| 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 | 36.9 | Very low | 37.5 | Very low | 245 Ų | 245 | 160.5 Ų | 160.5 | 100% | 1.207 | 84% | 0.842 | S | S | * | * | 0 | 122.8 | 0 | -89 | 174.5 | 169.4 | 0 | 0 | 109.3 | R3 | M1-R3 PolarHBondContact O-N 3.39Š| |||
| 2 | R | 32.7 | Very low | 37.8 | Very low | 235 Ų | 235 | 158.3 Ų | 158.3 | 89% | 0.887 | 84% | 0.84 | S | S | * | * | trans | -60.3 | 128 | 177.1 | -73.7 | 174.1 | 170.7 | 179 | -2.8 | 110.6 | ||||
| 3 | R | 35 | Very low | 37.8 | Very low | 246 Ų | 246 | 164.5 Ų | 164.5 | 93% | 0.928 | 85% | 0.845 | S | S | * | * | trans | -117 | 105.3 | 156.6 | -83.6 | -172.4 | 176 | -173.5 | -0.2 | 108.6 | M1 | M1-R3 PolarHBondContact O-N 3.39Š| ||
| 4 | R | 36.5 | Very low | 37.8 | Very low | 236 Ų | 236 | 167.2 Ų | 167.2 | 89% | 0.891 | 84% | 0.841 | S | S | * | * | trans | -85.2 | 123.2 | 161.3 | -80.4 | 179.6 | 171.3 | 178.4 | -4.3 | 107 | ||||
| 5 | S | 39.9 | Very low | 37.7 | Very low | 114 Ų | 114 | 162.7 Ų | 162.7 | 80% | 0.797 | 83% | 0.83 | S | S | * | * | trans | -148.3 | 96 | 161.2 | 53.6 | 0 | 0 | 0 | 0 | 105.2 | ||||
| 6 | G | 38.5 | Very low | 37.9 | Very low | 73 Ų | 73 | 162.5 Ų | 162.5 | 75% | 0.753 | 83% | 0.83 | S | S | * | * | 91.8 | 74.1 | 92.1 | 0 | 0 | 0 | 0 | 0 | 108.2 | N8 | G6-N8 PolarHBondContact O-N 3.41Å; G6-N8 VanDerWaalsContact O-N 3.13Å | |||
| 7 | I | 38.6 | Very low | 38.1 | Very low | 157 Ų | 157 | 165.6 Ų | 165.6 | 81% | 0.805 | 83% | 0.829 | S | S | * | * | trans | -70.3 | 104.6 | 175.3 | -62.1 | 172.8 | 0 | 0 | 0 | 106.8 | T9 | I7-T9 HydrophobicContact CG2-CG2 4.08Å; I7-T9 PolarHBondContact O-N 3.33Å | ||
| 8 | N | 39.4 | Very low | 38.5 | Very low | 139 Ų | 139 | 167.5 Ų | 167.5 | 74% | 0.743 | 83% | 0.831 | S | S | * | * | trans | -82.6 | 88.8 | 176.4 | -167.4 | -5.8 | 0 | 0 | 0 | 109.5 | G6 S10 | G6-N8 PolarHBondContact O-N 3.41Å; G6-N8 VanDerWaalsContact O-N 3.13Å; N8-S10 PolarHBondContact O-N 3.4Å; N8-S10 PolarHBondContact OD1-OG 3.3Å | ||
| 9 | T | 38 | Very low | 38.8 | Very low | 127 Ų | 127 | 171 Ų | 171 | 78% | 0.779 | 83% | 0.834 | S | S | * | * | trans | -78.5 | 84.5 | 169.7 | 42.1 | 0 | 0 | 0 | 0 | 110.2 | I7 | I7-T9 HydrophobicContact CG2-CG2 4.08Å; I7-T9 PolarHBondContact O-N 3.33Å | ||
| 10 | S | 36.5 | Very low | 39.4 | Very low | 97 Ų | 97 | 171.7 Ų | 171.7 | 68% | 0.678 | 83% | 0.832 | S | S | * | * | trans | -166.9 | 54.7 | 163.9 | 58.1 | 0 | 0 | 0 | 0 | 114.6 | N8 | N8-S10 PolarHBondContact O-N 3.4Å; N8-S10 PolarHBondContact OD1-OG 3.3Å | ||
| 11 | A | 41 | Very low | 40.2 | Very low | 96 Ų | 96 | 170.8 Ų | 170.8 | 79% | 0.793 | 83% | 0.832 | S | S | * | * | trans | -154.3 | 34.4 | 166.4 | 0 | 0 | 0 | 0 | 0 | 114.7 | R13 | A11-R13 PolarHBondContact O-N 3.24Š| ||
| 12 | V | 40.1 | Very low | 41.1 | Very low | 135 Ų | 135 | 166.5 Ų | 166.5 | 82% | 0.818 | 81% | 0.812 | S | S | * | * | trans | -89.6 | 61.1 | 165.1 | -169 | 0 | 0 | 0 | 0 | 108.5 | Y14 | V12-Y14 HydrophobicContact CG1-CD2 4.26Å; V12-Y14 PolarHBondContact O-N 3.31Å | ||
| 13 | R | 38.4 | Very low | 42.7 | Very low | 239 Ų | 239 | 159.5 Ų | 159.5 | 90% | 0.902 | 80% | 0.795 | S | S | * | * | trans | -86.6 | 92.2 | 160.8 | -99.1 | -177.1 | -176.5 | 169.3 | 2.3 | 106.6 | A11 C15 | A11-R13 PolarHBondContact O-N 3.24Å; R13-C15 VanDerWaalsContact C-N 3.28Å; R13-C15 PolarHBondContact O-N 3.33Å | ||
| 14 | Y | 37.6 | Very low | 44.8 | Very low | 202 Ų | 202 | 155.1 Ų | 155.1 | 79% | 0.792 | 79% | 0.79 | S | S | * | * | trans | -51.5 | 91.8 | 167.6 | -127.5 | -99.1 | 0 | 0 | 0 | 108.5 | V12 L16 | V12-Y14 HydrophobicContact CG1-CD2 4.26Å; V12-Y14 PolarHBondContact O-N 3.31Å; Y14-L16 VanDerWaalsContact C-N 3.32Å; Y14-L16 PolarHBondContact O-N 2.63Å | ||
| 15 | C | 37 | Very low | 47.1 | Very low | 100 Ų | 100 | 146.1 Ų | 146.1 | 68% | 0.676 | 76% | 0.759 | S | S | * | * | trans | -77.4 | 90.3 | 177.1 | -153.9 | 0 | 0 | 0 | 0 | 106.8 | R13 R17 | R13-C15 VanDerWaalsContact C-N 3.28Å; R13-C15 PolarHBondContact O-N 3.33Å; C15-R17 PolarHBondContact O-N 3.34Å | ||
| 16 | L | 40.4 | Very low | 49.4 | Very low | 159 Ų | 159 | 146.1 Ų | 146.1 | 83% | 0.832 | 75% | 0.75 | S | S | * | * | trans | -65 | 54.3 | 166.1 | -80.5 | 158.3 | 0 | 0 | 0 | 110.5 | Y14 K18 | Y14-L16 VanDerWaalsContact C-N 3.32Å; Y14-L16 PolarHBondContact O-N 2.63Å; L16-K18 PolarHBondContact O-N 3.28Å | ||
| 17 | R | 41.3 | Very low | 52 | Low | 215 Ų | 215 | 145.5 Ų | 145.5 | 81% | 0.811 | 73% | 0.733 | S | S | * | * | trans | -67.4 | 105.7 | 168.5 | -102.1 | -179.3 | 173.8 | -175.7 | -1.5 | 106.9 | C15 R19 | C15-R17 PolarHBondContact O-N 3.34Å; R17-R19 PolarHBondContact O-N 3.42Å | ||
| 18 | K | 44.6 | Very low | 54.7 | Low | 200 Ų | 200 | 140.7 Ų | 140.7 | 87% | 0.87 | 71% | 0.708 | S | S | * | * | trans | 1.9 | 92.3 | 160.4 | -68.7 | -175 | 175.3 | -174.7 | 0 | 112.1 | L16 K20 | L16-K18 PolarHBondContact O-N 3.28Å; K18-K20 PolarHBondContact O-N 3.2Å | ||
| 19 | R | 44 | Very low | 57.5 | Low | 234 Ų | 234 | 137.7 Ų | 137.7 | 88% | 0.883 | 70% | 0.695 | S | S | * | * | trans | -57.1 | 99 | 160.7 | -74.6 | -178.4 | 178.3 | -179.6 | -1.1 | 104.9 | R17 D21 | R17-R19 PolarHBondContact O-N 3.42Å; R19-D21 PolarHBondContact O-N 3.47Å | ||
| 20 | K | 52.3 | Low | 60.4 | Low | 184 Ų | 184 | 135.1 Ų | 135.1 | 80% | 0.8 | 67% | 0.671 | S | S | * | * | trans | -49.4 | 128.3 | 147.2 | -80.3 | -177.1 | 172.7 | -175.3 | 0 | 103.7 | K18 I22 | K18-K20 PolarHBondContact O-N 3.2Å; K20-I22 WeakPolarHBondContact O-CG1 3.23Å; K20-I22 PolarHBondContact O-N 3.06Å | ||
| 21 | D | 54.6 | Low | 63.3 | Low | 154 Ų | 154 | 137.4 Ų | 137.4 | 82% | 0.824 | 67% | 0.668 | S | S | * | * | trans | -53.4 | 90.5 | 177 | -70.4 | -50.5 | 0 | 0 | 0 | 108.7 | R19 T23 | R19-D21 PolarHBondContact O-N 3.47Å; D21-T23 PolarHBondContact O-N 3.17Å | ||
| 22 | I | 57.2 | Low | 66 | Low | 155 Ų | 155 | 133.8 Ų | 133.8 | 80% | 0.795 | 64% | 0.635 | S | S | * | * | trans | -76.7 | 91.2 | 169.4 | -63.2 | 171.3 | 0 | 0 | 0 | 102 | K20 L24 | K20-I22 WeakPolarHBondContact O-CG1 3.23Å; K20-I22 PolarHBondContact O-N 3.06Å; I22-L24 PolarHBondContact O-N 3.48Å | ||
| 23 | T | 65.9 | Low | 68.8 | Low | 87 Ų | 87 | 132.2 Ų | 132.2 | 53% | 0.534 | 62% | 0.619 | S | S | . | * | trans | -51.2 | 114.1 | 163.8 | 35.8 | 0 | 0 | 0 | 0 | 106.6 | D21 L25 N26 | D21-T23 PolarHBondContact O-N 3.17Å; T23-L25 PolarHBondContact O-N 3.17Å; T23-L25 VanDerWaalsContact O-N 3.07Å; T23-N26 PolarHBondContact OG1-OD1 3.35Å | ||
| 24 | L | 79.2 | Confident | 71.7 | Confident | 154 Ų | 154 | 121 Ų | 121 | 81% | 0.806 | 58% | 0.576 | S | S | * | * | S | Bend | trans | -56.8 | -25.6 | -176.5 | -170.6 | 90.9 | 0 | 0 | 0 | 111.5 | I22 | I22-L24 PolarHBondContact O-N 3.48Š|
| 25 | L | 85 | Confident | 74.4 | Confident | 48 Ų | 48 | 113.1 Ų | 113.1 | 25% | 0.251 | 56% | 0.557 | S | S | . | * | trans | -132.4 | 124.9 | -175.3 | -58.3 | 170.5 | 0 | 0 | 0 | 107.8 | T23 M45 | T23-L25 PolarHBondContact O-N 3.17Å; T23-L25 VanDerWaalsContact O-N 3.07Å; L25-M45 HydrophobicContact CB-CE 3.83Å; L25-M45 HydrophobicContact CB-SD 3.4Å; L25-M45 WeakPolarHBondContact CB-SD 3.5Å; L25-M45 HydrophobicContact CD1-CE 3.24Å; L25-M45 HydrophobicContact CD1-SD 3.8Å; L25-M45 HydrophobicContact CG-CE 4.13Å; L25-M45 HydrophobicContact CG-SD 4.18Å | ||
| 26 | N | 87.8 | Confident | 77.2 | Confident | 114 Ų | 114 | 112.8 Ų | 112.8 | 61% | 0.61 | 55% | 0.545 | S | S | * | . | trans | -116.1 | 107.7 | 174 | -74.1 | -19.5 | 0 | 0 | 0 | 107.5 | T23 | T23-N26 PolarHBondContact OG1-OD1 3.35Š| ||
| 27 | P | 92.7 | Very high | 79.9 | Confident | 60 Ų | 60 | 105.4 Ų | 105.4 | 39% | 0.39 | 51% | 0.506 | S | S | . | . | trans | -71.2 | 147.6 | 176.1 | 29.4 | -33 | 0 | 0 | 0 | 110.5 | V29 E42 T43 M45 | P27-V29 HydrophobicContact CB-CG2 4.05Å; P27-V29 HydrophobicContact CG-CG2 4.34Å; P27-E42 HydrophobicContact CB-CG 3.87Å; P27-T43 WeakPolarHBondContact CA-O 3.38Å; P27-M45 HydrophobicContact CB-CB 4.4Å | ||
| 28 | I | 96.6 | Very high | 82.7 | Confident | 56 Ų | 56 | 97.1 Ų | 97.1 | 29% | 0.287 | 48% | 0.48 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.7 | 123.1 | 163.4 | -61.9 | 170.8 | 0 | 0 | 0 | 106.1 | E42 T43 L245 E248 A249 | I28-E42 WeakPolarHBondContact O-CA 3.25Å; I28-T43 HydrophobicContact CB-CG2 4.16Å; I28-T43 PolarHBondContact N-O 2.86Å; I28-T43 PolarHBondContact O-N 3.35Å; I28-L245 HydrophobicContact CG2-CD1 3.8Å; I28-E248 HydrophobicContact CG2-CB 4.41Å; I28-A249 HydrophobicContact CD1-CB 3.54Å; I28-A249 HydrophobicContact CG2-CB 4.41Å |
| 29 | V | 97.6 | Very high | 85.2 | Confident | 75 Ų | 75 | 87.6 Ų | 87.6 | 46% | 0.455 | 44% | 0.438 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.5 | 125.1 | -172.3 | -176.5 | 0 | 0 | 0 | 0 | 109.4 | P27 T40 L41 E42 | P27-V29 HydrophobicContact CB-CG2 4.05Å; P27-V29 HydrophobicContact CG-CG2 4.34Å; V29-T40 HydrophobicContact CG1-CG2 3.56Å; V29-L41 CarbonylContact C-O 3.43Å; V29-L41 WeakPolarHBondContact CA-O 3.45Å; V29-E42 HydrophobicContact CG2-CB 4.3Å; V29-E42 HydrophobicContact CG2-CG 4.05Å |
| 30 | R | 97.9 | Very high | 87.8 | Confident | 73 Ų | 73 | 77.7 Ų | 77.7 | 28% | 0.275 | 40% | 0.404 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.5 | 128.4 | 170.4 | -168 | 72.7 | -175.9 | 165.7 | 0.7 | 109 | F32 T40 L41 N241 E244 L245 | R30-F32 HydrophobicContact CG-CD1 4.39Å; R30-T40 CarbonylContact O-C 3.48Å; R30-T40 WeakPolarHBondContact O-CA 3.34Å; R30-L41 HydrophobicContact CB-CB 4.44Å; R30-L41 PolarHBondContact N-O 2.76Å; R30-L41 PolarHBondContact O-N 3.28Å; R30-N241 HydrophobicContact CG-CB 4.28Å; R30-N241 PolarHBondContact NE-OD1 3.27Å; R30-E244 IonicContact CZ-OE2 3.76Å; R30-E244 IonicContact NE-OE2 2.85Å; R30-E244 PolarHBondContact NE-OE2 2.91Å; R30-E244 VanDerWaalsContact NE-OE2 3.16Å; R30-E244 VanDerWaalsContact NH2-CD 3.26Å; R30-E244 IonicContact NH2-OE1 2.7Å; R30-E244 PolarHBondContact NH2-OE1 2.76Å; R30-E244 IonicContact NH2-OE2 3.08Å; R30-E244 PolarHBondContact NH2-OE2 3.33Å; R30-L245 HydrophobicContact CB-CD1 4.44Å |
| 31 | K | 98.2 | Very high | 90 | Very high | 145 Ų | 145 | 69 Ų | 69 | 63% | 0.63 | 37% | 0.366 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -128.1 | 130.4 | -179.5 | -172 | 174.8 | -177.6 | 176.9 | 0 | 109.7 | T38 V39 | K31-T38 HydrophobicContact CD-CG2 4.1Å; K31-T38 HydrophobicContact CG-CG2 3.86Å; K31-V39 WeakPolarHBondContact CA-O 3.45Å |
| 32 | F | 98.5 | Very high | 92.1 | Very high | 20 Ų | 20 | 64 Ų | 64 | 9% | 0.088 | 34% | 0.338 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -150.4 | 157.5 | -176.8 | 59.6 | -87.3 | 0 | 0 | 0 | 111.9 | R30 V39 L41 V237 V238 N241 | R30-F32 HydrophobicContact CG-CD1 4.39Å; F32-V39 HydrophobicContact CD1-CB 4.47Å; F32-V39 HydrophobicContact CD2-CB 4.2Å; F32-V39 HydrophobicContact CE1-CB 4.04Å; F32-V39 HydrophobicContact CE1-CG1 3.78Å; F32-V39 HydrophobicContact CE2-CB 3.75Å; F32-V39 HydrophobicContact CE2-CG1 4.06Å; F32-V39 HydrophobicContact CE2-CG2 4.17Å; F32-V39 HydrophobicContact CZ-CB 3.66Å; F32-V39 HydrophobicContact CZ-CG1 3.46Å; F32-V39 VanDerWaalsContact CZ-CG1 3.46Å; F32-V39 HydrophobicContact CZ-CG2 4.39Å; F32-V39 PolarHBondContact N-O 2.78Å; F32-V39 PolarHBondContact O-N 3.05Å; F32-L41 HydrophobicContact CE1-CD1 3.99Å; F32-L41 HydrophobicContact CE1-CG 4.1Å; F32-V237 HydrophobicContact CD2-CG1 3.78Å; F32-V237 HydrophobicContact CE2-CG1 4.24Å; F32-V238 HydrophobicContact CE2-CG2 4.11Å; F32-V238 HydrophobicContact CZ-CG2 4.37Å; F32-N241 HydrophobicContact CD1-CB 3.5Å; F32-N241 WeakPolarHBondContact CD1-OD1 3.48Å; F32-N241 HydrophobicContact CD2-CB 4.47Å; F32-N241 HydrophobicContact CE1-CB 3.49Å; F32-N241 VanDerWaalsContact CE1-CB 3.49Å; F32-N241 HydrophobicContact CE2-CB 4.45Å; F32-N241 HydrophobicContact CG-CB 4.02Å; F32-N241 VanDerWaalsContact CG-CG 3.43Å; F32-N241 WeakPolarHBondContact CG-ND2 3.17Å; F32-N241 HydrophobicContact CZ-CB 3.98Å |
| 33 | Q | 98.3 | Very high | 94.1 | Very high | 103 Ų | 103 | 57.7 Ų | 57.7 | 48% | 0.481 | 31% | 0.306 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.2 | 135.3 | 175.7 | -170.9 | 66.9 | 32.3 | 0 | 0 | 109.7 | G35 Q36 H37 T38 V237 | Q33-G35 PolarHBondContact NE2-O 3.03Å; Q33-Q36 PolarHBondContact NE2-O 3.3Å; Q33-H37 PolarHBondContact NE2-O 3.13Å; Q33-H37 VanDerWaalsContact NE2-O 3.08Å; Q33-T38 PolarHBondContact OE1-OG1 2.83Å; Q33-V237 WeakPolarHBondContact O-CG1 3.47Å |
| 34 | Y | 97.9 | Very high | 95.4 | Very high | 3 Ų | 3 | 55.2 Ų | 55.2 | 1% | 0.012 | 30% | 0.299 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -139.2 | 99.3 | 175.9 | -171.9 | -143.3 | 0 | 0 | 0 | 110.7 | H37 V39 I155 A174 A175 L186 N187 Q234 Q235 V237 V238 | Y34-H37 PolarHBondContact N-O 3.31Å; Y34-H37 PolarHBondContact O-N 3.11Å; Y34-V39 HydrophobicContact CD1-CG2 4.18Å; Y34-V39 HydrophobicContact CG-CG2 4.49Å; Y34-I155 HydrophobicContact CD1-CD1 4.36Å; Y34-I155 HydrophobicContact CE1-CD1 4.2Å; Y34-A174 WeakPolarHBondContact CE1-O 2.92Å; Y34-A174 PolarHBondContact OH-O 2.82Å; Y34-A175 WeakPolarHBondContact OH-CA 3.06Å; Y34-A175 WeakPolarHBondContact OH-CB 3.4Å; Y34-L186 HydrophobicContact CD2-CD2 3.99Å; Y34-L186 HydrophobicContact CE2-CD1 4.26Å; Y34-L186 HydrophobicContact CE2-CD2 3.78Å; Y34-L186 HydrophobicContact CE2-CG 4.46Å; Y34-N187 WeakPolarHBondContact CD1-ND2 3.28Å; Y34-N187 WeakPolarHBondContact CE1-ND2 3.37Å; Y34-Q234 WeakPolarHBondContact CE2-O 3.34Å; Y34-Q235 VanDerWaalsContact OH-CA 3.31Å; Y34-Q235 WeakPolarHBondContact OH-CA 3.1Å; Y34-Q235 WeakPolarHBondContact OH-CB 3.45Å; Y34-V237 HydrophobicContact CD2-CB 4.38Å; Y34-V238 HydrophobicContact CD1-CG2 3.84Å; Y34-V238 HydrophobicContact CD2-CG2 4.28Å; Y34-V238 HydrophobicContact CE1-CG2 3.6Å; Y34-V238 HydrophobicContact CE2-CG2 4.1Å; Y34-V238 HydrophobicContact CG-CG2 4.18Å |
| 35 | G | 95.6 | Very high | 96.1 | Very high | 37 Ų | 37 | 51.2 Ų | 51.2 | 38% | 0.381 | 28% | 0.277 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 64.3 | -131.8 | -165.7 | 0 | 0 | 0 | 0 | 0 | 110.5 | Q33 H37 | Q33-G35 PolarHBondContact NE2-O 3.03Å; G35-H37 VanDerWaalsContact C-N 3.3Å |
| 36 | Q | 95.4 | Very high | 96.6 | Very high | 92 Ų | 92 | 52.6 Ų | 52.6 | 43% | 0.43 | 28% | 0.282 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -79.2 | -13.2 | 173.5 | 63.8 | -173.3 | -14.1 | 0 | 0 | 113.7 | Q33 N187 E192 | Q33-Q36 PolarHBondContact NE2-O 3.3Å; Q36-N187 PolarHBondContact NE2-O 2.91Å; Q36-E192 PolarHBondContact NE2-OE2 3.48Å |
| 37 | H | 98.1 | Very high | 97 | Very high | 5 Ų | 5 | 49.2 Ų | 49.2 | 2% | 0.023 | 27% | 0.27 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.4 | 154.8 | -172.9 | -56.7 | -60.3 | 0 | 0 | 0 | 113.4 | Q33 Y34 G35 M58 D59 N187 | Q33-H37 PolarHBondContact NE2-O 3.13Å; Q33-H37 VanDerWaalsContact NE2-O 3.08Å; Y34-H37 PolarHBondContact N-O 3.31Å; Y34-H37 PolarHBondContact O-N 3.11Å; G35-H37 VanDerWaalsContact C-N 3.3Å; H37-M58 HydrophobicContact CB-CG 3.44Å; H37-M58 VanDerWaalsContact CB-CG 3.44Å; H37-M58 HydrophobicContact CB-SD 3.89Å; H37-D59 WeakPolarHBondContact CA-OD2 3.45Å; H37-D59 IonicContact CE1-OD2 3.67Å; H37-D59 IonicContact CG-OD2 2.62Å; H37-D59 IonicContact ND1-OD2 2.73Å; H37-D59 PolarHBondContact ND1-OD2 2.81Å; H37-N187 PolarHBondContact CD2-O 3.39Å; H37-N187 PolarHBondContact NE2-O 3.06Å |
| 38 | T | 98.4 | Very high | 97 | Very high | 41 Ų | 41 | 54.5 Ų | 54.5 | 25% | 0.252 | 28% | 0.282 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.4 | 118.5 | 170.4 | -68.2 | 0 | 0 | 0 | 0 | 110.1 | K31 Q33 M58 D59 | K31-T38 HydrophobicContact CD-CG2 4.1Å; K31-T38 HydrophobicContact CG-CG2 3.86Å; Q33-T38 PolarHBondContact OE1-OG1 2.83Å; T38-M58 WeakPolarHBondContact O-CA 3.03Å; T38-D59 PolarHBondContact N-OD1 2.86Å; T38-D59 PolarHBondContact O-N 3.42Å |
| 39 | V | 98.7 | Very high | 97 | Very high | 0 Ų | 0 | 61.3 Ų | 61.3 | 0% | 0 | 31% | 0.313 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.7 | 136.1 | 176 | 179.8 | 0 | 0 | 0 | 0 | 110.2 | K31 F32 Y34 L41 V56 S57 M58 | K31-V39 WeakPolarHBondContact CA-O 3.45Å; F32-V39 HydrophobicContact CD1-CB 4.47Å; F32-V39 HydrophobicContact CD2-CB 4.2Å; F32-V39 HydrophobicContact CE1-CB 4.04Å; F32-V39 HydrophobicContact CE1-CG1 3.78Å; F32-V39 HydrophobicContact CE2-CB 3.75Å; F32-V39 HydrophobicContact CE2-CG1 4.06Å; F32-V39 HydrophobicContact CE2-CG2 4.17Å; F32-V39 HydrophobicContact CZ-CB 3.66Å; F32-V39 HydrophobicContact CZ-CG1 3.46Å; F32-V39 VanDerWaalsContact CZ-CG1 3.46Å; F32-V39 HydrophobicContact CZ-CG2 4.39Å; F32-V39 PolarHBondContact N-O 2.78Å; F32-V39 PolarHBondContact O-N 3.05Å; Y34-V39 HydrophobicContact CD1-CG2 4.18Å; Y34-V39 HydrophobicContact CG-CG2 4.49Å; V39-L41 HydrophobicContact CG1-CD2 4.32Å; V39-V56 HydrophobicContact CG1-CG2 4.39Å; V39-S57 CarbonylContact C-O 3.5Å; V39-S57 VanDerWaalsContact CA-O 3.27Å; V39-S57 WeakPolarHBondContact CA-O 3.45Å; V39-M58 HydrophobicContact CG2-CB 4.33Å; V39-M58 HydrophobicContact CG2-CG 3.95Å; V39-M58 HydrophobicContact CG2-SD 3.92Å |
| 40 | T | 98.7 | Very high | 97 | Very high | 26 Ų | 26 | 58.5 Ų | 58.5 | 16% | 0.16 | 30% | 0.298 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.6 | 128.7 | 172.3 | -52.3 | 0 | 0 | 0 | 0 | 109.9 | V29 R30 V56 S57 | V29-T40 HydrophobicContact CG1-CG2 3.56Å; R30-T40 CarbonylContact O-C 3.48Å; R30-T40 WeakPolarHBondContact O-CA 3.34Å; T40-V56 CarbonylContact O-C 3.58Å; T40-V56 VanDerWaalsContact O-CA 3.29Å; T40-V56 WeakPolarHBondContact O-CA 3.1Å; T40-S57 PolarHBondContact N-O 3.29Å; T40-S57 PolarHBondContact O-N 2.87Å |
| 41 | L | 98.6 | Very high | 97 | Very high | 0 Ų | 0 | 56.3 Ų | 56.3 | 0% | 0 | 29% | 0.293 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.6 | 121.1 | 171.7 | -55 | 177.2 | 0 | 0 | 0 | 108.5 | V29 R30 F32 V39 V54 V56 I155 A159 I242 L245 | V29-L41 CarbonylContact C-O 3.43Å; V29-L41 WeakPolarHBondContact CA-O 3.45Å; R30-L41 HydrophobicContact CB-CB 4.44Å; R30-L41 PolarHBondContact N-O 2.76Å; R30-L41 PolarHBondContact O-N 3.28Å; F32-L41 HydrophobicContact CE1-CD1 3.99Å; F32-L41 HydrophobicContact CE1-CG 4.1Å; V39-L41 HydrophobicContact CG1-CD2 4.32Å; L41-V54 HydrophobicContact CB-CG1 4.42Å; L41-V54 HydrophobicContact CD2-CG1 4.32Å; L41-V56 HydrophobicContact CD2-CB 3.8Å; L41-V56 HydrophobicContact CD2-CG2 3.49Å; L41-V56 VanDerWaalsContact CD2-CG2 3.49Å; L41-I155 HydrophobicContact CD2-CG2 3.84Å; L41-A159 HydrophobicContact CD1-CB 4.41Å; L41-I242 HydrophobicContact CD1-CG1 3.9Å; L41-L245 HydrophobicContact CB-CD2 3.83Å; L41-L245 HydrophobicContact CD1-CD2 4.01Å |
| 42 | E | 98.2 | Very high | 97 | Very high | 51 Ų | 51 | 49.7 Ų | 49.7 | 24% | 0.238 | 27% | 0.265 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.1 | 131.3 | 178.2 | 176.2 | -177.8 | 147.4 | 0 | 0 | 110.5 | P27 I28 V29 M45 V54 M55 | P27-E42 HydrophobicContact CB-CG 3.87Å; I28-E42 WeakPolarHBondContact O-CA 3.25Å; V29-E42 HydrophobicContact CG2-CB 4.3Å; V29-E42 HydrophobicContact CG2-CG 4.05Å; E42-M45 VanDerWaalsContact OE1-CB 3.22Å; E42-M45 WeakPolarHBondContact OE1-CB 3.4Å; E42-V54 CarbonylContact O-C 3.6Å; E42-V54 VanDerWaalsContact O-CA 3.31Å; E42-V54 WeakPolarHBondContact O-CA 3.38Å; E42-M55 HydrophobicContact CB-CB 4.28Å; E42-M55 PolarHBondContact N-O 3.35Å; E42-M55 PolarHBondContact O-N 3.46Å |
