G84 E86 S91 M92 V93 W121 E124 | A83-R89 HydrophobicContact CB-CG 3.99Å; A83-R89 WeakPolarHBondContact O-CD 3.25Å; A83-R89 VanDerWaalsContact O-CG 3.24Å; A83-R89 WeakPolarHBondContact O-CG 3.32Å; A83-R89 PolarHBondContact O-NE 2.76Å; G84-R89 PolarHBondContact O-NH2 3.24Å; E86-R89 PolarHBondContact O-N 3.29Å; R89-S91 PolarHBondContact O-N 2.94Å; R89-M92 PolarHBondContact O-N 2.92Å; R89-V93 HydrophobicContact CB-CG2 4.32Å; R89-V93 WeakPolarHBondContact O-CG2 3.46Å; R89-V93 PolarHBondContact O-N 3.42Å; R89-V93 VanDerWaalsContact O-N 3.17Å; R89-W121 VanDerWaalsContact NE-CH2 3.34Å; R89-E124 IonicContact CZ-OE2 3.63Å; R89-E124 IonicContact NH1-OE1 3.05Å; R89-E124 PolarHBondContact NH1-OE1 3.12Å; R89-E124 IonicContact NH1-OE2 2.73Å; R89-E124 PolarHBondContact NH1-OE2 2.83Å |
| 90 | K | 67.5 | Low | 77.3 | Confident | 159 Ų | 159 | 70.7 Ų | 70.7 | 69% | 0.691 | 33% | 0.329 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -50.3 | -34.3 | -167.3 | -78.5 | -176.1 | -177.4 | -178.9 | 0 | 115.3 | E86 | E86-K90 PolarHBondContact O-N 3.03Š|
| 91 | S | 68.3 | Low | 77.3 | Confident | 102 Ų | 102 | 71.5 Ų | 71.5 | 71% | 0.713 | 34% | 0.335 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -85.6 | -15.3 | 178.3 | 54.1 | 0 | 0 | 0 | 0 | 114.8 | R89 | R89-S91 PolarHBondContact O-N 2.94Š|
| 92 | M | 73.4 | Confident | 77.4 | Confident | 66 Ų | 66 | 71.5 Ų | 71.5 | 33% | 0.325 | 34% | 0.335 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -109.7 | -10.1 | -172.3 | -58.8 | -156.8 | 80 | 0 | 0 | 114.2 | V61 R89 Q94 H95 Y96 | V61-M92 HydrophobicContact CG1-CE 3.83Å; V61-M92 HydrophobicContact CG1-SD 4.19Å; R89-M92 PolarHBondContact O-N 2.92Å; M92-Q94 PolarHBondContact O-N 2.94Å; M92-H95 WeakPolarHBondContact O-CB 3.28Å; M92-H95 PolarHBondContact O-N 2.94Å; M92-Y96 HydrophobicContact CB-CD1 4.33Å; M92-Y96 WeakPolarHBondContact O-CD1 3.37Å; M92-Y96 PolarHBondContact O-N 2.81Å |
| 93 | V | 77.9 | Confident | 77.7 | Confident | 20 Ų | 20 | 71.5 Ų | 71.5 | 12% | 0.121 | 34% | 0.335 | C | S | . | . | H | α-helix | trans | -48 | -53 | -175.1 | -168.3 | 0 | 0 | 0 | 0 | 113 | R89 H95 Y96 Y97 H128 | R89-V93 HydrophobicContact CB-CG2 4.32Å; R89-V93 WeakPolarHBondContact O-CG2 3.46Å; R89-V93 PolarHBondContact O-N 3.42Å; R89-V93 VanDerWaalsContact O-N 3.17Å; V93-H95 PolarHBondContact O-N 2.85Å; V93-Y96 HydrophobicContact CB-CE1 4.29Å; V93-Y96 HydrophobicContact CG1-CE2 4.49Å; V93-Y96 HydrophobicContact CG2-CE1 4.38Å; V93-Y96 PolarHBondContact O-N 2.86Å; V93-Y97 HydrophobicContact CG1-CD2 3.67Å; V93-Y97 HydrophobicContact CG1-CE2 3.55Å; V93-Y97 VanDerWaalsContact O-CD2 3.27Å; V93-Y97 WeakPolarHBondContact O-CD2 3.19Å; V93-Y97 PolarHBondContact O-N 2.97Å; V93-H128 WeakPolarHBondContact CG1-CE1 3.36Å; V93-H128 WeakPolarHBondContact CG1-NE2 3.34Å |
| 94 | Q | 77 | Confident | 78.3 | Confident | 153 Ų | 153 | 71.6 Ų | 71.6 | 72% | 0.715 | 34% | 0.335 | S | S | * | . | H | α-helix | trans | -60.5 | -32.6 | -179.4 | -65.4 | 180 | -11.8 | 0 | 0 | 113.4 | M92 R98 | M92-Q94 PolarHBondContact O-N 2.94Å; Q94-R98 PolarHBondContact O-N 3.09Å |
| 95 | H | 80.6 | Confident | 79.6 | Confident | 126 Ų | 126 | 71 Ų | 71 | 58% | 0.583 | 33% | 0.33 | S | S | * | . | H | α-helix | trans | -74 | -42.6 | -175.6 | -65.8 | 83.3 | 0 | 0 | 0 | 111.6 | K28 M92 V93 | K28-H95 PolarHBondContact NZ-O 2.81Å; M92-H95 WeakPolarHBondContact O-CB 3.28Å; M92-H95 PolarHBondContact O-N 2.94Å; V93-H95 PolarHBondContact O-N 2.85Å |
| 96 | Y | 82.9 | Confident | 81 | Confident | 1 Ų | 1 | 68 Ų | 68 | 0% | 0.004 | 32% | 0.315 | C | S | . | . | H | α-helix | trans | -79.2 | -27.8 | -178.1 | 63.7 | -109.7 | 0 | 0 | 0 | 113 | K28 I30 T82 M92 V93 V100 E124 | K28-Y96 WeakPolarHBondContact CE-O 3.42Å; K28-Y96 PolarHBondContact NZ-O 2.93Å; I30-Y96 WeakPolarHBondContact CG2-O 3.42Å; T82-Y96 HydrophobicContact CG2-CD1 4.29Å; T82-Y96 HydrophobicContact CG2-CD2 3.94Å; T82-Y96 HydrophobicContact CG2-CE1 4.33Å; T82-Y96 HydrophobicContact CG2-CE2 4Å; T82-Y96 HydrophobicContact CG2-CG 4.1Å; M92-Y96 HydrophobicContact CB-CD1 4.33Å; M92-Y96 WeakPolarHBondContact O-CD1 3.37Å; M92-Y96 PolarHBondContact O-N 2.81Å; V93-Y96 HydrophobicContact CB-CE1 4.29Å; V93-Y96 HydrophobicContact CG1-CE2 4.49Å; V93-Y96 HydrophobicContact CG2-CE1 4.38Å; V93-Y96 PolarHBondContact O-N 2.86Å; Y96-V100 WeakPolarHBondContact O-CG2 3.32Å; Y96-E124 PolarHBondContact OH-OE1 3.18Å |
| 97 | Y | 86.5 | Confident | 82.8 | Confident | 7 Ų | 7 | 62.2 Ų | 62.2 | 3% | 0.027 | 29% | 0.288 | C | S | . | . | H | α-helix | trans | -76.5 | -18 | 173.9 | -76 | -69.6 | 0 | 0 | 0 | 114.7 | I30 V93 N99 V100 E124 C125 H128 L130 | I30-Y97 HydrophobicContact CD1-CD1 3.43Å; I30-Y97 VanDerWaalsContact CD1-CD1 3.43Å; I30-Y97 HydrophobicContact CD1-CE1 3.26Å; I30-Y97 HydrophobicContact CD1-CG 4.49Å; V93-Y97 HydrophobicContact CG1-CD2 3.67Å; V93-Y97 HydrophobicContact CG1-CE2 3.55Å; V93-Y97 VanDerWaalsContact O-CD2 3.27Å; V93-Y97 WeakPolarHBondContact O-CD2 3.19Å; V93-Y97 PolarHBondContact O-N 2.97Å; Y97-N99 PolarHBondContact O-N 3.33Å; Y97-V100 WeakPolarHBondContact O-CG2 3.26Å; Y97-E124 HydrophobicContact CE2-CG 4.21Å; Y97-E124 WeakPolarHBondContact CE2-OE1 3.4Å; Y97-E124 PolarHBondContact OH-OE1 3.32Å; Y97-C125 HydrophobicContact CE1-CB 4.18Å; Y97-H128 HydrophobicContact CD1-CB 4.26Å; Y97-H128 HydrophobicContact CD2-CB 4Å; Y97-H128 AromaticContact CD2-CD2 3.81Å; Y97-H128 AromaticContact CD2-CE1 3.94Å; Y97-H128 AromaticContact CD2-CG 3.46Å; Y97-H128 VanDerWaalsContact CD2-CG 3.46Å; Y97-H128 AromaticContact CD2-ND1 3.54Å; Y97-H128 AromaticContact CE2-CE1 3.96Å; Y97-H128 AromaticContact CE2-ND1 3.6Å; Y97-H128 HydrophobicContact CG-CB 3.78Å; Y97-H128 AromaticContact CG-CG 3.78Å; Y97-L130 HydrophobicContact CD1-CD1 4.06Å; Y97-L130 HydrophobicContact CD1-CD2 4.14Å; Y97-L130 HydrophobicContact CD1-CG 4.34Å; Y97-L130 HydrophobicContact CE1-CD1 4.4Å; Y97-L130 WeakPolarHBondContact O-CD2 3.45Å |
| 98 | R | 86.2 | Confident | 84.5 | Confident | 177 Ų | 177 | 53.6 Ų | 53.6 | 67% | 0.668 | 26% | 0.257 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -63.6 | 129.3 | 178 | -173.4 | 178.2 | 175.4 | 100.5 | -0.8 | 111.5 | K28 Q94 V100 | K28-R98 PolarHBondContact NZ-O 3.43Å; Q94-R98 PolarHBondContact O-N 3.09Å; R98-V100 PolarHBondContact O-N 3.33Å |
| 99 | N | 86.7 | Confident | 86.2 | Confident | 121 Ų | 121 | 49.8 Ų | 49.8 | 65% | 0.647 | 24% | 0.24 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 54.5 | 37.6 | 176.4 | -56.7 | -20.1 | 0 | 0 | 0 | 113.6 | Y97 H101 | Y97-N99 PolarHBondContact O-N 3.33Å; N99-H101 PolarHBondContact O-ND1 3.42Å |
| 100 | V | 91.6 | Very high | 87.7 | Confident | 12 Ų | 12 | 50.2 Ų | 50.2 | 7% | 0.073 | 24% | 0.244 | C | C | . | . | trans | -72.3 | 135 | 172.3 | 167.4 | 0 | 0 | 0 | 0 | 109.8 | K28 I30 Y96 Y97 R98 A102 V103 L130 V134 | K28-V100 HydrophobicContact CD-CG2 4.41Å; K28-V100 HydrophobicContact CG-CG2 4.43Å; I30-V100 HydrophobicContact CB-CG2 4.42Å; I30-V100 HydrophobicContact CD1-CG1 4.2Å; I30-V100 HydrophobicContact CD1-CG2 4.12Å; I30-V100 HydrophobicContact CG1-CG1 3.82Å; I30-V100 HydrophobicContact CG1-CG2 4.1Å; I30-V100 HydrophobicContact CG2-CG2 3.5Å; Y96-V100 WeakPolarHBondContact O-CG2 3.32Å; Y97-V100 WeakPolarHBondContact O-CG2 3.26Å; R98-V100 PolarHBondContact O-N 3.33Å; V100-A102 WeakPolarHBondContact CG1-O 3.42Å; V100-V103 HydrophobicContact CG1-CG2 3.96Å; V100-L130 HydrophobicContact CB-CD2 4.05Å; V100-L130 HydrophobicContact CG1-CD1 4.4Å; V100-V134 HydrophobicContact CG1-CG1 4.28Å | ||
| 101 | H | 93.8 | Very high | 89 | Confident | 69 Ų | 69 | 45.7 Ų | 45.7 | 32% | 0.319 | 23% | 0.228 | S | C | . | . | trans | -96.8 | -33.9 | 175.6 | -59.3 | 84.9 | 0 | 0 | 0 | 111.3 | I26 K28 N99 P135 L200 | I26-H101 PolarHBondContact O-CE1 3.29Å; K28-H101 PolarHBondContact N-ND1 2.96Å; K28-H101 WeakPolarHBondContact O-CA 3.32Å; K28-H101 WeakPolarHBondContact O-CB 3.38Å; K28-H101 PolarHBondContact O-N 3.16Å; N99-H101 PolarHBondContact O-ND1 3.42Å; H101-P135 VanDerWaalsContact O-CD 3.28Å; H101-P135 WeakPolarHBondContact O-CD 3.5Å; H101-L200 HydrophobicContact CB-CD1 3.98Å; H101-L200 HydrophobicContact CB-CD2 3.98Å; H101-L200 VanDerWaalsContact O-CD2 3.24Å; H101-L200 WeakPolarHBondContact O-CD2 3.24Å | ||
| 102 | A | 94.9 | Very high | 90.4 | Very high | 1 Ų | 1 | 42.6 Ų | 42.6 | 1% | 0.008 | 21% | 0.205 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -147.2 | 157.6 | 175.5 | 0 | 0 | 0 | 0 | 0 | 112.8 | K28 I29 I30 V100 P135 V196 L200 | K28-A102 PolarHBondContact O-N 3.4Å; I29-A102 WeakPolarHBondContact CA-O 3.41Å; I29-A102 HydrophobicContact CG1-CB 4.22Å; I29-A102 HydrophobicContact CG2-CB 4.21Å; I30-A102 PolarHBondContact N-O 3.36Å; V100-A102 WeakPolarHBondContact CG1-O 3.42Å; A102-P135 WeakPolarHBondContact CA-O 3.16Å; A102-P135 HydrophobicContact CB-CG 3.92Å; A102-V196 HydrophobicContact CB-CG1 3.47Å; A102-V196 VanDerWaalsContact CB-CG1 3.47Å; A102-L200 HydrophobicContact CB-CD1 3.99Å; A102-L200 HydrophobicContact CB-CD2 4.28Å; A102-L200 HydrophobicContact CB-CG 4.43Å |
| 103 | V | 95 | Very high | 91.5 | Very high | 1 Ų | 1 | 42 Ų | 42 | 1% | 0.006 | 21% | 0.211 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.4 | 131.1 | 178 | -172.9 | 0 | 0 | 0 | 0 | 110.4 | I30 I32 V100 F105 L130 V134 P135 R136 I137 | I30-V103 HydrophobicContact CD1-CB 4.44Å; I30-V103 HydrophobicContact CD1-CG1 4.03Å; I30-V103 HydrophobicContact CD1-CG2 3.88Å; I30-V103 HydrophobicContact CG1-CB 4.17Å; I30-V103 HydrophobicContact CG1-CG1 4.01Å; I30-V103 HydrophobicContact CG1-CG2 3.87Å; I32-V103 HydrophobicContact CD1-CG1 3.58Å; I32-V103 HydrophobicContact CG1-CG1 3.89Å; V100-V103 HydrophobicContact CG1-CG2 3.96Å; V103-F105 HydrophobicContact CB-CE2 4.3Å; V103-F105 HydrophobicContact CG1-CD2 4.12Å; V103-F105 HydrophobicContact CG1-CE1 4.36Å; V103-F105 HydrophobicContact CG1-CE2 3.67Å; V103-F105 HydrophobicContact CG1-CZ 3.8Å; V103-L130 HydrophobicContact CG2-CD1 3.47Å; V103-L130 VanDerWaalsContact CG2-CD1 3.47Å; V103-V134 HydrophobicContact CG2-CG1 3.96Å; V103-P135 PolarHBondContact N-O 2.87Å; V103-R136 HydrophobicContact CB-CG 4.15Å; V103-R136 HydrophobicContact CG2-CG 4.45Å; V103-R136 WeakPolarHBondContact O-CA 3.49Å; V103-I137 PolarHBondContact O-N 2.87Å |
| 104 | V | 96.7 | Very high | 92.4 | Very high | 1 Ų | 1 | 41.2 Ų | 41.2 | 1% | 0.006 | 21% | 0.206 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.6 | 112.2 | 173.4 | -175.6 | 0 | 0 | 0 | 0 | 108.4 | I29 I30 V31 I32 V106 I137 V139 F193 | I29-V104 HydrophobicContact CG2-CG2 3.6Å; I30-V104 PolarHBondContact O-N 3.06Å; V31-V104 WeakPolarHBondContact CA-O 3.27Å; V31-V104 HydrophobicContact CG1-CB 4.38Å; V31-V104 HydrophobicContact CG1-CG1 4.43Å; V31-V104 HydrophobicContact CG2-CB 4.29Å; I32-V104 PolarHBondContact N-O 2.82Å; V104-V106 HydrophobicContact CG1-CG2 3.96Å; V104-I137 HydrophobicContact CB-CD1 4.41Å; V104-I137 HydrophobicContact CB-CG1 4.09Å; V104-I137 HydrophobicContact CG1-CD1 3.99Å; V104-I137 HydrophobicContact CG1-CG1 3.96Å; V104-I137 HydrophobicContact CG2-CD1 3.85Å; V104-I137 HydrophobicContact CG2-CG1 3.78Å; V104-V139 HydrophobicContact CG1-CB 4.36Å; V104-V139 HydrophobicContact CG1-CG2 3.62Å; V104-F193 HydrophobicContact CG2-CE1 4.2Å |