| 43 | T | 98.1 | Very high | 97 | Very high | 21 Ų | 21 | 49.1 Ų | 49.1 | 13% | 0.129 | 26% | 0.264 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.4 | 163.9 | 173.5 | -166.5 | 0 | 0 | 0 | 0 | 112.3 | P27 I28 A53 L163 L245 A249 | P27-T43 WeakPolarHBondContact CA-O 3.38Å; I28-T43 HydrophobicContact CB-CG2 4.16Å; I28-T43 PolarHBondContact N-O 2.86Å; I28-T43 PolarHBondContact O-N 3.35Å; T43-A53 WeakPolarHBondContact CB-O 3.48Å; T43-A53 PolarHBondContact OG1-O 2.88Å; T43-L163 HydrophobicContact CG2-CD1 4.08Å; T43-L245 HydrophobicContact CG2-CD1 4.24Å; T43-A249 HydrophobicContact CG2-CB 3.8Å |
| 44 | G | 94.8 | Very high | 97 | Very high | 36 Ų | 36 | 44.2 Ų | 44.2 | 37% | 0.371 | 24% | 0.241 | S | C | . | . | S | Bend | trans | 91.5 | -15.6 | 177.4 | 0 | 0 | 0 | 0 | 0 | 115.4 | ||
| 45 | M | 93.2 | Very high | 97 | Very high | 70 Ų | 70 | 45.8 Ų | 45.8 | 35% | 0.345 | 25% | 0.249 | S | C | . | . | S | Bend | trans | -83.7 | -45.1 | -176 | -167.4 | 60.1 | -156.2 | 0 | 0 | 113.8 | L25 P27 E42 | L25-M45 HydrophobicContact CB-CE 3.83Å; L25-M45 HydrophobicContact CB-SD 3.4Å; L25-M45 WeakPolarHBondContact CB-SD 3.5Å; L25-M45 HydrophobicContact CD1-CE 3.24Å; L25-M45 HydrophobicContact CD1-SD 3.8Å; L25-M45 HydrophobicContact CG-CE 4.13Å; L25-M45 HydrophobicContact CG-SD 4.18Å; P27-M45 HydrophobicContact CB-CB 4.4Å; E42-M45 VanDerWaalsContact OE1-CB 3.22Å; E42-M45 WeakPolarHBondContact OE1-CB 3.4Å |
| 46 | M | 94.6 | Very high | 97.2 | Very high | 76 Ų | 76 | 44 Ų | 44 | 37% | 0.374 | 23% | 0.231 | S | C | . | . | S | Bend | trans | -122.9 | 160.2 | -170.3 | -69.3 | 172.9 | -77.5 | 0 | 0 | 112.2 | R48 M55 F64 | M46-R48 VanDerWaalsContact C-N 3.27Å; M46-R48 PolarHBondContact O-N 2.87Å; M46-R48 VanDerWaalsContact O-N 3.14Å; M46-M55 HydrophobicContact CE-CB 3.91Å; M46-M55 HydrophobicContact CE-CE 3.46Å; M46-M55 VanDerWaalsContact CE-CE 3.46Å; M46-M55 HydrophobicContact CE-CG 4.31Å; M46-M55 HydrophobicContact SD-CE 4.13Å; M46-F64 HydrophobicContact CB-CE2 3.71Å; M46-F64 HydrophobicContact CB-CZ 3.67Å; M46-F64 HydrophobicContact CE-CE2 4.44Å |
| 47 | A | 96.6 | Very high | 97.3 | Very high | 43 Ų | 43 | 41.1 Ų | 41.1 | 36% | 0.355 | 22% | 0.221 | S | C | . | . | trans | 44 | 44.4 | -179.2 | 0 | 0 | 0 | 0 | 0 | 115.1 | Q49 A50 A53 F64 T66 | A47-Q49 PolarHBondContact O-N 3.43Å; A47-A50 HydrophobicContact CB-CB 4.33Å; A47-A50 WeakPolarHBondContact O-CB 3.48Å; A47-A50 PolarHBondContact O-N 2.8Å; A47-A53 HydrophobicContact CB-CB 3.9Å; A47-F64 HydrophobicContact CB-CE1 4.07Å; A47-F64 HydrophobicContact CB-CZ 3.54Å; A47-T66 HydrophobicContact CB-CG2 3.83Å | ||
| 48 | R | 93.3 | Very high | 97.4 | Very high | 171 Ų | 171 | 41.2 Ų | 41.2 | 65% | 0.645 | 22% | 0.221 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -60 | -10.5 | -177.9 | -64.8 | 175.2 | 60.1 | -169.3 | 1.5 | 115.2 | M46 | M46-R48 VanDerWaalsContact C-N 3.27Å; M46-R48 PolarHBondContact O-N 2.87Å; M46-R48 VanDerWaalsContact O-N 3.14Å |
| 49 | Q | 95.7 | Very high | 97.3 | Very high | 200 Ų | 200 | 41.7 Ų | 41.7 | 94% | 0.935 | 22% | 0.222 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -88 | -18.2 | 174 | -68.1 | -178.2 | -40.1 | 0 | 0 | 113.5 | A47 | A47-Q49 PolarHBondContact O-N 3.43Š|
| 50 | A | 97.8 | Very high | 97.2 | Very high | 16 Ų | 16 | 47.7 Ų | 47.7 | 13% | 0.132 | 25% | 0.254 | C | S | . | . | S | Bend | trans | -68.3 | 159.9 | 174 | 0 | 0 | 0 | 0 | 0 | 110.9 | A47 A52 V68 K251 | A47-A50 HydrophobicContact CB-CB 4.33Å; A47-A50 WeakPolarHBondContact O-CB 3.48Å; A47-A50 PolarHBondContact O-N 2.8Å; A50-A52 PolarHBondContact O-N 2.89Å; A50-V68 HydrophobicContact CB-CG2 4.13Å; A50-K251 PolarHBondContact O-NZ 3.38Å |
| 51 | T | 98 | Very high | 97.2 | Very high | 27 Ų | 27 | 46.5 Ų | 46.5 | 17% | 0.166 | 25% | 0.247 | C | C | . | . | S | Bend | trans | -61.5 | -36.5 | 173.4 | -51.3 | 0 | 0 | 0 | 0 | 110.4 | V67 G69 S164 I166 K251 W254 | T51-V67 WeakPolarHBondContact CA-O 3.35Å; T51-V67 VanDerWaalsContact CB-O 3.27Å; T51-V67 WeakPolarHBondContact CB-O 3.5Å; T51-V67 PolarHBondContact N-O 2.89Å; T51-G69 PolarHBondContact OG1-N 3.07Å; T51-S164 WeakPolarHBondContact CG2-O 3.2Å; T51-I166 HydrophobicContact CG2-CD1 4.2Å; T51-I166 HydrophobicContact CG2-CG1 4.19Å; T51-K251 VanDerWaalsContact O-CD 3.29Å; T51-K251 WeakPolarHBondContact O-CD 3.31Å; T51-K251 WeakPolarHBondContact O-CE 3.48Å; T51-K251 PolarHBondContact O-NZ 3.01Å; T51-W254 HydrophobicContact CG2-CZ2 4Å |
| 52 | A | 98.3 | Very high | 97.1 | Very high | 5 Ų | 5 | 47.1 Ų | 47.1 | 4% | 0.041 | 25% | 0.252 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -156.1 | 160.4 | 163.2 | 0 | 0 | 0 | 0 | 0 | 110.9 | A50 T66 V67 A160 L163 | A50-A52 PolarHBondContact O-N 2.89Å; A52-T66 WeakPolarHBondContact O-CA 3.5Å; A52-V67 PolarHBondContact N-O 3.23Å; A52-V67 PolarHBondContact O-N 2.94Å; A52-A160 WeakPolarHBondContact CB-O 3.43Å; A52-L163 HydrophobicContact CB-CB 4.1Å |
| 53 | A | 98.5 | Very high | 97.2 | Very high | 9 Ų | 9 | 44.7 Ų | 44.7 | 7% | 0.074 | 24% | 0.241 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -148.8 | 139 | 175 | 0 | 0 | 0 | 0 | 0 | 110.5 | T43 A47 F64 V65 T66 | T43-A53 WeakPolarHBondContact CB-O 3.48Å; T43-A53 PolarHBondContact OG1-O 2.88Å; A47-A53 HydrophobicContact CB-CB 3.9Å; A53-F64 HydrophobicContact CB-CE2 4.13Å; A53-F64 HydrophobicContact CB-CZ 4.18Å; A53-V65 CarbonylContact C-O 3.59Å; A53-V65 VanDerWaalsContact CA-O 3.29Å; A53-V65 WeakPolarHBondContact CA-O 3.28Å; A53-T66 HydrophobicContact CB-CG2 3.97Å |
| 54 | V | 98.6 | Very high | 97.2 | Very high | 0 Ų | 0 | 45.5 Ų | 45.5 | 0% | 0 | 24% | 0.243 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -134.8 | 129.2 | 177.1 | 178 | 0 | 0 | 0 | 0 | 108.5 | L41 E42 V56 V65 A159 A160 L163 | L41-V54 HydrophobicContact CB-CG1 4.42Å; L41-V54 HydrophobicContact CD2-CG1 4.32Å; E42-V54 CarbonylContact O-C 3.6Å; E42-V54 VanDerWaalsContact O-CA 3.31Å; E42-V54 WeakPolarHBondContact O-CA 3.38Å; V54-V56 HydrophobicContact CG1-CB 4.3Å; V54-V65 PolarHBondContact N-O 2.62Å; V54-V65 PolarHBondContact O-N 2.81Å; V54-A159 HydrophobicContact CG1-CB 4.33Å; V54-A159 HydrophobicContact CG2-CB 4.07Å; V54-A160 HydrophobicContact CB-CB 4.43Å; V54-A160 HydrophobicContact CG2-CB 4.01Å; V54-L163 HydrophobicContact CG2-CD1 3.53Å |
| 55 | M | 98.6 | Very high | 97.4 | Very high | 35 Ų | 35 | 43.8 Ų | 43.8 | 17% | 0.172 | 23% | 0.225 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -88.4 | 117.3 | 158.1 | -178.7 | 64.5 | 72.9 | 0 | 0 | 106.9 | E42 M46 A62 F64 V141 | E42-M55 HydrophobicContact CB-CB 4.28Å; E42-M55 PolarHBondContact N-O 3.35Å; E42-M55 PolarHBondContact O-N 3.46Å; M46-M55 HydrophobicContact CE-CB 3.91Å; M46-M55 HydrophobicContact CE-CE 3.46Å; M46-M55 VanDerWaalsContact CE-CE 3.46Å; M46-M55 HydrophobicContact CE-CG 4.31Å; M46-M55 HydrophobicContact SD-CE 4.13Å; M55-A62 HydrophobicContact SD-CB 4.14Å; M55-F64 HydrophobicContact CB-CD2 4.43Å; M55-F64 HydrophobicContact CE-CB 3.81Å; M55-F64 HydrophobicContact CE-CD2 3.88Å; M55-F64 HydrophobicContact CE-CG 4.11Å; M55-F64 HydrophobicContact SD-CB 4.15Å; M55-V141 HydrophobicContact CE-CG2 3.87Å; M55-V141 HydrophobicContact SD-CG2 3.88Å |
| 56 | V | 98.7 | Very high | 97.7 | Very high | 1 Ų | 1 | 41.5 Ų | 41.5 | 1% | 0.006 | 22% | 0.215 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.9 | 136.8 | 176.1 | 51.1 | 0 | 0 | 0 | 0 | 108.8 | V39 T40 L41 V54 A62 V63 V65 V152 I155 | V39-V56 HydrophobicContact CG1-CG2 4.39Å; T40-V56 CarbonylContact O-C 3.58Å; T40-V56 VanDerWaalsContact O-CA 3.29Å; T40-V56 WeakPolarHBondContact O-CA 3.1Å; L41-V56 HydrophobicContact CD2-CB 3.8Å; L41-V56 HydrophobicContact CD2-CG2 3.49Å; L41-V56 VanDerWaalsContact CD2-CG2 3.49Å; V54-V56 HydrophobicContact CG1-CB 4.3Å; V56-A62 CarbonylContact O-C 3.5Å; V56-A62 VanDerWaalsContact O-CA 3.3Å; V56-A62 WeakPolarHBondContact O-CA 3.23Å; V56-V63 HydrophobicContact CG1-CB 4.09Å; V56-V63 WeakPolarHBondContact CG1-O 3.19Å; V56-V63 PolarHBondContact N-O 2.88Å; V56-V63 PolarHBondContact O-N 3.18Å; V56-V65 HydrophobicContact CG1-CG2 4.28Å; V56-V152 HydrophobicContact CB-CG1 4.35Å; V56-V152 HydrophobicContact CG1-CG1 3.95Å; V56-V152 WeakPolarHBondContact CG1-O 3.45Å; V56-V152 HydrophobicContact CG2-CG1 3.78Å; V56-I155 HydrophobicContact CG2-CB 4.47Å; V56-I155 HydrophobicContact CG2-CG2 4.12Å |
| 57 | S | 98.5 | Very high | 97.9 | Very high | 31 Ų | 31 | 37.9 Ų | 37.9 | 22% | 0.217 | 20% | 0.197 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -133.7 | 150.6 | 172.6 | 65.7 | 0 | 0 | 0 | 0 | 112.5 | V39 T40 T61 | V39-S57 CarbonylContact C-O 3.5Å; V39-S57 VanDerWaalsContact CA-O 3.27Å; V39-S57 WeakPolarHBondContact CA-O 3.45Å; T40-S57 PolarHBondContact N-O 3.29Å; T40-S57 PolarHBondContact O-N 2.87Å; S57-T61 CarbonylContact C-O 3.48Å; S57-T61 WeakPolarHBondContact CA-O 3.41Å; S57-T61 WeakPolarHBondContact CB-O 3.28Å |
| 58 | M | 98.6 | Very high | 98 | Very high | 7 Ų | 7 | 38.5 Ų | 38.5 | 3% | 0.034 | 20% | 0.196 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -137.3 | 109 | 171.8 | -169.2 | 165.4 | 77.7 | 0 | 0 | 107.3 | H37 T38 V39 D60 T61 V147 V152 | H37-M58 HydrophobicContact CB-CG 3.44Å; H37-M58 VanDerWaalsContact CB-CG 3.44Å; H37-M58 HydrophobicContact CB-SD 3.89Å; T38-M58 WeakPolarHBondContact O-CA 3.03Å; V39-M58 HydrophobicContact CG2-CB 4.33Å; V39-M58 HydrophobicContact CG2-CG 3.95Å; V39-M58 HydrophobicContact CG2-SD 3.92Å; M58-D60 PolarHBondContact O-N 2.8Å; M58-T61 PolarHBondContact N-O 3.19Å; M58-T61 PolarHBondContact O-N 2.96Å; M58-T61 VanDerWaalsContact O-N 3.11Å; M58-V147 HydrophobicContact CB-CG1 4.23Å; M58-V147 HydrophobicContact CE-CG1 3.37Å; M58-V147 HydrophobicContact CG-CG1 4.23Å; M58-V152 HydrophobicContact CB-CG2 3.67Å; M58-V152 HydrophobicContact CE-CG2 3.98Å |
| 59 | D | 97 | Very high | 98.2 | Very high | 51 Ų | 51 | 30.8 Ų | 30.8 | 27% | 0.273 | 17% | 0.17 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 40.8 | 60.3 | -175.5 | -60.7 | -7.8 | 0 | 0 | 0 | 113.8 | H37 T38 T61 N144 V147 | H37-D59 WeakPolarHBondContact CA-OD2 3.45Å; H37-D59 IonicContact CE1-OD2 3.67Å; H37-D59 IonicContact CG-OD2 2.62Å; H37-D59 IonicContact ND1-OD2 2.73Å; H37-D59 PolarHBondContact ND1-OD2 2.81Å; T38-D59 PolarHBondContact N-OD1 2.86Å; T38-D59 PolarHBondContact O-N 3.42Å; D59-T61 PolarHBondContact O-N 3.15Å; D59-T61 VanDerWaalsContact O-N 3.14Å; D59-N144 VanDerWaalsContact O-CB 3.24Å; D59-N144 WeakPolarHBondContact O-CB 3.32Å; D59-N144 PolarHBondContact O-ND2 3.38Å; D59-V147 HydrophobicContact CB-CG2 4.24Å |
| 60 | D | 95.9 | Very high | 98.2 | Very high | 126 Ų | 126 | 26.4 Ų | 26.4 | 67% | 0.674 | 15% | 0.149 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 70.8 | -9.7 | 178.4 | -55.4 | -33.8 | 0 | 0 | 0 | 117.3 | M58 A62 S142 N144 | M58-D60 PolarHBondContact O-N 2.8Å; D60-A62 PolarHBondContact O-N 3.25Å; D60-S142 WeakPolarHBondContact O-CB 3.13Å; D60-S142 PolarHBondContact O-OG 3.27Å; D60-N144 HydrophobicContact CB-CB 4.46Å |
| 61 | T | 98.5 | Very high | 97.9 | Very high | 0 Ų | 0 | 33 Ų | 33 | 0% | 0 | 18% | 0.175 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -72.5 | 116.4 | 160.5 | -70.3 | 0 | 0 | 0 | 0 | 108.3 | S57 M58 D59 S142 V143 N144 V147 P149 V152 | S57-T61 CarbonylContact C-O 3.48Å; S57-T61 WeakPolarHBondContact CA-O 3.41Å; S57-T61 WeakPolarHBondContact CB-O 3.28Å; M58-T61 PolarHBondContact N-O 3.19Å; M58-T61 PolarHBondContact O-N 2.96Å; M58-T61 VanDerWaalsContact O-N 3.11Å; D59-T61 PolarHBondContact O-N 3.15Å; D59-T61 VanDerWaalsContact O-N 3.14Å; T61-S142 CarbonylContact C-O 3.59Å; T61-S142 WeakPolarHBondContact CA-O 3.17Å; T61-V143 HydrophobicContact CG2-CG2 4.46Å; T61-N144 WeakPolarHBondContact OG1-CB 3.1Å; T61-N144 PolarHBondContact OG1-N 3.46Å; T61-N144 PolarHBondContact OG1-O 3.15Å; T61-V147 PolarHBondContact OG1-O 2.82Å; T61-P149 HydrophobicContact CG2-CB 3.76Å; T61-V152 HydrophobicContact CG2-CG2 4.08Å |
| 62 | A | 98.6 | Very high | 97.6 | Very high | 14 Ų | 14 | 40.3 Ų | 40.3 | 12% | 0.116 | 21% | 0.205 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.2 | 131.3 | -176.1 | 0 | 0 | 0 | 0 | 0 | 112 | M55 V56 D60 V141 S142 | M55-A62 HydrophobicContact SD-CB 4.14Å; V56-A62 CarbonylContact O-C 3.5Å; V56-A62 VanDerWaalsContact O-CA 3.3Å; V56-A62 WeakPolarHBondContact O-CA 3.23Å; D60-A62 PolarHBondContact O-N 3.25Å; A62-V141 HydrophobicContact CB-CG2 4.08Å; A62-V141 WeakPolarHBondContact O-CG2 3.31Å; A62-V141 PolarHBondContact O-N 3.38Å; A62-S142 PolarHBondContact N-O 3.43Å; A62-S142 PolarHBondContact O-N 3.42Å |
| 63 | V | 98.8 | Very high | 97.2 | Very high | 0 Ų | 0 | 42.1 Ų | 42.1 | 0% | 0 | 22% | 0.219 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.3 | 124.8 | 178.5 | -172.5 | 0 | 0 | 0 | 0 | 108.8 | V56 V65 A138 T139 V140 P149 V152 A153 | V56-V63 HydrophobicContact CG1-CB 4.09Å; V56-V63 WeakPolarHBondContact CG1-O 3.19Å; V56-V63 PolarHBondContact N-O 2.88Å; V56-V63 PolarHBondContact O-N 3.18Å; V63-V65 HydrophobicContact CB-CG2 4.49Å; V63-V65 HydrophobicContact CG1-CG2 3.81Å; V63-A138 HydrophobicContact CG1-CB 3.93Å; V63-T139 CarbonylContact C-O 3.54Å; V63-T139 WeakPolarHBondContact CA-O 3.38Å; V63-V140 HydrophobicContact CG2-CG2 4.31Å; V63-P149 HydrophobicContact CG2-CB 4.01Å; V63-V152 HydrophobicContact CB-CG1 4.24Å; V63-V152 HydrophobicContact CG2-CB 3.95Å; V63-V152 HydrophobicContact CG2-CG1 3.81Å; V63-A153 HydrophobicContact CG1-CB 3.97Å; V63-A153 HydrophobicContact CG2-CB 4.39Å |
| 64 | F | 98.7 | Very high | 96.8 | Very high | 38 Ų | 38 | 47 Ų | 47 | 17% | 0.167 | 24% | 0.239 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -91.3 | 112.5 | 173.1 | -175.1 | -126.7 | 0 | 0 | 0 | 109.9 | M46 A47 A53 M55 T66 T139 V141 | M46-F64 HydrophobicContact CB-CE2 3.71Å; M46-F64 HydrophobicContact CB-CZ 3.67Å; M46-F64 HydrophobicContact CE-CE2 4.44Å; A47-F64 HydrophobicContact CB-CE1 4.07Å; A47-F64 HydrophobicContact CB-CZ 3.54Å; A53-F64 HydrophobicContact CB-CE2 4.13Å; A53-F64 HydrophobicContact CB-CZ 4.18Å; M55-F64 HydrophobicContact CB-CD2 4.43Å; M55-F64 HydrophobicContact CE-CB 3.81Å; M55-F64 HydrophobicContact CE-CD2 3.88Å; M55-F64 HydrophobicContact CE-CG 4.11Å; M55-F64 HydrophobicContact SD-CB 4.15Å; F64-T66 HydrophobicContact CD1-CG2 4.19Å; F64-T66 HydrophobicContact CE1-CG2 3.55Å; F64-T66 HydrophobicContact CE2-CG2 4.35Å; F64-T66 HydrophobicContact CZ-CG2 3.65Å; F64-T139 PolarHBondContact N-O 2.73Å; F64-T139 PolarHBondContact O-N 3.25Å; F64-V141 HydrophobicContact CB-CG1 4.09Å |
| 65 | V | 98.9 | Very high | 96.2 | Very high | 0 Ų | 0 | 53.5 Ų | 53.5 | 0% | 0 | 28% | 0.281 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.3 | 128.9 | -176.8 | -169.9 | 0 | 0 | 0 | 0 | 110.5 | A53 V54 V56 V63 V136 I137 A138 A157 A160 | A53-V65 CarbonylContact C-O 3.59Å; A53-V65 VanDerWaalsContact CA-O 3.29Å; A53-V65 WeakPolarHBondContact CA-O 3.28Å; V54-V65 PolarHBondContact N-O 2.62Å; V54-V65 PolarHBondContact O-N 2.81Å; V56-V65 HydrophobicContact CG1-CG2 4.28Å; V63-V65 HydrophobicContact CB-CG2 4.49Å; V63-V65 HydrophobicContact CG1-CG2 3.81Å; V65-V136 HydrophobicContact CG1-CG1 3.99Å; V65-I137 CarbonylContact C-O 3.6Å; V65-I137 VanDerWaalsContact CA-O 3.32Å; V65-I137 WeakPolarHBondContact CA-O 3.35Å; V65-A138 HydrophobicContact CG1-CB 4.45Å; V65-A138 HydrophobicContact CG2-CB 3.94Å; V65-A157 HydrophobicContact CG1-CB 4.3Å; V65-A160 HydrophobicContact CG1-CB 4.26Å |
| 66 | T | 98.8 | Very high | 95.4 | Very high | 21 Ų | 21 | 55.2 Ų | 55.2 | 13% | 0.129 | 31% | 0.307 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.1 | 146.6 | 175.7 | 60.8 | 0 | 0 | 0 | 0 | 110.7 | A47 A52 A53 F64 V136 I137 | A47-T66 HydrophobicContact CB-CG2 3.83Å; A52-T66 WeakPolarHBondContact O-CA 3.5Å; A53-T66 HydrophobicContact CB-CG2 3.97Å; F64-T66 HydrophobicContact CD1-CG2 4.19Å; F64-T66 HydrophobicContact CE1-CG2 3.55Å; F64-T66 HydrophobicContact CE2-CG2 4.35Å; F64-T66 HydrophobicContact CZ-CG2 3.65Å; T66-V136 WeakPolarHBondContact O-CA 3.33Å; T66-I137 PolarHBondContact N-O 2.95Å; T66-I137 PolarHBondContact O-N 2.89Å |
| 67 | V | 98.8 | Very high | 94.9 | Very high | 0 Ų | 0 | 57 Ų | 57 | 0% | 0 | 32% | 0.316 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.2 | 129.3 | 175 | 172.6 | 0 | 0 | 0 | 0 | 108.3 | T51 A52 V134 Q135 V136 A160 L161 I166 | T51-V67 WeakPolarHBondContact CA-O 3.35Å; T51-V67 VanDerWaalsContact CB-O 3.27Å; T51-V67 WeakPolarHBondContact CB-O 3.5Å; T51-V67 PolarHBondContact N-O 2.89Å; A52-V67 PolarHBondContact N-O 3.23Å; A52-V67 PolarHBondContact O-N 2.94Å; V67-V134 HydrophobicContact CG1-CG1 4.4Å; V67-Q135 WeakPolarHBondContact CA-O 3.43Å; V67-V136 HydrophobicContact CG2-CG1 4.42Å; V67-V136 HydrophobicContact CG2-CG2 4.22Å; V67-A160 HydrophobicContact CB-CB 4.47Å; V67-A160 HydrophobicContact CG2-CB 3.59Å; V67-L161 HydrophobicContact CG1-CD2 3.85Å; V67-L161 HydrophobicContact CG2-CD2 4.03Å; V67-L161 HydrophobicContact CG2-CG 3.96Å; V67-I166 HydrophobicContact CG1-CD1 3.59Å |
| 68 | V | 98.6 | Very high | 94.2 | Very high | 56 Ų | 56 | 60.2 Ų | 60.2 | 34% | 0.339 | 33% | 0.33 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.4 | 127.7 | 170 | -179.3 | 0 | 0 | 0 | 0 | 108 | A50 V134 Q135 | A50-V68 HydrophobicContact CB-CG2 4.13Å; V68-V134 CarbonylContact O-C 3.6Å; V68-V134 WeakPolarHBondContact O-CA 3.49Å; V68-Q135 PolarHBondContact N-O 3.07Å; V68-Q135 PolarHBondContact O-N 3.42Å |
| 69 | G | 97.9 | Very high | 93.8 | Very high | 9 Ų | 9 | 65.8 Ų | 65.8 | 9% | 0.093 | 36% | 0.355 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.4 | 136.6 | 175.4 | 0 | 0 | 0 | 0 | 0 | 110.6 | T51 E133 | T51-G69 PolarHBondContact OG1-N 3.07Å; G69-E133 CarbonylContact C-O 3.59Å; G69-E133 WeakPolarHBondContact CA-O 3.42Å |
| 70 | Q | 96 | Very high | 93.7 | Very high | 108 Ų | 108 | 65 Ų | 65 | 51% | 0.505 | 35% | 0.349 | S | S | . | . | trans | -83.4 | 126.7 | 171.6 | -67.1 | -64.7 | -12.4 | 0 | 0 | 110.1 | K72 N132 E133 W254 | Q70-K72 VanDerWaalsContact C-N 3.32Å; Q70-K72 PolarHBondContact O-N 3.08Å; Q70-N132 WeakPolarHBondContact O-CB 3.41Å; Q70-N132 PolarHBondContact O-ND2 3.19Å; Q70-E133 HydrophobicContact CB-CB 4.31Å; Q70-E133 HydrophobicContact CG-CB 4.14Å; Q70-E133 PolarHBondContact N-O 3.27Å; Q70-W254 WeakPolarHBondContact O-CZ3 3.19Å | ||
| 71 | K | 92.4 | Very high | 93.7 | Very high | 156 Ų | 156 | 59.8 Ų | 59.8 | 68% | 0.678 | 32% | 0.322 | S | S | * | . | S | Bend | trans | -72.3 | -24.4 | -179.9 | -74.1 | -166.4 | 172.4 | -165.3 | 0 | 114.1 | N132 W254 | K71-N132 PolarHBondContact O-ND2 2.93Å; K71-W254 HydrophobicContact CG-CD2 4.37Å; K71-W254 HydrophobicContact CG-CE3 4.4Å; K71-W254 HydrophobicContact CG-CH2 4.07Å; K71-W254 HydrophobicContact CG-CZ2 4.04Å; K71-W254 HydrophobicContact CG-CZ3 4.26Å |
| 72 | K | 91.1 | Very high | 93.6 | Very high | 180 Ų | 180 | 60.3 Ų | 60.3 | 78% | 0.783 | 33% | 0.325 | S | S | * | . | S | Bend | trans | -107 | 129.5 | 176 | -64.6 | -173.6 | 177.5 | -171.8 | 0 | 108.4 | Q70 | Q70-K72 VanDerWaalsContact C-N 3.32Å; Q70-K72 PolarHBondContact O-N 3.08Å |
| 73 | A | 90 | Very high | 93.6 | Very high | 42 Ų | 42 | 62 Ų | 62 | 35% | 0.347 | 33% | 0.334 | S | S | . | . | P | Polyproline II helix | trans | -61.8 | 150.8 | 166.2 | 0 | 0 | 0 | 0 | 0 | 109.9 | V131 | A73-V131 HydrophobicContact CB-CG2 3.78Š|