| 105 | F | 97.2 | Very high | 93.3 | Very high | 1 Ų | 1 | 35 Ų | 35 | 0% | 0.004 | 18% | 0.176 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -86.3 | 129.1 | 170.5 | -65.2 | -85.5 | 0 | 0 | 0 | 109.1 | I32 V103 L118 W121 I122 C125 R136 I137 L138 V139 M165 | I32-F105 HydrophobicContact CD1-CD1 3.63Å; I32-F105 HydrophobicContact CD1-CE1 3.23Å; I32-F105 HydrophobicContact CD1-CZ 3.83Å; I32-F105 HydrophobicContact CG1-CD1 3.7Å; I32-F105 HydrophobicContact CG1-CE1 3.88Å; I32-F105 HydrophobicContact CG1-CG 4.35Å; I32-F105 CarbonylContact O-C 3.55Å; I32-F105 WeakPolarHBondContact O-CA 3.47Å; V103-F105 HydrophobicContact CB-CE2 4.3Å; V103-F105 HydrophobicContact CG1-CD2 4.12Å; V103-F105 HydrophobicContact CG1-CE1 4.36Å; V103-F105 HydrophobicContact CG1-CE2 3.67Å; V103-F105 HydrophobicContact CG1-CZ 3.8Å; F105-L118 HydrophobicContact CB-CD2 4.11Å; F105-W121 HydrophobicContact CD1-CB 4.08Å; F105-W121 HydrophobicContact CE1-CB 4.03Å; F105-I122 HydrophobicContact CD1-CG1 4.11Å; F105-I122 HydrophobicContact CE1-CB 4.34Å; F105-I122 HydrophobicContact CE1-CG1 3.62Å; F105-I122 HydrophobicContact CE2-CG1 4.29Å; F105-I122 HydrophobicContact CZ-CB 4.4Å; F105-I122 HydrophobicContact CZ-CG1 3.73Å; F105-C125 HydrophobicContact CE1-CB 4.39Å; F105-C125 HydrophobicContact CZ-CB 4Å; F105-R136 HydrophobicContact CE2-CB 4.08Å; F105-R136 HydrophobicContact CE2-CG 4.14Å; F105-I137 PolarHBondContact N-O 2.95Å; F105-L138 HydrophobicContact CB-CD1 3.86Å; F105-V139 PolarHBondContact O-N 3.03Å; F105-M165 HydrophobicContact CD2-CE 4.27Å; F105-M165 HydrophobicContact CD2-SD 3.54Å; F105-M165 VanDerWaalsContact CD2-SD 3.54Å; F105-M165 HydrophobicContact CE2-SD 3.69Å |
| 106 | V | 97.7 | Very high | 94.1 | Very high | 0 Ų | 0 | 38.1 Ų | 38.1 | 0% | 0 | 18% | 0.183 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.7 | 130.7 | -178.5 | -171.2 | 0 | 0 | 0 | 0 | 110 | V31 I32 G33 V37 K39 L42 V104 V139 N141 | V31-V106 HydrophobicContact CG1-CG2 3.48Å; V31-V106 VanDerWaalsContact CG1-CG2 3.48Å; I32-V106 PolarHBondContact O-N 3.05Å; G33-V106 WeakPolarHBondContact CA-O 3.49Å; V37-V106 HydrophobicContact CB-CG1 4.29Å; V37-V106 HydrophobicContact CG2-CB 4Å; V37-V106 HydrophobicContact CG2-CG1 3.76Å; K39-V106 HydrophobicContact CG-CB 4.05Å; K39-V106 HydrophobicContact CG-CG1 4.45Å; K39-V106 HydrophobicContact CG-CG2 4.18Å; L42-V106 HydrophobicContact CD1-CG1 3.8Å; L42-V106 HydrophobicContact CD1-CG2 4.11Å; V104-V106 HydrophobicContact CG1-CG2 3.96Å; V106-V139 WeakPolarHBondContact CA-O 3.45Å; V106-V139 HydrophobicContact CG2-CB 4.41Å; V106-N141 HydrophobicContact CG1-CB 4.03Å |
| 107 | Y | 98.1 | Very high | 94.7 | Very high | 0 Ų | 0 | 39.8 Ų | 39.8 | 0% | 0 | 20% | 0.195 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.2 | 166.9 | 167.6 | 74.8 | -81 | 0 | 0 | 0 | 110.3 | V109 F115 L118 L138 V139 G140 N141 V151 A156 L167 | Y107-V109 HydrophobicContact CE2-CG1 3.95Å; Y107-F115 HydrophobicContact CD1-CD2 4.13Å; Y107-F115 HydrophobicContact CD2-CB 3.98Å; Y107-F115 AromaticContact CD2-CD2 3.76Å; Y107-F115 HydrophobicContact CD2-CD2 3.76Å; Y107-F115 HydrophobicContact CD2-CG 4.34Å; Y107-F115 HydrophobicContact CE1-CD2 4.17Å; Y107-F115 HydrophobicContact CE1-CE2 4.45Å; Y107-F115 AromaticContact CE2-CD2 3.82Å; Y107-F115 HydrophobicContact CE2-CD2 3.82Å; Y107-F115 HydrophobicContact CG-CB 4.39Å; Y107-F115 AromaticContact CG-CD2 3.92Å; Y107-F115 HydrophobicContact CG-CD2 3.92Å; Y107-L118 HydrophobicContact CD1-CD1 4.04Å; Y107-L118 HydrophobicContact CG-CD1 4.23Å; Y107-L138 HydrophobicContact CD1-CD1 3.8Å; Y107-L138 HydrophobicContact CD1-CG 4.23Å; Y107-L138 HydrophobicContact CE1-CD1 4.11Å; Y107-L138 HydrophobicContact CE1-CD2 4.28Å; Y107-L138 HydrophobicContact CE1-CG 4.02Å; Y107-V139 WeakPolarHBondContact CD1-O 3.47Å; Y107-V139 PolarHBondContact N-O 3.3Å; Y107-G140 VanDerWaalsContact CZ-CA 3.42Å; Y107-N141 PolarHBondContact O-N 3.36Å; Y107-V151 HydrophobicContact CD2-CG2 4.48Å; Y107-V151 HydrophobicContact CE2-CB 4.03Å; Y107-V151 HydrophobicContact CE2-CG1 3.84Å; Y107-V151 HydrophobicContact CE2-CG2 4.26Å; Y107-A156 WeakPolarHBondContact OH-CB 3.29Å; Y107-L167 HydrophobicContact CE1-CD1 4.21Å |
| 108 | D | 97.1 | Very high | 95.2 | Very high | 9 Ų | 9 | 39.5 Ų | 39.5 | 5% | 0.048 | 19% | 0.194 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -101.3 | 120.2 | 176.1 | 178.5 | -1.6 | 0 | 0 | 0 | 109.4 | V37 T110 N111 S114 K142 | V37-D108 HydrophobicContact CB-CB 4.2Å; V37-D108 HydrophobicContact CG1-CB 4.11Å; D108-T110 PolarHBondContact O-N 3.39Å; D108-T110 VanDerWaalsContact O-N 3.17Å; D108-T110 PolarHBondContact OD1-N 2.9Å; D108-T110 PolarHBondContact OD1-OG1 2.93Å; D108-T110 PolarHBondContact OD2-OG1 2.54Å; D108-N111 HydrophobicContact CB-CB 4.05Å; D108-N111 CarbonylContact O-C 3.34Å; D108-N111 PolarHBondContact O-N 2.95Å; D108-S114 PolarHBondContact N-OG 2.97Å; D108-S114 PolarHBondContact O-OG 3.15Å; D108-K142 WeakPolarHBondContact OD1-CD 3.49Å; D108-K142 VanDerWaalsContact OD2-CE 3.29Å; D108-K142 WeakPolarHBondContact OD2-CE 3.2Å; D108-K142 IonicContact OD2-NZ 3.24Å; D108-K142 PolarHBondContact OD2-NZ 3.02Å |
| 109 | V | 96.5 | Very high | 95.6 | Very high | 3 Ų | 3 | 34 Ų | 34 | 2% | 0.018 | 18% | 0.181 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -62.5 | -22.7 | -178.8 | -57.6 | 0 | 0 | 0 | 0 | 112.5 | Y107 N111 N141 K142 V149 Q150 V151 | Y107-V109 HydrophobicContact CE2-CG1 3.95Å; V109-N111 VanDerWaalsContact C-N 3.33Å; V109-N141 WeakPolarHBondContact CG2-O 3.13Å; V109-N141 PolarHBondContact N-O 3.05Å; V109-K142 WeakPolarHBondContact CG2-O 3.29Å; V109-V149 HydrophobicContact CG2-CG2 4.12Å; V109-Q150 PolarHBondContact O-N 2.8Å; V109-V151 PolarHBondContact O-N 3.06Å; V109-V151 VanDerWaalsContact O-N 3.16Å |
| 110 | T | 95.6 | Very high | 95.9 | Very high | 25 Ų | 25 | 31.5 Ų | 31.5 | 15% | 0.153 | 18% | 0.177 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -90.2 | 4.3 | 177.7 | 77.2 | 0 | 0 | 0 | 0 | 113.2 | D108 L145 S148 Q150 | D108-T110 PolarHBondContact O-N 3.39Å; D108-T110 VanDerWaalsContact O-N 3.17Å; D108-T110 PolarHBondContact OD1-N 2.9Å; D108-T110 PolarHBondContact OD1-OG1 2.93Å; D108-T110 PolarHBondContact OD2-OG1 2.54Å; T110-L145 HydrophobicContact CG2-CB 3.64Å; T110-L145 HydrophobicContact CG2-CD1 3.93Å; T110-L145 HydrophobicContact CG2-CG 4.42Å; T110-S148 VanDerWaalsContact CA-O 3.26Å; T110-S148 WeakPolarHBondContact CA-O 3.44Å; T110-S148 WeakPolarHBondContact CB-O 3.4Å; T110-Q150 WeakPolarHBondContact O-CG 3.28Å; T110-Q150 PolarHBondContact O-NE2 3.34Å; T110-Q150 PolarHBondContact O-OE1 2.82Å |
| 111 | N | 95.9 | Very high | 95.9 | Very high | 65 Ų | 65 | 31.3 Ų | 31.3 | 35% | 0.348 | 18% | 0.175 | S | C | . | . | trans | -139.2 | 98.5 | -177.1 | -178.3 | -7.5 | 0 | 0 | 0 | 111.6 | D108 V109 A113 S114 | D108-N111 HydrophobicContact CB-CB 4.05Å; D108-N111 CarbonylContact O-C 3.34Å; D108-N111 PolarHBondContact O-N 2.95Å; V109-N111 VanDerWaalsContact C-N 3.33Å; N111-A113 PolarHBondContact O-N 2.97Å; N111-A113 VanDerWaalsContact OD1-CB 3.29Å; N111-A113 WeakPolarHBondContact OD1-CB 3.05Å; N111-A113 PolarHBondContact OD1-N 2.77Å; N111-S114 WeakPolarHBondContact O-CB 3.5Å; N111-S114 PolarHBondContact O-N 3.31Å; N111-S114 VanDerWaalsContact O-N 3.1Å; N111-S114 PolarHBondContact O-OG 3.48Å; N111-S114 PolarHBondContact OD1-N 2.83Å | ||
| 112 | T | 96.3 | Very high | 95.8 | Very high | 36 Ų | 36 | 28.3 Ų | 28.3 | 22% | 0.221 | 16% | 0.161 | C | C | . | . | H | α-helix | trans | -59.3 | -29.6 | 179 | -46.5 | 0 | 0 | 0 | 0 | 113.4 | S114 F115 R116 Q150 | T112-S114 VanDerWaalsContact C-N 3.31Å; T112-S114 PolarHBondContact O-N 2.92Å; T112-F115 PolarHBondContact O-N 3.15Å; T112-R116 HydrophobicContact CG2-CG 4.36Å; T112-R116 WeakPolarHBondContact O-CG 3.46Å; T112-R116 PolarHBondContact O-N 2.95Å; T112-Q150 VanDerWaalsContact OG1-CB 3.31Å; T112-Q150 WeakPolarHBondContact OG1-CB 3.28Å; T112-Q150 PolarHBondContact OG1-O 3.16Å; T112-Q150 PolarHBondContact OG1-OE1 2.78Å |
| 113 | A | 96.8 | Very high | 95.6 | Very high | 55 Ų | 55 | 32.6 Ų | 32.6 | 46% | 0.455 | 18% | 0.181 | S | C | . | . | H | α-helix | trans | -63.4 | -40.3 | 178.3 | 0 | 0 | 0 | 0 | 0 | 111.1 | N111 F115 R116 S117 | N111-A113 PolarHBondContact O-N 2.97Å; N111-A113 VanDerWaalsContact OD1-CB 3.29Å; N111-A113 WeakPolarHBondContact OD1-CB 3.05Å; N111-A113 PolarHBondContact OD1-N 2.77Å; A113-F115 VanDerWaalsContact C-N 3.27Å; A113-F115 PolarHBondContact O-N 3.28Å; A113-R116 PolarHBondContact O-N 3.38Å; A113-S117 PolarHBondContact O-N 2.81Å; A113-S117 PolarHBondContact O-OG 2.82Å; A113-S117 VanDerWaalsContact O-OG 3.09Å |
| 114 | S | 96.6 | Very high | 95.2 | Very high | 2 Ų | 2 | 34.2 Ų | 34.2 | 1% | 0.014 | 19% | 0.189 | C | C | . | . | H | α-helix | trans | -62 | -35.7 | 177.4 | 76.7 | 0 | 0 | 0 | 0 | 112.8 | D108 N111 T112 S117 | D108-S114 PolarHBondContact N-OG 2.97Å; D108-S114 PolarHBondContact O-OG 3.15Å; N111-S114 WeakPolarHBondContact O-CB 3.5Å; N111-S114 PolarHBondContact O-N 3.31Å; N111-S114 VanDerWaalsContact O-N 3.1Å; N111-S114 PolarHBondContact O-OG 3.48Å; N111-S114 PolarHBondContact OD1-N 2.83Å; T112-S114 VanDerWaalsContact C-N 3.31Å; T112-S114 PolarHBondContact O-N 2.92Å; S114-S117 PolarHBondContact O-N 3.47Å |
| 115 | F | 97.5 | Very high | 94.8 | Very high | 22 Ų | 22 | 34.4 Ų | 34.4 | 10% | 0.096 | 19% | 0.19 | C | C | . | . | H | α-helix | trans | -70.9 | -42.4 | 175 | -177.1 | -98.3 | 0 | 0 | 0 | 111.6 | Y107 T112 A113 S117 L118 V151 V155 A156 F159 | Y107-F115 HydrophobicContact CD1-CD2 4.13Å; Y107-F115 HydrophobicContact CD2-CB 3.98Å; Y107-F115 AromaticContact CD2-CD2 3.76Å; Y107-F115 HydrophobicContact CD2-CD2 3.76Å; Y107-F115 HydrophobicContact CD2-CG 4.34Å; Y107-F115 HydrophobicContact CE1-CD2 4.17Å; Y107-F115 HydrophobicContact CE1-CE2 4.45Å; Y107-F115 AromaticContact CE2-CD2 3.82Å; Y107-F115 HydrophobicContact CE2-CD2 3.82Å; Y107-F115 HydrophobicContact CG-CB 4.39Å; Y107-F115 AromaticContact CG-CD2 3.92Å; Y107-F115 HydrophobicContact CG-CD2 3.92Å; T112-F115 PolarHBondContact O-N 3.15Å; A113-F115 VanDerWaalsContact C-N 3.27Å; A113-F115 PolarHBondContact O-N 3.28Å; F115-S117 PolarHBondContact O-N 2.8Å; F115-L118 HydrophobicContact CD2-CD1 3.49Å; F115-L118 VanDerWaalsContact CD2-CD1 3.49Å; F115-L118 HydrophobicContact CE2-CD1 3.84Å; F115-L118 HydrophobicContact CG-CD1 4.16Å; F115-L118 VanDerWaalsContact O-CB 3.28Å; F115-L118 WeakPolarHBondContact O-CB 3.43Å; F115-L118 VanDerWaalsContact O-CG 3.31Å; F115-L118 WeakPolarHBondContact O-CG 3.45Å; F115-L118 PolarHBondContact O-N 3.43Å; F115-L118 VanDerWaalsContact O-N 3.08Å; F115-V151 HydrophobicContact CB-CG1 4.41Å; F115-V151 HydrophobicContact CB-CG2 3.86Å; F115-V151 HydrophobicContact CD1-CG1 4.24Å; F115-V151 HydrophobicContact CD2-CG1 3.84Å; F115-V151 HydrophobicContact CE1-CG1 4.49Å; F115-V151 HydrophobicContact CE2-CG1 4.12Å; F115-V151 HydrophobicContact CG-CG1 3.91Å; F115-V151 HydrophobicContact CG-CG2 4.24Å; F115-V151 HydrophobicContact CZ-CG1 4.43Å; F115-V155 HydrophobicContact CE1-CG1 4.06Å; F115-V155 HydrophobicContact CZ-CG1 4.31Å; F115-A156 HydrophobicContact CE2-CB 3.99Å; F115-A156 HydrophobicContact CZ-CB 4.45Å; F115-F159 HydrophobicContact CE2-CB 4.35Å; F115-F159 HydrophobicContact CE2-CD1 4.27Å; F115-F159 HydrophobicContact CE2-CG 4.33Å; F115-F159 HydrophobicContact CZ-CB 3.66Å; F115-F159 HydrophobicContact CZ-CD1 4.22Å; F115-F159 HydrophobicContact CZ-CD2 4.33Å; F115-F159 AromaticContact CZ-CG 3.81Å; F115-F159 HydrophobicContact CZ-CG 3.81Å |
| 116 | R | 96.8 | Very high | 94.2 | Very high | 193 Ų | 193 | 39.7 Ų | 39.7 | 73% | 0.728 | 21% | 0.213 | S | C | * | . | H | α-helix | trans | -64.2 | -22.4 | 176.1 | -71.4 | 176.8 | -177.6 | 167.5 | 3.6 | 113.4 | T112 A113 P119 | T112-R116 HydrophobicContact CG2-CG 4.36Å; T112-R116 WeakPolarHBondContact O-CG 3.46Å; T112-R116 PolarHBondContact O-N 2.95Å; A113-R116 PolarHBondContact O-N 3.38Å; R116-P119 VanDerWaalsContact O-CD 3.29Å; R116-P119 WeakPolarHBondContact O-CD 3.2Å |
| 117 | S | 95.6 | Very high | 93.7 | Very high | 36 Ų | 36 | 46.1 Ų | 46.1 | 25% | 0.252 | 24% | 0.243 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -75.6 | -19.7 | 174.2 | -59.2 | 0 | 0 | 0 | 0 | 113.5 | D34 A113 S114 F115 P119 A120 W121 | D34-S117 VanDerWaalsContact OD1-CB 3.27Å; D34-S117 WeakPolarHBondContact OD1-CB 3.44Å; D34-S117 VanDerWaalsContact OD2-CB 3.31Å; D34-S117 WeakPolarHBondContact OD2-CB 3.18Å; D34-S117 PolarHBondContact OD2-OG 3.41Å; A113-S117 PolarHBondContact O-N 2.81Å; A113-S117 PolarHBondContact O-OG 2.82Å; A113-S117 VanDerWaalsContact O-OG 3.09Å; S114-S117 PolarHBondContact O-N 3.47Å; F115-S117 PolarHBondContact O-N 2.8Å; S117-P119 VanDerWaalsContact C-CD 3.45Å; S117-A120 WeakPolarHBondContact O-CB 3.39Å; S117-A120 PolarHBondContact O-N 3.48Å; S117-W121 PolarHBondContact O-N 3.5Å |
| 118 | L | 95.8 | Very high | 92.9 | Very high | 0 Ų | 0 | 48.9 Ų | 48.9 | 0% | 0 | 26% | 0.256 | C | S | . | . | H | α-helix | trans | -53.7 | -41.4 | -175.3 | -69.7 | 170.1 | 0 | 0 | 0 | 114.8 | F105 Y107 F115 A120 W121 I122 L138 F159 | F105-L118 HydrophobicContact CB-CD2 4.11Å; Y107-L118 HydrophobicContact CD1-CD1 4.04Å; Y107-L118 HydrophobicContact CG-CD1 4.23Å; F115-L118 HydrophobicContact CD2-CD1 3.49Å; F115-L118 VanDerWaalsContact CD2-CD1 3.49Å; F115-L118 HydrophobicContact CE2-CD1 3.84Å; F115-L118 HydrophobicContact CG-CD1 4.16Å; F115-L118 VanDerWaalsContact O-CB 3.28Å; F115-L118 WeakPolarHBondContact O-CB 3.43Å; F115-L118 VanDerWaalsContact O-CG 3.31Å; F115-L118 WeakPolarHBondContact O-CG 3.45Å; F115-L118 PolarHBondContact O-N 3.43Å; F115-L118 VanDerWaalsContact O-N 3.08Å; L118-A120 VanDerWaalsContact C-N 3.26Å; L118-A120 PolarHBondContact O-N 2.86Å; L118-W121 WeakPolarHBondContact O-CB 3.49Å; L118-W121 PolarHBondContact O-N 2.94Å; L118-W121 VanDerWaalsContact O-N 3.12Å; L118-I122 WeakPolarHBondContact O-CG1 3.35Å; L118-I122 PolarHBondContact O-N 3Å; L118-L138 HydrophobicContact CD1-CD1 3.69Å; L118-L138 HydrophobicContact CD2-CD1 4Å; L118-F159 HydrophobicContact CB-CE1 3.94Å; L118-F159 HydrophobicContact CB-CZ 3.74Å; L118-F159 HydrophobicContact CD1-CD1 4.36Å; L118-F159 HydrophobicContact CD1-CE1 3.88Å; L118-F159 HydrophobicContact CD1-CZ 4.41Å |
| 119 | P | 95.1 | Very high | 91.4 | Very high | 61 Ų | 61 | 52.6 Ų | 52.6 | 40% | 0.396 | 29% | 0.288 | S | S | . | . | H | α-helix | trans | -55.9 | -38.9 | 175.7 | -26.2 | 35.6 | 0 | 0 | 0 | 113.5 | R116 S117 I122 E123 F159 | R116-P119 VanDerWaalsContact O-CD 3.29Å; R116-P119 WeakPolarHBondContact O-CD 3.2Å; S117-P119 VanDerWaalsContact C-CD 3.45Å; P119-I122 PolarHBondContact O-N 3.46Å; P119-E123 WeakPolarHBondContact O-CB 3.37Å; P119-E123 PolarHBondContact O-N 3.07Å; P119-F159 HydrophobicContact CG-CE2 4.03Å; P119-F159 HydrophobicContact CG-CZ 4.29Å |
| 120 | A | 92.5 | Very high | 90.3 | Very high | 69 Ų | 69 | 54.1 Ų | 54.1 | 57% | 0.57 | 30% | 0.296 | S | S | * | . | H | α-helix | trans | -67 | -39.4 | 177.9 | 0 | 0 | 0 | 0 | 0 | 111.5 | S117 L118 E123 E124 | S117-A120 WeakPolarHBondContact O-CB 3.39Å; S117-A120 PolarHBondContact O-N 3.48Å; L118-A120 VanDerWaalsContact C-N 3.26Å; L118-A120 PolarHBondContact O-N 2.86Å; A120-E123 PolarHBondContact O-N 3.4Å; A120-E124 WeakPolarHBondContact O-CB 3.34Å; A120-E124 PolarHBondContact O-N 2.92Å |
| 121 | W | 92.5 | Very high | 88.9 | Confident | 9 Ų | 9 | 55.1 Ų | 55.1 | 3% | 0.034 | 31% | 0.311 | C | S | . | . | H | α-helix | trans | -65.3 | -40.4 | 174.3 | -69 | 107.7 | 0 | 0 | 0 | 112.7 | I32 G33 D34 R89 F105 S117 L118 E123 C125 | I32-W121 HydrophobicContact CB-CE3 4.07Å; I32-W121 HydrophobicContact CB-CZ3 4.18Å; G33-W121 WeakPolarHBondContact O-CH2 3.5Å; G33-W121 WeakPolarHBondContact O-CZ2 3.43Å; D34-W121 PolarHBondContact OD1-NE1 3.11Å; R89-W121 VanDerWaalsContact NE-CH2 3.34Å; F105-W121 HydrophobicContact CD1-CB 4.08Å; F105-W121 HydrophobicContact CE1-CB 4.03Å; S117-W121 PolarHBondContact O-N 3.5Å; L118-W121 WeakPolarHBondContact O-CB 3.49Å; L118-W121 PolarHBondContact O-N 2.94Å; L118-W121 VanDerWaalsContact O-N 3.12Å; W121-E123 VanDerWaalsContact C-N 3.32Å; W121-C125 VanDerWaalsContact O-CB 3.29Å; W121-C125 WeakPolarHBondContact O-CB 3.32Å; W121-C125 PolarHBondContact O-N 3.01Å |
| 122 | I | 91.9 | Very high | 87.5 | Confident | 5 Ų | 5 | 59 Ų | 59 | 3% | 0.026 | 34% | 0.337 | C | S | . | . | H | α-helix | trans | -64.4 | -41.2 | 176.2 | -68.8 | 168.8 | 0 | 0 | 0 | 110.1 | F105 L118 P119 C125 K126 F159 M165 | F105-I122 HydrophobicContact CD1-CG1 4.11Å; F105-I122 HydrophobicContact CE1-CB 4.34Å; F105-I122 HydrophobicContact CE1-CG1 3.62Å; F105-I122 HydrophobicContact CE2-CG1 4.29Å; F105-I122 HydrophobicContact CZ-CB 4.4Å; F105-I122 HydrophobicContact CZ-CG1 3.73Å; L118-I122 WeakPolarHBondContact O-CG1 3.35Å; L118-I122 PolarHBondContact O-N 3Å; P119-I122 PolarHBondContact O-N 3.46Å; I122-C125 WeakPolarHBondContact O-CB 3.39Å; I122-C125 PolarHBondContact O-N 3.07Å; I122-K126 HydrophobicContact CG2-CD 4.46Å; I122-K126 WeakPolarHBondContact O-CG 3.47Å; I122-K126 PolarHBondContact O-N 3.31Å; I122-F159 HydrophobicContact CD1-CE1 3.89Å; I122-F159 HydrophobicContact CD1-CZ 3.63Å; I122-M165 HydrophobicContact CD1-CE 3.77Å; I122-M165 HydrophobicContact CG1-CE 4.46Å |
| 123 | E | 90.2 | Very high | 86.6 | Confident | 91 Ų | 91 | 63.5 Ų | 63.5 | 43% | 0.425 | 36% | 0.355 | S | S | . | . | H | α-helix | trans | -67.6 | -44.1 | 178 | -167.4 | 54.3 | -146 | 0 | 0 | 112.1 | P119 A120 W121 C125 K126 Q127 | P119-E123 WeakPolarHBondContact O-CB 3.37Å; P119-E123 PolarHBondContact O-N 3.07Å; A120-E123 PolarHBondContact O-N 3.4Å; W121-E123 VanDerWaalsContact C-N 3.32Å; E123-C125 VanDerWaalsContact C-N 3.26Å; E123-C125 PolarHBondContact O-N 2.99Å; E123-K126 PolarHBondContact O-N 3.17Å; E123-K126 VanDerWaalsContact O-N 3.11Å; E123-K126 IonicContact OE2-NZ 2.67Å; E123-Q127 WeakPolarHBondContact O-CG 3.42Å; E123-Q127 PolarHBondContact O-N 3.31Å |
| 124 | E | 87.6 | Confident | 86.2 | Confident | 36 Ų | 36 | 61.9 Ų | 61.9 | 17% | 0.168 | 34% | 0.34 | C | S | . | . | H | α-helix | trans | -55.2 | -44.9 | 171.6 | -176.2 | -170.9 | 113 | 0 | 0 | 111 | R89 Y96 Y97 A120 K126 Q127 H128 | R89-E124 IonicContact CZ-OE2 3.63Å; R89-E124 IonicContact NH1-OE1 3.05Å; R89-E124 PolarHBondContact NH1-OE1 3.12Å; R89-E124 IonicContact NH1-OE2 2.73Å; R89-E124 PolarHBondContact NH1-OE2 2.83Å; Y96-E124 PolarHBondContact OH-OE1 3.18Å; Y97-E124 HydrophobicContact CE2-CG 4.21Å; Y97-E124 WeakPolarHBondContact CE2-OE1 3.4Å; Y97-E124 PolarHBondContact OH-OE1 3.32Å; A120-E124 WeakPolarHBondContact O-CB 3.34Å; A120-E124 PolarHBondContact O-N 2.92Å; E124-K126 VanDerWaalsContact C-N 3.33Å; E124-K126 PolarHBondContact O-N 3.2Å; E124-Q127 PolarHBondContact O-N 2.77Å; E124-H128 PolarHBondContact O-ND1 3.46Å |
| 125 | C | 87.1 | Confident | 86 | Confident | 5 Ų | 5 | 62.2 Ų | 62.2 | 3% | 0.034 | 34% | 0.342 | C | S | . | . | H | α-helix | trans | -61.8 | -38.2 | 178.2 | -178.5 | 0 | 0 | 0 | 0 | 112.4 | I32 Y97 F105 W121 I122 E123 L130 | I32-C125 HydrophobicContact CD1-CB 4.37Å; Y97-C125 HydrophobicContact CE1-CB 4.18Å; F105-C125 HydrophobicContact CE1-CB 4.39Å; F105-C125 HydrophobicContact CZ-CB 4Å; W121-C125 VanDerWaalsContact O-CB 3.29Å; W121-C125 WeakPolarHBondContact O-CB 3.32Å; W121-C125 PolarHBondContact O-N 3.01Å; I122-C125 WeakPolarHBondContact O-CB 3.39Å; I122-C125 PolarHBondContact O-N 3.07Å; E123-C125 VanDerWaalsContact C-N 3.26Å; E123-C125 PolarHBondContact O-N 2.99Å; C125-L130 WeakPolarHBondContact SG-CD1 3.36Å |
| 126 | K | 86.1 | Confident | 85.8 | Confident | 111 Ų | 111 | 65 Ų | 65 | 48% | 0.483 | 35% | 0.352 | S | S | . | . | H | α-helix | trans | -68.6 | -37.5 | 177 | -72.7 | 170.8 | -175.6 | 170.3 | 0 | 112.5 | I122 E123 E124 H128 A129 | I122-K126 HydrophobicContact CG2-CD 4.46Å; I122-K126 WeakPolarHBondContact O-CG 3.47Å; I122-K126 PolarHBondContact O-N 3.31Å; E123-K126 PolarHBondContact O-N 3.17Å; E123-K126 VanDerWaalsContact O-N 3.11Å; E123-K126 IonicContact OE2-NZ 2.67Å; E124-K126 VanDerWaalsContact C-N 3.33Å; E124-K126 PolarHBondContact O-N 3.2Å; K126-H128 PolarHBondContact O-N 3.31Å; K126-A129 PolarHBondContact O-N 2.98Å |
| 127 | Q | 85.6 | Confident | 85.8 | Confident | 136 Ų | 136 | 56.2 Ų | 56.2 | 64% | 0.636 | 32% | 0.319 | S | S | * | . | H | α-helix | trans | -61.7 | -24.2 | -179.9 | -71.2 | 169.8 | 12.2 | 0 | 0 | 113.3 | E123 E124 A129 | E123-Q127 WeakPolarHBondContact O-CG 3.42Å; E123-Q127 PolarHBondContact O-N 3.31Å; E124-Q127 PolarHBondContact O-N 2.77Å; Q127-A129 VanDerWaalsContact C-N 3.25Å; Q127-A129 PolarHBondContact O-N 2.77Å |
| 128 | H | 82.5 | Confident | 85.9 | Confident | 58 Ų | 58 | 54.5 Ų | 54.5 | 27% | 0.269 | 31% | 0.307 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -88.4 | 12 | 178.7 | -65.7 | 85.5 | 0 | 0 | 0 | 113.7 | V93 Y97 E124 K126 L130 | V93-H128 WeakPolarHBondContact CG1-CE1 3.36Å; V93-H128 WeakPolarHBondContact CG1-NE2 3.34Å; Y97-H128 HydrophobicContact CD1-CB 4.26Å; Y97-H128 HydrophobicContact CD2-CB 4Å; Y97-H128 AromaticContact CD2-CD2 3.81Å; Y97-H128 AromaticContact CD2-CE1 3.94Å; Y97-H128 AromaticContact CD2-CG 3.46Å; Y97-H128 VanDerWaalsContact CD2-CG 3.46Å; Y97-H128 AromaticContact CD2-ND1 3.54Å; Y97-H128 AromaticContact CE2-CE1 3.96Å; Y97-H128 AromaticContact CE2-ND1 3.6Å; Y97-H128 HydrophobicContact CG-CB 3.78Å; Y97-H128 AromaticContact CG-CG 3.78Å; E124-H128 PolarHBondContact O-ND1 3.46Å; K126-H128 PolarHBondContact O-N 3.31Å; H128-L130 PolarHBondContact O-N 2.89Å; H128-L130 VanDerWaalsContact O-N 3.15Å |
| 129 | A | 65.3 | Low | 86 | Confident | 87 Ų | 87 | 54.6 Ų | 54.6 | 72% | 0.719 | 31% | 0.308 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 48.5 | 43.5 | 174.1 | 0 | 0 | 0 | 0 | 0 | 113.2 | K126 Q127 G131 | K126-A129 PolarHBondContact O-N 2.98Å; Q127-A129 VanDerWaalsContact C-N 3.25Å; Q127-A129 PolarHBondContact O-N 2.77Å; A129-G131 PolarHBondContact O-N 2.97Å |