| 74 | K | 89.6 | Confident | 93.6 | Very high | 113 Ų | 113 | 62 Ų | 62 | 49% | 0.491 | 33% | 0.334 | S | S | . | . | P | Polyproline II helix | trans | -72.2 | 139.1 | 170.7 | -71.4 | 176.4 | -173.6 | 159.5 | 0 | 108.1 | G76 Q77 E133 | K74-G76 PolarHBondContact O-N 2.84Å; K74-Q77 HydrophobicContact CB-CB 4.2Å; K74-Q77 WeakPolarHBondContact O-CB 3.16Å; K74-Q77 PolarHBondContact O-N 3.05Å; K74-Q77 VanDerWaalsContact O-N 3.15Å; K74-E133 WeakPolarHBondContact CE-OE2 3.46Å; K74-E133 IonicContact NZ-OE1 2.66Å; K74-E133 IonicContact NZ-OE2 2.8Å; K74-E133 PolarHBondContact NZ-OE2 2.97Å |
| 75 | P | 85.4 | Confident | 93.6 | Very high | 136 Ų | 136 | 61.7 Ų | 61.7 | 88% | 0.883 | 33% | 0.334 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -55.9 | 133 | 173.9 | -24.4 | 34 | 0 | 0 | 0 | 111.1 | Q77 | P75-Q77 VanDerWaalsContact C-N 3.31Å; P75-Q77 PolarHBondContact O-N 2.85Å |
| 76 | G | 83.7 | Confident | 93.6 | Very high | 70 Ų | 70 | 61.9 Ų | 61.9 | 72% | 0.722 | 34% | 0.335 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 72.6 | 16.7 | -178.5 | 0 | 0 | 0 | 0 | 0 | 115.1 | K74 D78 | K74-G76 PolarHBondContact O-N 2.84Å; G76-D78 PolarHBondContact O-N 2.88Å |
| 77 | Q | 87.4 | Confident | 93.5 | Very high | 38 Ų | 38 | 63.5 Ų | 63.5 | 18% | 0.178 | 34% | 0.341 | C | S | . | . | trans | -78.2 | 110.4 | 174.5 | -175.5 | 68.1 | 60.7 | 0 | 0 | 110 | K74 P75 F79 P81 V131 | K74-Q77 HydrophobicContact CB-CB 4.2Å; K74-Q77 WeakPolarHBondContact O-CB 3.16Å; K74-Q77 PolarHBondContact O-N 3.05Å; K74-Q77 VanDerWaalsContact O-N 3.15Å; P75-Q77 VanDerWaalsContact C-N 3.31Å; P75-Q77 PolarHBondContact O-N 2.85Å; Q77-F79 WeakPolarHBondContact CG-O 3.06Å; Q77-F79 PolarHBondContact NE2-O 3.03Å; Q77-P81 HydrophobicContact CG-CG 4.09Å; Q77-V131 HydrophobicContact CB-CB 4.47Å; Q77-V131 HydrophobicContact CG-CB 3.99Å; Q77-V131 WeakPolarHBondContact CG-O 3.33Å | ||
| 78 | D | 84.3 | Confident | 93.3 | Very high | 99 Ų | 99 | 65.1 Ų | 65.1 | 53% | 0.529 | 35% | 0.348 | S | S | . | . | trans | -102.7 | -3.5 | -174.1 | 61.4 | -20.3 | 0 | 0 | 0 | 113.6 | G76 | G76-D78 PolarHBondContact O-N 2.88Š| ||
| 79 | F | 90.2 | Very high | 93.1 | Very high | 125 Ų | 125 | 65.6 Ų | 65.6 | 55% | 0.548 | 34% | 0.344 | S | S | . | . | S | Bend | trans | -134.6 | 155 | 175.9 | 74.4 | -91.7 | 0 | 0 | 0 | 112.1 | Q77 P81 | Q77-F79 WeakPolarHBondContact CG-O 3.06Å; Q77-F79 PolarHBondContact NE2-O 3.03Å; F79-P81 HydrophobicContact CD2-CB 4.41Å; F79-P81 HydrophobicContact CE2-CB 3.79Å; F79-P81 HydrophobicContact CZ-CB 4.39Å; F79-P81 WeakPolarHBondContact O-CD 3.41Å |
| 80 | F | 94 | Very high | 92.8 | Very high | 35 Ų | 35 | 66.4 Ų | 66.4 | 15% | 0.154 | 35% | 0.347 | C | S | . | . | trans | -74.1 | 108.7 | 175.1 | 175.9 | -139.9 | 0 | 0 | 0 | 112.2 | L82 R123 F126 F130 N132 V134 | F80-L82 HydrophobicContact CD1-CB 4.07Å; F80-L82 HydrophobicContact CE1-CB 3.55Å; F80-L82 HydrophobicContact CE1-CD2 4.04Å; F80-L82 HydrophobicContact CE1-CG 4.33Å; F80-L82 HydrophobicContact CE2-CB 4.26Å; F80-L82 HydrophobicContact CZ-CB 3.66Å; F80-L82 HydrophobicContact CZ-CD2 4.46Å; F80-L82 HydrophobicContact CZ-CG 4.43Å; F80-L82 PolarHBondContact O-N 2.73Å; F80-R123 HydrophobicContact CD1-CG 4.48Å; F80-R123 PolarHBondContact O-NH1 3.26Å; F80-F126 HydrophobicContact CD1-CB 4.31Å; F80-F126 HydrophobicContact CD1-CG 4.44Å; F80-F126 HydrophobicContact CE1-CB 3.74Å; F80-F126 HydrophobicContact CE1-CD1 4.05Å; F80-F126 AromaticContact CE1-CD2 3.36Å; F80-F126 HydrophobicContact CE1-CD2 3.36Å; F80-F126 HydrophobicContact CE1-CE1 4.5Å; F80-F126 AromaticContact CE1-CE2 3.89Å; F80-F126 HydrophobicContact CE1-CE2 3.89Å; F80-F126 AromaticContact CE1-CG 3.42Å; F80-F126 HydrophobicContact CE1-CG 3.42Å; F80-F126 VanDerWaalsContact CE1-CG 3.42Å; F80-F126 HydrophobicContact CE1-CZ 4.42Å; F80-F126 HydrophobicContact CE2-CD1 4.28Å; F80-F126 HydrophobicContact CE2-CG 4.42Å; F80-F126 HydrophobicContact CZ-CB 4.03Å; F80-F126 AromaticContact CZ-CD1 3.52Å; F80-F126 HydrophobicContact CZ-CD1 3.52Å; F80-F126 AromaticContact CZ-CD2 3.61Å; F80-F126 HydrophobicContact CZ-CD2 3.61Å; F80-F126 AromaticContact CZ-CE1 3.76Å; F80-F126 HydrophobicContact CZ-CE1 3.76Å; F80-F126 AromaticContact CZ-CE2 3.84Å; F80-F126 HydrophobicContact CZ-CE2 3.84Å; F80-F126 AromaticContact CZ-CG 3.41Å; F80-F126 HydrophobicContact CZ-CG 3.41Å; F80-F126 VanDerWaalsContact CZ-CG 3.41Å; F80-F126 AromaticContact CZ-CZ 3.9Å; F80-F126 HydrophobicContact CZ-CZ 3.9Å; F80-F130 WeakPolarHBondContact CB-O 3.23Å; F80-F130 AromaticContact CD2-CD1 3.92Å; F80-F130 HydrophobicContact CD2-CD1 3.92Å; F80-F130 HydrophobicContact CD2-CE1 4.47Å; F80-F130 WeakPolarHBondContact CD2-O 3.35Å; F80-F130 AromaticContact CE2-CD1 3.51Å; F80-F130 HydrophobicContact CE2-CD1 3.51Å; F80-F130 AromaticContact CE2-CE1 3.72Å; F80-F130 HydrophobicContact CE2-CE1 3.72Å; F80-F130 VanDerWaalsContact CG-O 3.32Å; F80-F130 WeakPolarHBondContact CG-O 3.23Å; F80-F130 HydrophobicContact CZ-CD1 4.06Å; F80-F130 HydrophobicContact CZ-CE1 4.27Å; F80-N132 WeakPolarHBondContact CE2-O 3.36Å; F80-V134 HydrophobicContact CE2-CB 4.29Å; F80-V134 HydrophobicContact CE2-CG2 4.02Å; F80-V134 HydrophobicContact CZ-CB 4.34Å; F80-V134 HydrophobicContact CZ-CG2 4.29Å | ||
| 81 | P | 95.7 | Very high | 92.8 | Very high | 16 Ų | 16 | 67.5 Ų | 67.5 | 10% | 0.104 | 35% | 0.347 | C | S | . | . | trans | -87.5 | 76.8 | -176.8 | 21.4 | -5.4 | 0 | 0 | 0 | 110.7 | Q77 F79 V131 E133 V134 | Q77-P81 HydrophobicContact CG-CG 4.09Å; F79-P81 HydrophobicContact CD2-CB 4.41Å; F79-P81 HydrophobicContact CE2-CB 3.79Å; F79-P81 HydrophobicContact CZ-CB 4.39Å; F79-P81 WeakPolarHBondContact O-CD 3.41Å; P81-V131 WeakPolarHBondContact CD-O 3.37Å; P81-E133 HydrophobicContact CB-CB 4.47Å; P81-E133 HydrophobicContact CB-CG 4.34Å; P81-E133 HydrophobicContact CG-CB 4.03Å; P81-E133 HydrophobicContact CG-CG 4.44Å; P81-V134 PolarHBondContact O-N 2.74Å | ||
| 82 | L | 97.7 | Very high | 93 | Very high | 11 Ų | 11 | 60.5 Ų | 60.5 | 6% | 0.058 | 32% | 0.319 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.8 | 118 | 168.2 | 173 | 63 | 0 | 0 | 0 | 110.7 | F80 V84 I122 R123 F126 V134 V136 | F80-L82 HydrophobicContact CD1-CB 4.07Å; F80-L82 HydrophobicContact CE1-CB 3.55Å; F80-L82 HydrophobicContact CE1-CD2 4.04Å; F80-L82 HydrophobicContact CE1-CG 4.33Å; F80-L82 HydrophobicContact CE2-CB 4.26Å; F80-L82 HydrophobicContact CZ-CB 3.66Å; F80-L82 HydrophobicContact CZ-CD2 4.46Å; F80-L82 HydrophobicContact CZ-CG 4.43Å; F80-L82 PolarHBondContact O-N 2.73Å; L82-V84 HydrophobicContact CD1-CG2 4.09Å; L82-V84 HydrophobicContact CD2-CG2 4.32Å; L82-V84 HydrophobicContact CG-CG2 4.04Å; L82-I122 HydrophobicContact CD2-CD1 4.06Å; L82-I122 HydrophobicContact CD2-CG1 4.06Å; L82-R123 HydrophobicContact CD2-CB 3.97Å; L82-R123 HydrophobicContact CD2-CG 4.42Å; L82-R123 PolarHBondContact O-NH2 2.8Å; L82-F126 HydrophobicContact CD2-CE2 4.09Å; L82-V134 WeakPolarHBondContact CA-O 3.47Å; L82-V134 HydrophobicContact CD1-CB 4.06Å; L82-V134 HydrophobicContact CD1-CG1 3.85Å; L82-V136 HydrophobicContact CD1-CG2 4.08Å |
| 83 | T | 98 | Very high | 93.1 | Very high | 49 Ų | 49 | 53.7 Ų | 53.7 | 30% | 0.301 | 30% | 0.296 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.5 | 119.3 | 172.5 | -60.9 | 0 | 0 | 0 | 0 | 110.1 | N85 V134 Q135 V136 | T83-N85 VanDerWaalsContact CG2-OD1 3.3Å; T83-N85 WeakPolarHBondContact CG2-OD1 3.37Å; T83-V134 PolarHBondContact N-O 2.85Å; T83-Q135 CarbonylContact O-C 3.6Å; T83-Q135 WeakPolarHBondContact O-CA 3.41Å; T83-V136 PolarHBondContact O-N 3.14Å |
| 84 | V | 98.6 | Very high | 93.2 | Very high | 1 Ų | 1 | 55.1 Ų | 55.1 | 1% | 0.006 | 32% | 0.315 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.1 | 127.4 | 171.1 | -173.6 | 0 | 0 | 0 | 0 | 109.6 | L82 I118 D119 I122 V136 R421 | L82-V84 HydrophobicContact CD1-CG2 4.09Å; L82-V84 HydrophobicContact CD2-CG2 4.32Å; L82-V84 HydrophobicContact CG-CG2 4.04Å; V84-I118 HydrophobicContact CG1-CB 3.93Å; V84-I118 HydrophobicContact CG1-CG2 3.81Å; V84-D119 HydrophobicContact CB-CB 4.12Å; V84-D119 HydrophobicContact CG2-CB 3.79Å; V84-I122 HydrophobicContact CG2-CD1 3.97Å; V84-V136 WeakPolarHBondContact CA-O 3.46Å; V84-V136 HydrophobicContact CG1-CB 4.47Å; V84-V136 HydrophobicContact CG2-CB 4.34Å; V84-R421 PolarHBondContact O-NH1 2.92Å |
| 85 | N | 98.3 | Very high | 93.3 | Very high | 31 Ų | 31 | 53.9 Ų | 53.9 | 17% | 0.166 | 31% | 0.307 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.1 | 126.2 | 173.2 | -69.8 | 110.6 | 0 | 0 | 0 | 109.5 | T83 V136 I137 A138 R421 | T83-N85 VanDerWaalsContact CG2-OD1 3.3Å; T83-N85 WeakPolarHBondContact CG2-OD1 3.37Å; N85-V136 PolarHBondContact N-O 3.05Å; N85-I137 CarbonylContact O-C 3.57Å; N85-I137 WeakPolarHBondContact O-CA 3.23Å; N85-A138 PolarHBondContact O-N 3.09Å; N85-R421 PolarHBondContact ND2-NH2 2.83Å; N85-R421 VanDerWaalsContact ND2-NH2 3.18Å |
| 86 | Y | 98.5 | Very high | 93.5 | Very high | 4 Ų | 4 | 53.5 Ų | 53.5 | 2% | 0.016 | 30% | 0.297 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.1 | 134 | 164.6 | 171.8 | -87.1 | 0 | 0 | 0 | 107.8 | E88 E111 I114 I118 A138 V140 P149 A153 | Y86-E88 HydrophobicContact CD1-CG 4.38Å; Y86-E88 HydrophobicContact CE1-CG 3.45Å; Y86-E88 VanDerWaalsContact CE1-CG 3.45Å; Y86-E88 VanDerWaalsContact CE1-OE1 3.31Å; Y86-E88 WeakPolarHBondContact CE1-OE1 3.27Å; Y86-E88 PolarHBondContact OH-OE1 2.92Å; Y86-E111 HydrophobicContact CD1-CB 4.08Å; Y86-E111 HydrophobicContact CD1-CG 3.98Å; Y86-E111 HydrophobicContact CE1-CG 4.13Å; Y86-I114 HydrophobicContact CD1-CB 3.87Å; Y86-I114 HydrophobicContact CD1-CD1 4.18Å; Y86-I114 HydrophobicContact CD1-CG2 3.91Å; Y86-I114 HydrophobicContact CD2-CB 4.34Å; Y86-I114 HydrophobicContact CD2-CG2 3.46Å; Y86-I114 VanDerWaalsContact CD2-CG2 3.46Å; Y86-I114 HydrophobicContact CE1-CB 4.08Å; Y86-I114 HydrophobicContact CE1-CD1 3.51Å; Y86-I114 HydrophobicContact CE1-CG1 4.39Å; Y86-I114 HydrophobicContact CE1-CG2 4.09Å; Y86-I114 HydrophobicContact CE2-CD1 4.43Å; Y86-I114 HydrophobicContact CE2-CG2 3.71Å; Y86-I114 HydrophobicContact CG-CB 3.96Å; Y86-I114 HydrophobicContact CG-CG2 3.55Å; Y86-I118 HydrophobicContact CD2-CD1 4.24Å; Y86-A138 CarbonylContact C-O 3.53Å; Y86-A138 VanDerWaalsContact CA-O 3.31Å; Y86-A138 WeakPolarHBondContact CA-O 3.02Å; Y86-A138 HydrophobicContact CD2-CB 4.15Å; Y86-V140 HydrophobicContact CE1-CG2 4.36Å; Y86-V140 HydrophobicContact CE2-CG2 3.55Å; Y86-V140 VanDerWaalsContact CZ-CG2 3.45Å; Y86-V140 WeakPolarHBondContact OH-CG2 3.47Å; Y86-P149 HydrophobicContact CE2-CB 4.44Å; Y86-P149 WeakPolarHBondContact OH-CG 3.41Å; Y86-A153 HydrophobicContact CD2-CB 3.85Å; Y86-A153 HydrophobicContact CE2-CB 3.95Å |
| 87 | Q | 97.3 | Very high | 93.6 | Very high | 55 Ų | 55 | 50.9 Ų | 50.9 | 26% | 0.257 | 27% | 0.267 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.3 | 123.7 | -172.5 | -65.6 | -172.9 | -8 | 0 | 0 | 110.8 | E111 A138 T139 V140 | Q87-E111 VanDerWaalsContact CA-OE1 3.29Å; Q87-E111 WeakPolarHBondContact CA-OE1 3.07Å; Q87-A138 PolarHBondContact N-O 3.32Å; Q87-T139 HydrophobicContact CB-CG2 4.47Å; Q87-T139 CarbonylContact O-C 3.54Å; Q87-T139 WeakPolarHBondContact O-CA 3.41Å; Q87-V140 PolarHBondContact O-N 3.27Å |
| 88 | E | 94.6 | Very high | 93.2 | Very high | 34 Ų | 34 | 51.5 Ų | 51.5 | 16% | 0.159 | 28% | 0.283 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.3 | 131.6 | 173.6 | -68.8 | -179.3 | 171.8 | 0 | 0 | 110 | Y86 E111 V140 L391 | Y86-E88 HydrophobicContact CD1-CG 4.38Å; Y86-E88 HydrophobicContact CE1-CG 3.45Å; Y86-E88 VanDerWaalsContact CE1-CG 3.45Å; Y86-E88 VanDerWaalsContact CE1-OE1 3.31Å; Y86-E88 WeakPolarHBondContact CE1-OE1 3.27Å; Y86-E88 PolarHBondContact OH-OE1 2.92Å; E88-E111 HydrophobicContact CB-CG 4.21Å; E88-E111 HydrophobicContact CG-CG 3.93Å; E88-E111 PolarHBondContact N-OE1 3.43Å; E88-V140 HydrophobicContact CG-CG2 4.16Å; E88-L391 HydrophobicContact CB-CB 4.28Å; E88-L391 HydrophobicContact CB-CD2 4.05Å; E88-L391 HydrophobicContact CG-CB 4.28Å; E88-L391 HydrophobicContact CG-CD2 3.96Å; E88-L391 WeakPolarHBondContact OE2-CB 3.46Å |
| 89 | R | 94.1 | Very high | 93 | Very high | 66 Ų | 66 | 49.2 Ų | 49.2 | 25% | 0.249 | 28% | 0.275 | C | S | . | . | trans | -112.4 | 123.8 | 174.4 | -61 | -65 | -180 | -174.7 | -10.8 | 108.4 | Y91 A92 E104 T139 L391 | R89-Y91 HydrophobicContact CB-CD1 3.59Å; R89-Y91 HydrophobicContact CB-CD2 4.22Å; R89-Y91 HydrophobicContact CB-CE1 3.28Å; R89-Y91 HydrophobicContact CB-CE2 3.92Å; R89-Y91 HydrophobicContact CB-CG 4.05Å; R89-Y91 VanDerWaalsContact CB-CZ 3.44Å; R89-Y91 HydrophobicContact CG-CD1 4.31Å; R89-Y91 HydrophobicContact CG-CE1 3.54Å; R89-Y91 HydrophobicContact CG-CE2 4.5Å; R89-Y91 PolarHBondContact O-N 3.19Å; R89-Y91 VanDerWaalsContact O-N 3.11Å; R89-A92 WeakPolarHBondContact O-CB 3.39Å; R89-A92 PolarHBondContact O-N 3.49Å; R89-E104 IonicContact NH1-OE2 3.21Å; R89-E104 PolarHBondContact NH1-OE2 2.65Å; R89-T139 HydrophobicContact CG-CG2 3.73Å; R89-L391 VanDerWaalsContact O-CD1 3.29Å; R89-L391 WeakPolarHBondContact O-CD1 3.49Å | ||
| 90 | T | 92.6 | Very high | 92.8 | Very high | 26 Ų | 26 | 52.3 Ų | 52.3 | 16% | 0.16 | 29% | 0.289 | C | S | . | . | G | 310 helix | trans | -64.8 | -23.2 | -175.5 | 64.1 | 0 | 0 | 0 | 0 | 112.3 | A92 A93 G94 R95 P97 E104 | T90-A92 PolarHBondContact O-N 3.07Å; T90-A93 PolarHBondContact O-N 2.78Å; T90-G94 PolarHBondContact O-N 3.1Å; T90-R95 CarbonylContact C-O 3.59Å; T90-R95 VanDerWaalsContact CB-O 3.32Å; T90-R95 WeakPolarHBondContact CB-O 3.43Å; T90-R95 PolarHBondContact O-N 3.34Å; T90-R95 PolarHBondContact OG1-O 2.94Å; T90-P97 HydrophobicContact CG2-CB 4.15Å; T90-P97 HydrophobicContact CG2-CG 3.85Å; T90-P97 WeakPolarHBondContact OG1-CD 3.39Å; T90-P97 VanDerWaalsContact OG1-CG 3.29Å; T90-P97 WeakPolarHBondContact OG1-CG 3.45Å; T90-E104 PolarHBondContact N-OE1 2.87Å |
| 91 | Y | 94.8 | Very high | 92.5 | Very high | 130 Ų | 130 | 59 Ų | 59 | 51% | 0.51 | 32% | 0.318 | S | S | . | . | G | 310 helix | trans | -61.1 | -24.8 | 171.1 | 69.9 | -115.6 | 0 | 0 | 0 | 112.7 | R89 A93 G94 R95 V141 | R89-Y91 HydrophobicContact CB-CD1 3.59Å; R89-Y91 HydrophobicContact CB-CD2 4.22Å; R89-Y91 HydrophobicContact CB-CE1 3.28Å; R89-Y91 HydrophobicContact CB-CE2 3.92Å; R89-Y91 HydrophobicContact CB-CG 4.05Å; R89-Y91 VanDerWaalsContact CB-CZ 3.44Å; R89-Y91 HydrophobicContact CG-CD1 4.31Å; R89-Y91 HydrophobicContact CG-CE1 3.54Å; R89-Y91 HydrophobicContact CG-CE2 4.5Å; R89-Y91 PolarHBondContact O-N 3.19Å; R89-Y91 VanDerWaalsContact O-N 3.11Å; Y91-A93 PolarHBondContact O-N 2.9Å; Y91-G94 PolarHBondContact O-N 3.41Å; Y91-R95 PolarHBondContact N-O 2.87Å; Y91-V141 HydrophobicContact CE2-CB 4.22Å; Y91-V141 HydrophobicContact CE2-CG1 4.44Å |
| 92 | A | 96.2 | Very high | 92.2 | Very high | 9 Ų | 9 | 65.8 Ų | 65.8 | 7% | 0.074 | 34% | 0.342 | C | S | . | . | G | 310 helix | trans | -61.7 | -27.6 | 175.7 | 0 | 0 | 0 | 0 | 0 | 111.6 | R89 T90 V140 V141 V143 L391 | R89-A92 WeakPolarHBondContact O-CB 3.39Å; R89-A92 PolarHBondContact O-N 3.49Å; T90-A92 PolarHBondContact O-N 3.07Å; A92-V140 HydrophobicContact CB-CG1 4.08Å; A92-V141 WeakPolarHBondContact CA-O 2.99Å; A92-V143 PolarHBondContact O-N 3.21Å; A92-L391 HydrophobicContact CB-CD1 4.36Å; A92-L391 HydrophobicContact CB-CD2 4.35Å |
| 93 | A | 93.9 | Very high | 91.8 | Very high | 37 Ų | 37 | 74.1 Ų | 74.1 | 31% | 0.306 | 37% | 0.372 | S | S | . | . | G | 310 helix | trans | -98.3 | 7.6 | 172.2 | 0 | 0 | 0 | 0 | 0 | 113.2 | T90 Y91 R95 V143 L391 | T90-A93 PolarHBondContact O-N 2.78Å; Y91-A93 PolarHBondContact O-N 2.9Å; A93-R95 VanDerWaalsContact C-N 3.27Å; A93-R95 HydrophobicContact CB-CG 4.37Å; A93-R95 PolarHBondContact O-N 3.15Å; A93-V143 HydrophobicContact CB-CG1 3.74Å; A93-L391 HydrophobicContact CB-CD1 3.91Å |
| 94 | G | 92.6 | Very high | 91.3 | Very high | 73 Ų | 73 | 74.7 Ų | 74.7 | 75% | 0.753 | 37% | 0.372 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 66.8 | 23.2 | -174.5 | 0 | 0 | 0 | 0 | 0 | 114.5 | T90 Y91 | T90-G94 PolarHBondContact O-N 3.1Å; Y91-G94 PolarHBondContact O-N 3.41Å |
| 95 | R | 91 | Very high | 90.8 | Very high | 86 Ų | 86 | 78 Ų | 78 | 33% | 0.325 | 41% | 0.406 | S | S | . | . | trans | -113.5 | 152.3 | -175.5 | -64.7 | -168.8 | -67.1 | 135.3 | -2.9 | 113.1 | T90 Y91 A93 D389 E390 L391 | T90-R95 CarbonylContact C-O 3.59Å; T90-R95 VanDerWaalsContact CB-O 3.32Å; T90-R95 WeakPolarHBondContact CB-O 3.43Å; T90-R95 PolarHBondContact O-N 3.34Å; T90-R95 PolarHBondContact OG1-O 2.94Å; Y91-R95 PolarHBondContact N-O 2.87Å; A93-R95 VanDerWaalsContact C-N 3.27Å; A93-R95 HydrophobicContact CB-CG 4.37Å; A93-R95 PolarHBondContact O-N 3.15Å; R95-D389 IonicContact CZ-OD1 3.16Å; R95-D389 IonicContact NH1-OD1 3.38Å; R95-D389 PolarHBondContact NH1-OD1 2.88Å; R95-D389 IonicContact NH2-OD1 2.91Å; R95-E390 PolarHBondContact NH2-O 2.94Å; R95-L391 PolarHBondContact NH2-O 3.19Å | ||
| 96 | I | 89.2 | Confident | 90.5 | Very high | 129 Ų | 129 | 86.9 Ų | 86.9 | 66% | 0.662 | 44% | 0.437 | S | S | * | . | trans | -88.1 | 137.5 | 166.4 | -59 | 176.5 | 0 | 0 | 0 | 108 | R102 | I96-R102 HydrophobicContact CG2-CB 4.17Å; I96-R102 HydrophobicContact CG2-CG 4.49Å | ||
| 97 | P | 86.1 | Confident | 90.1 | Very high | 15 Ų | 15 | 90 Ų | 90 | 10% | 0.097 | 46% | 0.458 | C | S | . | . | trans | -55.1 | 141 | 178.4 | -23.4 | 33 | 0 | 0 | 0 | 112.9 | T90 S99 R102 | T90-P97 HydrophobicContact CG2-CB 4.15Å; T90-P97 HydrophobicContact CG2-CG 3.85Å; T90-P97 WeakPolarHBondContact OG1-CD 3.39Å; T90-P97 VanDerWaalsContact OG1-CG 3.29Å; T90-P97 WeakPolarHBondContact OG1-CG 3.45Å; P97-S99 PolarHBondContact O-N 3.49Å; P97-R102 WeakPolarHBondContact O-CD 3.23Å; P97-R102 PolarHBondContact O-NH1 2.74Å; P97-R102 VanDerWaalsContact O-NH1 3.14Å | ||
| 98 | G | 80.1 | Confident | 89.9 | Confident | 50 Ų | 50 | 89.8 Ų | 89.8 | 52% | 0.515 | 46% | 0.462 | S | S | . | . | S | Bend | trans | -70.4 | -18 | 176.5 | 0 | 0 | 0 | 0 | 0 | 114.3 | ||
| 99 | S | 80.6 | Confident | 89.7 | Confident | 52 Ų | 52 | 92.3 Ų | 92.3 | 36% | 0.364 | 47% | 0.474 | S | S | . | . | S | Bend | trans | -61.4 | 151.9 | -177.7 | 73.5 | 0 | 0 | 0 | 0 | 112.7 | P97 F101 R102 R103 | P97-S99 PolarHBondContact O-N 3.49Å; S99-F101 PolarHBondContact O-N 2.9Å; S99-F101 VanDerWaalsContact O-N 3.15Å; S99-R102 WeakPolarHBondContact O-CD 3.16Å; S99-R102 PolarHBondContact O-N 3.22Å; S99-R102 PolarHBondContact OG-N 2.85Å; S99-R103 PolarHBondContact OG-O 2.75Å |
| 100 | F | 84.8 | Confident | 89.7 | Confident | 190 Ų | 190 | 90.4 Ų | 90.4 | 83% | 0.833 | 48% | 0.475 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -53 | -38 | 178.2 | 179.2 | -99.7 | 0 | 0 | 0 | 112.7 | R102 | F100-R102 VanDerWaalsContact C-N 3.28Å; F100-R102 PolarHBondContact O-N 2.96Å |
| 101 | F | 88.3 | Confident | 89.9 | Confident | 176 Ų | 176 | 90.5 Ų | 90.5 | 77% | 0.772 | 47% | 0.474 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -77.2 | -8.6 | 178.8 | -62.9 | -70.2 | 0 | 0 | 0 | 114.1 | S99 R103 | S99-F101 PolarHBondContact O-N 2.9Å; S99-F101 VanDerWaalsContact O-N 3.15Å; F101-R103 PolarHBondContact O-N 3.49Å |
| 102 | R | 88.7 | Confident | 89.9 | Confident | 158 Ų | 158 | 84.9 Ų | 84.9 | 60% | 0.596 | 45% | 0.453 | S | S | * | . | S | Bend | trans | 52.6 | 36.2 | -177.4 | -56.6 | -64.9 | -169.5 | 173.9 | 0.3 | 112.9 | I96 P97 S99 F100 | I96-R102 HydrophobicContact CG2-CB 4.17Å; I96-R102 HydrophobicContact CG2-CG 4.49Å; P97-R102 WeakPolarHBondContact O-CD 3.23Å; P97-R102 PolarHBondContact O-NH1 2.74Å; P97-R102 VanDerWaalsContact O-NH1 3.14Å; S99-R102 WeakPolarHBondContact O-CD 3.16Å; S99-R102 PolarHBondContact O-N 3.22Å; S99-R102 PolarHBondContact OG-N 2.85Å; F100-R102 VanDerWaalsContact C-N 3.28Å; F100-R102 PolarHBondContact O-N 2.96Å |