| 130 | L | 72.1 | Confident | 86.1 | Confident | 35 Ų | 35 | 51.7 Ų | 51.7 | 18% | 0.183 | 29% | 0.289 | C | S | . | . | trans | -56.5 | 131.3 | 168.1 | -60.8 | -171.3 | 0 | 0 | 0 | 107.8 | Y97 V100 V103 C125 H128 T132 V134 | Y97-L130 HydrophobicContact CD1-CD1 4.06Å; Y97-L130 HydrophobicContact CD1-CD2 4.14Å; Y97-L130 HydrophobicContact CD1-CG 4.34Å; Y97-L130 HydrophobicContact CE1-CD1 4.4Å; Y97-L130 WeakPolarHBondContact O-CD2 3.45Å; V100-L130 HydrophobicContact CB-CD2 4.05Å; V100-L130 HydrophobicContact CG1-CD1 4.4Å; V103-L130 HydrophobicContact CG2-CD1 3.47Å; V103-L130 VanDerWaalsContact CG2-CD1 3.47Å; C125-L130 WeakPolarHBondContact SG-CD1 3.36Å; H128-L130 PolarHBondContact O-N 2.89Å; H128-L130 VanDerWaalsContact O-N 3.15Å; L130-T132 PolarHBondContact O-N 3.28Å; L130-V134 HydrophobicContact CB-CB 4.4Å; L130-V134 HydrophobicContact CB-CG2 4.22Å; L130-V134 HydrophobicContact CD1-CG1 4.34Å | ||
| 131 | G | 67.1 | Low | 86.2 | Confident | 46 Ų | 46 | 48.6 Ų | 48.6 | 47% | 0.474 | 26% | 0.263 | S | S | . | . | trans | -50.1 | 142.7 | 179.8 | 0 | 0 | 0 | 0 | 0 | 110.6 | A129 E133 V134 | A129-G131 PolarHBondContact O-N 2.97Å; G131-E133 PolarHBondContact O-N 3.07Å; G131-V134 WeakPolarHBondContact O-CB 3.15Å; G131-V134 WeakPolarHBondContact O-CG2 3.41Å; G131-V134 PolarHBondContact O-N 3.1Å | ||
| 132 | T | 65.8 | Low | 86.2 | Confident | 145 Ų | 145 | 50.7 Ų | 50.7 | 89% | 0.89 | 27% | 0.272 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -55.5 | -19.6 | -178.5 | 32.3 | 0 | 0 | 0 | 0 | 113.6 | L130 | L130-T132 PolarHBondContact O-N 3.28Š|
| 133 | E | 78 | Confident | 86.2 | Confident | 131 Ų | 131 | 52.1 Ų | 52.1 | 61% | 0.612 | 28% | 0.282 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -85.7 | -6.8 | 179 | -57.2 | -166.8 | 125.6 | 0 | 0 | 114.7 | G131 P135 Q203 | G131-E133 PolarHBondContact O-N 3.07Å; E133-P135 WeakPolarHBondContact O-CD 3.35Å; E133-Q203 PolarHBondContact O-NE2 2.82Å |
| 134 | V | 89.1 | Confident | 86.1 | Confident | 22 Ų | 22 | 50.4 Ų | 50.4 | 13% | 0.133 | 28% | 0.276 | C | S | . | . | trans | -67.6 | 111.4 | -178.6 | 173.2 | 0 | 0 | 0 | 0 | 109.6 | V100 V103 L130 G131 R136 | V100-V134 HydrophobicContact CG1-CG1 4.28Å; V103-V134 HydrophobicContact CG2-CG1 3.96Å; L130-V134 HydrophobicContact CB-CB 4.4Å; L130-V134 HydrophobicContact CB-CG2 4.22Å; L130-V134 HydrophobicContact CD1-CG1 4.34Å; G131-V134 WeakPolarHBondContact O-CB 3.15Å; G131-V134 WeakPolarHBondContact O-CG2 3.41Å; G131-V134 PolarHBondContact O-N 3.1Å; V134-R136 PolarHBondContact O-N 2.91Å | ||
| 135 | P | 91.8 | Very high | 86.1 | Confident | 8 Ų | 8 | 52 Ų | 52 | 5% | 0.052 | 29% | 0.285 | C | S | . | . | trans | -61.7 | 136.2 | 176.8 | 24.5 | -35.5 | 0 | 0 | 0 | 111.1 | H101 A102 V103 E133 K199 L200 | H101-P135 VanDerWaalsContact O-CD 3.28Å; H101-P135 WeakPolarHBondContact O-CD 3.5Å; A102-P135 WeakPolarHBondContact CA-O 3.16Å; A102-P135 HydrophobicContact CB-CG 3.92Å; V103-P135 PolarHBondContact N-O 2.87Å; E133-P135 WeakPolarHBondContact O-CD 3.35Å; P135-K199 HydrophobicContact CB-CD 4.02Å; P135-L200 HydrophobicContact CG-CD2 3.51Å; P135-L200 HydrophobicContact CG-CG 4.26Å | ||
| 136 | R | 93.6 | Very high | 85.9 | Confident | 82 Ų | 82 | 59.2 Ų | 59.2 | 31% | 0.309 | 32% | 0.318 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.5 | 135.4 | 177.6 | -65.9 | 167.1 | -70.9 | -177.3 | 2.6 | 108.1 | V103 F105 V134 M165 P166 | V103-R136 HydrophobicContact CB-CG 4.15Å; V103-R136 HydrophobicContact CG2-CG 4.45Å; V103-R136 WeakPolarHBondContact O-CA 3.49Å; F105-R136 HydrophobicContact CE2-CB 4.08Å; F105-R136 HydrophobicContact CE2-CG 4.14Å; V134-R136 PolarHBondContact O-N 2.91Å; R136-M165 HydrophobicContact CB-CG 3.81Å; R136-M165 HydrophobicContact CB-SD 3.65Å; R136-P166 WeakPolarHBondContact O-CD 2.8Å |
| 137 | I | 96 | Very high | 85.9 | Confident | 7 Ų | 7 | 62 Ų | 62 | 4% | 0.036 | 34% | 0.339 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.1 | 151.4 | 176.5 | 68.1 | 161.1 | 0 | 0 | 0 | 110.3 | V103 V104 F105 V139 P166 F168 I192 V196 | V103-I137 PolarHBondContact O-N 2.87Å; V104-I137 HydrophobicContact CB-CD1 4.41Å; V104-I137 HydrophobicContact CB-CG1 4.09Å; V104-I137 HydrophobicContact CG1-CD1 3.99Å; V104-I137 HydrophobicContact CG1-CG1 3.96Å; V104-I137 HydrophobicContact CG2-CD1 3.85Å; V104-I137 HydrophobicContact CG2-CG1 3.78Å; F105-I137 PolarHBondContact N-O 2.95Å; I137-V139 HydrophobicContact CD1-CG2 3.98Å; I137-V139 HydrophobicContact CG1-CG2 4.44Å; I137-P166 HydrophobicContact CB-CG 4.12Å; I137-P166 HydrophobicContact CG2-CG 3.6Å; I137-F168 HydrophobicContact CB-CE2 4.37Å; I137-F168 HydrophobicContact CD1-CD2 4.31Å; I137-F168 HydrophobicContact CD1-CE2 4.37Å; I137-F168 HydrophobicContact CG2-CE2 4.4Å; I137-I192 HydrophobicContact CD1-CG2 3.51Å; I137-V196 HydrophobicContact CD1-CG2 3.56Å; I137-V196 HydrophobicContact CG1-CG2 4.21Å; I137-V196 HydrophobicContact CG2-CG2 4.02Å |
| 138 | L | 97.9 | Very high | 86.1 | Confident | 0 Ų | 0 | 58.7 Ų | 58.7 | 0% | 0 | 33% | 0.331 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.9 | 131.5 | 175.5 | -177.8 | 62.3 | 0 | 0 | 0 | 109.9 | F105 Y107 L118 F159 A160 M165 P166 L167 F168 | F105-L138 HydrophobicContact CB-CD1 3.86Å; Y107-L138 HydrophobicContact CD1-CD1 3.8Å; Y107-L138 HydrophobicContact CD1-CG 4.23Å; Y107-L138 HydrophobicContact CE1-CD1 4.11Å; Y107-L138 HydrophobicContact CE1-CD2 4.28Å; Y107-L138 HydrophobicContact CE1-CG 4.02Å; L118-L138 HydrophobicContact CD1-CD1 3.69Å; L118-L138 HydrophobicContact CD2-CD1 4Å; L138-F159 HydrophobicContact CD2-CD1 3.8Å; L138-F159 HydrophobicContact CD2-CE1 4.3Å; L138-A160 HydrophobicContact CD2-CB 3.93Å; L138-M165 HydrophobicContact CB-CE 4.44Å; L138-P166 PolarHBondContact N-O 3.41Å; L138-L167 HydrophobicContact CB-CD1 4.4Å; L138-L167 HydrophobicContact CD2-CD1 4.01Å; L138-L167 HydrophobicContact CG-CD1 3.97Å; L138-L167 CarbonylContact O-C 3.43Å; L138-L167 WeakPolarHBondContact O-CA 3.14Å; L138-F168 PolarHBondContact O-N 3.34Å |
| 139 | V | 97.7 | Very high | 86.6 | Confident | 2 Ų | 2 | 59.2 Ų | 59.2 | 1% | 0.012 | 34% | 0.337 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.9 | 116.2 | -178.9 | -179.1 | 0 | 0 | 0 | 0 | 110.2 | L42 V104 F105 V106 Y107 I137 F168 T170 I192 | L42-V139 HydrophobicContact CD1-CG1 4.16Å; V104-V139 HydrophobicContact CG1-CB 4.36Å; V104-V139 HydrophobicContact CG1-CG2 3.62Å; F105-V139 PolarHBondContact O-N 3.03Å; V106-V139 WeakPolarHBondContact CA-O 3.45Å; V106-V139 HydrophobicContact CG2-CB 4.41Å; Y107-V139 WeakPolarHBondContact CD1-O 3.47Å; Y107-V139 PolarHBondContact N-O 3.3Å; I137-V139 HydrophobicContact CD1-CG2 3.98Å; I137-V139 HydrophobicContact CG1-CG2 4.44Å; V139-F168 CarbonylContact C-O 3.56Å; V139-F168 VanDerWaalsContact CA-O 3.25Å; V139-F168 WeakPolarHBondContact CA-O 3.19Å; V139-T170 HydrophobicContact CG1-CG2 3.52Å; V139-I192 HydrophobicContact CG1-CD1 4.44Å; V139-I192 HydrophobicContact CG2-CG2 4.14Å |
| 140 | G | 97.3 | Very high | 88 | Confident | 0 Ų | 0 | 60.7 Ų | 60.7 | 0% | 0 | 33% | 0.329 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -86 | 109.1 | 165.7 | 0 | 0 | 0 | 0 | 0 | 109.6 | Y107 F168 E169 T170 | Y107-G140 VanDerWaalsContact CZ-CA 3.42Å; G140-F168 PolarHBondContact N-O 3.4Å; G140-E169 CarbonylContact O-C 3.39Å; G140-E169 VanDerWaalsContact O-CA 3.32Å; G140-E169 WeakPolarHBondContact O-CA 3.4Å; G140-T170 PolarHBondContact O-N 3.24Å |
| 141 | N | 95.5 | Very high | 89.1 | Confident | 4 Ų | 4 | 59.3 Ų | 59.3 | 2% | 0.021 | 32% | 0.323 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.4 | 163.2 | -179.7 | -169.5 | 33.3 | 0 | 0 | 0 | 111.5 | V37 L42 V106 Y107 V109 T170 A172 | V37-N141 PolarHBondContact O-ND2 2.84Å; L42-N141 HydrophobicContact CD1-CB 4.23Å; V106-N141 HydrophobicContact CG1-CB 4.03Å; Y107-N141 PolarHBondContact O-N 3.36Å; V109-N141 WeakPolarHBondContact CG2-O 3.13Å; V109-N141 PolarHBondContact N-O 3.05Å; N141-T170 CarbonylContact C-O 3.55Å; N141-T170 VanDerWaalsContact CA-O 3.26Å; N141-T170 WeakPolarHBondContact CA-O 3.32Å; N141-T170 PolarHBondContact OD1-O 2.61Å; N141-A172 PolarHBondContact OD1-N 3.13Å; N141-A172 VanDerWaalsContact OD1-N 3.1Å |
| 142 | K | 93.3 | Very high | 90.3 | Very high | 54 Ų | 54 | 58.6 Ų | 58.6 | 24% | 0.235 | 32% | 0.315 | C | S | . | . | trans | 70.7 | 31.9 | 179.5 | -43.8 | -171.7 | -163 | 168.1 | 0 | 114.4 | G36 D108 V109 D144 L145 T170 | G36-K142 WeakPolarHBondContact O-CE 3.26Å; G36-K142 PolarHBondContact O-NZ 2.94Å; D108-K142 WeakPolarHBondContact OD1-CD 3.49Å; D108-K142 VanDerWaalsContact OD2-CE 3.29Å; D108-K142 WeakPolarHBondContact OD2-CE 3.2Å; D108-K142 IonicContact OD2-NZ 3.24Å; D108-K142 PolarHBondContact OD2-NZ 3.02Å; V109-K142 WeakPolarHBondContact CG2-O 3.29Å; K142-D144 WeakPolarHBondContact CA-OD1 3.05Å; K142-D144 PolarHBondContact O-N 3.12Å; K142-D144 VanDerWaalsContact O-N 3.09Å; K142-L145 HydrophobicContact CB-CD1 4.27Å; K142-L145 HydrophobicContact CD-CD1 4.45Å; K142-L145 PolarHBondContact O-N 3.31Å; K142-L145 VanDerWaalsContact O-N 3.07Å; K142-T170 PolarHBondContact N-O 3.06Å | ||
| 143 | C | 91.1 | Very high | 91.7 | Very high | 34 Ų | 34 | 55 Ų | 55 | 23% | 0.23 | 29% | 0.293 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -65.1 | -8.7 | 175.2 | 70.7 | 0 | 0 | 0 | 0 | 114 | L145 Q146 E169 T170 | C143-L145 PolarHBondContact O-N 3.48Å; C143-Q146 WeakPolarHBondContact O-CG 3.45Å; C143-E169 HydrophobicContact CB-CB 4.48Å; C143-T170 PolarHBondContact N-O 2.85Å; C143-T170 VanDerWaalsContact N-O 3.16Å; C143-T170 VanDerWaalsContact SG-CA 3.56Å; C143-T170 PolarHBondContact SG-O 3.24Å; C143-T170 VanDerWaalsContact SG-O 3.33Å |
| 144 | D | 87.8 | Confident | 92.6 | Very high | 55 Ų | 55 | 54.3 Ų | 54.3 | 29% | 0.294 | 29% | 0.293 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -64.7 | -20 | 169.3 | 58.7 | -67 | 0 | 0 | 0 | 113 | K142 Q146 S171 | K142-D144 WeakPolarHBondContact CA-OD1 3.05Å; K142-D144 PolarHBondContact O-N 3.12Å; K142-D144 VanDerWaalsContact O-N 3.09Å; D144-Q146 PolarHBondContact O-N 3.38Å; D144-S171 WeakPolarHBondContact OD1-CB 3.31Å; D144-S171 PolarHBondContact OD1-OG 3.17Å |
| 145 | L | 87.8 | Confident | 92.9 | Very high | 71 Ų | 71 | 56.5 Ų | 56.5 | 37% | 0.372 | 31% | 0.307 | S | S | . | . | trans | -95.4 | 54.4 | -179.7 | -58.4 | 178.7 | 0 | 0 | 0 | 111.7 | T110 K142 C143 D147 S148 V149 | T110-L145 HydrophobicContact CG2-CB 3.64Å; T110-L145 HydrophobicContact CG2-CD1 3.93Å; T110-L145 HydrophobicContact CG2-CG 4.42Å; K142-L145 HydrophobicContact CB-CD1 4.27Å; K142-L145 HydrophobicContact CD-CD1 4.45Å; K142-L145 PolarHBondContact O-N 3.31Å; K142-L145 VanDerWaalsContact O-N 3.07Å; C143-L145 PolarHBondContact O-N 3.48Å; L145-D147 VanDerWaalsContact C-N 3.26Å; L145-D147 PolarHBondContact O-N 2.88Å; L145-S148 PolarHBondContact O-N 2.89Å; L145-V149 PolarHBondContact O-N 3.34Å | ||
| 146 | Q | 82.9 | Confident | 93.1 | Very high | 155 Ų | 155 | 56.1 Ų | 56.1 | 72% | 0.724 | 30% | 0.304 | S | S | * | . | G | 310 helix | trans | -53 | -40.1 | -173.7 | -65.4 | -175.1 | 5.9 | 0 | 0 | 113.3 | C143 D144 S148 V149 | C143-Q146 WeakPolarHBondContact O-CG 3.45Å; D144-Q146 PolarHBondContact O-N 3.38Å; Q146-S148 PolarHBondContact O-N 3.32Å; Q146-V149 WeakPolarHBondContact O-CG2 3.31Å; Q146-V149 PolarHBondContact O-N 2.86Å |
| 147 | D | 86.6 | Confident | 93.3 | Very high | 171 Ų | 171 | 55.6 Ų | 55.6 | 91% | 0.914 | 31% | 0.305 | S | S | * | . | G | 310 helix | trans | -68.8 | -15.1 | -179.9 | -60.2 | -38.9 | 0 | 0 | 0 | 114 | L145 | L145-D147 VanDerWaalsContact C-N 3.26Å; L145-D147 PolarHBondContact O-N 2.88Å |