| 103 | R | 90.3 | Very high | 90 | Very high | 185 Ų | 185 | 85.8 Ų | 85.8 | 70% | 0.698 | 46% | 0.456 | S | S | * | . | S | Bend | trans | -144.2 | 151.6 | -176.5 | -172.5 | 175.5 | 179.1 | 175.3 | 0.3 | 110.5 | S99 F101 G105 | S99-R103 PolarHBondContact OG-O 2.75Å; F101-R103 PolarHBondContact O-N 3.49Å; R103-G105 PolarHBondContact O-N 3.32Å |
| 104 | E | 87.4 | Confident | 90.1 | Very high | 62 Ų | 62 | 84.9 Ų | 84.9 | 29% | 0.29 | 45% | 0.446 | S | S | . | . | trans | -60.6 | 131.2 | 170.4 | -59.8 | 80.2 | -171.9 | 0 | 0 | 110.4 | R89 T90 | R89-E104 IonicContact NH1-OE2 3.21Å; R89-E104 PolarHBondContact NH1-OE2 2.65Å; T90-E104 PolarHBondContact N-OE1 2.87Å | ||
| 105 | G | 88.5 | Confident | 90.4 | Very high | 70 Ų | 70 | 81.5 Ų | 81.5 | 72% | 0.722 | 41% | 0.411 | S | S | * | . | trans | -102.2 | -140.7 | -176.7 | 0 | 0 | 0 | 0 | 0 | 112.5 | R103 | R103-G105 PolarHBondContact O-N 3.32Š| ||
| 106 | R | 90.1 | Very high | 90.7 | Very high | 218 Ų | 218 | 80.1 Ų | 80.1 | 82% | 0.823 | 41% | 0.406 | S | S | * | . | S | Bend | trans | -63.2 | 150 | 167.7 | 66.1 | -178.7 | -178.9 | 178.3 | 1 | 110.1 | S108 | R106-S108 PolarHBondContact O-N 2.89Š|
| 107 | P | 91.5 | Very high | 91.1 | Very high | 69 Ų | 69 | 74.4 Ų | 74.4 | 45% | 0.448 | 38% | 0.377 | S | S | . | . | P | Polyproline II helix | trans | -54.5 | 138.8 | 175.6 | -25.4 | 34.3 | 0 | 0 | 0 | 112.1 | E111 | P107-E111 VanDerWaalsContact CA-OE2 3.29Å; P107-E111 WeakPolarHBondContact CA-OE2 3.28Å; P107-E111 HydrophobicContact CB-CB 4.17Å |
| 108 | S | 91.6 | Very high | 91.7 | Very high | 50 Ų | 50 | 73.8 Ų | 73.8 | 35% | 0.35 | 37% | 0.373 | S | S | . | . | P | Polyproline II helix | trans | -70.1 | 170.6 | 172.9 | 72 | 0 | 0 | 0 | 0 | 111.9 | R106 G110 E111 T112 | R106-S108 PolarHBondContact O-N 2.89Å; S108-G110 VanDerWaalsContact C-N 3.3Å; S108-G110 PolarHBondContact OG-N 2.9Å; S108-E111 PolarHBondContact N-OE2 3.44Å; S108-E111 PolarHBondContact O-N 3.37Å; S108-E111 WeakPolarHBondContact OG-CG 3.48Å; S108-E111 PolarHBondContact OG-N 2.65Å; S108-E111 PolarHBondContact OG-OE2 3.12Å; S108-T112 WeakPolarHBondContact O-CB 3.46Å; S108-T112 PolarHBondContact O-N 3.2Å; S108-T112 PolarHBondContact O-OG1 3.21Å |
| 109 | E | 91.9 | Very high | 92.5 | Very high | 88 Ų | 88 | 72.8 Ų | 72.8 | 41% | 0.411 | 36% | 0.356 | S | S | . | . | H | α-helix | trans | -58.8 | -45 | 168.2 | -85.2 | -163.2 | 137.7 | 0 | 0 | 110.8 | E111 T112 L113 I424 | E109-E111 PolarHBondContact O-N 2.53Å; E109-T112 WeakPolarHBondContact O-CB 3.33Å; E109-T112 PolarHBondContact O-N 2.84Å; E109-T112 VanDerWaalsContact O-N 3.16Å; E109-L113 WeakPolarHBondContact O-CB 3.43Å; E109-L113 WeakPolarHBondContact O-CG 3.35Å; E109-L113 PolarHBondContact O-N 2.86Å; E109-I424 HydrophobicContact CB-CG2 4.18Å; E109-I424 HydrophobicContact CG-CD1 4.37Å; E109-I424 HydrophobicContact CG-CG1 4.41Å; E109-I424 HydrophobicContact CG-CG2 3.7Å |
| 110 | G | 93.4 | Very high | 93.2 | Very high | 26 Ų | 26 | 71.3 Ų | 71.3 | 27% | 0.268 | 34% | 0.342 | S | S | . | . | H | α-helix | trans | -56.2 | -49.6 | 177.5 | 0 | 0 | 0 | 0 | 0 | 112.1 | S108 T112 L113 I114 | S108-G110 VanDerWaalsContact C-N 3.3Å; S108-G110 PolarHBondContact OG-N 2.9Å; G110-T112 VanDerWaalsContact C-N 3.29Å; G110-T112 PolarHBondContact O-N 3.17Å; G110-L113 PolarHBondContact O-N 2.73Å; G110-I114 WeakPolarHBondContact O-CG1 3.41Å; G110-I114 PolarHBondContact O-N 3.45Å |
| 111 | E | 96 | Very high | 93.7 | Very high | 28 Ų | 28 | 62.3 Ų | 62.3 | 13% | 0.131 | 30% | 0.302 | C | S | . | . | H | α-helix | trans | -61.5 | -39.2 | 177.6 | -73.1 | 174.8 | 106.4 | 0 | 0 | 112.4 | Y86 Q87 E88 P107 S108 E109 A115 | Y86-E111 HydrophobicContact CD1-CB 4.08Å; Y86-E111 HydrophobicContact CD1-CG 3.98Å; Y86-E111 HydrophobicContact CE1-CG 4.13Å; Q87-E111 VanDerWaalsContact CA-OE1 3.29Å; Q87-E111 WeakPolarHBondContact CA-OE1 3.07Å; E88-E111 HydrophobicContact CB-CG 4.21Å; E88-E111 HydrophobicContact CG-CG 3.93Å; E88-E111 PolarHBondContact N-OE1 3.43Å; P107-E111 VanDerWaalsContact CA-OE2 3.29Å; P107-E111 WeakPolarHBondContact CA-OE2 3.28Å; P107-E111 HydrophobicContact CB-CB 4.17Å; S108-E111 PolarHBondContact N-OE2 3.44Å; S108-E111 PolarHBondContact O-N 3.37Å; S108-E111 WeakPolarHBondContact OG-CG 3.48Å; S108-E111 PolarHBondContact OG-N 2.65Å; S108-E111 PolarHBondContact OG-OE2 3.12Å; E109-E111 PolarHBondContact O-N 2.53Å; E111-A115 VanDerWaalsContact O-CB 3.32Å; E111-A115 WeakPolarHBondContact O-CB 3.47Å; E111-A115 PolarHBondContact O-N 2.87Å |
| 112 | T | 96.5 | Very high | 94.2 | Very high | 12 Ų | 12 | 53.9 Ų | 53.9 | 7% | 0.074 | 27% | 0.266 | C | S | . | . | H | α-helix | trans | -66.1 | -42.5 | 177.7 | -62.9 | 0 | 0 | 0 | 0 | 111.8 | S108 E109 G110 R116 R421 I424 | S108-T112 WeakPolarHBondContact O-CB 3.46Å; S108-T112 PolarHBondContact O-N 3.2Å; S108-T112 PolarHBondContact O-OG1 3.21Å; E109-T112 WeakPolarHBondContact O-CB 3.33Å; E109-T112 PolarHBondContact O-N 2.84Å; E109-T112 VanDerWaalsContact O-N 3.16Å; G110-T112 VanDerWaalsContact C-N 3.29Å; G110-T112 PolarHBondContact O-N 3.17Å; T112-R116 WeakPolarHBondContact O-CG 3.42Å; T112-R116 PolarHBondContact O-N 3.07Å; T112-R116 VanDerWaalsContact O-N 3.14Å; T112-R421 HydrophobicContact CG2-CB 3.66Å; T112-R421 HydrophobicContact CG2-CG 3.58Å; T112-I424 HydrophobicContact CG2-CD1 4.41Å |
| 113 | L | 96.6 | Very high | 94.5 | Very high | 28 Ų | 28 | 50.6 Ų | 50.6 | 15% | 0.147 | 25% | 0.253 | C | S | . | . | H | α-helix | trans | -66.7 | -44.3 | 178.6 | -69.6 | 168 | 0 | 0 | 0 | 111.1 | E109 G110 R116 L117 I424 R428 | E109-L113 WeakPolarHBondContact O-CB 3.43Å; E109-L113 WeakPolarHBondContact O-CG 3.35Å; E109-L113 PolarHBondContact O-N 2.86Å; G110-L113 PolarHBondContact O-N 2.73Å; L113-R116 WeakPolarHBondContact O-CB 3.28Å; L113-R116 PolarHBondContact O-N 2.96Å; L113-L117 WeakPolarHBondContact O-CB 3.28Å; L113-L117 PolarHBondContact O-N 3.08Å; L113-I424 HydrophobicContact CD2-CG2 4.14Å; L113-I424 HydrophobicContact CG-CG2 4.22Å; L113-R428 HydrophobicContact CD1-CB 4.02Å; L113-R428 HydrophobicContact CD1-CG 3.74Å; L113-R428 HydrophobicContact CD2-CB 3.79Å; L113-R428 HydrophobicContact CD2-CG 4.11Å |
| 114 | I | 97.7 | Very high | 94.7 | Very high | 17 Ų | 17 | 43.1 Ų | 43.1 | 9% | 0.087 | 23% | 0.229 | C | C | . | . | H | α-helix | trans | -66.9 | -39.5 | 178 | -63.3 | 166.9 | 0 | 0 | 0 | 110.9 | Y86 G110 R116 L117 I118 D150 | Y86-I114 HydrophobicContact CD1-CB 3.87Å; Y86-I114 HydrophobicContact CD1-CD1 4.18Å; Y86-I114 HydrophobicContact CD1-CG2 3.91Å; Y86-I114 HydrophobicContact CD2-CB 4.34Å; Y86-I114 HydrophobicContact CD2-CG2 3.46Å; Y86-I114 VanDerWaalsContact CD2-CG2 3.46Å; Y86-I114 HydrophobicContact CE1-CB 4.08Å; Y86-I114 HydrophobicContact CE1-CD1 3.51Å; Y86-I114 HydrophobicContact CE1-CG1 4.39Å; Y86-I114 HydrophobicContact CE1-CG2 4.09Å; Y86-I114 HydrophobicContact CE2-CD1 4.43Å; Y86-I114 HydrophobicContact CE2-CG2 3.71Å; Y86-I114 HydrophobicContact CG-CB 3.96Å; Y86-I114 HydrophobicContact CG-CG2 3.55Å; G110-I114 WeakPolarHBondContact O-CG1 3.41Å; G110-I114 PolarHBondContact O-N 3.45Å; I114-R116 VanDerWaalsContact C-N 3.26Å; I114-R116 PolarHBondContact O-N 2.85Å; I114-L117 WeakPolarHBondContact O-CB 3.38Å; I114-L117 PolarHBondContact O-N 3.27Å; I114-L117 VanDerWaalsContact O-N 3.11Å; I114-I118 HydrophobicContact CG2-CD1 4.06Å; I114-I118 HydrophobicContact CG2-CG1 4.49Å; I114-I118 WeakPolarHBondContact O-CG1 3.35Å; I114-I118 PolarHBondContact O-N 3.44Å; I114-D150 HydrophobicContact CD1-CB 4.13Å; I114-D150 HydrophobicContact CG1-CB 3.99Å; I114-D150 HydrophobicContact CG2-CB 3.82Å |
| 115 | A | 98.2 | Very high | 95.1 | Very high | 3 Ų | 3 | 40.2 Ų | 40.2 | 3% | 0.025 | 22% | 0.215 | C | C | . | . | H | α-helix | trans | -58.5 | -40.1 | 173.6 | 0 | 0 | 0 | 0 | 0 | 112 | E111 I118 D119 | E111-A115 VanDerWaalsContact O-CB 3.32Å; E111-A115 WeakPolarHBondContact O-CB 3.47Å; E111-A115 PolarHBondContact O-N 2.87Å; A115-I118 PolarHBondContact O-N 2.89Å; A115-D119 WeakPolarHBondContact O-CB 3.22Å; A115-D119 PolarHBondContact O-N 3.25Å; A115-D119 VanDerWaalsContact O-N 3.08Å |
| 116 | R | 97.1 | Very high | 95.4 | Very high | 56 Ų | 56 | 37.6 Ų | 37.6 | 21% | 0.211 | 18% | 0.184 | C | C | . | . | H | α-helix | trans | -67 | -42.1 | 173.5 | -70 | 174.3 | 64 | 84.2 | 5.6 | 111.7 | T112 L113 I114 I118 D119 R120 R421 | T112-R116 WeakPolarHBondContact O-CG 3.42Å; T112-R116 PolarHBondContact O-N 3.07Å; T112-R116 VanDerWaalsContact O-N 3.14Å; L113-R116 WeakPolarHBondContact O-CB 3.28Å; L113-R116 PolarHBondContact O-N 2.96Å; I114-R116 VanDerWaalsContact C-N 3.26Å; I114-R116 PolarHBondContact O-N 2.85Å; R116-I118 PolarHBondContact O-N 3.01Å; R116-D119 PolarHBondContact O-N 3.39Å; R116-R120 VanDerWaalsContact O-CD 3.27Å; R116-R120 WeakPolarHBondContact O-CD 3.11Å; R116-R120 WeakPolarHBondContact O-CG 3.32Å; R116-R120 PolarHBondContact O-N 3.48Å; R116-R421 VanDerWaalsContact CD-O 3.29Å; R116-R421 WeakPolarHBondContact CD-O 3.48Å; R116-R421 PolarHBondContact NH1-O 3.32Å |
| 117 | L | 97.4 | Very high | 95.6 | Very high | 10 Ų | 10 | 28.7 Ų | 28.7 | 5% | 0.052 | 15% | 0.154 | C | C | . | . | H | α-helix | trans | -57.9 | -37 | 177.9 | -168.4 | 70.8 | 0 | 0 | 0 | 111.7 | L113 I114 P121 D150 M154 V201 M211 E213 | L113-L117 WeakPolarHBondContact O-CB 3.28Å; L113-L117 PolarHBondContact O-N 3.08Å; I114-L117 WeakPolarHBondContact O-CB 3.38Å; I114-L117 PolarHBondContact O-N 3.27Å; I114-L117 VanDerWaalsContact O-N 3.11Å; L117-P121 WeakPolarHBondContact O-CD 3.38Å; L117-D150 HydrophobicContact CD2-CB 4.24Å; L117-M154 HydrophobicContact CD2-SD 3.97Å; L117-M154 HydrophobicContact CG-CE 4.45Å; L117-M154 HydrophobicContact CG-SD 3.87Å; L117-V201 HydrophobicContact CD1-CB 4.4Å; L117-V201 HydrophobicContact CD1-CG1 4.14Å; L117-V201 HydrophobicContact CD2-CG1 4.22Å; L117-V201 HydrophobicContact CD2-CG2 4.49Å; L117-V201 HydrophobicContact CG-CG1 4.42Å; L117-M211 HydrophobicContact CD1-CE 3.49Å; L117-M211 VanDerWaalsContact CD1-CE 3.49Å; L117-M211 HydrophobicContact CD1-SD 3.88Å; L117-M211 HydrophobicContact CG-CE 4Å; L117-M211 VanDerWaalsContact O-CE 3.3Å; L117-M211 WeakPolarHBondContact O-CE 3.33Å; L117-E213 HydrophobicContact CD1-CB 4.16Å |
| 118 | I | 98.4 | Very high | 95.4 | Very high | 2 Ų | 2 | 33.5 Ų | 33.5 | 1% | 0.01 | 17% | 0.17 | C | C | . | . | H | α-helix | trans | -73.7 | -44.7 | 175 | -61.8 | 161.2 | 0 | 0 | 0 | 111.7 | V84 Y86 I114 A115 R116 P121 I122 A138 A153 M154 A157 | V84-I118 HydrophobicContact CG1-CB 3.93Å; V84-I118 HydrophobicContact CG1-CG2 3.81Å; Y86-I118 HydrophobicContact CD2-CD1 4.24Å; I114-I118 HydrophobicContact CG2-CD1 4.06Å; I114-I118 HydrophobicContact CG2-CG1 4.49Å; I114-I118 WeakPolarHBondContact O-CG1 3.35Å; I114-I118 PolarHBondContact O-N 3.44Å; A115-I118 PolarHBondContact O-N 2.89Å; R116-I118 PolarHBondContact O-N 3.01Å; I118-P121 WeakPolarHBondContact O-CD 3.35Å; I118-I122 HydrophobicContact CG2-CD1 4.37Å; I118-I122 WeakPolarHBondContact O-CG1 3.46Å; I118-A138 HydrophobicContact CD1-CB 4.29Å; I118-A153 HydrophobicContact CD1-CB 3.77Å; I118-M154 HydrophobicContact CG1-CG 3.73Å; I118-A157 HydrophobicContact CG2-CB 3.59Å |
| 119 | D | 97.2 | Very high | 95.3 | Very high | 29 Ų | 29 | 33.7 Ų | 33.7 | 16% | 0.155 | 18% | 0.181 | C | C | . | . | H | α-helix | trans | -60.7 | -47.9 | -176.8 | -171.7 | -21.2 | 0 | 0 | 0 | 112.5 | V84 A115 R116 I122 R123 | V84-D119 HydrophobicContact CB-CB 4.12Å; V84-D119 HydrophobicContact CG2-CB 3.79Å; A115-D119 WeakPolarHBondContact O-CB 3.22Å; A115-D119 PolarHBondContact O-N 3.25Å; A115-D119 VanDerWaalsContact O-N 3.08Å; R116-D119 PolarHBondContact O-N 3.39Å; D119-I122 VanDerWaalsContact O-CG1 3.25Å; D119-I122 WeakPolarHBondContact O-CG1 3.36Å; D119-I122 PolarHBondContact O-N 2.75Å; D119-R123 PolarHBondContact O-N 2.98Å; D119-R123 WeakPolarHBondContact OD1-CB 3.4Å; D119-R123 IonicContact OD1-CZ 2.84Å; D119-R123 IonicContact OD1-NE 2.83Å; D119-R123 PolarHBondContact OD1-NE 2.83Å; D119-R123 IonicContact OD1-NH2 3.48Å; D119-R123 PolarHBondContact OD1-NH2 2.63Å; D119-R123 VanDerWaalsContact OD1-NH2 3.08Å; D119-R123 IonicContact OD2-CZ 3.98Å; D119-R123 IonicContact OD2-NE 3.64Å; D119-R123 IonicContact OD2-NH2 3.26Å; D119-R123 PolarHBondContact OD2-NH2 3.07Å |
| 120 | R | 95.3 | Very high | 95.4 | Very high | 21 Ų | 21 | 29.7 Ų | 29.7 | 8% | 0.079 | 16% | 0.162 | C | C | . | . | H | α-helix | trans | -50.1 | -51.6 | -173.1 | -72.3 | 160.7 | 68.9 | 132.1 | 22.2 | 114.6 | R116 P124 M211 E213 M530 D531 | R116-R120 VanDerWaalsContact O-CD 3.27Å; R116-R120 WeakPolarHBondContact O-CD 3.11Å; R116-R120 WeakPolarHBondContact O-CG 3.32Å; R116-R120 PolarHBondContact O-N 3.48Å; R120-P124 WeakPolarHBondContact O-CD 3.34Å; R120-M211 HydrophobicContact CB-CB 4.42Å; R120-M211 HydrophobicContact CB-CG 3.94Å; R120-E213 IonicContact CZ-OE2 2.98Å; R120-E213 IonicContact NH1-OE2 3.67Å; R120-E213 PolarHBondContact NH1-OE2 3.22Å; R120-M530 PolarHBondContact NH2-O 2.98Å; R120-D531 WeakPolarHBondContact CB-OD1 3.42Å; R120-D531 WeakPolarHBondContact CG-OD1 3.37Å; R120-D531 IonicContact CZ-OD1 3.2Å; R120-D531 IonicContact CZ-OD2 3.5Å; R120-D531 IonicContact NE-OD1 2.78Å; R120-D531 PolarHBondContact NE-OD1 3.08Å; R120-D531 IonicContact NE-OD2 3.33Å; R120-D531 PolarHBondContact NE-OD2 2.79Å; R120-D531 IonicContact NH1-OD2 2.84Å; R120-D531 IonicContact NH2-OD1 2.78Å; R120-D531 PolarHBondContact NH2-OD1 2.99Å; R120-D531 IonicContact NH2-OD2 3.33Å; R120-D531 PolarHBondContact NH2-OD2 2.83Å |
| 121 | P | 96.7 | Very high | 95.4 | Very high | 0 Ų | 0 | 30 Ų | 30 | 0% | 0 | 16% | 0.158 | C | C | . | . | H | α-helix | trans | -79.3 | -18.3 | 179.3 | 31.1 | -37.5 | 0 | 0 | 0 | 114.4 | L117 I118 M154 I172 A203 L210 M211 | L117-P121 WeakPolarHBondContact O-CD 3.38Å; I118-P121 WeakPolarHBondContact O-CD 3.35Å; P121-M154 HydrophobicContact CG-CE 3.79Å; P121-I172 HydrophobicContact CB-CD1 3.77Å; P121-I172 HydrophobicContact CG-CD1 3.6Å; P121-A203 HydrophobicContact CB-CB 3.78Å; P121-A203 HydrophobicContact CG-CB 3.92Å; P121-L210 HydrophobicContact CB-CB 4.14Å; P121-L210 WeakPolarHBondContact O-CD1 3.48Å; P121-M211 HydrophobicContact CB-CB 4.23Å; P121-M211 HydrophobicContact CG-CE 4.09Å |
| 122 | I | 97.3 | Very high | 95.4 | Very high | 0 Ų | 0 | 29 Ų | 29 | 0% | 0 | 15% | 0.154 | C | C | . | . | H | α-helix | trans | -91.1 | -32 | -177.8 | 64.5 | 172.4 | 0 | 0 | 0 | 112.7 | L82 V84 I118 D119 L125 F126 V136 L161 F168 I172 | L82-I122 HydrophobicContact CD2-CD1 4.06Å; L82-I122 HydrophobicContact CD2-CG1 4.06Å; V84-I122 HydrophobicContact CG2-CD1 3.97Å; I118-I122 HydrophobicContact CG2-CD1 4.37Å; I118-I122 WeakPolarHBondContact O-CG1 3.46Å; D119-I122 VanDerWaalsContact O-CG1 3.25Å; D119-I122 WeakPolarHBondContact O-CG1 3.36Å; D119-I122 PolarHBondContact O-N 2.75Å; I122-L125 PolarHBondContact O-N 2.97Å; I122-F126 VanDerWaalsContact O-CD2 3.26Å; I122-F126 WeakPolarHBondContact O-CD2 3.41Å; I122-F126 WeakPolarHBondContact O-CE2 3.41Å; I122-V136 HydrophobicContact CD1-CG2 4.33Å; I122-L161 HydrophobicContact CB-CD1 4.06Å; I122-L161 HydrophobicContact CD1-CD1 3.76Å; I122-L161 HydrophobicContact CG1-CD1 4.47Å; I122-L161 HydrophobicContact CG2-CD1 4.1Å; I122-F168 HydrophobicContact CB-CE2 3.98Å; I122-F168 HydrophobicContact CB-CZ 4.33Å; I122-F168 HydrophobicContact CG2-CE2 4.34Å; I122-F168 HydrophobicContact CG2-CZ 4.18Å; I122-I172 HydrophobicContact CG2-CD1 3.63Å; I122-I172 HydrophobicContact CG2-CG1 4.34Å |
| 123 | R | 95.8 | Very high | 95.4 | Very high | 89 Ų | 89 | 31 Ų | 31 | 34% | 0.336 | 16% | 0.162 | S | C | . | . | G | 310 helix | trans | -60.5 | -44.1 | -175.7 | -179.8 | 177.6 | -62.5 | -87.4 | -1.4 | 113.9 | F80 L82 D119 L125 F126 | F80-R123 HydrophobicContact CD1-CG 4.48Å; F80-R123 PolarHBondContact O-NH1 3.26Å; L82-R123 HydrophobicContact CD2-CB 3.97Å; L82-R123 HydrophobicContact CD2-CG 4.42Å; L82-R123 PolarHBondContact O-NH2 2.8Å; D119-R123 PolarHBondContact O-N 2.98Å; D119-R123 WeakPolarHBondContact OD1-CB 3.4Å; D119-R123 IonicContact OD1-CZ 2.84Å; D119-R123 IonicContact OD1-NE 2.83Å; D119-R123 PolarHBondContact OD1-NE 2.83Å; D119-R123 IonicContact OD1-NH2 3.48Å; D119-R123 PolarHBondContact OD1-NH2 2.63Å; D119-R123 VanDerWaalsContact OD1-NH2 3.08Å; D119-R123 IonicContact OD2-CZ 3.98Å; D119-R123 IonicContact OD2-NE 3.64Å; D119-R123 IonicContact OD2-NH2 3.26Å; D119-R123 PolarHBondContact OD2-NH2 3.07Å; R123-L125 PolarHBondContact O-N 3.07Å; R123-F126 PolarHBondContact O-N 2.92Å |
| 124 | P | 94.2 | Very high | 95.5 | Very high | 28 Ų | 28 | 29.7 Ų | 29.7 | 18% | 0.182 | 16% | 0.156 | C | C | . | . | G | 310 helix | trans | -67.8 | -12.8 | 179.7 | -19.7 | 33.5 | 0 | 0 | 0 | 113.8 | R120 L210 I532 | R120-P124 WeakPolarHBondContact O-CD 3.34Å; P124-L210 HydrophobicContact CB-CD2 4.48Å; P124-I532 WeakPolarHBondContact CG-O 3.38Å |
| 125 | L | 95.9 | Very high | 95.6 | Very high | 1 Ų | 1 | 32.3 Ų | 32.3 | 1% | 0.005 | 17% | 0.167 | C | C | . | . | G | 310 helix | trans | -92.2 | 3.1 | -178.2 | -61.3 | -179 | 0 | 0 | 0 | 113.5 | I122 R123 F168 N169 I172 T205 L210 | I122-L125 PolarHBondContact O-N 2.97Å; R123-L125 PolarHBondContact O-N 3.07Å; L125-F168 HydrophobicContact CB-CD2 3.93Å; L125-F168 HydrophobicContact CB-CE2 3.61Å; L125-F168 HydrophobicContact CB-CZ 4.43Å; L125-F168 HydrophobicContact CD1-CE2 3.96Å; L125-F168 HydrophobicContact CD1-CZ 4Å; L125-F168 HydrophobicContact CG-CE2 4.42Å; L125-N169 HydrophobicContact CB-CB 4.39Å; L125-N169 WeakPolarHBondContact O-CB 3.49Å; L125-N169 PolarHBondContact O-N 3.47Å; L125-I172 HydrophobicContact CD1-CG2 3.29Å; L125-T205 HydrophobicContact CD1-CG2 3.92Å; L125-T205 HydrophobicContact CD2-CG2 3.9Å; L125-L210 HydrophobicContact CD1-CD1 3.73Å; L125-L210 HydrophobicContact CD2-CD1 3.95Å; L125-L210 HydrophobicContact CD2-CD2 4.32Å; L125-L210 HydrophobicContact CG-CD1 3.9Å |