| 148 | S | 89.9 | Confident | 93.4 | Very high | 66 Ų | 66 | 61.8 Ų | 61.8 | 46% | 0.462 | 33% | 0.334 | S | S | . | . | G | 310 helix | trans | -111.5 | 9.7 | -178.3 | -60.5 | 0 | 0 | 0 | 0 | 112.9 | T110 L145 Q146 Q150 | T110-S148 VanDerWaalsContact CA-O 3.26Å; T110-S148 WeakPolarHBondContact CA-O 3.44Å; T110-S148 WeakPolarHBondContact CB-O 3.4Å; L145-S148 PolarHBondContact O-N 2.89Å; Q146-S148 PolarHBondContact O-N 3.32Å; S148-Q150 PolarHBondContact O-N 3.21Å |
| 149 | V | 92.3 | Very high | 93.4 | Very high | 68 Ų | 68 | 63.3 Ų | 63.3 | 41% | 0.412 | 34% | 0.341 | S | S | . | . | trans | -63.2 | 126.1 | 179.4 | 174.5 | 0 | 0 | 0 | 0 | 109.9 | V109 L145 Q146 V151 | V109-V149 HydrophobicContact CG2-CG2 4.12Å; L145-V149 PolarHBondContact O-N 3.34Å; Q146-V149 WeakPolarHBondContact O-CG2 3.31Å; Q146-V149 PolarHBondContact O-N 2.86Å; V149-V151 VanDerWaalsContact CG1-O 3.28Å; V149-V151 WeakPolarHBondContact CG1-O 3.34Å | ||
| 150 | Q | 94.8 | Very high | 93.3 | Very high | 118 Ų | 118 | 63.2 Ų | 63.2 | 55% | 0.551 | 34% | 0.34 | S | S | * | . | trans | -116.3 | -10.6 | 178.5 | -59.3 | -174.2 | -8.9 | 0 | 0 | 113 | V109 T110 T112 S148 | V109-Q150 PolarHBondContact O-N 2.8Å; T110-Q150 WeakPolarHBondContact O-CG 3.28Å; T110-Q150 PolarHBondContact O-NE2 3.34Å; T110-Q150 PolarHBondContact O-OE1 2.82Å; T112-Q150 VanDerWaalsContact OG1-CB 3.31Å; T112-Q150 WeakPolarHBondContact OG1-CB 3.28Å; T112-Q150 PolarHBondContact OG1-O 3.16Å; T112-Q150 PolarHBondContact OG1-OE1 2.78Å; S148-Q150 PolarHBondContact O-N 3.21Å | ||
| 151 | V | 94.5 | Very high | 93.3 | Very high | 7 Ų | 7 | 67.9 Ų | 67.9 | 4% | 0.042 | 37% | 0.365 | C | S | . | . | S | Bend | trans | -116.2 | 113.4 | 177.9 | -176.3 | 0 | 0 | 0 | 0 | 107.6 | Y107 V109 F115 V149 A156 | Y107-V151 HydrophobicContact CD2-CG2 4.48Å; Y107-V151 HydrophobicContact CE2-CB 4.03Å; Y107-V151 HydrophobicContact CE2-CG1 3.84Å; Y107-V151 HydrophobicContact CE2-CG2 4.26Å; V109-V151 PolarHBondContact O-N 3.06Å; V109-V151 VanDerWaalsContact O-N 3.16Å; F115-V151 HydrophobicContact CB-CG1 4.41Å; F115-V151 HydrophobicContact CB-CG2 3.86Å; F115-V151 HydrophobicContact CD1-CG1 4.24Å; F115-V151 HydrophobicContact CD2-CG1 3.84Å; F115-V151 HydrophobicContact CE1-CG1 4.49Å; F115-V151 HydrophobicContact CE2-CG1 4.12Å; F115-V151 HydrophobicContact CG-CG1 3.91Å; F115-V151 HydrophobicContact CG-CG2 4.24Å; F115-V151 HydrophobicContact CZ-CG1 4.43Å; V149-V151 VanDerWaalsContact CG1-O 3.28Å; V149-V151 WeakPolarHBondContact CG1-O 3.34Å; V151-A156 HydrophobicContact CG1-CB 4.26Å |
| 152 | G | 93.6 | Very high | 93.3 | Very high | 30 Ų | 30 | 72.7 Ų | 72.7 | 31% | 0.309 | 40% | 0.395 | S | S | . | . | trans | -67.3 | 139.5 | 176 | 0 | 0 | 0 | 0 | 0 | 111.4 | D154 V155 A156 | G152-D154 WeakPolarHBondContact CA-OD1 3.26Å; G152-D154 PolarHBondContact O-N 3.16Å; G152-V155 PolarHBondContact O-N 2.93Å; G152-V155 VanDerWaalsContact O-N 3.15Å; G152-A156 PolarHBondContact O-N 3.32Å | ||
| 153 | T | 94.4 | Very high | 93.3 | Very high | 69 Ų | 69 | 72.5 Ų | 72.5 | 42% | 0.423 | 40% | 0.395 | S | S | . | . | H | α-helix | trans | -58.4 | -34.4 | 178.1 | -52.3 | 0 | 0 | 0 | 0 | 111.8 | A156 Q157 L167 E169 | T153-A156 PolarHBondContact O-N 2.86Å; T153-Q157 WeakPolarHBondContact O-CB 3.37Å; T153-Q157 PolarHBondContact O-N 3.31Å; T153-L167 HydrophobicContact CG2-CD2 4.35Å; T153-E169 WeakPolarHBondContact CB-OE1 3.37Å; T153-E169 WeakPolarHBondContact CG2-OE1 3.21Å; T153-E169 PolarHBondContact OG1-OE1 3.29Å; T153-E169 PolarHBondContact OG1-OE2 3.46Å |
| 154 | D | 96.2 | Very high | 93.3 | Very high | 117 Ų | 117 | 75.8 Ų | 75.8 | 63% | 0.626 | 42% | 0.418 | S | S | * | . | H | α-helix | trans | -61.2 | -46.5 | 175 | 62.4 | -39.3 | 0 | 0 | 0 | 112.4 | G152 Q157 Q158 | G152-D154 WeakPolarHBondContact CA-OD1 3.26Å; G152-D154 PolarHBondContact O-N 3.16Å; D154-Q157 PolarHBondContact O-N 3Å; D154-Q158 WeakPolarHBondContact O-CB 3.4Å; D154-Q158 PolarHBondContact O-N 3.06Å |
| 155 | V | 96.5 | Very high | 93.6 | Very high | 69 Ų | 69 | 73.5 Ų | 73.5 | 42% | 0.418 | 41% | 0.406 | S | S | . | . | H | α-helix | trans | -66.2 | -43.7 | 177.2 | 178.4 | 0 | 0 | 0 | 0 | 110.5 | F115 G152 Q157 F159 | F115-V155 HydrophobicContact CE1-CG1 4.06Å; F115-V155 HydrophobicContact CZ-CG1 4.31Å; G152-V155 PolarHBondContact O-N 2.93Å; G152-V155 VanDerWaalsContact O-N 3.15Å; V155-Q157 VanDerWaalsContact C-N 3.33Å; V155-Q157 PolarHBondContact O-N 3.17Å; V155-F159 WeakPolarHBondContact O-CB 3.3Å; V155-F159 PolarHBondContact O-N 3.29Å |
| 156 | A | 96.6 | Very high | 94 | Very high | 0 Ų | 0 | 72.5 Ų | 72.5 | 0% | 0 | 40% | 0.404 | C | S | . | . | H | α-helix | trans | -63.4 | -40.2 | 176.8 | 0 | 0 | 0 | 0 | 0 | 111.9 | Y107 F115 V151 G152 T153 F159 A160 L167 | Y107-A156 WeakPolarHBondContact OH-CB 3.29Å; F115-A156 HydrophobicContact CE2-CB 3.99Å; F115-A156 HydrophobicContact CZ-CB 4.45Å; V151-A156 HydrophobicContact CG1-CB 4.26Å; G152-A156 PolarHBondContact O-N 3.32Å; T153-A156 PolarHBondContact O-N 2.86Å; A156-F159 PolarHBondContact O-N 2.85Å; A156-A160 WeakPolarHBondContact O-CB 3.43Å; A156-A160 PolarHBondContact O-N 3.41Å; A156-L167 HydrophobicContact CB-CD1 4.24Å; A156-L167 HydrophobicContact CB-CD2 3.75Å |
| 157 | Q | 97.2 | Very high | 94.6 | Very high | 71 Ų | 71 | 66.2 Ų | 66.2 | 33% | 0.332 | 38% | 0.375 | S | S | . | . | H | α-helix | trans | -66.9 | -47.2 | 179.2 | -173.6 | 62.4 | 59.3 | 0 | 0 | 110.8 | T153 D154 V155 F159 A160 D161 L167 | T153-Q157 WeakPolarHBondContact O-CB 3.37Å; T153-Q157 PolarHBondContact O-N 3.31Å; D154-Q157 PolarHBondContact O-N 3Å; V155-Q157 VanDerWaalsContact C-N 3.33Å; V155-Q157 PolarHBondContact O-N 3.17Å; Q157-F159 VanDerWaalsContact C-N 3.26Å; Q157-F159 PolarHBondContact O-N 2.95Å; Q157-A160 WeakPolarHBondContact O-CB 3.29Å; Q157-A160 PolarHBondContact O-N 3.43Å; Q157-D161 PolarHBondContact NE2-OD1 2.82Å; Q157-D161 PolarHBondContact O-N 2.84Å; Q157-L167 HydrophobicContact CB-CD2 4.07Å |
| 158 | Q | 97.7 | Very high | 95 | Very high | 137 Ų | 137 | 60.7 Ų | 60.7 | 64% | 0.64 | 34% | 0.343 | S | S | * | . | H | α-helix | trans | -58.3 | -40.9 | 176.2 | -175.4 | 179.4 | 51.6 | 0 | 0 | 111.8 | D154 T162 | D154-Q158 WeakPolarHBondContact O-CB 3.4Å; D154-Q158 PolarHBondContact O-N 3.06Å; Q158-T162 WeakPolarHBondContact O-CB 3.5Å; Q158-T162 PolarHBondContact O-N 3.4Å; Q158-T162 PolarHBondContact O-OG1 3.33Å |
| 159 | F | 97.5 | Very high | 95.2 | Very high | 32 Ų | 32 | 60.8 Ų | 60.8 | 14% | 0.14 | 34% | 0.336 | C | S | . | . | H | α-helix | trans | -63.9 | -43 | 175.1 | 179.1 | -91.2 | 0 | 0 | 0 | 112.1 | F115 L118 P119 I122 L138 V155 A156 Q157 T162 H163 M165 | F115-F159 HydrophobicContact CE2-CB 4.35Å; F115-F159 HydrophobicContact CE2-CD1 4.27Å; F115-F159 HydrophobicContact CE2-CG 4.33Å; F115-F159 HydrophobicContact CZ-CB 3.66Å; F115-F159 HydrophobicContact CZ-CD1 4.22Å; F115-F159 HydrophobicContact CZ-CD2 4.33Å; F115-F159 AromaticContact CZ-CG 3.81Å; F115-F159 HydrophobicContact CZ-CG 3.81Å; L118-F159 HydrophobicContact CB-CE1 3.94Å; L118-F159 HydrophobicContact CB-CZ 3.74Å; L118-F159 HydrophobicContact CD1-CD1 4.36Å; L118-F159 HydrophobicContact CD1-CE1 3.88Å; L118-F159 HydrophobicContact CD1-CZ 4.41Å; P119-F159 HydrophobicContact CG-CE2 4.03Å; P119-F159 HydrophobicContact CG-CZ 4.29Å; I122-F159 HydrophobicContact CD1-CE1 3.89Å; I122-F159 HydrophobicContact CD1-CZ 3.63Å; L138-F159 HydrophobicContact CD2-CD1 3.8Å; L138-F159 HydrophobicContact CD2-CE1 4.3Å; V155-F159 WeakPolarHBondContact O-CB 3.3Å; V155-F159 PolarHBondContact O-N 3.29Å; A156-F159 PolarHBondContact O-N 2.85Å; Q157-F159 VanDerWaalsContact C-N 3.26Å; Q157-F159 PolarHBondContact O-N 2.95Å; F159-T162 PolarHBondContact O-N 3.26Å; F159-H163 AromaticContact CD2-CE1 3.88Å; F159-H163 AromaticContact CE1-ND1 3.96Å; F159-H163 AromaticContact CE2-CE1 3.4Å; F159-H163 WeakPolarHBondContact CE2-CE1 3.27Å; F159-H163 AromaticContact CE2-ND1 3.83Å; F159-H163 AromaticContact CZ-CE1 3.6Å; F159-H163 AromaticContact CZ-ND1 3.8Å; F159-H163 PolarHBondContact O-N 3.39Å; F159-H163 PolarHBondContact O-ND1 3.15Å; F159-M165 HydrophobicContact CE1-CE 4.33Å |
| 160 | A | 96.5 | Very high | 95.2 | Very high | 0 Ų | 0 | 57.5 Ų | 57.5 | 0% | 0 | 32% | 0.316 | C | S | . | . | H | α-helix | trans | -63.7 | -45.3 | 178.8 | 0 | 0 | 0 | 0 | 0 | 111.5 | L138 A156 Q157 T162 H163 S164 M165 L167 | L138-A160 HydrophobicContact CD2-CB 3.93Å; A156-A160 WeakPolarHBondContact O-CB 3.43Å; A156-A160 PolarHBondContact O-N 3.41Å; Q157-A160 WeakPolarHBondContact O-CB 3.29Å; Q157-A160 PolarHBondContact O-N 3.43Å; A160-T162 PolarHBondContact O-N 2.86Å; A160-H163 CarbonylContact O-C 3.5Å; A160-H163 PolarHBondContact O-N 3.44Å; A160-H163 VanDerWaalsContact O-N 3.11Å; A160-S164 PolarHBondContact O-N 3Å; A160-M165 CarbonylContact C-O 3.59Å; A160-M165 VanDerWaalsContact CB-O 3.22Å; A160-M165 WeakPolarHBondContact CB-O 3.39Å; A160-M165 PolarHBondContact O-N 2.67Å; A160-L167 HydrophobicContact CB-CB 3.94Å |
| 161 | D | 95.9 | Very high | 95 | Very high | 97 Ų | 97 | 52.1 Ų | 52.1 | 52% | 0.519 | 29% | 0.292 | S | S | . | . | H | α-helix | trans | -61.1 | -44.4 | 178 | -65.4 | -20.2 | 0 | 0 | 0 | 111.4 | Q157 H163 S164 | Q157-D161 PolarHBondContact NE2-OD1 2.82Å; Q157-D161 PolarHBondContact O-N 2.84Å; D161-H163 PolarHBondContact O-N 2.84Å; D161-S164 PolarHBondContact O-N 3.47Å |
| 162 | T | 96.1 | Very high | 94.8 | Very high | 106 Ų | 106 | 51.9 Ų | 51.9 | 65% | 0.65 | 29% | 0.29 | S | S | * | . | H | α-helix | trans | -58.2 | -31.3 | 177 | -58.8 | 0 | 0 | 0 | 0 | 112.2 | Q158 F159 A160 | Q158-T162 WeakPolarHBondContact O-CB 3.5Å; Q158-T162 PolarHBondContact O-N 3.4Å; Q158-T162 PolarHBondContact O-OG1 3.33Å; F159-T162 PolarHBondContact O-N 3.26Å; A160-T162 PolarHBondContact O-N 2.86Å |
| 163 | H | 92.7 | Very high | 94.4 | Very high | 50 Ų | 50 | 56.3 Ų | 56.3 | 23% | 0.231 | 30% | 0.301 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -100.3 | 6.3 | 179.2 | -66 | 88 | 0 | 0 | 0 | 113.5 | F159 A160 D161 M165 | F159-H163 AromaticContact CD2-CE1 3.88Å; F159-H163 AromaticContact CE1-ND1 3.96Å; F159-H163 AromaticContact CE2-CE1 3.4Å; F159-H163 WeakPolarHBondContact CE2-CE1 3.27Å; F159-H163 AromaticContact CE2-ND1 3.83Å; F159-H163 AromaticContact CZ-CE1 3.6Å; F159-H163 AromaticContact CZ-ND1 3.8Å; F159-H163 PolarHBondContact O-N 3.39Å; F159-H163 PolarHBondContact O-ND1 3.15Å; A160-H163 CarbonylContact O-C 3.5Å; A160-H163 PolarHBondContact O-N 3.44Å; A160-H163 VanDerWaalsContact O-N 3.11Å; D161-H163 PolarHBondContact O-N 2.84Å; H163-M165 VanDerWaalsContact C-N 3.3Å; H163-M165 HydrophobicContact CB-CE 3.58Å; H163-M165 HydrophobicContact CB-CG 4.17Å; H163-M165 HydrophobicContact CB-SD 4.45Å; H163-M165 WeakPolarHBondContact O-CG 3.26Å; H163-M165 PolarHBondContact O-N 2.72Å |
| 164 | S | 92.2 | Very high | 93.2 | Very high | 103 Ų | 103 | 53.4 Ų | 53.4 | 72% | 0.72 | 28% | 0.284 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 54.6 | 43.4 | -177.3 | -54.2 | 0 | 0 | 0 | 0 | 113.2 | A160 D161 | A160-S164 PolarHBondContact O-N 3Å; D161-S164 PolarHBondContact O-N 3.47Å |
| 165 | M | 94.1 | Very high | 91.1 | Very high | 6 Ų | 6 | 53 Ų | 53 | 3% | 0.03 | 29% | 0.287 | C | S | . | . | trans | -118.4 | 135.7 | 177.2 | -57.6 | -171 | -70.3 | 0 | 0 | 109.4 | F105 I122 R136 L138 F159 A160 H163 | F105-M165 HydrophobicContact CD2-CE 4.27Å; F105-M165 HydrophobicContact CD2-SD 3.54Å; F105-M165 VanDerWaalsContact CD2-SD 3.54Å; F105-M165 HydrophobicContact CE2-SD 3.69Å; I122-M165 HydrophobicContact CD1-CE 3.77Å; I122-M165 HydrophobicContact CG1-CE 4.46Å; R136-M165 HydrophobicContact CB-CG 3.81Å; R136-M165 HydrophobicContact CB-SD 3.65Å; L138-M165 HydrophobicContact CB-CE 4.44Å; F159-M165 HydrophobicContact CE1-CE 4.33Å; A160-M165 CarbonylContact C-O 3.59Å; A160-M165 VanDerWaalsContact CB-O 3.22Å; A160-M165 WeakPolarHBondContact CB-O 3.39Å; A160-M165 PolarHBondContact O-N 2.67Å; H163-M165 VanDerWaalsContact C-N 3.3Å; H163-M165 HydrophobicContact CB-CE 3.58Å; H163-M165 HydrophobicContact CB-CG 4.17Å; H163-M165 HydrophobicContact CB-SD 4.45Å; H163-M165 WeakPolarHBondContact O-CG 3.26Å; H163-M165 PolarHBondContact O-N 2.72Å | ||
| 166 | P | 94.9 | Very high | 88.6 | Confident | 51 Ų | 51 | 53.9 Ų | 53.9 | 33% | 0.331 | 29% | 0.29 | S | S | . | . | trans | -68.3 | 140.6 | 167.2 | 30 | -33.7 | 0 | 0 | 0 | 110 | R136 I137 L138 F168 | R136-P166 WeakPolarHBondContact O-CD 2.8Å; I137-P166 HydrophobicContact CB-CG 4.12Å; I137-P166 HydrophobicContact CG2-CG 3.6Å; L138-P166 PolarHBondContact N-O 3.41Å; P166-F168 HydrophobicContact CB-CE2 3.93Å; P166-F168 HydrophobicContact CB-CZ 4.32Å; P166-F168 HydrophobicContact CG-CE2 3.92Å | ||
| 167 | L | 96.5 | Very high | 86.3 | Confident | 22 Ų | 22 | 58 Ų | 58 | 12% | 0.115 | 32% | 0.318 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.3 | 136.2 | 172.1 | 174.2 | 65.4 | 0 | 0 | 0 | 110 | Y107 L138 T153 A156 Q157 A160 | Y107-L167 HydrophobicContact CE1-CD1 4.21Å; L138-L167 HydrophobicContact CB-CD1 4.4Å; L138-L167 HydrophobicContact CD2-CD1 4.01Å; L138-L167 HydrophobicContact CG-CD1 3.97Å; L138-L167 CarbonylContact O-C 3.43Å; L138-L167 WeakPolarHBondContact O-CA 3.14Å; T153-L167 HydrophobicContact CG2-CD2 4.35Å; A156-L167 HydrophobicContact CB-CD1 4.24Å; A156-L167 HydrophobicContact CB-CD2 3.75Å; Q157-L167 HydrophobicContact CB-CD2 4.07Å; A160-L167 HydrophobicContact CB-CB 3.94Å |
| 168 | F | 95.3 | Very high | 83.6 | Confident | 56 Ų | 56 | 63.6 Ų | 63.6 | 25% | 0.246 | 35% | 0.35 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.8 | 134.3 | 166.4 | -60.2 | -86.7 | 0 | 0 | 0 | 109.6 | I137 L138 V139 G140 P166 I192 T195 | I137-F168 HydrophobicContact CB-CE2 4.37Å; I137-F168 HydrophobicContact CD1-CD2 4.31Å; I137-F168 HydrophobicContact CD1-CE2 4.37Å; I137-F168 HydrophobicContact CG2-CE2 4.4Å; L138-F168 PolarHBondContact O-N 3.34Å; V139-F168 CarbonylContact C-O 3.56Å; V139-F168 VanDerWaalsContact CA-O 3.25Å; V139-F168 WeakPolarHBondContact CA-O 3.19Å; G140-F168 PolarHBondContact N-O 3.4Å; P166-F168 HydrophobicContact CB-CE2 3.93Å; P166-F168 HydrophobicContact CB-CZ 4.32Å; P166-F168 HydrophobicContact CG-CE2 3.92Å; F168-I192 HydrophobicContact CB-CD1 3.67Å; F168-I192 HydrophobicContact CB-CG1 3.75Å; F168-I192 HydrophobicContact CD1-CG1 3.84Å; F168-I192 HydrophobicContact CD2-CG1 4.32Å; F168-I192 HydrophobicContact CD2-CG2 4.39Å; F168-I192 HydrophobicContact CG-CD1 4.22Å; F168-I192 HydrophobicContact CG-CG1 3.72Å; F168-T195 HydrophobicContact CZ-CG2 4.33Å |
| 169 | E | 93.2 | Very high | 81 | Confident | 67 Ų | 67 | 61 Ų | 61 | 31% | 0.313 | 36% | 0.36 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.7 | 131.7 | 168.7 | -68.3 | -179.1 | 161.8 | 0 | 0 | 109 | G140 C143 T153 | G140-E169 CarbonylContact O-C 3.39Å; G140-E169 VanDerWaalsContact O-CA 3.32Å; G140-E169 WeakPolarHBondContact O-CA 3.4Å; C143-E169 HydrophobicContact CB-CB 4.48Å; T153-E169 WeakPolarHBondContact CB-OE1 3.37Å; T153-E169 WeakPolarHBondContact CG2-OE1 3.21Å; T153-E169 PolarHBondContact OG1-OE1 3.29Å; T153-E169 PolarHBondContact OG1-OE2 3.46Å |
| 170 | T | 92.5 | Very high | 78.3 | Confident | 0 Ų | 0 | 66.4 Ų | 66.4 | 0% | 0 | 39% | 0.39 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -150.4 | 167.8 | -174.2 | -170.2 | 0 | 0 | 0 | 0 | 111.8 | L42 V139 G140 N141 K142 C143 V189 I192 | L42-T170 HydrophobicContact CD2-CG2 3.75Å; V139-T170 HydrophobicContact CG1-CG2 3.52Å; G140-T170 PolarHBondContact O-N 3.24Å; N141-T170 CarbonylContact C-O 3.55Å; N141-T170 VanDerWaalsContact CA-O 3.26Å; N141-T170 WeakPolarHBondContact CA-O 3.32Å; N141-T170 PolarHBondContact OD1-O 2.61Å; K142-T170 PolarHBondContact N-O 3.06Å; C143-T170 PolarHBondContact N-O 2.85Å; C143-T170 VanDerWaalsContact N-O 3.16Å; C143-T170 VanDerWaalsContact SG-CA 3.56Å; C143-T170 PolarHBondContact SG-O 3.24Å; C143-T170 VanDerWaalsContact SG-O 3.33Å; T170-V189 VanDerWaalsContact OG1-CG2 3.32Å; T170-V189 WeakPolarHBondContact OG1-CG2 3.39Å; T170-I192 HydrophobicContact CG2-CD1 3.77Å |
| 171 | S | 91.8 | Very high | 75.8 | Confident | 5 Ų | 5 | 70 Ų | 70 | 4% | 0.035 | 43% | 0.428 | C | S | . | . | trans | -127.1 | 121.8 | 166.8 | 177.5 | 0 | 0 | 0 | 0 | 110 | D144 K173 S174 | D144-S171 WeakPolarHBondContact OD1-CB 3.31Å; D144-S171 PolarHBondContact OD1-OG 3.17Å; S171-K173 PolarHBondContact O-N 3.24Å; S171-K173 PolarHBondContact OG-N 3.28Å; S171-S174 WeakPolarHBondContact CB-OG 3.29Å; S171-S174 PolarHBondContact OG-N 3.04Å | ||
| 172 | A | 89.8 | Confident | 73.3 | Confident | 2 Ų | 2 | 69 Ų | 69 | 2% | 0.017 | 43% | 0.428 | C | S | . | . | S | Bend | trans | -62.9 | -30.9 | 166.9 | 0 | 0 | 0 | 0 | 0 | 112.1 | C41 L42 R45 F51 N141 | C41-A172 HydrophobicContact CB-CB 3.53Å; L42-A172 HydrophobicContact CD2-CB 3.86Å; L42-A172 HydrophobicContact CG-CB 4.09Å; R45-A172 PolarHBondContact NE-O 2.97Å; R45-A172 PolarHBondContact NH2-O 3.08Å; F51-A172 HydrophobicContact CD2-CB 4.37Å; F51-A172 VanDerWaalsContact CD2-O 3.27Å; F51-A172 WeakPolarHBondContact CD2-O 3.42Å; F51-A172 HydrophobicContact CE2-CB 4.13Å; N141-A172 PolarHBondContact OD1-N 3.13Å; N141-A172 VanDerWaalsContact OD1-N 3.1Å |
| 173 | K | 85.1 | Confident | 70.8 | Confident | 123 Ų | 123 | 68.3 Ų | 68.3 | 54% | 0.535 | 43% | 0.426 | S | S | . | . | S | Bend | trans | -83.3 | -26.1 | -172 | -171.2 | 179 | 175.6 | -169.7 | 0 | 112.9 | F51 S171 | F51-K173 VanDerWaalsContact CD2-CA 3.5Å; F51-K173 HydrophobicContact CD2-CB 4.1Å; F51-K173 HydrophobicContact CD2-CG 4.45Å; F51-K173 HydrophobicContact CE1-CG 4.31Å; F51-K173 HydrophobicContact CE2-CB 3.75Å; F51-K173 HydrophobicContact CE2-CG 4.22Å; F51-K173 HydrophobicContact CZ-CB 4.1Å; F51-K173 HydrophobicContact CZ-CG 4.15Å; S171-K173 PolarHBondContact O-N 3.24Å; S171-K173 PolarHBondContact OG-N 3.28Å |
| 174 | S | 68.8 | Low | 68.8 | Low | 8 Ų | 8 | 74.7 Ų | 74.7 | 6% | 0.056 | 45% | 0.448 | C | S | . | . | trans | -32.2 | 129.1 | -164.3 | -95.3 | 0 | 0 | 0 | 0 | 113.4 | S171 N176 D185 | S171-S174 WeakPolarHBondContact CB-OG 3.29Å; S171-S174 PolarHBondContact OG-N 3.04Å; S174-N176 PolarHBondContact O-N 3.36Å; S174-D185 VanDerWaalsContact CB-CB 3.43Å; S174-D185 WeakPolarHBondContact OG-CB 3.45Å; S174-D185 PolarHBondContact OG-OD2 3.33Å | ||
| 175 | P | 51.9 | Low | 66.8 | Low | 107 Ų | 107 | 73.1 Ų | 73.1 | 70% | 0.695 | 43% | 0.432 | S | S | * | . | trans | -62.8 | 108.5 | -171.1 | 26.3 | -33.4 | 0 | 0 | 0 | 109.5 | S177 | P175-S177 PolarHBondContact O-N 2.93Å; P175-S177 VanDerWaalsContact O-N 3.09Å | ||
| 176 | N | 44.7 | Very low | 64.9 | Low | 89 Ų | 89 | 74.5 Ų | 74.5 | 48% | 0.476 | 44% | 0.442 | S | S | . | . | trans | -67 | 109.5 | 157.7 | -85.8 | 2.5 | 0 | 0 | 0 | 107.4 | S174 | S174-N176 PolarHBondContact O-N 3.36Š| ||
| 177 | S | 47.4 | Very low | 63.5 | Low | 86 Ų | 86 | 75.7 Ų | 75.7 | 60% | 0.601 | 45% | 0.446 | S | S | * | . | 67.8 | 78.2 | 127.4 | -40.5 | 0 | 0 | 0 | 0 | 116.9 | P175 | P175-S177 PolarHBondContact O-N 2.93Å; P175-S177 VanDerWaalsContact O-N 3.09Å | |||
| 178 | L | 40.5 | Very low | 62.9 | Low | 189 Ų | 189 | 78.8 Ų | 78.8 | 99% | 0.99 | 46% | 0.459 | S | S | * | . | S | Bend | trans | -101.9 | 90.5 | 143.7 | -79.2 | 162.1 | 0 | 0 | 0 | 107.9 | ||
| 179 | G | 44.4 | Very low | 62.7 | Low | 83 Ų | 83 | 76.3 Ų | 76.3 | 86% | 0.856 | 45% | 0.449 | S | S | * | . | S | Bend | trans | 103.1 | 2.8 | 146.6 | 0 | 0 | 0 | 0 | 0 | 121.2 | ||
| 180 | D | 40.2 | Very low | 62.6 | Low | 144 Ų | 144 | 75.7 Ų | 75.7 | 77% | 0.77 | 45% | 0.446 | S | S | * | . | trans | -144.2 | 134.1 | 170.8 | -166.4 | 6.7 | 0 | 0 | 0 | 111.3 | S182 | D180-S182 PolarHBondContact O-N 2.9Š| ||
| 181 | G | 44.5 | Very low | 62.5 | Low | 77 Ų | 77 | 78 Ų | 78 | 79% | 0.794 | 47% | 0.465 | S | S | * | . | trans | -71.7 | 36.5 | -167.2 | 0 | 0 | 0 | 0 | 0 | 115.7 | ||||
| 182 | S | 42.2 | Very low | 62.6 | Low | 74 Ų | 74 | 78.1 Ų | 78.1 | 52% | 0.517 | 47% | 0.465 | S | S | . | . | trans | -108.4 | 83.7 | 175.8 | 170.8 | 0 | 0 | 0 | 0 | 110.7 | D180 R184 | D180-S182 PolarHBondContact O-N 2.9Å; S182-R184 PolarHBondContact O-N 3.12Å | ||
| 183 | C | 44.5 | Very low | 62.8 | Low | 92 Ų | 92 | 78.2 Ų | 78.2 | 62% | 0.622 | 47% | 0.465 | S | S | * | . | trans | -58.5 | 108.1 | 161 | -43 | 0 | 0 | 0 | 0 | 108.5 | ||||
| 184 | R | 50.6 | Low | 63.3 | Low | 184 Ų | 184 | 74 Ų | 74 | 69% | 0.694 | 45% | 0.448 | S | S | * | . | trans | -126.4 | -35.9 | 171.5 | -81 | -179 | 133.5 | -179.9 | -5.5 | 112.8 | S182 H188 | S182-R184 PolarHBondContact O-N 3.12Å; R184-H188 PolarHBondContact O-CD2 3.11Å; R184-H188 VanDerWaalsContact O-CD2 3.29Å; R184-H188 PolarHBondContact O-NE2 3.07Å | ||
| 185 | D | 50.6 | Low | 64.4 | Low | 70 Ų | 70 | 77 Ų | 77 | 37% | 0.374 | 47% | 0.466 | S | S | . | . | S | Bend | trans | -97.6 | -30 | -169.8 | -64.6 | -14 | 0 | 0 | 0 | 115.1 | S174 D187 H188 | S174-D185 VanDerWaalsContact CB-CB 3.43Å; S174-D185 WeakPolarHBondContact OG-CB 3.45Å; S174-D185 PolarHBondContact OG-OD2 3.33Å; D185-D187 PolarHBondContact O-N 3.06Å; D185-H188 PolarHBondContact O-N 3.02Å; D185-H188 IonicContact OD1-CE1 2.76Å |
| 186 | S | 53.7 | Low | 66.4 | Low | 35 Ų | 35 | 72.1 Ų | 72.1 | 25% | 0.245 | 43% | 0.434 | C | S | . | . | H | α-helix | trans | -62.9 | -22.5 | 169.8 | -172.8 | 0 | 0 | 0 | 0 | 111.6 | H188 | S186-H188 VanDerWaalsContact C-N 3.34Å |
| 187 | D | 65.8 | Low | 68.7 | Low | 77 Ų | 77 | 67.9 Ų | 67.9 | 41% | 0.412 | 41% | 0.411 | S | S | . | . | H | α-helix | trans | -77.2 | -21.6 | 180 | -58 | -31.7 | 0 | 0 | 0 | 111.8 | D185 A191 | D185-D187 PolarHBondContact O-N 3.06Å; D187-A191 WeakPolarHBondContact O-CB 3.37Å; D187-A191 PolarHBondContact O-N 3.37Å |
| 188 | H | 83.3 | Confident | 70.9 | Confident | 87 Ų | 87 | 67.7 Ų | 67.7 | 40% | 0.403 | 40% | 0.401 | S | S | . | . | H | α-helix | trans | -72.3 | -44.8 | -178.3 | -67.5 | 172.9 | 0 | 0 | 0 | 112.3 | R184 D185 S186 E190 A191 I192 | R184-H188 PolarHBondContact O-CD2 3.11Å; R184-H188 VanDerWaalsContact O-CD2 3.29Å; R184-H188 PolarHBondContact O-NE2 3.07Å; D185-H188 PolarHBondContact O-N 3.02Å; D185-H188 IonicContact OD1-CE1 2.76Å; S186-H188 VanDerWaalsContact C-N 3.34Å; H188-E190 VanDerWaalsContact C-N 3.31Å; H188-E190 PolarHBondContact O-N 3.34Å; H188-A191 PolarHBondContact O-N 2.99Å; H188-I192 WeakPolarHBondContact O-CD1 3.47Å; H188-I192 WeakPolarHBondContact O-CG1 3.4Å; H188-I192 PolarHBondContact O-N 3.17Å |