| 126 | F | 95.9 | Very high | 95.6 | Very high | 15 Ų | 15 | 32.1 Ų | 32.1 | 7% | 0.066 | 17% | 0.166 | C | C | . | . | S | Bend | trans | -85.4 | 140.7 | 166.1 | -69.2 | -92 | 0 | 0 | 0 | 109 | F80 L82 I122 R123 F130 V134 L161 I166 P167 F168 | F80-F126 HydrophobicContact CD1-CB 4.31Å; F80-F126 HydrophobicContact CD1-CG 4.44Å; F80-F126 HydrophobicContact CE1-CB 3.74Å; F80-F126 HydrophobicContact CE1-CD1 4.05Å; F80-F126 AromaticContact CE1-CD2 3.36Å; F80-F126 HydrophobicContact CE1-CD2 3.36Å; F80-F126 HydrophobicContact CE1-CE1 4.5Å; F80-F126 AromaticContact CE1-CE2 3.89Å; F80-F126 HydrophobicContact CE1-CE2 3.89Å; F80-F126 AromaticContact CE1-CG 3.42Å; F80-F126 HydrophobicContact CE1-CG 3.42Å; F80-F126 VanDerWaalsContact CE1-CG 3.42Å; F80-F126 HydrophobicContact CE1-CZ 4.42Å; F80-F126 HydrophobicContact CE2-CD1 4.28Å; F80-F126 HydrophobicContact CE2-CG 4.42Å; F80-F126 HydrophobicContact CZ-CB 4.03Å; F80-F126 AromaticContact CZ-CD1 3.52Å; F80-F126 HydrophobicContact CZ-CD1 3.52Å; F80-F126 AromaticContact CZ-CD2 3.61Å; F80-F126 HydrophobicContact CZ-CD2 3.61Å; F80-F126 AromaticContact CZ-CE1 3.76Å; F80-F126 HydrophobicContact CZ-CE1 3.76Å; F80-F126 AromaticContact CZ-CE2 3.84Å; F80-F126 HydrophobicContact CZ-CE2 3.84Å; F80-F126 AromaticContact CZ-CG 3.41Å; F80-F126 HydrophobicContact CZ-CG 3.41Å; F80-F126 VanDerWaalsContact CZ-CG 3.41Å; F80-F126 AromaticContact CZ-CZ 3.9Å; F80-F126 HydrophobicContact CZ-CZ 3.9Å; L82-F126 HydrophobicContact CD2-CE2 4.09Å; I122-F126 VanDerWaalsContact O-CD2 3.26Å; I122-F126 WeakPolarHBondContact O-CD2 3.41Å; I122-F126 WeakPolarHBondContact O-CE2 3.41Å; R123-F126 PolarHBondContact O-N 2.92Å; F126-F130 HydrophobicContact CB-CD1 4.27Å; F126-F130 AromaticContact CD1-CD1 3.72Å; F126-F130 HydrophobicContact CD1-CD1 3.72Å; F126-F130 AromaticContact CD1-CE1 3.75Å; F126-F130 HydrophobicContact CD1-CE1 3.75Å; F126-F130 HydrophobicContact CE1-CE1 4.17Å; F126-F130 HydrophobicContact CG-CD1 4.36Å; F126-V134 HydrophobicContact CE1-CG2 4.28Å; F126-V134 HydrophobicContact CZ-CG1 4.36Å; F126-L161 HydrophobicContact CE1-CD2 4.47Å; F126-L161 HydrophobicContact CZ-CD1 4.39Å; F126-L161 HydrophobicContact CZ-CD2 3.82Å; F126-I166 HydrophobicContact CD1-CG2 4.39Å; F126-I166 HydrophobicContact CE1-CG2 3.82Å; F126-P167 WeakPolarHBondContact CD1-O 3.37Å; F126-F168 HydrophobicContact CD2-CD2 4.25Å; F126-F168 HydrophobicContact CE1-CB 4.37Å; F126-F168 HydrophobicContact CE1-CD2 4.36Å; F126-F168 AromaticContact CE2-CD2 3.91Å; F126-F168 HydrophobicContact CE2-CD2 3.91Å; F126-F168 HydrophobicContact CE2-CE2 4.29Å; F126-F168 AromaticContact CZ-CD2 3.99Å; F126-F168 HydrophobicContact CZ-CD2 3.99Å |
| 127 | P | 92.9 | Very high | 95.7 | Very high | 30 Ų | 30 | 31.3 Ų | 31.3 | 20% | 0.195 | 17% | 0.165 | C | C | . | . | P | Polyproline II helix | trans | -63.5 | 149.1 | -178.6 | 22.4 | -27 | 0 | 0 | 0 | 111.1 | F130 P167 W256 | P127-F130 HydrophobicContact CG-CB 4.01Å; P127-F130 HydrophobicContact CG-CG 4.42Å; P127-F130 WeakPolarHBondContact O-CB 3.4Å; P127-F130 PolarHBondContact O-N 2.85Å; P127-F130 VanDerWaalsContact O-N 3.11Å; P127-P167 WeakPolarHBondContact CD-O 3.45Å; P127-P167 HydrophobicContact CG-CB 3.78Å; P127-W256 HydrophobicContact CB-CH2 4.06Å; P127-W256 HydrophobicContact CB-CZ3 3.88Å; P127-W256 HydrophobicContact CG-CE3 4.26Å; P127-W256 HydrophobicContact CG-CH2 3.98Å; P127-W256 HydrophobicContact CG-CZ3 3.65Å |
| 128 | E | 88.1 | Confident | 95.8 | Very high | 170 Ų | 170 | 30.9 Ų | 30.9 | 79% | 0.794 | 16% | 0.163 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -56.9 | 142.6 | 173.6 | -167.8 | 164.9 | -155.1 | 0 | 0 | 110.7 | F130 | E128-F130 PolarHBondContact O-N 2.93Š|
| 129 | G | 89 | Confident | 95.8 | Very high | 55 Ų | 55 | 31.8 Ų | 31.8 | 57% | 0.567 | 17% | 0.169 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 74.6 | -1 | -173.1 | 0 | 0 | 0 | 0 | 0 | 115.3 | V131 | G129-V131 PolarHBondContact O-N 3.24Š|
| 130 | F | 93.8 | Very high | 95.8 | Very high | 4 Ų | 4 | 30.4 Ų | 30.4 | 2% | 0.018 | 16% | 0.162 | C | C | . | . | trans | -74.7 | 95.4 | 175.9 | -170.8 | -106.7 | 0 | 0 | 0 | 111.6 | F80 F126 P127 E128 N132 V134 I166 P167 W254 W256 | F80-F130 WeakPolarHBondContact CB-O 3.23Å; F80-F130 AromaticContact CD2-CD1 3.92Å; F80-F130 HydrophobicContact CD2-CD1 3.92Å; F80-F130 HydrophobicContact CD2-CE1 4.47Å; F80-F130 WeakPolarHBondContact CD2-O 3.35Å; F80-F130 AromaticContact CE2-CD1 3.51Å; F80-F130 HydrophobicContact CE2-CD1 3.51Å; F80-F130 AromaticContact CE2-CE1 3.72Å; F80-F130 HydrophobicContact CE2-CE1 3.72Å; F80-F130 VanDerWaalsContact CG-O 3.32Å; F80-F130 WeakPolarHBondContact CG-O 3.23Å; F80-F130 HydrophobicContact CZ-CD1 4.06Å; F80-F130 HydrophobicContact CZ-CE1 4.27Å; F126-F130 HydrophobicContact CB-CD1 4.27Å; F126-F130 AromaticContact CD1-CD1 3.72Å; F126-F130 HydrophobicContact CD1-CD1 3.72Å; F126-F130 AromaticContact CD1-CE1 3.75Å; F126-F130 HydrophobicContact CD1-CE1 3.75Å; F126-F130 HydrophobicContact CE1-CE1 4.17Å; F126-F130 HydrophobicContact CG-CD1 4.36Å; P127-F130 HydrophobicContact CG-CB 4.01Å; P127-F130 HydrophobicContact CG-CG 4.42Å; P127-F130 WeakPolarHBondContact O-CB 3.4Å; P127-F130 PolarHBondContact O-N 2.85Å; P127-F130 VanDerWaalsContact O-N 3.11Å; E128-F130 PolarHBondContact O-N 2.93Å; F130-N132 HydrophobicContact CD1-CB 4.49Å; F130-N132 HydrophobicContact CD2-CB 4.36Å; F130-N132 HydrophobicContact CE1-CB 3.88Å; F130-N132 HydrophobicContact CE2-CB 3.72Å; F130-N132 HydrophobicContact CZ-CB 3.45Å; F130-N132 VanDerWaalsContact CZ-CB 3.45Å; F130-V134 HydrophobicContact CE1-CG2 3.88Å; F130-V134 HydrophobicContact CZ-CG2 4.45Å; F130-I166 HydrophobicContact CE1-CG2 3.97Å; F130-I166 HydrophobicContact CZ-CG2 3.68Å; F130-P167 HydrophobicContact CD2-CB 4.42Å; F130-P167 HydrophobicContact CD2-CG 4.28Å; F130-P167 HydrophobicContact CE2-CB 4.31Å; F130-P167 HydrophobicContact CE2-CG 3.81Å; F130-P167 HydrophobicContact CZ-CG 4.44Å; F130-W254 HydrophobicContact CZ-CZ3 4.24Å; F130-W256 HydrophobicContact CB-CH2 4.49Å; F130-W256 HydrophobicContact CB-CZ2 4.2Å; F130-W256 HydrophobicContact CD2-CD2 4.07Å; F130-W256 AromaticContact CD2-CE2 3.78Å; F130-W256 HydrophobicContact CD2-CG 4.33Å; F130-W256 HydrophobicContact CD2-CZ2 4.15Å; F130-W256 AromaticContact CD2-NE1 3.84Å; F130-W256 HydrophobicContact CE2-CG 4.42Å | ||
| 131 | V | 94.3 | Very high | 95.9 | Very high | 32 Ų | 32 | 31.2 Ų | 31.2 | 19% | 0.194 | 17% | 0.169 | C | C | . | . | trans | -102.5 | 13.6 | -177.2 | -66.8 | 0 | 0 | 0 | 0 | 113.9 | A73 Q77 P81 G129 | A73-V131 HydrophobicContact CB-CG2 3.78Å; Q77-V131 HydrophobicContact CB-CB 4.47Å; Q77-V131 HydrophobicContact CG-CB 3.99Å; Q77-V131 WeakPolarHBondContact CG-O 3.33Å; P81-V131 WeakPolarHBondContact CD-O 3.37Å; G129-V131 PolarHBondContact O-N 3.24Å | ||
| 132 | N | 95.6 | Very high | 96 | Very high | 6 Ų | 6 | 33.4 Ų | 33.4 | 3% | 0.032 | 18% | 0.184 | C | C | . | . | trans | -72.7 | 133.8 | 176 | -71.5 | 69.2 | 0 | 0 | 0 | 111.4 | Q70 K71 F80 F130 V134 | Q70-N132 WeakPolarHBondContact O-CB 3.41Å; Q70-N132 PolarHBondContact O-ND2 3.19Å; K71-N132 PolarHBondContact O-ND2 2.93Å; F80-N132 WeakPolarHBondContact CE2-O 3.36Å; F130-N132 HydrophobicContact CD1-CB 4.49Å; F130-N132 HydrophobicContact CD2-CB 4.36Å; F130-N132 HydrophobicContact CE1-CB 3.88Å; F130-N132 HydrophobicContact CE2-CB 3.72Å; F130-N132 HydrophobicContact CZ-CB 3.45Å; F130-N132 VanDerWaalsContact CZ-CB 3.45Å; N132-V134 PolarHBondContact O-N 3.21Å | ||
| 133 | E | 97.2 | Very high | 96 | Very high | 55 Ų | 55 | 34.2 Ų | 34.2 | 26% | 0.257 | 19% | 0.189 | S | C | . | . | trans | -65.5 | 126.8 | 178.4 | -173.2 | 173.6 | -178.8 | 0 | 0 | 111.5 | G69 Q70 K74 P81 | G69-E133 CarbonylContact C-O 3.59Å; G69-E133 WeakPolarHBondContact CA-O 3.42Å; Q70-E133 HydrophobicContact CB-CB 4.31Å; Q70-E133 HydrophobicContact CG-CB 4.14Å; Q70-E133 PolarHBondContact N-O 3.27Å; K74-E133 WeakPolarHBondContact CE-OE2 3.46Å; K74-E133 IonicContact NZ-OE1 2.66Å; K74-E133 IonicContact NZ-OE2 2.8Å; K74-E133 PolarHBondContact NZ-OE2 2.97Å; P81-E133 HydrophobicContact CB-CB 4.47Å; P81-E133 HydrophobicContact CB-CG 4.34Å; P81-E133 HydrophobicContact CG-CB 4.03Å; P81-E133 HydrophobicContact CG-CG 4.44Å | ||
| 134 | V | 98.5 | Very high | 96 | Very high | 0 Ų | 0 | 32.1 Ų | 32.1 | 0% | 0 | 19% | 0.185 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.2 | 130.8 | 177.3 | 177.9 | 0 | 0 | 0 | 0 | 109.4 | V67 V68 F80 P81 L82 T83 F126 F130 N132 V136 L161 I166 | V67-V134 HydrophobicContact CG1-CG1 4.4Å; V68-V134 CarbonylContact O-C 3.6Å; V68-V134 WeakPolarHBondContact O-CA 3.49Å; F80-V134 HydrophobicContact CE2-CB 4.29Å; F80-V134 HydrophobicContact CE2-CG2 4.02Å; F80-V134 HydrophobicContact CZ-CB 4.34Å; F80-V134 HydrophobicContact CZ-CG2 4.29Å; P81-V134 PolarHBondContact O-N 2.74Å; L82-V134 WeakPolarHBondContact CA-O 3.47Å; L82-V134 HydrophobicContact CD1-CB 4.06Å; L82-V134 HydrophobicContact CD1-CG1 3.85Å; T83-V134 PolarHBondContact N-O 2.85Å; F126-V134 HydrophobicContact CE1-CG2 4.28Å; F126-V134 HydrophobicContact CZ-CG1 4.36Å; F130-V134 HydrophobicContact CE1-CG2 3.88Å; F130-V134 HydrophobicContact CZ-CG2 4.45Å; N132-V134 PolarHBondContact O-N 3.21Å; V134-V136 HydrophobicContact CG1-CG2 4.45Å; V134-L161 HydrophobicContact CG1-CD2 4.24Å; V134-I166 HydrophobicContact CG1-CD1 4.3Å; V134-I166 HydrophobicContact CG2-CD1 4.25Å; V134-I166 HydrophobicContact CG2-CG2 4.28Å |
| 135 | Q | 98.6 | Very high | 96 | Very high | 72 Ų | 72 | 34.3 Ų | 34.3 | 34% | 0.336 | 20% | 0.199 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.9 | 126.8 | 176.6 | -175.8 | 174.8 | 81 | 0 | 0 | 110.2 | V67 V68 T83 I137 | V67-Q135 WeakPolarHBondContact CA-O 3.43Å; V68-Q135 PolarHBondContact N-O 3.07Å; V68-Q135 PolarHBondContact O-N 3.42Å; T83-Q135 CarbonylContact O-C 3.6Å; T83-Q135 WeakPolarHBondContact O-CA 3.41Å; Q135-I137 HydrophobicContact CG-CD1 4.35Å; Q135-I137 HydrophobicContact CG-CG1 4Å |
| 136 | V | 98.9 | Very high | 96 | Very high | 0 Ų | 0 | 37.1 Ų | 37.1 | 0% | 0 | 21% | 0.212 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114 | 123.3 | 173.5 | -173 | 0 | 0 | 0 | 0 | 108.4 | V65 T66 V67 L82 T83 V84 N85 I122 V134 A157 L161 | V65-V136 HydrophobicContact CG1-CG1 3.99Å; T66-V136 WeakPolarHBondContact O-CA 3.33Å; V67-V136 HydrophobicContact CG2-CG1 4.42Å; V67-V136 HydrophobicContact CG2-CG2 4.22Å; L82-V136 HydrophobicContact CD1-CG2 4.08Å; T83-V136 PolarHBondContact O-N 3.14Å; V84-V136 WeakPolarHBondContact CA-O 3.46Å; V84-V136 HydrophobicContact CG1-CB 4.47Å; V84-V136 HydrophobicContact CG2-CB 4.34Å; N85-V136 PolarHBondContact N-O 3.05Å; I122-V136 HydrophobicContact CD1-CG2 4.33Å; V134-V136 HydrophobicContact CG1-CG2 4.45Å; V136-A157 HydrophobicContact CG1-CB 4.04Å; V136-L161 HydrophobicContact CG2-CD1 4.46Å; V136-L161 HydrophobicContact CG2-CD2 4.34Å; V136-L161 HydrophobicContact CG2-CG 4.5Å |
| 137 | I | 98.7 | Very high | 96 | Very high | 38 Ų | 38 | 36.7 Ų | 36.7 | 20% | 0.195 | 21% | 0.21 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.3 | 114.8 | 175.1 | -53.9 | 179 | 0 | 0 | 0 | 108.4 | V65 T66 N85 Q135 | V65-I137 CarbonylContact C-O 3.6Å; V65-I137 VanDerWaalsContact CA-O 3.32Å; V65-I137 WeakPolarHBondContact CA-O 3.35Å; T66-I137 PolarHBondContact N-O 2.95Å; T66-I137 PolarHBondContact O-N 2.89Å; N85-I137 CarbonylContact O-C 3.57Å; N85-I137 WeakPolarHBondContact O-CA 3.23Å; Q135-I137 HydrophobicContact CG-CD1 4.35Å; Q135-I137 HydrophobicContact CG-CG1 4Å |
| 138 | A | 98.8 | Very high | 96.1 | Very high | 1 Ų | 1 | 36.6 Ų | 36.6 | 1% | 0.008 | 21% | 0.208 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -102.6 | 112.6 | 171.8 | 0 | 0 | 0 | 0 | 0 | 109.4 | V63 V65 N85 Y86 Q87 I118 A153 | V63-A138 HydrophobicContact CG1-CB 3.93Å; V65-A138 HydrophobicContact CG1-CB 4.45Å; V65-A138 HydrophobicContact CG2-CB 3.94Å; N85-A138 PolarHBondContact O-N 3.09Å; Y86-A138 CarbonylContact C-O 3.53Å; Y86-A138 VanDerWaalsContact CA-O 3.31Å; Y86-A138 WeakPolarHBondContact CA-O 3.02Å; Y86-A138 HydrophobicContact CD2-CB 4.15Å; Q87-A138 PolarHBondContact N-O 3.32Å; I118-A138 HydrophobicContact CD1-CB 4.29Å; A138-A153 HydrophobicContact CB-CB 4.05Å |
| 139 | T | 98.6 | Very high | 96.6 | Very high | 21 Ų | 21 | 28.6 Ų | 28.6 | 13% | 0.129 | 17% | 0.171 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.5 | 120.1 | 179.7 | -53.4 | 0 | 0 | 0 | 0 | 109.9 | V63 F64 Q87 R89 V141 | V63-T139 CarbonylContact C-O 3.54Å; V63-T139 WeakPolarHBondContact CA-O 3.38Å; F64-T139 PolarHBondContact N-O 2.73Å; F64-T139 PolarHBondContact O-N 3.25Å; Q87-T139 HydrophobicContact CB-CG2 4.47Å; Q87-T139 CarbonylContact O-C 3.54Å; Q87-T139 WeakPolarHBondContact O-CA 3.41Å; R89-T139 HydrophobicContact CG-CG2 3.73Å; T139-V141 HydrophobicContact CG2-CG1 4.13Å; T139-V141 PolarHBondContact O-N 3.02Å |
| 140 | V | 98.4 | Very high | 97 | Very high | 0 Ų | 0 | 26.4 Ų | 26.4 | 0% | 0 | 15% | 0.146 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -72.9 | 121.3 | 172.5 | -169 | 0 | 0 | 0 | 0 | 108.8 | V63 Y86 Q87 E88 A92 V143 P149 L391 | V63-V140 HydrophobicContact CG2-CG2 4.31Å; Y86-V140 HydrophobicContact CE1-CG2 4.36Å; Y86-V140 HydrophobicContact CE2-CG2 3.55Å; Y86-V140 VanDerWaalsContact CZ-CG2 3.45Å; Y86-V140 WeakPolarHBondContact OH-CG2 3.47Å; Q87-V140 PolarHBondContact O-N 3.27Å; E88-V140 HydrophobicContact CG-CG2 4.16Å; A92-V140 HydrophobicContact CB-CG1 4.08Å; V140-V143 HydrophobicContact CG1-CB 4.5Å; V140-P149 HydrophobicContact CG1-CB 4.13Å; V140-P149 HydrophobicContact CG2-CB 3.82Å; V140-P149 HydrophobicContact CG2-CG 4.19Å; V140-L391 HydrophobicContact CB-CD2 4.01Å; V140-L391 HydrophobicContact CG1-CD2 3.64Å; V140-L391 HydrophobicContact CG2-CD2 4.46Å |
| 141 | V | 97.7 | Very high | 97.2 | Very high | 38 Ų | 38 | 26.4 Ų | 26.4 | 23% | 0.23 | 15% | 0.146 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.3 | -16.9 | -175.5 | -63.2 | 0 | 0 | 0 | 0 | 113.4 | M55 A62 F64 Y91 A92 T139 | M55-V141 HydrophobicContact CE-CG2 3.87Å; M55-V141 HydrophobicContact SD-CG2 3.88Å; A62-V141 HydrophobicContact CB-CG2 4.08Å; A62-V141 WeakPolarHBondContact O-CG2 3.31Å; A62-V141 PolarHBondContact O-N 3.38Å; F64-V141 HydrophobicContact CB-CG1 4.09Å; Y91-V141 HydrophobicContact CE2-CB 4.22Å; Y91-V141 HydrophobicContact CE2-CG1 4.44Å; A92-V141 WeakPolarHBondContact CA-O 2.99Å; T139-V141 HydrophobicContact CG2-CG1 4.13Å; T139-V141 PolarHBondContact O-N 3.02Å |
| 142 | S | 98.1 | Very high | 97.4 | Very high | 47 Ų | 47 | 24.9 Ų | 24.9 | 33% | 0.329 | 14% | 0.137 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -147.6 | 141.3 | 170.5 | -178.4 | 0 | 0 | 0 | 0 | 108.6 | D60 T61 A62 | D60-S142 WeakPolarHBondContact O-CB 3.13Å; D60-S142 PolarHBondContact O-OG 3.27Å; T61-S142 CarbonylContact C-O 3.59Å; T61-S142 WeakPolarHBondContact CA-O 3.17Å; A62-S142 PolarHBondContact N-O 3.43Å; A62-S142 PolarHBondContact O-N 3.42Å |
| 143 | V | 97.4 | Very high | 97.5 | Very high | 16 Ų | 16 | 24.6 Ų | 24.6 | 10% | 0.097 | 14% | 0.136 | C | C | . | . | trans | -131.5 | 125.5 | 176 | 78.8 | 0 | 0 | 0 | 0 | 111 | T61 A92 A93 V140 L391 M392 | T61-V143 HydrophobicContact CG2-CG2 4.46Å; A92-V143 PolarHBondContact O-N 3.21Å; A93-V143 HydrophobicContact CB-CG1 3.74Å; V140-V143 HydrophobicContact CG1-CB 4.5Å; V143-L391 HydrophobicContact CB-CD2 4.27Å; V143-L391 HydrophobicContact CG1-CD2 4.42Å; V143-L391 HydrophobicContact CG1-CG 4.21Å; V143-L391 HydrophobicContact CG2-CD2 4.42Å; V143-M392 HydrophobicContact CG2-CG 4.3Å | ||
| 144 | N | 96.1 | Very high | 97.6 | Very high | 46 Ų | 46 | 22 Ų | 22 | 25% | 0.246 | 12% | 0.124 | C | C | . | . | trans | -86.1 | 118.3 | 157.2 | 174.7 | -6.2 | 0 | 0 | 0 | 107.2 | D59 D60 T61 Q146 V147 | D59-N144 VanDerWaalsContact O-CB 3.24Å; D59-N144 WeakPolarHBondContact O-CB 3.32Å; D59-N144 PolarHBondContact O-ND2 3.38Å; D60-N144 HydrophobicContact CB-CB 4.46Å; T61-N144 WeakPolarHBondContact OG1-CB 3.1Å; T61-N144 PolarHBondContact OG1-N 3.46Å; T61-N144 PolarHBondContact OG1-O 3.15Å; N144-Q146 PolarHBondContact O-N 2.94Å; N144-Q146 PolarHBondContact OD1-N 3.4Å; N144-V147 HydrophobicContact CB-CB 4.47Å; N144-V147 PolarHBondContact O-N 3.48Å | ||
| 145 | P | 93.5 | Very high | 97.6 | Very high | 73 Ų | 73 | 22.1 Ų | 22.1 | 47% | 0.474 | 12% | 0.124 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -58.7 | -15.9 | -177.3 | -25.4 | 34.7 | 0 | 0 | 0 | 115.1 | Q190 | P145-Q190 WeakPolarHBondContact O-CG 3.46Š|
| 146 | Q | 95.2 | Very high | 97.6 | Very high | 61 Ų | 61 | 18.7 Ų | 18.7 | 29% | 0.285 | 11% | 0.108 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -85.7 | -13.5 | 176.1 | -67 | -62.5 | -25.5 | 0 | 0 | 113.7 | N144 T189 Q190 D191 | N144-Q146 PolarHBondContact O-N 2.94Å; N144-Q146 PolarHBondContact OD1-N 3.4Å; Q146-T189 HydrophobicContact CB-CG2 4.34Å; Q146-T189 CarbonylContact O-C 3.52Å; Q146-T189 VanDerWaalsContact O-CA 3.27Å; Q146-T189 WeakPolarHBondContact O-CA 3.4Å; Q146-Q190 PolarHBondContact O-N 3.07Å; Q146-D191 PolarHBondContact NE2-OD2 3.02Å; Q146-D191 PolarHBondContact OE1-OD2 3.02Å |
| 147 | V | 96.8 | Very high | 97.6 | Very high | 5 Ų | 5 | 18.7 Ų | 18.7 | 3% | 0.03 | 11% | 0.108 | C | C | . | . | S | Bend | trans | -123.4 | 109.4 | -174.4 | 179.3 | 0 | 0 | 0 | 0 | 110.2 | M58 D59 T61 N144 V152 | M58-V147 HydrophobicContact CB-CG1 4.23Å; M58-V147 HydrophobicContact CE-CG1 3.37Å; M58-V147 HydrophobicContact CG-CG1 4.23Å; D59-V147 HydrophobicContact CB-CG2 4.24Å; T61-V147 PolarHBondContact OG1-O 2.82Å; N144-V147 HydrophobicContact CB-CB 4.47Å; N144-V147 PolarHBondContact O-N 3.48Å; V147-V152 HydrophobicContact CG1-CG2 4.48Å |
| 148 | N | 94.9 | Very high | 97.6 | Very high | 29 Ų | 29 | 16.9 Ų | 16.9 | 16% | 0.155 | 10% | 0.099 | C | C | . | . | trans | -64.7 | 129.4 | -179.6 | -166.1 | -43 | 0 | 0 | 0 | 110.8 | D150 M392 | N148-D150 VanDerWaalsContact CG-CG 3.47Å; N148-D150 PolarHBondContact ND2-OD2 2.9Å; N148-D150 PolarHBondContact O-N 3.08Å; N148-D150 PolarHBondContact OD1-N 3.19Å; N148-D150 PolarHBondContact OD1-OD1 2.82Å; N148-D150 PolarHBondContact OD1-OD2 3.33Å; N148-M392 HydrophobicContact CB-SD 4.35Å | ||
| 149 | P | 97.6 | Very high | 97.6 | Very high | 1 Ų | 1 | 16.9 Ų | 16.9 | 1% | 0.006 | 10% | 0.099 | C | C | . | . | H | α-helix | trans | -67.1 | -11.4 | 178.6 | 26.2 | -37.6 | 0 | 0 | 0 | 115.7 | T61 V63 Y86 V140 V152 A153 | T61-P149 HydrophobicContact CG2-CB 3.76Å; V63-P149 HydrophobicContact CG2-CB 4.01Å; Y86-P149 HydrophobicContact CE2-CB 4.44Å; Y86-P149 WeakPolarHBondContact OH-CG 3.41Å; V140-P149 HydrophobicContact CG1-CB 4.13Å; V140-P149 HydrophobicContact CG2-CB 3.82Å; V140-P149 HydrophobicContact CG2-CG 4.19Å; P149-V152 WeakPolarHBondContact O-CB 3.45Å; P149-V152 PolarHBondContact O-N 3.26Å; P149-A153 WeakPolarHBondContact O-CB 3.47Å; P149-A153 PolarHBondContact O-N 3.22Å |
| 150 | D | 97.6 | Very high | 97.7 | Very high | 10 Ų | 10 | 15.9 Ų | 15.9 | 5% | 0.053 | 9% | 0.093 | C | C | . | . | H | α-helix | trans | -65.8 | -50.9 | -174.6 | 55.2 | 24 | 0 | 0 | 0 | 114.4 | I114 L117 N148 V152 A153 M154 R176 | I114-D150 HydrophobicContact CD1-CB 4.13Å; I114-D150 HydrophobicContact CG1-CB 3.99Å; I114-D150 HydrophobicContact CG2-CB 3.82Å; L117-D150 HydrophobicContact CD2-CB 4.24Å; N148-D150 VanDerWaalsContact CG-CG 3.47Å; N148-D150 PolarHBondContact ND2-OD2 2.9Å; N148-D150 PolarHBondContact O-N 3.08Å; N148-D150 PolarHBondContact OD1-N 3.19Å; N148-D150 PolarHBondContact OD1-OD1 2.82Å; N148-D150 PolarHBondContact OD1-OD2 3.33Å; D150-V152 PolarHBondContact O-N 2.94Å; D150-A153 WeakPolarHBondContact O-CB 3.47Å; D150-A153 PolarHBondContact O-N 2.8Å; D150-A153 VanDerWaalsContact O-N 3.13Å; D150-M154 WeakPolarHBondContact O-CG 3.45Å; D150-M154 PolarHBondContact O-N 2.91Å; D150-R176 IonicContact OD1-CZ 3.85Å; D150-R176 IonicContact OD1-NH2 2.75Å; D150-R176 PolarHBondContact OD1-NH2 3.5Å; D150-R176 IonicContact OD2-CZ 3.05Å; D150-R176 IonicContact OD2-NH2 2.78Å; D150-R176 PolarHBondContact OD2-NH2 3.37Å |
| 151 | I | 98.3 | Very high | 97.7 | Very high | 3 Ų | 3 | 15.9 Ų | 15.9 | 2% | 0.015 | 9% | 0.093 | C | C | . | . | H | α-helix | trans | -58.3 | -41.3 | 173.8 | -63.4 | -57.8 | 0 | 0 | 0 | 110.2 | A153 M154 I155 A174 R176 V201 | I151-A153 VanDerWaalsContact C-N 3.33Å; I151-A153 PolarHBondContact O-N 3.4Å; I151-M154 HydrophobicContact CD1-SD 4.38Å; I151-M154 PolarHBondContact O-N 3.34Å; I151-I155 HydrophobicContact CG2-CD1 3.91Å; I151-I155 HydrophobicContact CG2-CG1 4.42Å; I151-I155 VanDerWaalsContact O-CG1 3.27Å; I151-I155 WeakPolarHBondContact O-CG1 3.41Å; I151-I155 PolarHBondContact O-N 3.09Å; I151-A174 HydrophobicContact CD1-CB 4.32Å; I151-R176 HydrophobicContact CD1-CB 4.15Å; I151-R176 HydrophobicContact CG1-CB 3.98Å; I151-V201 HydrophobicContact CD1-CG1 3.83Å; I151-V201 HydrophobicContact CD1-CG2 4.19Å |
| 152 | V | 98.7 | Very high | 97.7 | Very high | 1 Ų | 1 | 15.1 Ų | 15.1 | 1% | 0.006 | 9% | 0.089 | C | C | . | . | H | α-helix | trans | -59.5 | -45.4 | 177.3 | -169.1 | 0 | 0 | 0 | 0 | 110.3 | V56 M58 T61 V63 V147 P149 D150 I155 G156 | V56-V152 HydrophobicContact CB-CG1 4.35Å; V56-V152 HydrophobicContact CG1-CG1 3.95Å; V56-V152 WeakPolarHBondContact CG1-O 3.45Å; V56-V152 HydrophobicContact CG2-CG1 3.78Å; M58-V152 HydrophobicContact CB-CG2 3.67Å; M58-V152 HydrophobicContact CE-CG2 3.98Å; T61-V152 HydrophobicContact CG2-CG2 4.08Å; V63-V152 HydrophobicContact CB-CG1 4.24Å; V63-V152 HydrophobicContact CG2-CB 3.95Å; V63-V152 HydrophobicContact CG2-CG1 3.81Å; V147-V152 HydrophobicContact CG1-CG2 4.48Å; P149-V152 WeakPolarHBondContact O-CB 3.45Å; P149-V152 PolarHBondContact O-N 3.26Å; D150-V152 PolarHBondContact O-N 2.94Å; V152-I155 PolarHBondContact O-N 3.3Å; V152-G156 PolarHBondContact O-N 3.06Å |
| 153 | A | 98.8 | Very high | 97.7 | Very high | 0 Ų | 0 | 13.1 Ų | 13.1 | 0% | 0 | 8% | 0.075 | C | C | . | . | H | α-helix | trans | -65.2 | -39.9 | 177.6 | 0 | 0 | 0 | 0 | 0 | 112.8 | V63 Y86 I118 A138 P149 D150 I151 G156 A157 | V63-A153 HydrophobicContact CG1-CB 3.97Å; V63-A153 HydrophobicContact CG2-CB 4.39Å; Y86-A153 HydrophobicContact CD2-CB 3.85Å; Y86-A153 HydrophobicContact CE2-CB 3.95Å; I118-A153 HydrophobicContact CD1-CB 3.77Å; A138-A153 HydrophobicContact CB-CB 4.05Å; P149-A153 WeakPolarHBondContact O-CB 3.47Å; P149-A153 PolarHBondContact O-N 3.22Å; D150-A153 WeakPolarHBondContact O-CB 3.47Å; D150-A153 PolarHBondContact O-N 2.8Å; D150-A153 VanDerWaalsContact O-N 3.13Å; I151-A153 VanDerWaalsContact C-N 3.33Å; I151-A153 PolarHBondContact O-N 3.4Å; A153-G156 PolarHBondContact O-N 3.11Å; A153-A157 WeakPolarHBondContact O-CB 3.13Å; A153-A157 PolarHBondContact O-N 2.8Å |
| 154 | M | 98.8 | Very high | 97.8 | Very high | 1 Ų | 1 | 12.4 Ų | 12.4 | 1% | 0.005 | 7% | 0.07 | C | C | . | . | H | α-helix | trans | -62.6 | -45.5 | 175.7 | -67.8 | 179.3 | 76.4 | 0 | 0 | 111.7 | L117 I118 P121 D150 I151 G156 A157 S158 A174 V201 A203 M211 | L117-M154 HydrophobicContact CD2-SD 3.97Å; L117-M154 HydrophobicContact CG-CE 4.45Å; L117-M154 HydrophobicContact CG-SD 3.87Å; I118-M154 HydrophobicContact CG1-CG 3.73Å; P121-M154 HydrophobicContact CG-CE 3.79Å; D150-M154 WeakPolarHBondContact O-CG 3.45Å; D150-M154 PolarHBondContact O-N 2.91Å; I151-M154 HydrophobicContact CD1-SD 4.38Å; I151-M154 PolarHBondContact O-N 3.34Å; M154-G156 VanDerWaalsContact C-N 3.34Å; M154-G156 PolarHBondContact O-N 3.29Å; M154-A157 PolarHBondContact O-N 3.21Å; M154-S158 WeakPolarHBondContact O-CB 3.31Å; M154-S158 PolarHBondContact O-N 2.9Å; M154-A174 HydrophobicContact CB-CB 3.82Å; M154-A174 HydrophobicContact CE-CB 3.91Å; M154-A174 HydrophobicContact SD-CB 3.98Å; M154-V201 HydrophobicContact SD-CG1 4.06Å; M154-A203 HydrophobicContact CE-CB 3.55Å; M154-M211 HydrophobicContact CE-CE 3.61Å |
| 155 | I | 98.8 | Very high | 97.8 | Very high | 1 Ų | 1 | 10.5 Ų | 10.5 | 1% | 0.005 | 6% | 0.062 | C | C | . | . | H | α-helix | trans | -60.2 | -45.7 | 175 | -65.5 | 172.5 | 0 | 0 | 0 | 110.3 | Y34 L41 V56 I151 V152 A157 S158 A159 V238 | Y34-I155 HydrophobicContact CD1-CD1 4.36Å; Y34-I155 HydrophobicContact CE1-CD1 4.2Å; L41-I155 HydrophobicContact CD2-CG2 3.84Å; V56-I155 HydrophobicContact CG2-CB 4.47Å; V56-I155 HydrophobicContact CG2-CG2 4.12Å; I151-I155 HydrophobicContact CG2-CD1 3.91Å; I151-I155 HydrophobicContact CG2-CG1 4.42Å; I151-I155 VanDerWaalsContact O-CG1 3.27Å; I151-I155 WeakPolarHBondContact O-CG1 3.41Å; I151-I155 PolarHBondContact O-N 3.09Å; V152-I155 PolarHBondContact O-N 3.3Å; I155-A157 PolarHBondContact O-N 3.47Å; I155-S158 WeakPolarHBondContact O-CB 3.46Å; I155-S158 PolarHBondContact O-N 2.92Å; I155-A159 WeakPolarHBondContact O-CB 3.2Å; I155-A159 PolarHBondContact O-N 3.02Å; I155-V238 HydrophobicContact CB-CG1 4.42Å; I155-V238 HydrophobicContact CD1-CG1 4.37Å; I155-V238 HydrophobicContact CD1-CG2 3.95Å; I155-V238 HydrophobicContact CG1-CG1 3.94Å; I155-V238 HydrophobicContact CG1-CG2 4.34Å; I155-V238 HydrophobicContact CG2-CG1 3.87Å |
| 156 | G | 98.8 | Very high | 98 | Very high | 0 Ų | 0 | 7.2 Ų | 7.2 | 0% | 0 | 4% | 0.04 | C | C | . | . | H | α-helix | trans | -62.7 | -40.4 | 178.3 | 0 | 0 | 0 | 0 | 0 | 113.5 | V152 A153 M154 A159 A160 | V152-G156 PolarHBondContact O-N 3.06Å; A153-G156 PolarHBondContact O-N 3.11Å; M154-G156 VanDerWaalsContact C-N 3.34Å; M154-G156 PolarHBondContact O-N 3.29Å; G156-A159 PolarHBondContact O-N 3.35Å; G156-A160 VanDerWaalsContact O-CB 3.26Å; G156-A160 WeakPolarHBondContact O-CB 3.3Å; G156-A160 PolarHBondContact O-N 3.19Å |
| 157 | A | 98.9 | Very high | 98.1 | Very high | 1 Ų | 1 | 4.5 Ų | 4.5 | 1% | 0.008 | 3% | 0.028 | C | C | . | . | H | α-helix | trans | -64.2 | -45.7 | 175.5 | 0 | 0 | 0 | 0 | 0 | 111.6 | V65 I118 V136 A153 M154 I155 A159 A160 L161 | V65-A157 HydrophobicContact CG1-CB 4.3Å; I118-A157 HydrophobicContact CG2-CB 3.59Å; V136-A157 HydrophobicContact CG1-CB 4.04Å; A153-A157 WeakPolarHBondContact O-CB 3.13Å; A153-A157 PolarHBondContact O-N 2.8Å; M154-A157 PolarHBondContact O-N 3.21Å; I155-A157 PolarHBondContact O-N 3.47Å; A157-A159 PolarHBondContact O-N 3.21Å; A157-A160 PolarHBondContact O-N 2.97Å; A157-L161 WeakPolarHBondContact O-CB 3.49Å; A157-L161 WeakPolarHBondContact O-CG 3.45Å; A157-L161 PolarHBondContact O-N 2.88Å |
| 158 | S | 98.8 | Very high | 98.1 | Very high | 0 Ų | 0 | 4.7 Ų | 4.7 | 0% | 0 | 3% | 0.028 | C | C | . | . | H | α-helix | trans | -56.5 | -49.2 | 174.4 | -175.7 | 0 | 0 | 0 | 0 | 111.9 | M154 I155 S162 P171 I172 I242 | M154-S158 WeakPolarHBondContact O-CB 3.31Å; M154-S158 PolarHBondContact O-N 2.9Å; I155-S158 WeakPolarHBondContact O-CB 3.46Å; I155-S158 PolarHBondContact O-N 2.92Å; S158-S162 WeakPolarHBondContact O-CB 3.37Å; S158-S162 PolarHBondContact O-N 3.4Å; S158-S162 PolarHBondContact O-OG 3.06Å; S158-P171 VanDerWaalsContact OG-CB 3.32Å; S158-P171 WeakPolarHBondContact OG-CB 3.25Å; S158-I172 WeakPolarHBondContact CB-O 3.48Å; S158-I172 WeakPolarHBondContact OG-CG1 3.23Å; S158-I172 PolarHBondContact OG-N 2.88Å; S158-I172 PolarHBondContact OG-O 2.65Å; S158-I242 WeakPolarHBondContact OG-CD1 3.29Å |
| 159 | A | 98.8 | Very high | 98.1 | Very high | 0 Ų | 0 | 6.1 Ų | 6.1 | 0% | 0 | 4% | 0.036 | C | C | . | . | H | α-helix | trans | -65 | -46.6 | 179.7 | 0 | 0 | 0 | 0 | 0 | 112.2 | L41 V54 I155 G156 A157 S162 L163 I242 | L41-A159 HydrophobicContact CD1-CB 4.41Å; V54-A159 HydrophobicContact CG1-CB 4.33Å; V54-A159 HydrophobicContact CG2-CB 4.07Å; I155-A159 WeakPolarHBondContact O-CB 3.2Å; I155-A159 PolarHBondContact O-N 3.02Å; G156-A159 PolarHBondContact O-N 3.35Å; A157-A159 PolarHBondContact O-N 3.21Å; A159-S162 PolarHBondContact O-N 3.3Å; A159-L163 WeakPolarHBondContact O-CB 3.33Å; A159-L163 VanDerWaalsContact O-CG 3.29Å; A159-L163 WeakPolarHBondContact O-CG 3.37Å; A159-L163 PolarHBondContact O-N 2.96Å; A159-I242 HydrophobicContact CB-CD1 4.12Å; A159-I242 HydrophobicContact CB-CG1 4.05Å; A159-I242 HydrophobicContact CB-CG2 4.35Å |
| 160 | A | 98.8 | Very high | 98 | Very high | 0 Ų | 0 | 7.4 Ų | 7.4 | 0% | 0 | 5% | 0.05 | C | C | . | . | H | α-helix | trans | -65.5 | -42.1 | -179.2 | 0 | 0 | 0 | 0 | 0 | 111.9 | A52 V54 V65 V67 G156 A157 L163 S164 | A52-A160 WeakPolarHBondContact CB-O 3.43Å; V54-A160 HydrophobicContact CB-CB 4.43Å; V54-A160 HydrophobicContact CG2-CB 4.01Å; V65-A160 HydrophobicContact CG1-CB 4.26Å; V67-A160 HydrophobicContact CB-CB 4.47Å; V67-A160 HydrophobicContact CG2-CB 3.59Å; G156-A160 VanDerWaalsContact O-CB 3.26Å; G156-A160 WeakPolarHBondContact O-CB 3.3Å; G156-A160 PolarHBondContact O-N 3.19Å; A157-A160 PolarHBondContact O-N 2.97Å; A160-L163 PolarHBondContact O-N 2.79Å; A160-S164 WeakPolarHBondContact O-CB 3.09Å; A160-S164 PolarHBondContact O-N 3.05Å; A160-S164 VanDerWaalsContact O-N 3.16Å |
| 161 | L | 98.8 | Very high | 98 | Very high | 1 Ų | 1 | 7.4 Ų | 7.4 | 1% | 0.005 | 5% | 0.05 | C | C | . | . | H | α-helix | trans | -61.9 | -45.3 | 174.6 | -78.4 | 167.2 | 0 | 0 | 0 | 111.2 | V67 I122 F126 V134 V136 A157 L163 S164 F168 | V67-L161 HydrophobicContact CG1-CD2 3.85Å; V67-L161 HydrophobicContact CG2-CD2 4.03Å; V67-L161 HydrophobicContact CG2-CG 3.96Å; I122-L161 HydrophobicContact CB-CD1 4.06Å; I122-L161 HydrophobicContact CD1-CD1 3.76Å; I122-L161 HydrophobicContact CG1-CD1 4.47Å; I122-L161 HydrophobicContact CG2-CD1 4.1Å; F126-L161 HydrophobicContact CE1-CD2 4.47Å; F126-L161 HydrophobicContact CZ-CD1 4.39Å; F126-L161 HydrophobicContact CZ-CD2 3.82Å; V134-L161 HydrophobicContact CG1-CD2 4.24Å; V136-L161 HydrophobicContact CG2-CD1 4.46Å; V136-L161 HydrophobicContact CG2-CD2 4.34Å; V136-L161 HydrophobicContact CG2-CG 4.5Å; A157-L161 WeakPolarHBondContact O-CB 3.49Å; A157-L161 WeakPolarHBondContact O-CG 3.45Å; A157-L161 PolarHBondContact O-N 2.88Å; L161-L163 VanDerWaalsContact C-N 3.3Å; L161-L163 PolarHBondContact O-N 3.34Å; L161-S164 WeakPolarHBondContact O-CB 3.3Å; L161-S164 PolarHBondContact O-N 2.78Å; L161-S164 VanDerWaalsContact O-N 3.11Å; L161-S164 PolarHBondContact O-OG 3.16Å; L161-F168 HydrophobicContact CB-CD1 3.65Å; L161-F168 HydrophobicContact CB-CE1 3.76Å; L161-F168 HydrophobicContact CB-CG 4.11Å; L161-F168 HydrophobicContact CB-CZ 4.32Å; L161-F168 HydrophobicContact CD1-CD2 4.4Å; L161-F168 HydrophobicContact CD1-CE1 4.35Å; L161-F168 HydrophobicContact CD1-CE2 4.08Å; L161-F168 HydrophobicContact CD1-CZ 4.06Å |
| 162 | S | 98.6 | Very high | 98 | Very high | 22 Ų | 22 | 7.3 Ų | 7.3 | 15% | 0.154 | 5% | 0.05 | C | C | . | . | H | α-helix | trans | -65.3 | -31.9 | -179.7 | -53 | 0 | 0 | 0 | 0 | 112.9 | S158 A159 P171 | S158-S162 WeakPolarHBondContact O-CB 3.37Å; S158-S162 PolarHBondContact O-N 3.4Å; S158-S162 PolarHBondContact O-OG 3.06Å; A159-S162 PolarHBondContact O-N 3.3Å; S162-P171 WeakPolarHBondContact OG-CB 3.43Å |
| 163 | L | 98.5 | Very high | 98 | Very high | 4 Ų | 4 | 7.3 Ų | 7.3 | 2% | 0.021 | 5% | 0.049 | C | C | . | . | H | α-helix | trans | -76.5 | -20.5 | 174.8 | -73.9 | 170.1 | 0 | 0 | 0 | 114.1 | T43 A52 V54 A159 A160 L161 G165 L245 V246 A249 K251 | T43-L163 HydrophobicContact CG2-CD1 4.08Å; A52-L163 HydrophobicContact CB-CB 4.1Å; V54-L163 HydrophobicContact CG2-CD1 3.53Å; A159-L163 WeakPolarHBondContact O-CB 3.33Å; A159-L163 VanDerWaalsContact O-CG 3.29Å; A159-L163 WeakPolarHBondContact O-CG 3.37Å; A159-L163 PolarHBondContact O-N 2.96Å; A160-L163 PolarHBondContact O-N 2.79Å; L161-L163 VanDerWaalsContact C-N 3.3Å; L161-L163 PolarHBondContact O-N 3.34Å; L163-G165 VanDerWaalsContact C-N 3.31Å; L163-G165 PolarHBondContact O-N 2.8Å; L163-L245 HydrophobicContact CD1-CD2 4.03Å; L163-L245 HydrophobicContact CD1-CG 4.39Å; L163-L245 HydrophobicContact CD2-CG 4.31Å; L163-V246 HydrophobicContact CD2-CG2 4.11Å; L163-V246 HydrophobicContact CG-CG2 4.34Å; L163-A249 HydrophobicContact CD2-CB 3.84Å; L163-K251 WeakPolarHBondContact O-CB 3.48Å; L163-K251 WeakPolarHBondContact O-CG 3.38Å; L163-K251 PolarHBondContact O-N 2.75Å |
| 164 | S | 98.2 | Very high | 98 | Very high | 1 Ų | 1 | 7.3 Ų | 7.3 | 1% | 0.007 | 5% | 0.049 | C | C | . | . | S | Bend | trans | -72.2 | -22.4 | -167.5 | 74.5 | 0 | 0 | 0 | 0 | 114.6 | T51 A160 L161 I166 | T51-S164 WeakPolarHBondContact CG2-O 3.2Å; A160-S164 WeakPolarHBondContact O-CB 3.09Å; A160-S164 PolarHBondContact O-N 3.05Å; A160-S164 VanDerWaalsContact O-N 3.16Å; L161-S164 WeakPolarHBondContact O-CB 3.3Å; L161-S164 PolarHBondContact O-N 2.78Å; L161-S164 VanDerWaalsContact O-N 3.11Å; L161-S164 PolarHBondContact O-OG 3.16Å; S164-I166 PolarHBondContact O-N 3.32Å; S164-I166 VanDerWaalsContact OG-CB 3.27Å; S164-I166 WeakPolarHBondContact OG-CB 3.18Å; S164-I166 WeakPolarHBondContact OG-CD1 3.48Å; S164-I166 VanDerWaalsContact OG-CG1 3.24Å; S164-I166 WeakPolarHBondContact OG-CG1 3.22Å; S164-I166 PolarHBondContact OG-N 2.68Å |
| 165 | G | 97.1 | Very high | 98 | Very high | 7 Ų | 7 | 7.2 Ų | 7.2 | 7% | 0.072 | 5% | 0.049 | C | C | . | . | trans | 74.4 | -0.8 | -168.9 | 0 | 0 | 0 | 0 | 0 | 114 | L163 R253 W254 | L163-G165 VanDerWaalsContact C-N 3.31Å; L163-G165 PolarHBondContact O-N 2.8Å; G165-R253 CarbonylContact O-C 3.57Å; G165-R253 VanDerWaalsContact O-CA 3.31Å; G165-R253 WeakPolarHBondContact O-CA 3.31Å; G165-W254 PolarHBondContact O-N 2.95Å | ||
| 166 | I | 98.2 | Very high | 98 | Very high | 4 Ų | 4 | 8 Ų | 8 | 2% | 0.021 | 5% | 0.052 | C | C | . | . | S | Bend | trans | -59.8 | 144.6 | 171.5 | -64 | 169.8 | 0 | 0 | 0 | 108.8 | T51 V67 F126 F130 V134 S164 F168 W254 | T51-I166 HydrophobicContact CG2-CD1 4.2Å; T51-I166 HydrophobicContact CG2-CG1 4.19Å; V67-I166 HydrophobicContact CG1-CD1 3.59Å; F126-I166 HydrophobicContact CD1-CG2 4.39Å; F126-I166 HydrophobicContact CE1-CG2 3.82Å; F130-I166 HydrophobicContact CE1-CG2 3.97Å; F130-I166 HydrophobicContact CZ-CG2 3.68Å; V134-I166 HydrophobicContact CG1-CD1 4.3Å; V134-I166 HydrophobicContact CG2-CD1 4.25Å; V134-I166 HydrophobicContact CG2-CG2 4.28Å; S164-I166 PolarHBondContact O-N 3.32Å; S164-I166 VanDerWaalsContact OG-CB 3.27Å; S164-I166 WeakPolarHBondContact OG-CB 3.18Å; S164-I166 WeakPolarHBondContact OG-CD1 3.48Å; S164-I166 VanDerWaalsContact OG-CG1 3.24Å; S164-I166 WeakPolarHBondContact OG-CG1 3.22Å; S164-I166 PolarHBondContact OG-N 2.68Å; I166-F168 VanDerWaalsContact C-N 3.27Å; I166-F168 PolarHBondContact O-N 2.98Å; I166-W254 HydrophobicContact CD1-CH2 4.33Å; I166-W254 HydrophobicContact CD1-CZ2 4.23Å; I166-W254 HydrophobicContact CG1-CD2 4.33Å; I166-W254 HydrophobicContact CG1-CH2 3.74Å; I166-W254 HydrophobicContact CG1-CZ2 3.45Å; I166-W254 VanDerWaalsContact CG1-CZ2 3.45Å; I166-W254 HydrophobicContact CG1-CZ3 4.27Å |
| 167 | P | 96.2 | Very high | 98 | Very high | 3 Ų | 3 | 8 Ų | 8 | 2% | 0.019 | 5% | 0.052 | C | C | . | . | S | Bend | trans | -59.9 | 88.1 | 171.8 | -22.9 | 35.1 | 0 | 0 | 0 | 111.5 | F126 P127 F130 W254 W256 | F126-P167 WeakPolarHBondContact CD1-O 3.37Å; P127-P167 WeakPolarHBondContact CD-O 3.45Å; P127-P167 HydrophobicContact CG-CB 3.78Å; F130-P167 HydrophobicContact CD2-CB 4.42Å; F130-P167 HydrophobicContact CD2-CG 4.28Å; F130-P167 HydrophobicContact CE2-CB 4.31Å; F130-P167 HydrophobicContact CE2-CG 3.81Å; F130-P167 HydrophobicContact CZ-CG 4.44Å; P167-W254 HydrophobicContact CG-CB 4.42Å; P167-W256 HydrophobicContact CB-CE3 4.41Å; P167-W256 HydrophobicContact CG-CB 3.83Å; P167-W256 HydrophobicContact CG-CD2 4.36Å; P167-W256 HydrophobicContact CG-CE3 4.33Å; P167-W256 HydrophobicContact CG-CG 4.18Å |
| 168 | F | 97.2 | Very high | 98 | Very high | 9 Ų | 9 | 7.9 Ų | 7.9 | 4% | 0.039 | 5% | 0.051 | C | C | . | . | trans | -130.4 | 130.6 | 179.3 | 174.7 | -116.2 | 0 | 0 | 0 | 107.7 | I122 L125 F126 L161 I166 G170 R253 | I122-F168 HydrophobicContact CB-CE2 3.98Å; I122-F168 HydrophobicContact CB-CZ 4.33Å; I122-F168 HydrophobicContact CG2-CE2 4.34Å; I122-F168 HydrophobicContact CG2-CZ 4.18Å; L125-F168 HydrophobicContact CB-CD2 3.93Å; L125-F168 HydrophobicContact CB-CE2 3.61Å; L125-F168 HydrophobicContact CB-CZ 4.43Å; L125-F168 HydrophobicContact CD1-CE2 3.96Å; L125-F168 HydrophobicContact CD1-CZ 4Å; L125-F168 HydrophobicContact CG-CE2 4.42Å; F126-F168 HydrophobicContact CD2-CD2 4.25Å; F126-F168 HydrophobicContact CE1-CB 4.37Å; F126-F168 HydrophobicContact CE1-CD2 4.36Å; F126-F168 AromaticContact CE2-CD2 3.91Å; F126-F168 HydrophobicContact CE2-CD2 3.91Å; F126-F168 HydrophobicContact CE2-CE2 4.29Å; F126-F168 AromaticContact CZ-CD2 3.99Å; F126-F168 HydrophobicContact CZ-CD2 3.99Å; L161-F168 HydrophobicContact CB-CD1 3.65Å; L161-F168 HydrophobicContact CB-CE1 3.76Å; L161-F168 HydrophobicContact CB-CG 4.11Å; L161-F168 HydrophobicContact CB-CZ 4.32Å; L161-F168 HydrophobicContact CD1-CD2 4.4Å; L161-F168 HydrophobicContact CD1-CE1 4.35Å; L161-F168 HydrophobicContact CD1-CE2 4.08Å; L161-F168 HydrophobicContact CD1-CZ 4.06Å; I166-F168 VanDerWaalsContact C-N 3.27Å; I166-F168 PolarHBondContact O-N 2.98Å; F168-G170 VanDerWaalsContact C-N 3.31Å; F168-G170 PolarHBondContact O-N 3.46Å; F168-R253 PolarHBondContact O-NH1 2.83Å | ||
| 169 | N | 95.3 | Very high | 98 | Very high | 60 Ų | 60 | 8.8 Ų | 8.8 | 32% | 0.321 | 6% | 0.055 | S | C | . | . | trans | -98.4 | 38.5 | -176.1 | -62.5 | -11 | 0 | 0 | 0 | 111.4 | L125 R253 | L125-N169 HydrophobicContact CB-CB 4.39Å; L125-N169 WeakPolarHBondContact O-CB 3.49Å; L125-N169 PolarHBondContact O-N 3.47Å; N169-R253 PolarHBondContact OD1-NH2 2.76Å; N169-R253 VanDerWaalsContact OD1-NH2 3.12Å | ||
| 170 | G | 95.1 | Very high | 98 | Very high | 28 Ų | 28 | 10 Ų | 10 | 29% | 0.289 | 6% | 0.061 | S | C | . | . | trans | -93.3 | -157.8 | 169.5 | 0 | 0 | 0 | 0 | 0 | 112.9 | F168 | F168-G170 VanDerWaalsContact C-N 3.31Å; F168-G170 PolarHBondContact O-N 3.46Å | ||
| 171 | P | 98.4 | Very high | 97.8 | Very high | 9 Ų | 9 | 17 Ų | 17 | 6% | 0.058 | 10% | 0.099 | C | C | . | . | P | Polyproline II helix | cis | -74.8 | 160.2 | 4.7 | 29.3 | -33.4 | 0 | 0 | 0 | 113.2 | S158 S162 I239 I242 N243 | S158-P171 VanDerWaalsContact OG-CB 3.32Å; S158-P171 WeakPolarHBondContact OG-CB 3.25Å; S162-P171 WeakPolarHBondContact OG-CB 3.43Å; P171-I239 HydrophobicContact CG-CG2 4.08Å; P171-I242 HydrophobicContact CB-CB 4Å; P171-I242 HydrophobicContact CB-CD1 4.09Å; P171-I242 HydrophobicContact CB-CG2 3.58Å; P171-I242 HydrophobicContact CG-CB 4.06Å; P171-I242 HydrophobicContact CG-CG2 3.86Å; P171-N243 WeakPolarHBondContact CD-OD1 3.5Å; P171-N243 WeakPolarHBondContact CG-OD1 3.4Å |
| 172 | I | 98.2 | Very high | 97.7 | Very high | 2 Ų | 2 | 22.5 Ų | 22.5 | 1% | 0.01 | 13% | 0.128 | C | C | . | . | P | Polyproline II helix | trans | -94.8 | 149.3 | 163.2 | 64.3 | 170.1 | 0 | 0 | 0 | 110.7 | P121 I122 L125 S158 G204 L210 | P121-I172 HydrophobicContact CB-CD1 3.77Å; P121-I172 HydrophobicContact CG-CD1 3.6Å; I122-I172 HydrophobicContact CG2-CD1 3.63Å; I122-I172 HydrophobicContact CG2-CG1 4.34Å; L125-I172 HydrophobicContact CD1-CG2 3.29Å; S158-I172 WeakPolarHBondContact CB-O 3.48Å; S158-I172 WeakPolarHBondContact OG-CG1 3.23Å; S158-I172 PolarHBondContact OG-N 2.88Å; S158-I172 PolarHBondContact OG-O 2.65Å; I172-G204 CarbonylContact C-O 3.55Å; I172-G204 VanDerWaalsContact CA-O 3.27Å; I172-G204 WeakPolarHBondContact CA-O 3.4Å; I172-L210 HydrophobicContact CG2-CD1 3.87Å |
| 173 | G | 98.3 | Very high | 97.7 | Very high | 0 Ų | 0 | 28 Ų | 28 | 0% | 0 | 15% | 0.151 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -90.3 | 165.5 | 157.3 | 0 | 0 | 0 | 0 | 0 | 110.7 | A203 G204 Q235 I239 | G173-A203 WeakPolarHBondContact O-CA 3.32Å; G173-A203 WeakPolarHBondContact O-CB 3.35Å; G173-G204 PolarHBondContact N-O 3.45Å; G173-G204 PolarHBondContact O-N 3.17Å; G173-Q235 PolarHBondContact O-OE1 2.9Å; G173-Q235 VanDerWaalsContact O-OE1 3.04Å; G173-I239 VanDerWaalsContact N-CG1 3.31Å |