| 189 | V | 90.7 | Very high | 73.3 | Confident | 3 Ų | 3 | 63.2 Ų | 63.2 | 2% | 0.018 | 37% | 0.373 | C | S | . | . | H | α-helix | trans | -62.9 | -42 | 174.9 | 179.1 | 0 | 0 | 0 | 0 | 110.4 | L42 R45 F46 T170 I192 F193 | L42-V189 HydrophobicContact CD2-CG1 4.26Å; L42-V189 HydrophobicContact CD2-CG2 3.84Å; R45-V189 HydrophobicContact CB-CG1 4.27Å; R45-V189 HydrophobicContact CG-CB 4.06Å; R45-V189 HydrophobicContact CG-CG1 3.94Å; R45-V189 HydrophobicContact CG-CG2 4.12Å; F46-V189 HydrophobicContact CB-CG1 4.21Å; T170-V189 VanDerWaalsContact OG1-CG2 3.32Å; T170-V189 WeakPolarHBondContact OG1-CG2 3.39Å; V189-I192 PolarHBondContact O-N 3.1Å; V189-F193 HydrophobicContact CG1-CD2 4.05Å; V189-F193 HydrophobicContact CG1-CE2 3.98Å; V189-F193 WeakPolarHBondContact O-CD2 3.31Å; V189-F193 PolarHBondContact O-N 3.26Å |
| 190 | E | 91 | Very high | 75.6 | Confident | 55 Ų | 55 | 59.9 Ų | 59.9 | 26% | 0.257 | 34% | 0.336 | S | S | . | . | H | α-helix | trans | -58.5 | -51.6 | 174.7 | -170.8 | 70.6 | -179.4 | 0 | 0 | 111.2 | F46 R66 H188 I192 F193 M194 | F46-E190 WeakPolarHBondContact CD2-OE2 3.47Å; F46-E190 WeakPolarHBondContact CE2-OE2 3.42Å; R66-E190 IonicContact CZ-OE1 2.72Å; R66-E190 VanDerWaalsContact CZ-OE1 3.26Å; R66-E190 IonicContact CZ-OE2 2.67Å; R66-E190 VanDerWaalsContact NH1-CD 3.26Å; R66-E190 IonicContact NH1-OE1 3.87Å; R66-E190 PolarHBondContact NH1-OE1 3.47Å; R66-E190 IonicContact NH1-OE2 3.44Å; R66-E190 PolarHBondContact NH1-OE2 3.18Å; R66-E190 IonicContact NH2-OE1 3.66Å; R66-E190 PolarHBondContact NH2-OE1 3.45Å; R66-E190 IonicContact NH2-OE2 2.82Å; H188-E190 VanDerWaalsContact C-N 3.31Å; H188-E190 PolarHBondContact O-N 3.34Å; E190-I192 VanDerWaalsContact C-N 3.3Å; E190-I192 PolarHBondContact O-N 3.34Å; E190-F193 PolarHBondContact O-N 2.97Å; E190-M194 HydrophobicContact CG-CG 4.1Å; E190-M194 VanDerWaalsContact O-CB 3.3Å; E190-M194 WeakPolarHBondContact O-CB 3.31Å; E190-M194 VanDerWaalsContact O-CG 3.24Å; E190-M194 WeakPolarHBondContact O-CG 3.5Å; E190-M194 PolarHBondContact O-N 3.2Å |
| 191 | A | 91.3 | Very high | 78 | Confident | 48 Ų | 48 | 54.9 Ų | 54.9 | 40% | 0.397 | 31% | 0.307 | S | S | . | . | H | α-helix | trans | -59.1 | -39.1 | -178.5 | 0 | 0 | 0 | 0 | 0 | 112.3 | D187 H188 T195 | D187-A191 WeakPolarHBondContact O-CB 3.37Å; D187-A191 PolarHBondContact O-N 3.37Å; H188-A191 PolarHBondContact O-N 2.99Å; A191-T195 WeakPolarHBondContact O-CB 3.38Å; A191-T195 PolarHBondContact O-N 2.71Å; A191-T195 PolarHBondContact O-OG1 3.09Å |
| 192 | I | 93.8 | Very high | 80 | Confident | 8 Ų | 8 | 55.6 Ų | 55.6 | 4% | 0.041 | 30% | 0.3 | C | S | . | . | H | α-helix | trans | -60.4 | -55.6 | 178 | -68.6 | 163.9 | 0 | 0 | 0 | 110.6 | I137 V139 F168 T170 H188 V189 E190 T195 V196 | I137-I192 HydrophobicContact CD1-CG2 3.51Å; V139-I192 HydrophobicContact CG1-CD1 4.44Å; V139-I192 HydrophobicContact CG2-CG2 4.14Å; F168-I192 HydrophobicContact CB-CD1 3.67Å; F168-I192 HydrophobicContact CB-CG1 3.75Å; F168-I192 HydrophobicContact CD1-CG1 3.84Å; F168-I192 HydrophobicContact CD2-CG1 4.32Å; F168-I192 HydrophobicContact CD2-CG2 4.39Å; F168-I192 HydrophobicContact CG-CD1 4.22Å; F168-I192 HydrophobicContact CG-CG1 3.72Å; T170-I192 HydrophobicContact CG2-CD1 3.77Å; H188-I192 WeakPolarHBondContact O-CD1 3.47Å; H188-I192 WeakPolarHBondContact O-CG1 3.4Å; H188-I192 PolarHBondContact O-N 3.17Å; V189-I192 PolarHBondContact O-N 3.1Å; E190-I192 VanDerWaalsContact C-N 3.3Å; E190-I192 PolarHBondContact O-N 3.34Å; I192-T195 PolarHBondContact O-N 3.47Å; I192-V196 WeakPolarHBondContact O-CG2 3.17Å; I192-V196 PolarHBondContact O-N 3.04Å; I192-V196 VanDerWaalsContact O-N 3.11Å |
| 193 | F | 94.7 | Very high | 81.8 | Confident | 4 Ų | 4 | 55.3 Ų | 55.3 | 2% | 0.018 | 29% | 0.29 | C | S | . | . | H | α-helix | trans | -71 | -34.1 | -176.7 | -73.8 | -71.2 | 0 | 0 | 0 | 112.4 | V31 F46 L79 V104 V189 E190 V196 A197 | V31-F193 HydrophobicContact CG2-CE1 4.44Å; F46-F193 HydrophobicContact CB-CD2 3.65Å; F46-F193 HydrophobicContact CB-CE2 3.93Å; F46-F193 HydrophobicContact CB-CG 4.4Å; F46-F193 HydrophobicContact CD1-CB 4.3Å; F46-F193 HydrophobicContact CD1-CD2 4.37Å; F46-F193 HydrophobicContact CD1-CG 4.3Å; F46-F193 HydrophobicContact CD2-CB 3.55Å; F46-F193 AromaticContact CD2-CD2 3.74Å; F46-F193 HydrophobicContact CD2-CD2 3.74Å; F46-F193 AromaticContact CD2-CG 3.95Å; F46-F193 HydrophobicContact CD2-CG 3.95Å; F46-F193 HydrophobicContact CE1-CB 4.18Å; F46-F193 HydrophobicContact CE2-CB 3.43Å; F46-F193 VanDerWaalsContact CE2-CB 3.43Å; F46-F193 HydrophobicContact CE2-CD2 4.5Å; F46-F193 HydrophobicContact CE2-CG 4.29Å; F46-F193 HydrophobicContact CG-CB 3.98Å; F46-F193 AromaticContact CG-CD2 3.64Å; F46-F193 HydrophobicContact CG-CD2 3.64Å; F46-F193 HydrophobicContact CG-CE2 4.35Å; F46-F193 AromaticContact CG-CG 3.94Å; F46-F193 HydrophobicContact CG-CG 3.94Å; F46-F193 HydrophobicContact CZ-CB 3.76Å; L79-F193 HydrophobicContact CD1-CD1 4.35Å; L79-F193 HydrophobicContact CD1-CE1 4.03Å; L79-F193 HydrophobicContact CD1-CZ 4.12Å; L79-F193 HydrophobicContact CD2-CD1 3.76Å; L79-F193 HydrophobicContact CD2-CE1 3.63Å; L79-F193 HydrophobicContact CD2-CZ 4.49Å; V104-F193 HydrophobicContact CG2-CE1 4.2Å; V189-F193 HydrophobicContact CG1-CD2 4.05Å; V189-F193 HydrophobicContact CG1-CE2 3.98Å; V189-F193 WeakPolarHBondContact O-CD2 3.31Å; V189-F193 PolarHBondContact O-N 3.26Å; E190-F193 PolarHBondContact O-N 2.97Å; F193-V196 PolarHBondContact O-N 3.36Å; F193-A197 WeakPolarHBondContact O-CB 3.27Å; F193-A197 PolarHBondContact O-N 3.5Å |
| 194 | M | 94.3 | Very high | 82.3 | Confident | 34 Ų | 34 | 60 Ų | 60 | 17% | 0.167 | 30% | 0.3 | C | S | . | . | H | α-helix | trans | -65.9 | -40.3 | 172.7 | -69.9 | -57.5 | -68.1 | 0 | 0 | 111.6 | F46 V68 I70 E190 V196 A197 H198 | F46-M194 HydrophobicContact CE2-CG 4.46Å; V68-M194 HydrophobicContact CB-CE 4.48Å; V68-M194 HydrophobicContact CB-SD 4.23Å; V68-M194 HydrophobicContact CG1-SD 4.03Å; V68-M194 HydrophobicContact CG2-SD 4.42Å; I70-M194 HydrophobicContact CD1-CE 4.05Å; I70-M194 HydrophobicContact CG1-CE 3.81Å; E190-M194 HydrophobicContact CG-CG 4.1Å; E190-M194 VanDerWaalsContact O-CB 3.3Å; E190-M194 WeakPolarHBondContact O-CB 3.31Å; E190-M194 VanDerWaalsContact O-CG 3.24Å; E190-M194 WeakPolarHBondContact O-CG 3.5Å; E190-M194 PolarHBondContact O-N 3.2Å; M194-V196 VanDerWaalsContact C-N 3.33Å; M194-V196 PolarHBondContact O-N 2.97Å; M194-A197 PolarHBondContact O-N 3.44Å; M194-A197 VanDerWaalsContact O-N 3.14Å; M194-H198 WeakPolarHBondContact O-CB 3.39Å; M194-H198 PolarHBondContact O-CD2 2.78Å; M194-H198 PolarHBondContact O-N 2.91Å |
| 195 | T | 93 | Very high | 82.1 | Confident | 70 Ų | 70 | 55.2 Ų | 55.2 | 43% | 0.429 | 29% | 0.293 | S | S | . | . | H | α-helix | trans | -60.1 | -43.8 | 175.1 | -63.3 | 0 | 0 | 0 | 0 | 111.3 | F168 A191 I192 H198 K199 | F168-T195 HydrophobicContact CZ-CG2 4.33Å; A191-T195 WeakPolarHBondContact O-CB 3.38Å; A191-T195 PolarHBondContact O-N 2.71Å; A191-T195 PolarHBondContact O-OG1 3.09Å; I192-T195 PolarHBondContact O-N 3.47Å; T195-H198 PolarHBondContact O-N 3.42Å; T195-K199 WeakPolarHBondContact O-CB 3.44Å; T195-K199 PolarHBondContact O-N 3.44Å |
| 196 | V | 93.4 | Very high | 81.9 | Confident | 6 Ų | 6 | 58.4 Ų | 58.4 | 4% | 0.036 | 31% | 0.31 | C | S | . | . | H | α-helix | trans | -61 | -46 | 174.1 | 176.6 | 0 | 0 | 0 | 0 | 110.6 | I29 A102 I137 I192 F193 M194 K199 L200 | I29-V196 HydrophobicContact CD1-CB 4.43Å; I29-V196 HydrophobicContact CD1-CG1 3.79Å; I29-V196 HydrophobicContact CG1-CG1 4.44Å; A102-V196 HydrophobicContact CB-CG1 3.47Å; A102-V196 VanDerWaalsContact CB-CG1 3.47Å; I137-V196 HydrophobicContact CD1-CG2 3.56Å; I137-V196 HydrophobicContact CG1-CG2 4.21Å; I137-V196 HydrophobicContact CG2-CG2 4.02Å; I192-V196 WeakPolarHBondContact O-CG2 3.17Å; I192-V196 PolarHBondContact O-N 3.04Å; I192-V196 VanDerWaalsContact O-N 3.11Å; F193-V196 PolarHBondContact O-N 3.36Å; M194-V196 VanDerWaalsContact C-N 3.33Å; M194-V196 PolarHBondContact O-N 2.97Å; V196-K199 PolarHBondContact O-N 2.72Å; V196-L200 HydrophobicContact CG1-CD1 4.03Å; V196-L200 HydrophobicContact CG1-CG 4.32Å; V196-L200 VanDerWaalsContact O-CG 3.29Å; V196-L200 WeakPolarHBondContact O-CG 2.83Å; V196-L200 PolarHBondContact O-N 3.24Å |
| 197 | A | 93.7 | Very high | 81.1 | Confident | 0 Ų | 0 | 62.9 Ų | 62.9 | 0% | 0 | 34% | 0.335 | C | S | . | . | H | α-helix | trans | -64.8 | -41.4 | -179.3 | 0 | 0 | 0 | 0 | 0 | 113 | F27 I70 I77 F193 M194 L200 K201 | F27-A197 HydrophobicContact CD2-CB 4.43Å; F27-A197 WeakPolarHBondContact CE2-O 3.38Å; I70-A197 HydrophobicContact CD1-CB 3.43Å; I70-A197 VanDerWaalsContact CD1-CB 3.43Å; I77-A197 HydrophobicContact CD1-CB 3.65Å; I77-A197 HydrophobicContact CG1-CB 4.26Å; F193-A197 WeakPolarHBondContact O-CB 3.27Å; F193-A197 PolarHBondContact O-N 3.5Å; M194-A197 PolarHBondContact O-N 3.44Å; M194-A197 VanDerWaalsContact O-N 3.14Å; A197-L200 PolarHBondContact O-N 3.15Å; A197-K201 WeakPolarHBondContact O-CB 3.06Å; A197-K201 PolarHBondContact O-N 3.43Å |
| 198 | H | 92.8 | Very high | 79.9 | Confident | 81 Ų | 81 | 66.1 Ų | 66.1 | 38% | 0.375 | 35% | 0.352 | S | S | . | . | H | α-helix | trans | -61 | -44.9 | 172 | -85.6 | -83.5 | 0 | 0 | 0 | 111.3 | I70 D71 M194 T195 L200 K201 S202 | I70-H198 VanDerWaalsContact CG2-CE1 3.42Å; I70-H198 WeakPolarHBondContact CG2-CE1 3.23Å; I70-H198 WeakPolarHBondContact CG2-ND1 3.23Å; D71-H198 IonicContact OD1-CE1 3.88Å; M194-H198 WeakPolarHBondContact O-CB 3.39Å; M194-H198 PolarHBondContact O-CD2 2.78Å; M194-H198 PolarHBondContact O-N 2.91Å; T195-H198 PolarHBondContact O-N 3.42Å; H198-L200 PolarHBondContact O-N 2.78Å; H198-K201 PolarHBondContact O-N 3.3Å; H198-S202 WeakPolarHBondContact O-CB 3.08Å; H198-S202 PolarHBondContact O-N 2.74Å; H198-S202 PolarHBondContact O-OG 2.95Å |
| 199 | K | 91.1 | Very high | 77.6 | Confident | 95 Ų | 95 | 67 Ų | 67 | 41% | 0.413 | 37% | 0.368 | S | S | . | . | H | α-helix | trans | -59.9 | -46.2 | 176.8 | -172.2 | 169.5 | -177.1 | 174.3 | 0 | 111.2 | P135 T195 V196 K201 S202 Q203 | P135-K199 HydrophobicContact CB-CD 4.02Å; T195-K199 WeakPolarHBondContact O-CB 3.44Å; T195-K199 PolarHBondContact O-N 3.44Å; V196-K199 PolarHBondContact O-N 2.72Å; K199-K201 VanDerWaalsContact C-N 3.34Å; K199-K201 PolarHBondContact O-N 2.84Å; K199-S202 WeakPolarHBondContact CA-OG 3.47Å; K199-S202 PolarHBondContact O-N 2.94Å; K199-S202 PolarHBondContact O-OG 3.26Å; K199-Q203 WeakPolarHBondContact O-CG 3.29Å; K199-Q203 PolarHBondContact O-N 3.17Å |
| 200 | L | 91.9 | Very high | 75.1 | Confident | 13 Ų | 13 | 73.7 Ų | 73.7 | 7% | 0.068 | 40% | 0.399 | C | S | . | . | H | α-helix | trans | -62.3 | -38.2 | 176.3 | -71.1 | 176.6 | 0 | 0 | 0 | 113.1 | F27 I29 H101 A102 P135 V196 A197 H198 | F27-L200 HydrophobicContact CB-CD1 3.75Å; F27-L200 HydrophobicContact CD1-CB 4.16Å; F27-L200 HydrophobicContact CD1-CD1 4.21Å; F27-L200 HydrophobicContact CD2-CB 3.82Å; F27-L200 HydrophobicContact CD2-CD1 3.95Å; F27-L200 HydrophobicContact CE1-CB 4.03Å; F27-L200 HydrophobicContact CE2-CB 3.66Å; F27-L200 HydrophobicContact CG-CB 4.08Å; F27-L200 HydrophobicContact CG-CD1 3.72Å; F27-L200 HydrophobicContact CZ-CB 3.79Å; I29-L200 HydrophobicContact CG1-CD1 4.42Å; H101-L200 HydrophobicContact CB-CD1 3.98Å; H101-L200 HydrophobicContact CB-CD2 3.98Å; H101-L200 VanDerWaalsContact O-CD2 3.24Å; H101-L200 WeakPolarHBondContact O-CD2 3.24Å; A102-L200 HydrophobicContact CB-CD1 3.99Å; A102-L200 HydrophobicContact CB-CD2 4.28Å; A102-L200 HydrophobicContact CB-CG 4.43Å; P135-L200 HydrophobicContact CG-CD2 3.51Å; P135-L200 HydrophobicContact CG-CG 4.26Å; V196-L200 HydrophobicContact CG1-CD1 4.03Å; V196-L200 HydrophobicContact CG1-CG 4.32Å; V196-L200 VanDerWaalsContact O-CG 3.29Å; V196-L200 WeakPolarHBondContact O-CG 2.83Å; V196-L200 PolarHBondContact O-N 3.24Å; A197-L200 PolarHBondContact O-N 3.15Å; H198-L200 PolarHBondContact O-N 2.78Å |