| 174 | A | 98.4 | Very high | 97.7 | Very high | 0 Ų | 0 | 31.1 Ų | 31.1 | 0% | 0 | 16% | 0.163 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -146.5 | 137.7 | 168.6 | 0 | 0 | 0 | 0 | 0 | 109.8 | Y34 I151 M154 V202 A203 | Y34-A174 WeakPolarHBondContact CE1-O 2.92Å; Y34-A174 PolarHBondContact OH-O 2.82Å; I151-A174 HydrophobicContact CD1-CB 4.32Å; M154-A174 HydrophobicContact CB-CB 3.82Å; M154-A174 HydrophobicContact CE-CB 3.91Å; M154-A174 HydrophobicContact SD-CB 3.98Å; A174-V202 WeakPolarHBondContact CA-O 3.46Å; A174-A203 HydrophobicContact CB-CB 4.32Å |
| 175 | A | 98.6 | Very high | 97.7 | Very high | 0 Ų | 0 | 32.8 Ų | 32.8 | 0% | 0 | 17% | 0.173 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -134.2 | 142.1 | 177.8 | 0 | 0 | 0 | 0 | 0 | 110.4 | Y34 L186 V201 V202 Q235 | Y34-A175 WeakPolarHBondContact OH-CA 3.06Å; Y34-A175 WeakPolarHBondContact OH-CB 3.4Å; A175-L186 HydrophobicContact CB-CD1 3.74Å; A175-V201 WeakPolarHBondContact O-CA 3.44Å; A175-V202 HydrophobicContact CB-CG1 4.06Å; A175-V202 PolarHBondContact N-O 3.21Å; A175-V202 PolarHBondContact O-N 3Å; A175-Q235 HydrophobicContact CB-CB 4.34Å |
| 176 | R | 98.7 | Very high | 97.8 | Very high | 16 Ų | 16 | 33.1 Ų | 33.1 | 6% | 0.06 | 17% | 0.173 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -98.5 | 134.6 | 159.2 | -177.1 | 171.2 | -64.6 | -144.2 | -0.9 | 109.3 | D150 I151 N187 P188 D199 L200 | D150-R176 IonicContact OD1-CZ 3.85Å; D150-R176 IonicContact OD1-NH2 2.75Å; D150-R176 PolarHBondContact OD1-NH2 3.5Å; D150-R176 IonicContact OD2-CZ 3.05Å; D150-R176 IonicContact OD2-NH2 2.78Å; D150-R176 PolarHBondContact OD2-NH2 3.37Å; I151-R176 HydrophobicContact CD1-CB 4.15Å; I151-R176 HydrophobicContact CG1-CB 3.98Å; R176-N187 PolarHBondContact N-OD1 2.98Å; R176-N187 PolarHBondContact O-N 2.83Å; R176-P188 HydrophobicContact CG-CG 4.48Å; R176-D199 WeakPolarHBondContact CD-OD1 3.47Å; R176-D199 WeakPolarHBondContact CG-OD1 3.47Å; R176-D199 IonicContact CZ-OD1 3.38Å; R176-D199 IonicContact CZ-OD2 2.66Å; R176-D199 IonicContact NE-OD1 2.6Å; R176-D199 PolarHBondContact NE-OD1 3.47Å; R176-D199 IonicContact NH1-OD1 3.12Å; R176-D199 PolarHBondContact NH1-OD1 2.93Å; R176-D199 IonicContact NH1-OD2 3.82Å; R176-D199 PolarHBondContact NH1-OD2 2.89Å; R176-L200 CarbonylContact C-O 3.44Å; R176-L200 VanDerWaalsContact CA-O 3.25Å; R176-L200 WeakPolarHBondContact CA-O 3.33Å |
| 177 | V | 98.8 | Very high | 97.8 | Very high | 0 Ų | 0 | 33.1 Ų | 33.1 | 0% | 0 | 17% | 0.173 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.1 | 121.6 | -178.6 | -175.5 | 0 | 0 | 0 | 0 | 109.3 | Y184 V185 L200 A227 F230 | V177-Y184 HydrophobicContact CG1-CD1 4.18Å; V177-Y184 HydrophobicContact CG1-CG 4.45Å; V177-V185 CarbonylContact C-O 3.5Å; V177-V185 WeakPolarHBondContact CA-O 3.48Å; V177-L200 HydrophobicContact CB-CB 4.48Å; V177-L200 HydrophobicContact CB-CD2 4.34Å; V177-L200 HydrophobicContact CG2-CD2 4.38Å; V177-L200 PolarHBondContact N-O 2.58Å; V177-L200 PolarHBondContact O-N 2.88Å; V177-L200 VanDerWaalsContact O-N 3.07Å; V177-A227 HydrophobicContact CG1-CB 3.97Å; V177-F230 HydrophobicContact CG1-CD1 3.77Å; V177-F230 HydrophobicContact CG1-CE1 4.24Å; V177-F230 HydrophobicContact CG2-CD1 3.98Å; V177-F230 HydrophobicContact CG2-CE1 4.49Å |
| 178 | G | 98.7 | Very high | 97.9 | Very high | 0 Ų | 0 | 33.3 Ų | 33.3 | 0% | 0 | 18% | 0.175 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -94.4 | 165.1 | 167.6 | 0 | 0 | 0 | 0 | 0 | 112.3 | Y184 V185 S196 L198 | G178-Y184 WeakPolarHBondContact O-CA 3.37Å; G178-V185 PolarHBondContact N-O 3.38Å; G178-V185 PolarHBondContact O-N 2.87Å; G178-S196 VanDerWaalsContact CA-OG 3.32Å; G178-S196 WeakPolarHBondContact CA-OG 3.15Å; G178-L198 WeakPolarHBondContact CA-O 3.28Å |
| 179 | Y | 98.7 | Very high | 97.9 | Very high | 19 Ų | 19 | 34.2 Ų | 34.2 | 8% | 0.075 | 18% | 0.181 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.7 | 99.1 | 172.4 | -165.3 | -110.2 | 0 | 0 | 0 | 109.7 | D182 Q183 Y184 S196 K197 L219 Q223 | Y179-D182 VanDerWaalsContact CZ-CA 3.5Å; Y179-D182 WeakPolarHBondContact OH-CA 3.38Å; Y179-D182 PolarHBondContact OH-O 2.8Å; Y179-Q183 WeakPolarHBondContact CA-O 3.45Å; Y179-Y184 AromaticContact CD2-CD1 3.53Å; Y179-Y184 HydrophobicContact CD2-CD1 3.53Å; Y179-Y184 AromaticContact CD2-CE1 3.54Å; Y179-Y184 HydrophobicContact CD2-CE1 3.54Å; Y179-Y184 HydrophobicContact CD2-CG 4.42Å; Y179-Y184 HydrophobicContact CE2-CD1 4.01Å; Y179-Y184 AromaticContact CE2-CE1 3.7Å; Y179-Y184 HydrophobicContact CE2-CE1 3.7Å; Y179-S196 PolarHBondContact N-OG 3.29Å; Y179-K197 HydrophobicContact CD1-CB 4.4Å; Y179-K197 PolarHBondContact O-N 2.82Å; Y179-L219 HydrophobicContact CD1-CD1 4.08Å; Y179-L219 HydrophobicContact CD1-CD2 4Å; Y179-L219 HydrophobicContact CE1-CD2 4.29Å; Y179-L219 HydrophobicContact CG-CD1 4.24Å; Y179-Q223 PolarHBondContact OH-NE2 3.1Å; Y179-Q223 VanDerWaalsContact OH-NE2 3.11Å |
| 180 | I | 98.4 | Very high | 97.8 | Very high | 26 Ų | 26 | 33.4 Ų | 33.4 | 13% | 0.133 | 18% | 0.175 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.9 | 131.7 | -171.6 | -58.1 | 167.9 | 0 | 0 | 0 | 107.5 | D182 Q183 V185 E192 | I180-D182 PolarHBondContact O-N 2.84Å; I180-Q183 PolarHBondContact N-O 3.35Å; I180-Q183 PolarHBondContact O-N 2.79Å; I180-V185 HydrophobicContact CB-CG2 4.21Å; I180-V185 HydrophobicContact CD1-CG2 4.17Å; I180-V185 HydrophobicContact CG1-CG2 4.43Å; I180-E192 HydrophobicContact CD1-CB 3.92Å; I180-E192 WeakPolarHBondContact CD1-O 3.36Å |
| 181 | N | 96.6 | Very high | 97.9 | Very high | 147 Ų | 147 | 35.8 Ų | 35.8 | 79% | 0.786 | 18% | 0.181 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 49.3 | 44.1 | -179.7 | -59 | -37.3 | 0 | 0 | 0 | 113.3 | Q183 | N181-Q183 PolarHBondContact O-N 3.06Š|
| 182 | D | 96.5 | Very high | 97.9 | Very high | 115 Ų | 115 | 38.3 Ų | 38.3 | 62% | 0.615 | 19% | 0.192 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 61.2 | 19.8 | -178.6 | -54.5 | -45.9 | 0 | 0 | 0 | 115.5 | Y179 I180 | Y179-D182 VanDerWaalsContact CZ-CA 3.5Å; Y179-D182 WeakPolarHBondContact OH-CA 3.38Å; Y179-D182 PolarHBondContact OH-O 2.8Å; I180-D182 PolarHBondContact O-N 2.84Å |
| 183 | Q | 98.1 | Very high | 97.8 | Very high | 138 Ų | 138 | 39.4 Ų | 39.4 | 65% | 0.645 | 20% | 0.198 | S | C | * | . | E | Extended strand (participates in β ladder) | trans | -122.3 | 145.7 | 178.4 | -64 | -174.2 | -16.7 | 0 | 0 | 112.3 | Y179 I180 N181 | Y179-Q183 WeakPolarHBondContact CA-O 3.45Å; I180-Q183 PolarHBondContact N-O 3.35Å; I180-Q183 PolarHBondContact O-N 2.79Å; N181-Q183 PolarHBondContact O-N 3.06Å |
| 184 | Y | 98.6 | Very high | 97.6 | Very high | 70 Ų | 70 | 46.4 Ų | 46.4 | 28% | 0.275 | 23% | 0.228 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -75.6 | 130.4 | 169.8 | -54.8 | -59.1 | 0 | 0 | 0 | 110.3 | V177 G178 Y179 Q223 G226 A227 F230 | V177-Y184 HydrophobicContact CG1-CD1 4.18Å; V177-Y184 HydrophobicContact CG1-CG 4.45Å; G178-Y184 WeakPolarHBondContact O-CA 3.37Å; Y179-Y184 AromaticContact CD2-CD1 3.53Å; Y179-Y184 HydrophobicContact CD2-CD1 3.53Å; Y179-Y184 AromaticContact CD2-CE1 3.54Å; Y179-Y184 HydrophobicContact CD2-CE1 3.54Å; Y179-Y184 HydrophobicContact CD2-CG 4.42Å; Y179-Y184 HydrophobicContact CE2-CD1 4.01Å; Y179-Y184 AromaticContact CE2-CE1 3.7Å; Y179-Y184 HydrophobicContact CE2-CE1 3.7Å; Y184-Q223 WeakPolarHBondContact CE1-O 3.39Å; Y184-Q223 WeakPolarHBondContact OH-CA 3.36Å; Y184-Q223 PolarHBondContact OH-O 3.25Å; Y184-Q223 VanDerWaalsContact OH-O 3.09Å; Y184-G226 WeakPolarHBondContact OH-CA 3.24Å; Y184-A227 HydrophobicContact CD1-CB 3.85Å; Y184-A227 HydrophobicContact CE1-CB 3.69Å; Y184-F230 HydrophobicContact CD2-CB 4.07Å; Y184-F230 HydrophobicContact CD2-CD2 4.5Å; Y184-F230 HydrophobicContact CD2-CG 4.22Å; Y184-F230 HydrophobicContact CG-CB 4.27Å; Y184-F230 HydrophobicContact CG-CD1 4.32Å; Y184-F230 HydrophobicContact CG-CG 4.19Å |
| 185 | V | 98.3 | Very high | 97.5 | Very high | 35 Ų | 35 | 53.5 Ų | 53.5 | 21% | 0.212 | 26% | 0.262 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.3 | 125 | 179.2 | -179.3 | 0 | 0 | 0 | 0 | 108.9 | V177 G178 I180 P188 | V177-V185 CarbonylContact C-O 3.5Å; V177-V185 WeakPolarHBondContact CA-O 3.48Å; G178-V185 PolarHBondContact N-O 3.38Å; G178-V185 PolarHBondContact O-N 2.87Å; I180-V185 HydrophobicContact CB-CG2 4.21Å; I180-V185 HydrophobicContact CD1-CG2 4.17Å; I180-V185 HydrophobicContact CG1-CG2 4.43Å; V185-P188 HydrophobicContact CG1-CB 4.13Å |
| 186 | L | 98.6 | Very high | 97.5 | Very high | 14 Ų | 14 | 53.9 Ų | 53.9 | 7% | 0.073 | 26% | 0.264 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.6 | 128.5 | -179.9 | 177.9 | 67 | 0 | 0 | 0 | 110.9 | Y34 A175 F230 Q234 | Y34-L186 HydrophobicContact CD2-CD2 3.99Å; Y34-L186 HydrophobicContact CE2-CD1 4.26Å; Y34-L186 HydrophobicContact CE2-CD2 3.78Å; Y34-L186 HydrophobicContact CE2-CG 4.46Å; A175-L186 HydrophobicContact CB-CD1 3.74Å; L186-F230 HydrophobicContact CB-CE1 3.9Å; L186-F230 HydrophobicContact CB-CZ 4.06Å; L186-Q234 HydrophobicContact CD1-CB 3.77Å; L186-Q234 HydrophobicContact CD1-CG 4.26Å; L186-Q234 HydrophobicContact CD2-CB 3.64Å; L186-Q234 HydrophobicContact CD2-CG 3.9Å; L186-Q234 HydrophobicContact CG-CB 4.28Å; L186-Q234 HydrophobicContact CG-CG 4.49Å |
| 187 | N | 98 | Very high | 97.4 | Very high | 4 Ų | 4 | 57.6 Ų | 57.6 | 2% | 0.021 | 28% | 0.281 | C | S | . | . | S | Bend | trans | 44.9 | 62.1 | -179 | -58.5 | -38.3 | 0 | 0 | 0 | 111.5 | Y34 Q36 H37 R176 | Y34-N187 WeakPolarHBondContact CD1-ND2 3.28Å; Y34-N187 WeakPolarHBondContact CE1-ND2 3.37Å; Q36-N187 PolarHBondContact NE2-O 2.91Å; H37-N187 PolarHBondContact CD2-O 3.39Å; H37-N187 PolarHBondContact NE2-O 3.06Å; R176-N187 PolarHBondContact N-OD1 2.98Å; R176-N187 PolarHBondContact O-N 2.83Å |
| 188 | P | 98 | Very high | 97.4 | Very high | 8 Ų | 8 | 57.7 Ų | 57.7 | 5% | 0.052 | 28% | 0.281 | C | S | . | . | trans | -61.1 | 146.9 | 175.6 | 27.3 | -35.7 | 0 | 0 | 0 | 111 | R176 V185 E192 L193 | R176-P188 HydrophobicContact CG-CG 4.48Å; V185-P188 HydrophobicContact CG1-CB 4.13Å; P188-E192 HydrophobicContact CB-CB 3.79Å; P188-L193 HydrophobicContact CB-CD2 4.26Å; P188-L193 HydrophobicContact CB-CG 4.09Å; P188-L193 HydrophobicContact CG-CD1 4.46Å; P188-L193 HydrophobicContact CG-CD2 3.44Å; P188-L193 VanDerWaalsContact CG-CD2 3.44Å; P188-L193 HydrophobicContact CG-CG 3.68Å | ||
| 189 | T | 97.3 | Very high | 97.4 | Very high | 28 Ų | 28 | 59.6 Ų | 59.6 | 17% | 0.172 | 29% | 0.291 | C | S | . | . | trans | -64 | 165.8 | 169.4 | 56.7 | 0 | 0 | 0 | 0 | 111.5 | Q146 D191 E192 L193 | Q146-T189 HydrophobicContact CB-CG2 4.34Å; Q146-T189 CarbonylContact O-C 3.52Å; Q146-T189 VanDerWaalsContact O-CA 3.27Å; Q146-T189 WeakPolarHBondContact O-CA 3.4Å; T189-D191 PolarHBondContact O-N 2.75Å; T189-E192 WeakPolarHBondContact CB-OE2 3.44Å; T189-E192 PolarHBondContact N-OE2 3.18Å; T189-E192 PolarHBondContact O-N 3.39Å; T189-E192 VanDerWaalsContact OG1-CG 3.26Å; T189-E192 WeakPolarHBondContact OG1-CG 3.07Å; T189-E192 PolarHBondContact OG1-N 3.11Å; T189-E192 PolarHBondContact OG1-OE2 3.08Å; T189-L193 WeakPolarHBondContact O-CG 3.26Å; T189-L193 PolarHBondContact O-N 3.27Å | ||
| 190 | Q | 94.7 | Very high | 97.4 | Very high | 43 Ų | 43 | 58.7 Ų | 58.7 | 20% | 0.201 | 29% | 0.288 | C | S | . | . | H | α-helix | trans | -58.9 | -34.8 | 175.2 | -70.2 | -55.8 | -64.1 | 0 | 0 | 112.9 | P145 Q146 K194 M392 | P145-Q190 WeakPolarHBondContact O-CG 3.46Å; Q146-Q190 PolarHBondContact O-N 3.07Å; Q190-K194 WeakPolarHBondContact O-CG 3.42Å; Q190-K194 PolarHBondContact O-N 2.8Å; Q190-M392 HydrophobicContact CG-CE 4.15Å; Q190-M392 HydrophobicContact CG-SD 4.5Å |
| 191 | D | 96.1 | Very high | 97.5 | Very high | 78 Ų | 78 | 57.8 Ų | 57.8 | 42% | 0.417 | 28% | 0.283 | S | S | . | . | H | α-helix | trans | -72.5 | -39.6 | 176.2 | -70.9 | -27.5 | 0 | 0 | 0 | 112.3 | Q146 T189 L193 K194 | Q146-D191 PolarHBondContact NE2-OD2 3.02Å; Q146-D191 PolarHBondContact OE1-OD2 3.02Å; T189-D191 PolarHBondContact O-N 2.75Å; D191-L193 VanDerWaalsContact C-N 3.34Å; D191-L193 PolarHBondContact O-N 3.34Å; D191-K194 WeakPolarHBondContact O-CB 3.37Å; D191-K194 PolarHBondContact O-N 3.23Å; D191-K194 IonicContact OD1-NZ 2.73Å; D191-K194 PolarHBondContact OD1-NZ 3.07Å |
| 192 | E | 97.6 | Very high | 97.5 | Very high | 61 Ų | 61 | 50.8 Ų | 50.8 | 29% | 0.285 | 25% | 0.246 | S | C | . | . | H | α-helix | trans | -64.7 | -36.8 | 173.9 | -71.8 | 167.9 | 132.6 | 0 | 0 | 112.4 | Q36 I180 P188 T189 K194 E195 S196 | Q36-E192 PolarHBondContact NE2-OE2 3.48Å; I180-E192 HydrophobicContact CD1-CB 3.92Å; I180-E192 WeakPolarHBondContact CD1-O 3.36Å; P188-E192 HydrophobicContact CB-CB 3.79Å; T189-E192 WeakPolarHBondContact CB-OE2 3.44Å; T189-E192 PolarHBondContact N-OE2 3.18Å; T189-E192 PolarHBondContact O-N 3.39Å; T189-E192 VanDerWaalsContact OG1-CG 3.26Å; T189-E192 WeakPolarHBondContact OG1-CG 3.07Å; T189-E192 PolarHBondContact OG1-N 3.11Å; T189-E192 PolarHBondContact OG1-OE2 3.08Å; E192-K194 PolarHBondContact O-N 2.75Å; E192-E195 PolarHBondContact O-N 3.14Å; E192-E195 VanDerWaalsContact O-N 3.13Å; E192-S196 PolarHBondContact O-N 3.46Å; E192-S196 VanDerWaalsContact O-N 3.17Å |
| 193 | L | 96.2 | Very high | 97.6 | Very high | 25 Ų | 25 | 45.3 Ų | 45.3 | 13% | 0.131 | 22% | 0.217 | C | C | . | . | H | α-helix | trans | -62.1 | -28.2 | 176.9 | -81 | 172.9 | 0 | 0 | 0 | 113.2 | P188 T189 D191 E195 S196 D199 | P188-L193 HydrophobicContact CB-CD2 4.26Å; P188-L193 HydrophobicContact CB-CG 4.09Å; P188-L193 HydrophobicContact CG-CD1 4.46Å; P188-L193 HydrophobicContact CG-CD2 3.44Å; P188-L193 VanDerWaalsContact CG-CD2 3.44Å; P188-L193 HydrophobicContact CG-CG 3.68Å; T189-L193 WeakPolarHBondContact O-CG 3.26Å; T189-L193 PolarHBondContact O-N 3.27Å; D191-L193 VanDerWaalsContact C-N 3.34Å; D191-L193 PolarHBondContact O-N 3.34Å; L193-E195 VanDerWaalsContact C-N 3.27Å; L193-E195 PolarHBondContact O-N 3.26Å; L193-S196 WeakPolarHBondContact O-CB 3.14Å; L193-S196 PolarHBondContact O-N 2.83Å; L193-D199 HydrophobicContact CD2-CB 4.13Å |
| 194 | K | 94.7 | Very high | 97.5 | Very high | 147 Ų | 147 | 38.7 Ų | 38.7 | 64% | 0.639 | 19% | 0.186 | S | C | * | . | H | α-helix | trans | -66 | -32.1 | 175.9 | -66.6 | 166.9 | -170.8 | 164 | 0 | 112.3 | Q190 D191 E192 | Q190-K194 WeakPolarHBondContact O-CG 3.42Å; Q190-K194 PolarHBondContact O-N 2.8Å; D191-K194 WeakPolarHBondContact O-CB 3.37Å; D191-K194 PolarHBondContact O-N 3.23Å; D191-K194 IonicContact OD1-NZ 2.73Å; D191-K194 PolarHBondContact OD1-NZ 3.07Å; E192-K194 PolarHBondContact O-N 2.75Å |
| 195 | E | 96.3 | Very high | 97.4 | Very high | 150 Ų | 150 | 36.3 Ų | 36.3 | 70% | 0.701 | 18% | 0.178 | S | C | * | . | H | α-helix | trans | -89.4 | -7.1 | 177 | -57.8 | -58.6 | 141.2 | 0 | 0 | 112.5 | E192 L193 | E192-E195 PolarHBondContact O-N 3.14Å; E192-E195 VanDerWaalsContact O-N 3.13Å; L193-E195 VanDerWaalsContact C-N 3.27Å; L193-E195 PolarHBondContact O-N 3.26Å |
| 196 | S | 98.3 | Very high | 97.3 | Very high | 8 Ų | 8 | 40.8 Ų | 40.8 | 6% | 0.056 | 20% | 0.197 | C | C | . | . | trans | -81.2 | 138 | -176.2 | -171.9 | 0 | 0 | 0 | 0 | 112.3 | G178 Y179 E192 L193 L198 | G178-S196 VanDerWaalsContact CA-OG 3.32Å; G178-S196 WeakPolarHBondContact CA-OG 3.15Å; Y179-S196 PolarHBondContact N-OG 3.29Å; E192-S196 PolarHBondContact O-N 3.46Å; E192-S196 VanDerWaalsContact O-N 3.17Å; L193-S196 WeakPolarHBondContact O-CB 3.14Å; L193-S196 PolarHBondContact O-N 2.83Å; S196-L198 WeakPolarHBondContact CB-O 3.36Å; S196-L198 PolarHBondContact O-N 3.09Å; S196-L198 PolarHBondContact OG-N 3.13Å; S196-L198 VanDerWaalsContact OG-N 3.13Å; S196-L198 PolarHBondContact OG-O 3.24Å | ||
| 197 | K | 98.2 | Very high | 97 | Very high | 93 Ų | 93 | 44.4 Ų | 44.4 | 40% | 0.404 | 23% | 0.229 | S | C | . | . | S | Bend | trans | -81 | -2.2 | 169.1 | -64.7 | -179.5 | -178 | 171.9 | 0 | 112.9 | Y179 A216 Q217 L219 | Y179-K197 HydrophobicContact CD1-CB 4.4Å; Y179-K197 PolarHBondContact O-N 2.82Å; K197-A216 CarbonylContact O-C 3.49Å; K197-A216 WeakPolarHBondContact O-CA 3.32Å; K197-Q217 HydrophobicContact CB-CB 4.15Å; K197-Q217 HydrophobicContact CG-CB 4.41Å; K197-Q217 PolarHBondContact O-N 2.78Å; K197-L219 HydrophobicContact CB-CD2 4.11Å; K197-L219 HydrophobicContact CD-CD2 4.33Å |
| 198 | L | 98.7 | Very high | 96.7 | Very high | 3 Ų | 3 | 44.9 Ų | 44.9 | 2% | 0.016 | 23% | 0.233 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -144.4 | 135.6 | -176.1 | -175.3 | 62.7 | 0 | 0 | 0 | 111.2 | G178 S196 L200 E215 A216 L219 M224 A227 | G178-L198 WeakPolarHBondContact CA-O 3.28Å; S196-L198 WeakPolarHBondContact CB-O 3.36Å; S196-L198 PolarHBondContact O-N 3.09Å; S196-L198 PolarHBondContact OG-N 3.13Å; S196-L198 VanDerWaalsContact OG-N 3.13Å; S196-L198 PolarHBondContact OG-O 3.24Å; L198-L200 HydrophobicContact CD1-CB 3.87Å; L198-L200 HydrophobicContact CD1-CD1 4.45Å; L198-L200 HydrophobicContact CD2-CB 3.93Å; L198-L200 HydrophobicContact CD2-CD1 4.45Å; L198-L200 HydrophobicContact CG-CB 3.78Å; L198-E215 CarbonylContact C-O 3.6Å; L198-E215 WeakPolarHBondContact CA-O 3.46Å; L198-A216 HydrophobicContact CD1-CB 3.74Å; L198-L219 HydrophobicContact CB-CD1 3.91Å; L198-L219 HydrophobicContact CD1-CD1 4.26Å; L198-L219 HydrophobicContact CD2-CD1 4.37Å; L198-L219 HydrophobicContact CG-CD1 4.42Å; L198-M224 HydrophobicContact CD1-CE 3.72Å; L198-M224 HydrophobicContact CD1-SD 3.63Å; L198-A227 HydrophobicContact CD2-CB 3.43Å; L198-A227 VanDerWaalsContact CD2-CB 3.43Å |
| 199 | D | 98.5 | Very high | 96.6 | Very high | 39 Ų | 39 | 44.9 Ų | 44.9 | 21% | 0.209 | 23% | 0.233 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.5 | 98.2 | 158.7 | -176 | 5.1 | 0 | 0 | 0 | 106.8 | R176 L193 S214 E215 | R176-D199 WeakPolarHBondContact CD-OD1 3.47Å; R176-D199 WeakPolarHBondContact CG-OD1 3.47Å; R176-D199 IonicContact CZ-OD1 3.38Å; R176-D199 IonicContact CZ-OD2 2.66Å; R176-D199 IonicContact NE-OD1 2.6Å; R176-D199 PolarHBondContact NE-OD1 3.47Å; R176-D199 IonicContact NH1-OD1 3.12Å; R176-D199 PolarHBondContact NH1-OD1 2.93Å; R176-D199 IonicContact NH1-OD2 3.82Å; R176-D199 PolarHBondContact NH1-OD2 2.89Å; L193-D199 HydrophobicContact CD2-CB 4.13Å; D199-S214 CarbonylContact O-C 3.56Å; D199-S214 WeakPolarHBondContact O-CA 3.48Å; D199-E215 PolarHBondContact N-O 2.71Å; D199-E215 PolarHBondContact O-N 3.31Å |
| 200 | L | 98.6 | Very high | 96.5 | Very high | 0 Ų | 0 | 43.6 Ų | 43.6 | 0% | 0 | 23% | 0.226 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.7 | 123.4 | -178.2 | -178.9 | 147.4 | 0 | 0 | 0 | 110.2 | R176 V177 L198 V202 V212 M224 A227 V228 | R176-L200 CarbonylContact C-O 3.44Å; R176-L200 VanDerWaalsContact CA-O 3.25Å; R176-L200 WeakPolarHBondContact CA-O 3.33Å; V177-L200 HydrophobicContact CB-CB 4.48Å; V177-L200 HydrophobicContact CB-CD2 4.34Å; V177-L200 HydrophobicContact CG2-CD2 4.38Å; V177-L200 PolarHBondContact N-O 2.58Å; V177-L200 PolarHBondContact O-N 2.88Å; V177-L200 VanDerWaalsContact O-N 3.07Å; L198-L200 HydrophobicContact CD1-CB 3.87Å; L198-L200 HydrophobicContact CD1-CD1 4.45Å; L198-L200 HydrophobicContact CD2-CB 3.93Å; L198-L200 HydrophobicContact CD2-CD1 4.45Å; L198-L200 HydrophobicContact CG-CB 3.78Å; L200-V202 HydrophobicContact CD2-CB 3.88Å; L200-V202 HydrophobicContact CD2-CG1 3.98Å; L200-V212 HydrophobicContact CD1-CG1 4.02Å; L200-V212 HydrophobicContact CD2-CG1 4.49Å; L200-V212 HydrophobicContact CG-CG1 4.15Å; L200-M224 HydrophobicContact CD1-CE 4.08Å; L200-A227 HydrophobicContact CD1-CB 4.19Å; L200-V228 HydrophobicContact CD1-CG2 3.82Å; L200-V228 HydrophobicContact CD2-CG2 4.34Å |