| 201 | K | 90.7 | Very high | 72.6 | Confident | 39 Ų | 39 | 76 Ų | 76 | 17% | 0.17 | 42% | 0.419 | C | S | . | . | H | α-helix | trans | -67.8 | -37.6 | 175.4 | -170.2 | -171.8 | 175.8 | -167 | 0 | 112.2 | F27 I70 D71 E73 I75 A197 H198 K199 | F27-K201 HydrophobicContact CE2-CB 4.2Å; F27-K201 HydrophobicContact CZ-CB 4.23Å; I70-K201 HydrophobicContact CB-CD 4.11Å; I70-K201 HydrophobicContact CG2-CD 3.5Å; I70-K201 PolarHBondContact O-NZ 3.11Å; D71-K201 PolarHBondContact O-NZ 2.88Å; D71-K201 IonicContact OD2-NZ 3.26Å; D71-K201 PolarHBondContact OD2-NZ 3.37Å; E73-K201 WeakPolarHBondContact OE2-CE 3.29Å; I75-K201 HydrophobicContact CD1-CB 4.29Å; I75-K201 HydrophobicContact CD1-CD 3.9Å; I75-K201 HydrophobicContact CD1-CG 4.06Å; A197-K201 WeakPolarHBondContact O-CB 3.06Å; A197-K201 PolarHBondContact O-N 3.43Å; H198-K201 PolarHBondContact O-N 3.3Å; K199-K201 VanDerWaalsContact C-N 3.34Å; K199-K201 PolarHBondContact O-N 2.84Å |
| 202 | S | 86.9 | Confident | 70 | Confident | 92 Ų | 92 | 80 Ų | 80 | 64% | 0.643 | 44% | 0.441 | S | S | * | . | H | α-helix | trans | -74.5 | -25.7 | -179.5 | 72.8 | 0 | 0 | 0 | 0 | 113.5 | H198 K199 K204 | H198-S202 WeakPolarHBondContact O-CB 3.08Å; H198-S202 PolarHBondContact O-N 2.74Å; H198-S202 PolarHBondContact O-OG 2.95Å; K199-S202 WeakPolarHBondContact CA-OG 3.47Å; K199-S202 PolarHBondContact O-N 2.94Å; K199-S202 PolarHBondContact O-OG 3.26Å; S202-K204 PolarHBondContact O-N 3.21Å |
| 203 | Q | 80.5 | Confident | 67.4 | Low | 68 Ų | 68 | 88.9 Ų | 88.9 | 32% | 0.318 | 48% | 0.482 | S | S | . | . | S | Bend | trans | -63.8 | 123.5 | 168.5 | -74.2 | -179.3 | -32.8 | 0 | 0 | 107.8 | E133 K199 | E133-Q203 PolarHBondContact O-NE2 2.82Å; K199-Q203 WeakPolarHBondContact O-CG 3.29Å; K199-Q203 PolarHBondContact O-N 3.17Å |
| 204 | K | 55.3 | Low | 64.7 | Low | 190 Ų | 190 | 92.3 Ų | 92.3 | 83% | 0.826 | 52% | 0.518 | S | S | * | . | P | Polyproline II helix | trans | -47.7 | 136.8 | -179.1 | -74.1 | 179 | -179.8 | 175.8 | 0 | 108.8 | S202 L206 | S202-K204 PolarHBondContact O-N 3.21Å; K204-L206 PolarHBondContact O-N 3.27Å |
| 205 | P | 45.6 | Very low | 62 | Low | 85 Ų | 85 | 96.4 Ų | 96.4 | 55% | 0.552 | 55% | 0.55 | S | S | * | * | P | Polyproline II helix | trans | -56.4 | 120.1 | -175.2 | -5.8 | 11 | 0 | 0 | 0 | 108.7 | V207 | P205-V207 VanDerWaalsContact C-N 3.3Å; P205-V207 PolarHBondContact O-N 2.76Å |
| 206 | L | 45.9 | Very low | 59.6 | Low | 137 Ų | 137 | 97.1 Ų | 97.1 | 72% | 0.717 | 57% | 0.572 | S | S | * | * | trans | -55.9 | 104.9 | 162.6 | -71.2 | 172.6 | 0 | 0 | 0 | 105.7 | K204 L208 | K204-L206 PolarHBondContact O-N 3.27Å; L206-L208 PolarHBondContact O-N 3.25Å | ||
| 207 | V | 38.3 | Very low | 56.8 | Low | 128 Ų | 128 | 99.8 Ų | 99.8 | 78% | 0.776 | 60% | 0.6 | S | S | * | * | trans | -54.1 | 115 | 171.9 | 173.9 | 0 | 0 | 0 | 0 | 105.5 | P205 S209 | P205-V207 VanDerWaalsContact C-N 3.3Å; P205-V207 PolarHBondContact O-N 2.76Å; V207-S209 PolarHBondContact O-N 3.18Å | ||
| 208 | L | 39.3 | Very low | 54.1 | Low | 145 Ų | 145 | 106.1 Ų | 106.1 | 76% | 0.759 | 64% | 0.639 | S | S | * | * | trans | -64.3 | 92.9 | 169.6 | -156.1 | 92.3 | 0 | 0 | 0 | 105.7 | L206 Q210 | L206-L208 PolarHBondContact O-N 3.25Å; L208-Q210 VanDerWaalsContact C-N 3.34Å; L208-Q210 PolarHBondContact O-N 3.21Å | ||
| 209 | S | 36 | Very low | 51.5 | Low | 106 Ų | 106 | 109.5 Ų | 109.5 | 74% | 0.741 | 66% | 0.658 | S | S | * | * | trans | -64.7 | 99 | 173.5 | 53.3 | 0 | 0 | 0 | 0 | 107.3 | V207 | V207-S209 PolarHBondContact O-N 3.18Š| ||
| 210 | Q | 38.8 | Very low | 48.8 | Very low | 143 Ų | 143 | 110.4 Ų | 110.4 | 67% | 0.668 | 67% | 0.672 | S | S | * | * | trans | -62.4 | 142.3 | 159.5 | -75.1 | -179.5 | -32.3 | 0 | 0 | 107.9 | L208 | L208-Q210 VanDerWaalsContact C-N 3.34Å; L208-Q210 PolarHBondContact O-N 3.21Å | ||
| 211 | P | 36.6 | Very low | 46.1 | Very low | 105 Ų | 105 | 117.8 Ų | 117.8 | 68% | 0.682 | 71% | 0.71 | S | S | * | * | trans | -60.6 | 147.4 | 167.1 | 26.8 | -31.4 | 0 | 0 | 0 | 109 | E213 | P211-E213 PolarHBondContact O-N 3.23Š| ||
| 212 | P | 38.3 | Very low | 43.4 | Very low | 131 Ų | 131 | 121.1 Ų | 121.1 | 85% | 0.851 | 74% | 0.739 | S | S | * | * | trans | -62.2 | 114.1 | 178 | 24.7 | -31.2 | 0 | 0 | 0 | 109.5 | ||||
| 213 | E | 39.2 | Very low | 40.9 | Very low | 195 Ų | 195 | 120.9 Ų | 120.9 | 91% | 0.911 | 75% | 0.751 | S | S | * | * | trans | -74.2 | 123.8 | 161.8 | -74.5 | -165.6 | 124.8 | 0 | 0 | 108.7 | P211 | P211-E213 PolarHBondContact O-N 3.23Š| ||
| 214 | G | 36.9 | Very low | 38.6 | Very low | 76 Ų | 76 | 121.6 Ų | 121.6 | 78% | 0.784 | 78% | 0.776 | S | S | * | * | trans | 113.3 | 92 | 157.1 | 0 | 0 | 0 | 0 | 0 | 116.3 | ||||
| 215 | S | 37 | Very low | 37.6 | Very low | 120 Ų | 120 | 123.8 Ų | 123.8 | 84% | 0.839 | 78% | 0.779 | S | S | * | * | trans | -145.3 | 93.4 | 132.4 | -178 | 0 | 0 | 0 | 0 | 108.5 | G217 | S215-G217 PolarHBondContact O-N 3.03Å; S215-G217 VanDerWaalsContact O-N 3.15Å | ||
| 216 | G | 43.4 | Very low | 37.2 | Very low | 85 Ų | 85 | 126.3 Ų | 126.3 | 88% | 0.876 | 79% | 0.788 | S | S | * | * | trans | -62.1 | 109.7 | 163.3 | 0 | 0 | 0 | 0 | 0 | 109 | ||||
| 217 | G | 34 | Very low | 36.8 | Very low | 61 Ų | 61 | 126.7 Ų | 126.7 | 63% | 0.629 | 79% | 0.791 | S | S | * | * | trans | -117.6 | 103.2 | 169.2 | 0 | 0 | 0 | 0 | 0 | 109 | S215 I219 | S215-G217 PolarHBondContact O-N 3.03Å; S215-G217 VanDerWaalsContact O-N 3.15Å; G217-I219 PolarHBondContact O-N 3.15Å | ||
| 218 | T | 37.7 | Very low | 36.6 | Very low | 133 Ų | 133 | 123.1 Ų | 123.1 | 82% | 0.816 | 78% | 0.78 | S | S | * | * | trans | -53 | 114.5 | 167.7 | -61.4 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 219 | I | 37.9 | Very low | 36.3 | Very low | 152 Ų | 152 | 121.8 Ų | 121.8 | 78% | 0.779 | 78% | 0.783 | S | S | * | * | trans | -92.3 | 103.1 | 167.1 | -61.2 | 178 | 0 | 0 | 0 | 107.5 | G217 L221 | G217-I219 PolarHBondContact O-N 3.15Å; I219-L221 PolarHBondContact O-N 2.99Å | ||
| 220 | T | 35 | Very low | 36.5 | Very low | 114 Ų | 114 | 124.8 Ų | 124.8 | 70% | 0.699 | 79% | 0.79 | S | S | * | * | trans | -71.2 | 118.3 | 167.5 | -48 | 0 | 0 | 0 | 0 | 108.5 | ||||
| 221 | L | 34.3 | Very low | 36.2 | Very low | 168 Ų | 168 | 121.4 Ų | 121.4 | 88% | 0.88 | 79% | 0.794 | S | S | * | * | trans | -79.2 | 115.3 | 170.5 | -74.4 | 161.5 | 0 | 0 | 0 | 109.2 | I219 | I219-L221 PolarHBondContact O-N 2.99Š| ||
| 222 | S | 34.9 | Very low | 35.9 | Very low | 110 Ų | 110 | 120.4 Ų | 120.4 | 77% | 0.769 | 80% | 0.803 | S | S | * | * | trans | -134.3 | 115.7 | 160.5 | 55.4 | 0 | 0 | 0 | 0 | 109 | ||||
| 223 | G | 33.5 | Very low | 35.6 | Very low | 87 Ų | 87 | 118.2 Ų | 118.2 | 90% | 0.897 | 80% | 0.804 | S | S | * | * | trans | -74.4 | 159.2 | -179.3 | 0 | 0 | 0 | 0 | 0 | 114 | ||||
| 224 | G | 32.9 | Very low | 35.3 | Very low | 82 Ų | 82 | 112.4 Ų | 112.4 | 85% | 0.845 | 80% | 0.796 | S | S | * | * | trans | -167.3 | 118.3 | 170 | 0 | 0 | 0 | 0 | 0 | 109.5 | ||||
| 225 | R | 35.1 | Very low | 35.2 | Very low | 237 Ų | 237 | 120.8 Ų | 120.8 | 89% | 0.894 | 80% | 0.804 | S | S | * | * | trans | -79 | 168.6 | -178.3 | -96 | 170.9 | 152.4 | 164.2 | -8.3 | 113 | ||||
| 226 | N | 35.3 | Very low | 35.1 | Very low | 137 Ų | 137 | 118.4 Ų | 118.4 | 73% | 0.733 | 80% | 0.798 | S | S | * | * | trans | 79.7 | 146.3 | 153.9 | -91.7 | 41.1 | 0 | 0 | 0 | 117 | ||||
| 227 | D | 38 | Very low | 34.6 | Very low | 145 Ų | 145 | 127 Ų | 127 | 78% | 0.775 | 81% | 0.805 | S | S | * | * | cis | -169.9 | 165.1 | -8.9 | -150.2 | -19.9 | 0 | 0 | 0 | 105.9 | ||||
| 228 | G | 33.5 | Very low | 34.9 | Very low | 53 Ų | 53 | 129.1 Ų | 129.1 | 55% | 0.546 | 81% | 0.81 | S | S | . | * | trans | 105 | 101.4 | 148.7 | 0 | 0 | 0 | 0 | 0 | 120.1 | ||||
| 229 | S | 35 | Very low | 34.8 | Very low | 118 Ų | 118 | 129.2 Ų | 129.2 | 83% | 0.825 | 81% | 0.814 | S | S | * | * | 66.7 | 130 | 118.5 | -39.3 | 0 | 0 | 0 | 0 | 123.6 | |||||
| 230 | D | 38.3 | Very low | 34.8 | Very low | 168 Ų | 168 | 126.6 Ų | 126.6 | 90% | 0.898 | 81% | 0.81 | S | S | * | * | trans | 85.3 | 123.5 | 138.3 | -90.3 | -14.1 | 0 | 0 | 0 | 122.5 | ||||
| 231 | G | 33.2 | Very low | 34.9 | Very low | 72 Ų | 72 | 126.7 Ų | 126.7 | 74% | 0.742 | 82% | 0.815 | S | S | * | * | 114.6 | 89.4 | 116.3 | 0 | 0 | 0 | 0 | 0 | 117.9 | |||||
| 232 | G | 31.3 | Very low | 35.1 | Very low | 85 Ų | 85 | 128.6 Ų | 128.6 | 88% | 0.876 | 84% | 0.84 | S | S | * | * | 73.6 | 121.7 | 125.4 | 0 | 0 | 0 | 0 | 0 | 120.9 | |||||
| 233 | G | 31.7 | Very low | 35.1 | Very low | 85 Ų | 85 | 129.6 Ų | 129.6 | 88% | 0.876 | 84% | 0.844 | S | S | * | * | 106.4 | 104.7 | 128.8 | 0 | 0 | 0 | 0 | 0 | 118.3 | |||||
| 234 | G | 32.2 | Very low | 35.2 | Very low | 72 Ų | 72 | 131.8 Ų | 131.8 | 74% | 0.742 | 84% | 0.841 | S | S | * | * | 94.8 | 121.7 | 119.1 | 0 | 0 | 0 | 0 | 0 | 119.5 | |||||
| 235 | R | 36 | Very low | 35.3 | Very low | 253 Ų | 253 | 134.6 Ų | 134.6 | 96% | 0.955 | 84% | 0.841 | S | S | * | * | trans | 81.2 | 132.2 | 147.3 | -58 | 177 | -179.8 | -100.5 | -2.2 | 116.8 | ||||
| 236 | G | 33.5 | Very low | 35.3 | Very low | 69 Ų | 69 | 128.5 Ų | 128.5 | 71% | 0.711 | 84% | 0.837 | S | S | * | * | trans | -91.8 | 179.8 | -175 | 0 | 0 | 0 | 0 | 0 | 114.2 | ||||
| 237 | W | 34.4 | Very low | 35.3 | Very low | 266 Ų | 266 | 128 Ų | 128 | 100% | 1.008 | 84% | 0.844 | S | S | * | * | trans | -150.7 | 128 | 152.8 | -97.3 | -29.1 | 0 | 0 | 0 | 109.8 | ||||
| 238 | S | 38.7 | Very low | 35.1 | Very low | 106 Ų | 106 | 126.9 Ų | 126.9 | 74% | 0.741 | 85% | 0.849 | S | S | * | * | trans | -66.6 | 144.9 | 155 | 59.8 | 0 | 0 | 0 | 0 | 109 | ||||
| 239 | C | 36.4 | Very low | 35.3 | Very low | 134 Ų | 134 | 132.1 Ų | 132.1 | 91% | 0.905 | 87% | 0.87 | S | S | * | * | trans | -139.4 | 122.6 | 154.7 | -148.1 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 240 | S | 36.9 | Very low | 35.3 | Very low | 98 Ų | 98 | 133.2 Ų | 133.2 | 69% | 0.685 | 87% | 0.874 | S | S | * | * | trans | -82.4 | 151.8 | 174.7 | -36.2 | 0 | 0 | 0 | 0 | 110 | ||||
| 241 | S | 38.4 | Very low | 35 | Very low | 115 Ų | 115 | 130.3 Ų | 130.3 | 80% | 0.804 | 87% | 0.872 | S | S | * | * | trans | 26.5 | 123.6 | 148 | -49.4 | 0 | 0 | 0 | 0 | 120.7 | ||||
| 242 | C | 37.6 | Very low | 35.2 | Very low | 209 Ų | 209 | 135.6 Ų | 135.6 | 100% | 1.412 | 88% | 0.883 | S | S | * | * | -137.3 | 0 | 120.3 | -80.4 | 0 | 0 | 0 | 0 | 107.8 |
Retrieved 242 of 242 residues in 122.3 ms
(Link to these results)