| 201 | V | 98.7 | Very high | 96.6 | Very high | 7 Ų | 7 | 41.6 Ų | 41.6 | 4% | 0.042 | 22% | 0.216 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -99.9 | 128.6 | 166.9 | 178.3 | 0 | 0 | 0 | 0 | 108.8 | L117 I151 M154 A175 M211 V212 E213 | L117-V201 HydrophobicContact CD1-CB 4.4Å; L117-V201 HydrophobicContact CD1-CG1 4.14Å; L117-V201 HydrophobicContact CD2-CG1 4.22Å; L117-V201 HydrophobicContact CD2-CG2 4.49Å; L117-V201 HydrophobicContact CG-CG1 4.42Å; I151-V201 HydrophobicContact CD1-CG1 3.83Å; I151-V201 HydrophobicContact CD1-CG2 4.19Å; M154-V201 HydrophobicContact SD-CG1 4.06Å; A175-V201 WeakPolarHBondContact O-CA 3.44Å; V201-M211 HydrophobicContact CG1-CE 4.45Å; V201-V212 CarbonylContact O-C 3.38Å; V201-V212 WeakPolarHBondContact O-CA 3.26Å; V201-E213 PolarHBondContact N-O 3.29Å; V201-E213 PolarHBondContact O-N 3.47Å |
| 202 | V | 98.2 | Very high | 96.6 | Very high | 0 Ų | 0 | 37.9 Ų | 37.9 | 0% | 0 | 20% | 0.196 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.6 | 141.1 | 172.3 | 56.5 | 0 | 0 | 0 | 0 | 109.3 | A174 A175 L200 V209 M211 V212 V228 Q235 | A174-V202 WeakPolarHBondContact CA-O 3.46Å; A175-V202 HydrophobicContact CB-CG1 4.06Å; A175-V202 PolarHBondContact N-O 3.21Å; A175-V202 PolarHBondContact O-N 3Å; L200-V202 HydrophobicContact CD2-CB 3.88Å; L200-V202 HydrophobicContact CD2-CG1 3.98Å; V202-V209 HydrophobicContact CG2-CG1 3.82Å; V202-V209 HydrophobicContact CG2-CG2 4.23Å; V202-M211 WeakPolarHBondContact CA-O 3.34Å; V202-V212 HydrophobicContact CB-CG2 4.27Å; V202-V212 HydrophobicContact CG2-CG2 3.98Å; V202-V228 HydrophobicContact CG2-CG1 4.09Å; V202-Q235 PolarHBondContact O-OE1 3Å |
| 203 | A | 98 | Very high | 96.6 | Very high | 0 Ų | 0 | 35.9 Ų | 35.9 | 0% | 0 | 19% | 0.187 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -138.7 | 146.9 | 172.9 | 0 | 0 | 0 | 0 | 0 | 110.7 | P121 M154 G173 A174 L210 M211 | P121-A203 HydrophobicContact CB-CB 3.78Å; P121-A203 HydrophobicContact CG-CB 3.92Å; M154-A203 HydrophobicContact CE-CB 3.55Å; G173-A203 WeakPolarHBondContact O-CA 3.32Å; G173-A203 WeakPolarHBondContact O-CB 3.35Å; A174-A203 HydrophobicContact CB-CB 4.32Å; A203-L210 PolarHBondContact O-N 3.29Å; A203-M211 HydrophobicContact CB-CE 4.17Å; A203-M211 PolarHBondContact N-O 2.91Å; A203-M211 PolarHBondContact O-N 2.94Å; A203-M211 VanDerWaalsContact O-N 3.13Å |
| 204 | G | 96.6 | Very high | 96.7 | Very high | 0 Ų | 0 | 34.7 Ų | 34.7 | 0% | 0 | 18% | 0.181 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -172.2 | 171.9 | -176.1 | 0 | 0 | 0 | 0 | 0 | 113 | I172 G173 A208 Q235 | I172-G204 CarbonylContact C-O 3.55Å; I172-G204 VanDerWaalsContact CA-O 3.27Å; I172-G204 WeakPolarHBondContact CA-O 3.4Å; G173-G204 PolarHBondContact N-O 3.45Å; G173-G204 PolarHBondContact O-N 3.17Å; G204-A208 CarbonylContact C-O 3.59Å; G204-A208 WeakPolarHBondContact CA-O 3.44Å; G204-Q235 PolarHBondContact O-NE2 2.88Å |
| 205 | T | 96.3 | Very high | 96.9 | Very high | 19 Ų | 19 | 30 Ų | 30 | 12% | 0.117 | 16% | 0.161 | C | C | . | . | trans | -81.3 | -176.9 | 168.9 | 56.6 | 0 | 0 | 0 | 0 | 110.2 | L125 A207 A208 L210 H232 | L125-T205 HydrophobicContact CD1-CG2 3.92Å; L125-T205 HydrophobicContact CD2-CG2 3.9Å; T205-A207 PolarHBondContact O-N 3.13Å; T205-A208 PolarHBondContact N-O 3.49Å; T205-A208 PolarHBondContact OG1-N 3.28Å; T205-L210 HydrophobicContact CG2-CD1 4.03Å; T205-H232 PolarHBondContact O-NE2 3.32Å | ||
| 206 | E | 95.5 | Very high | 97 | Very high | 130 Ų | 130 | 23.1 Ų | 23.1 | 61% | 0.607 | 13% | 0.13 | S | C | * | . | S | Bend | trans | -57.2 | -40.8 | 173.2 | -178.2 | 170.9 | -166.3 | 0 | 0 | 111.7 | H232 I239 | E206-H232 PolarHBondContact O-CE1 2.83Å; E206-I239 HydrophobicContact CB-CG2 4.42Å |
| 207 | A | 91.8 | Very high | 96.9 | Very high | 90 Ų | 90 | 28.3 Ų | 28.3 | 74% | 0.744 | 15% | 0.153 | S | C | * | . | S | Bend | trans | -85.5 | -30.3 | -173 | 0 | 0 | 0 | 0 | 0 | 114 | T205 | T205-A207 PolarHBondContact O-N 3.13Š|
| 208 | A | 91.9 | Very high | 96.9 | Very high | 13 Ų | 13 | 25.6 Ų | 25.6 | 11% | 0.107 | 14% | 0.143 | C | C | . | . | trans | -153.8 | 159.5 | -164.9 | 0 | 0 | 0 | 0 | 0 | 114.5 | G204 T205 H232 | G204-A208 CarbonylContact C-O 3.59Å; G204-A208 WeakPolarHBondContact CA-O 3.44Å; T205-A208 PolarHBondContact N-O 3.49Å; T205-A208 PolarHBondContact OG1-N 3.28Å; A208-H232 PolarHBondContact O-NE2 3.21Å | ||
| 209 | V | 95.5 | Very high | 96.9 | Very high | 9 Ų | 9 | 25.8 Ų | 25.8 | 6% | 0.055 | 14% | 0.144 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -84.4 | 137.1 | 172.5 | 177.5 | 0 | 0 | 0 | 0 | 109.3 | V202 V212 V228 H232 M530 I532 G536 I537 M542 | V202-V209 HydrophobicContact CG2-CG1 3.82Å; V202-V209 HydrophobicContact CG2-CG2 4.23Å; V209-V212 HydrophobicContact CG1-CG2 3.79Å; V209-V228 HydrophobicContact CG1-CG1 4.32Å; V209-V228 HydrophobicContact CG2-CG1 3.98Å; V209-H232 HydrophobicContact CG2-CB 3.95Å; V209-M530 HydrophobicContact CB-CE 4.45Å; V209-M530 HydrophobicContact CG1-CE 3.6Å; V209-I532 WeakPolarHBondContact O-CD1 3.35Å; V209-G536 WeakPolarHBondContact O-CA 3.2Å; V209-I537 PolarHBondContact N-O 2.69Å; V209-I537 PolarHBondContact O-N 3.02Å; V209-I537 VanDerWaalsContact O-N 3.08Å; V209-M542 HydrophobicContact CB-SD 4.48Å |
| 210 | L | 95.7 | Very high | 96.9 | Very high | 1 Ų | 1 | 25.9 Ų | 25.9 | 1% | 0.005 | 15% | 0.147 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.4 | -34.5 | 179.5 | -75.2 | 164.4 | 0 | 0 | 0 | 112.8 | P121 P124 L125 I172 A203 T205 I532 I534 E535 | P121-L210 HydrophobicContact CB-CB 4.14Å; P121-L210 WeakPolarHBondContact O-CD1 3.48Å; P124-L210 HydrophobicContact CB-CD2 4.48Å; L125-L210 HydrophobicContact CD1-CD1 3.73Å; L125-L210 HydrophobicContact CD2-CD1 3.95Å; L125-L210 HydrophobicContact CD2-CD2 4.32Å; L125-L210 HydrophobicContact CG-CD1 3.9Å; I172-L210 HydrophobicContact CG2-CD1 3.87Å; A203-L210 PolarHBondContact O-N 3.29Å; T205-L210 HydrophobicContact CG2-CD1 4.03Å; L210-I532 PolarHBondContact O-N 2.9Å; L210-I534 WeakPolarHBondContact CD2-O 3.26Å; L210-E535 VanDerWaalsContact CD2-C 3.47Å; L210-E535 VanDerWaalsContact CD2-O 3.31Å; L210-E535 WeakPolarHBondContact CD2-O 3.47Å |
| 211 | M | 96.2 | Very high | 96.9 | Very high | 0 Ų | 0 | 26.4 Ų | 26.4 | 0% | 0 | 15% | 0.15 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -149.7 | 142.1 | -176.9 | 177.8 | -85.8 | -70.8 | 0 | 0 | 110.5 | L117 R120 P121 M154 V201 V202 A203 E213 M530 | L117-M211 HydrophobicContact CD1-CE 3.49Å; L117-M211 VanDerWaalsContact CD1-CE 3.49Å; L117-M211 HydrophobicContact CD1-SD 3.88Å; L117-M211 HydrophobicContact CG-CE 4Å; L117-M211 VanDerWaalsContact O-CE 3.3Å; L117-M211 WeakPolarHBondContact O-CE 3.33Å; R120-M211 HydrophobicContact CB-CB 4.42Å; R120-M211 HydrophobicContact CB-CG 3.94Å; P121-M211 HydrophobicContact CB-CB 4.23Å; P121-M211 HydrophobicContact CG-CE 4.09Å; M154-M211 HydrophobicContact CE-CE 3.61Å; V201-M211 HydrophobicContact CG1-CE 4.45Å; V202-M211 WeakPolarHBondContact CA-O 3.34Å; A203-M211 HydrophobicContact CB-CE 4.17Å; A203-M211 PolarHBondContact N-O 2.91Å; A203-M211 PolarHBondContact O-N 2.94Å; A203-M211 VanDerWaalsContact O-N 3.13Å; M211-E213 HydrophobicContact SD-CB 4.14Å; M211-M530 WeakPolarHBondContact CA-O 3.13Å; M211-M530 WeakPolarHBondContact CG-O 3.25Å |
| 212 | V | 97.7 | Very high | 96.8 | Very high | 0 Ų | 0 | 31.1 Ų | 31.1 | 0% | 0 | 18% | 0.175 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -133.4 | 137.3 | 169.3 | 174.1 | 0 | 0 | 0 | 0 | 108.1 | L200 V201 V202 V209 V228 L528 Q529 M530 M542 | L200-V212 HydrophobicContact CD1-CG1 4.02Å; L200-V212 HydrophobicContact CD2-CG1 4.49Å; L200-V212 HydrophobicContact CG-CG1 4.15Å; V201-V212 CarbonylContact O-C 3.38Å; V201-V212 WeakPolarHBondContact O-CA 3.26Å; V202-V212 HydrophobicContact CB-CG2 4.27Å; V202-V212 HydrophobicContact CG2-CG2 3.98Å; V209-V212 HydrophobicContact CG1-CG2 3.79Å; V212-V228 HydrophobicContact CG1-CG2 3.97Å; V212-V228 HydrophobicContact CG2-CG1 3.89Å; V212-V228 HydrophobicContact CG2-CG2 3.82Å; V212-L528 HydrophobicContact CG1-CB 4.37Å; V212-Q529 CarbonylContact O-C 3.57Å; V212-Q529 VanDerWaalsContact O-CA 3.29Å; V212-Q529 WeakPolarHBondContact O-CA 3.35Å; V212-M530 HydrophobicContact CB-CB 4.17Å; V212-M530 HydrophobicContact CB-CE 4.37Å; V212-M530 HydrophobicContact CG2-CE 3.86Å; V212-M530 PolarHBondContact N-O 3.05Å; V212-M530 PolarHBondContact O-N 3Å; V212-M542 HydrophobicContact CG2-CE 4.22Å |
| 213 | E | 97.8 | Very high | 96.9 | Very high | 19 Ų | 19 | 33.5 Ų | 33.5 | 9% | 0.089 | 19% | 0.186 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -140.3 | 127.4 | 169.9 | -169.9 | 163.6 | 128.3 | 0 | 0 | 108.9 | L117 R120 V201 M211 R432 L528 Q529 | L117-E213 HydrophobicContact CD1-CB 4.16Å; R120-E213 IonicContact CZ-OE2 2.98Å; R120-E213 IonicContact NH1-OE2 3.67Å; R120-E213 PolarHBondContact NH1-OE2 3.22Å; V201-E213 PolarHBondContact N-O 3.29Å; V201-E213 PolarHBondContact O-N 3.47Å; M211-E213 HydrophobicContact SD-CB 4.14Å; E213-R432 VanDerWaalsContact CD-NH1 3.35Å; E213-R432 VanDerWaalsContact CG-NH1 3.33Å; E213-R432 IonicContact OE1-CZ 3.81Å; E213-R432 IonicContact OE1-NH1 3.79Å; E213-R432 PolarHBondContact OE1-NH1 2.93Å; E213-R432 IonicContact OE1-NH2 3.96Å; E213-L528 CarbonylContact C-O 3.48Å; E213-L528 WeakPolarHBondContact CA-O 3.09Å; E213-Q529 PolarHBondContact OE2-NE2 2.82Å; E213-Q529 VanDerWaalsContact OE2-NE2 3.12Å |
| 214 | S | 97.9 | Very high | 96.9 | Very high | 1 Ų | 1 | 33.5 Ų | 33.5 | 1% | 0.007 | 19% | 0.186 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -145.4 | 157.6 | -175.3 | 64.4 | 0 | 0 | 0 | 0 | 115.1 | D199 M224 A527 L528 | D199-S214 CarbonylContact O-C 3.56Å; D199-S214 WeakPolarHBondContact O-CA 3.48Å; S214-M224 VanDerWaalsContact OG-CE 3.26Å; S214-M224 WeakPolarHBondContact OG-CE 3.48Å; S214-A527 WeakPolarHBondContact O-CA 3.43Å; S214-A527 WeakPolarHBondContact O-CB 3.42Å; S214-L528 PolarHBondContact N-O 3.27Å; S214-L528 VanDerWaalsContact OG-CB 3.26Å; S214-L528 WeakPolarHBondContact OG-CB 3.3Å; S214-L528 PolarHBondContact OG-N 3.03Å |
| 215 | E | 98.1 | Very high | 96.9 | Very high | 49 Ų | 49 | 33.7 Ų | 33.7 | 23% | 0.229 | 19% | 0.187 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.7 | 127.3 | 169 | -167.2 | 177.3 | 132.9 | 0 | 0 | 107.4 | L198 D199 R428 R432 L435 | L198-E215 CarbonylContact C-O 3.6Å; L198-E215 WeakPolarHBondContact CA-O 3.46Å; D199-E215 PolarHBondContact N-O 2.71Å; D199-E215 PolarHBondContact O-N 3.31Å; E215-R428 IonicContact OE2-NH2 3.07Å; E215-R428 PolarHBondContact OE2-NH2 2.89Å; E215-R432 HydrophobicContact CB-CB 4.49Å; E215-R432 HydrophobicContact CB-CG 4.18Å; E215-R432 HydrophobicContact CG-CB 4.17Å; E215-R432 HydrophobicContact CG-CG 3.97Å; E215-R432 VanDerWaalsContact OE2-CG 3.29Å; E215-R432 WeakPolarHBondContact OE2-CG 3.26Å; E215-R432 IonicContact OE2-NE 3.38Å; E215-R432 PolarHBondContact OE2-NE 3.32Å; E215-L435 WeakPolarHBondContact OE1-CD2 3.29Å |
| 216 | A | 98.4 | Very high | 97 | Very high | 5 Ų | 5 | 33.8 Ų | 33.8 | 4% | 0.041 | 19% | 0.192 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -140.9 | 148.7 | -171.1 | 0 | 0 | 0 | 0 | 0 | 112.3 | K197 L198 L218 L219 M224 A436 I525 S526 | K197-A216 CarbonylContact O-C 3.49Å; K197-A216 WeakPolarHBondContact O-CA 3.32Å; L198-A216 HydrophobicContact CD1-CB 3.74Å; A216-L218 VanDerWaalsContact C-N 3.29Å; A216-L218 PolarHBondContact O-N 2.81Å; A216-L218 VanDerWaalsContact O-N 3.14Å; A216-L219 HydrophobicContact CB-CD1 4.45Å; A216-L219 HydrophobicContact CB-CG 4.37Å; A216-M224 HydrophobicContact CB-CE 4.14Å; A216-M224 HydrophobicContact CB-SD 3.86Å; A216-A436 VanDerWaalsContact O-CB 3.32Å; A216-A436 WeakPolarHBondContact O-CB 3.29Å; A216-I525 WeakPolarHBondContact CB-O 3.45Å; A216-S526 PolarHBondContact N-O 3.49Å; A216-S526 WeakPolarHBondContact O-CA 3.29Å |
| 217 | Q | 97.4 | Very high | 97.2 | Very high | 117 Ų | 117 | 27.6 Ų | 27.6 | 55% | 0.547 | 16% | 0.163 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -87.6 | 63.9 | 174.3 | -63 | -171.8 | 5 | 0 | 0 | 111.2 | K197 | K197-Q217 HydrophobicContact CB-CB 4.15Å; K197-Q217 HydrophobicContact CG-CB 4.41Å; K197-Q217 PolarHBondContact O-N 2.78Å |
| 218 | L | 98.1 | Very high | 97.5 | Very high | 36 Ų | 36 | 23.4 Ų | 23.4 | 19% | 0.188 | 13% | 0.128 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 55.7 | 53.3 | 176.6 | -56.2 | 176.5 | 0 | 0 | 0 | 113.2 | A216 A436 V437 S521 D523 I525 | A216-L218 VanDerWaalsContact C-N 3.29Å; A216-L218 PolarHBondContact O-N 2.81Å; A216-L218 VanDerWaalsContact O-N 3.14Å; L218-A436 HydrophobicContact CD2-CB 4.41Å; L218-A436 HydrophobicContact CG-CB 4.31Å; L218-V437 HydrophobicContact CD1-CG1 4.17Å; L218-V437 HydrophobicContact CD2-CG1 4.38Å; L218-S521 WeakPolarHBondContact CD2-OG 3.1Å; L218-D523 HydrophobicContact CB-CB 4.46Å; L218-D523 HydrophobicContact CD1-CB 4.34Å; L218-I525 CarbonylContact C-O 3.54Å; L218-I525 WeakPolarHBondContact CA-O 3.35Å; L218-I525 PolarHBondContact N-O 3.43Å |
| 219 | L | 98.5 | Very high | 97.8 | Very high | 7 Ų | 7 | 24.1 Ų | 24.1 | 4% | 0.037 | 13% | 0.131 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -81.9 | 151.7 | 177.7 | -64.4 | -177 | 0 | 0 | 0 | 112 | Y179 K197 L198 A216 Q223 M224 G524 I525 | Y179-L219 HydrophobicContact CD1-CD1 4.08Å; Y179-L219 HydrophobicContact CD1-CD2 4Å; Y179-L219 HydrophobicContact CE1-CD2 4.29Å; Y179-L219 HydrophobicContact CG-CD1 4.24Å; K197-L219 HydrophobicContact CB-CD2 4.11Å; K197-L219 HydrophobicContact CD-CD2 4.33Å; L198-L219 HydrophobicContact CB-CD1 3.91Å; L198-L219 HydrophobicContact CD1-CD1 4.26Å; L198-L219 HydrophobicContact CD2-CD1 4.37Å; L198-L219 HydrophobicContact CG-CD1 4.42Å; A216-L219 HydrophobicContact CB-CD1 4.45Å; A216-L219 HydrophobicContact CB-CG 4.37Å; L219-Q223 HydrophobicContact CB-CB 4.23Å; L219-M224 HydrophobicContact CB-CG 4.15Å; L219-M224 HydrophobicContact CB-SD 3.9Å; L219-M224 HydrophobicContact CD1-SD 4.1Å; L219-G524 CarbonylContact O-C 3.55Å; L219-G524 WeakPolarHBondContact O-CA 3.16Å; L219-I525 PolarHBondContact N-O 3.36Å; L219-I525 PolarHBondContact O-N 2.8Å |
| 220 | S | 98.3 | Very high | 97.9 | Very high | 40 Ų | 40 | 25.8 Ų | 25.8 | 28% | 0.28 | 14% | 0.137 | S | C | . | . | trans | -65.7 | 160.2 | 177.5 | 63.2 | 0 | 0 | 0 | 0 | 112.9 | D222 Q223 M224 | S220-D222 PolarHBondContact O-N 2.73Å; S220-Q223 PolarHBondContact O-N 3.45Å; S220-Q223 WeakPolarHBondContact OG-CB 3.32Å; S220-Q223 VanDerWaalsContact OG-CG 3.28Å; S220-Q223 WeakPolarHBondContact OG-CG 3.42Å; S220-Q223 PolarHBondContact OG-N 3.49Å; S220-Q223 PolarHBondContact OG-OE1 3.18Å; S220-M224 WeakPolarHBondContact O-CG 3.29Å; S220-M224 PolarHBondContact O-N 3.37Å | ||
| 221 | E | 98 | Very high | 98.1 | Very high | 11 Ų | 11 | 25.7 Ų | 25.7 | 5% | 0.051 | 14% | 0.137 | C | C | . | . | H | α-helix | trans | -54.5 | -41.6 | 174.6 | -69.9 | 67.1 | -150.7 | 0 | 0 | 112.1 | M224 L225 I525 L546 K550 R553 | E221-M224 PolarHBondContact O-N 2.91Å; E221-L225 WeakPolarHBondContact O-CB 3.49Å; E221-L225 PolarHBondContact O-N 3.11Å; E221-I525 HydrophobicContact CB-CD1 4.43Å; E221-I525 HydrophobicContact CG-CD1 4.01Å; E221-L546 HydrophobicContact CB-CB 4.39Å; E221-L546 HydrophobicContact CG-CB 4.32Å; E221-K550 HydrophobicContact CG-CB 4.33Å; E221-K550 HydrophobicContact CG-CD 4.28Å; E221-K550 WeakPolarHBondContact OE2-CD 3.46Å; E221-K550 WeakPolarHBondContact OE2-CE 3.41Å; E221-K550 IonicContact OE2-NZ 3.67Å; E221-K550 PolarHBondContact OE2-NZ 2.82Å; E221-R553 IonicContact OE1-CZ 2.75Å; E221-R553 IonicContact OE1-NH2 2.8Å; E221-R553 PolarHBondContact OE1-NH2 2.97Å |
| 222 | D | 98 | Very high | 98.2 | Very high | 107 Ų | 107 | 27.2 Ų | 27.2 | 57% | 0.572 | 14% | 0.144 | S | C | * | . | H | α-helix | trans | -68.7 | -39.1 | -178.7 | -66.4 | -16.4 | 0 | 0 | 0 | 112 | S220 G226 | S220-D222 PolarHBondContact O-N 2.73Å; D222-G226 PolarHBondContact O-N 2.79Å |
| 223 | Q | 98.4 | Very high | 98.2 | Very high | 49 Ų | 49 | 32.7 Ų | 32.7 | 23% | 0.229 | 17% | 0.17 | C | C | . | . | H | α-helix | trans | -65.5 | -42.3 | 174.2 | -76 | 166.7 | -47 | 0 | 0 | 111.4 | Y179 Y184 L219 S220 G226 A227 | Y179-Q223 PolarHBondContact OH-NE2 3.1Å; Y179-Q223 VanDerWaalsContact OH-NE2 3.11Å; Y184-Q223 WeakPolarHBondContact CE1-O 3.39Å; Y184-Q223 WeakPolarHBondContact OH-CA 3.36Å; Y184-Q223 PolarHBondContact OH-O 3.25Å; Y184-Q223 VanDerWaalsContact OH-O 3.09Å; L219-Q223 HydrophobicContact CB-CB 4.23Å; S220-Q223 PolarHBondContact O-N 3.45Å; S220-Q223 WeakPolarHBondContact OG-CB 3.32Å; S220-Q223 VanDerWaalsContact OG-CG 3.28Å; S220-Q223 WeakPolarHBondContact OG-CG 3.42Å; S220-Q223 PolarHBondContact OG-N 3.49Å; S220-Q223 PolarHBondContact OG-OE1 3.18Å; Q223-G226 PolarHBondContact O-N 3.07Å; Q223-A227 PolarHBondContact O-N 2.91Å |
| 224 | M | 98.4 | Very high | 98.2 | Very high | 0 Ų | 0 | 35 Ų | 35 | 0% | 0 | 18% | 0.181 | C | C | . | . | H | α-helix | trans | -65.9 | -43.9 | 178.1 | -67.5 | -58.8 | -69.2 | 0 | 0 | 111.7 | L198 L200 S214 A216 L219 S220 E221 A227 V228 I525 L528 | L198-M224 HydrophobicContact CD1-CE 3.72Å; L198-M224 HydrophobicContact CD1-SD 3.63Å; L200-M224 HydrophobicContact CD1-CE 4.08Å; S214-M224 VanDerWaalsContact OG-CE 3.26Å; S214-M224 WeakPolarHBondContact OG-CE 3.48Å; A216-M224 HydrophobicContact CB-CE 4.14Å; A216-M224 HydrophobicContact CB-SD 3.86Å; L219-M224 HydrophobicContact CB-CG 4.15Å; L219-M224 HydrophobicContact CB-SD 3.9Å; L219-M224 HydrophobicContact CD1-SD 4.1Å; S220-M224 WeakPolarHBondContact O-CG 3.29Å; S220-M224 PolarHBondContact O-N 3.37Å; E221-M224 PolarHBondContact O-N 2.91Å; M224-A227 PolarHBondContact O-N 2.91Å; M224-V228 WeakPolarHBondContact O-CG2 3.38Å; M224-V228 PolarHBondContact O-N 3.22Å; M224-V228 VanDerWaalsContact O-N 3.15Å; M224-I525 HydrophobicContact CB-CD1 3.97Å; M224-I525 HydrophobicContact CE-CG2 4.06Å; M224-I525 HydrophobicContact CG-CB 3.95Å; M224-I525 HydrophobicContact CG-CD1 3.66Å; M224-I525 HydrophobicContact CG-CG1 4.4Å; M224-I525 HydrophobicContact CG-CG2 4.1Å; M224-I525 HydrophobicContact SD-CG2 4.49Å; M224-L528 HydrophobicContact CB-CD1 4Å; M224-L528 HydrophobicContact CE-CD1 3.6Å; M224-L528 HydrophobicContact CE-CG 3.78Å; M224-L528 HydrophobicContact CG-CD1 4.47Å |
| 225 | L | 98.1 | Very high | 98.2 | Very high | 5 Ų | 5 | 35 Ų | 35 | 3% | 0.026 | 18% | 0.18 | C | C | . | . | H | α-helix | trans | -63.9 | -43.2 | 175.3 | -177.4 | 63 | 0 | 0 | 0 | 111.4 | E221 A227 V228 V229 K539 M542 Q543 L546 | E221-L225 WeakPolarHBondContact O-CB 3.49Å; E221-L225 PolarHBondContact O-N 3.11Å; L225-A227 VanDerWaalsContact C-N 3.28Å; L225-A227 PolarHBondContact O-N 2.84Å; L225-V228 PolarHBondContact O-N 3.33Å; L225-V229 HydrophobicContact CD1-CG2 4.37Å; L225-V229 HydrophobicContact CG-CG2 4.4Å; L225-V229 WeakPolarHBondContact O-CG2 3.38Å; L225-V229 PolarHBondContact O-N 3.13Å; L225-K539 HydrophobicContact CD1-CG 4.29Å; L225-K539 HydrophobicContact CD2-CG 4.19Å; L225-K539 HydrophobicContact CG-CG 4.44Å; L225-M542 HydrophobicContact CD1-CB 3.74Å; L225-Q543 HydrophobicContact CD2-CB 3.82Å; L225-Q543 HydrophobicContact CD2-CG 4.26Å; L225-L546 HydrophobicContact CB-CD1 3.88Å; L225-L546 HydrophobicContact CD1-CD1 4.35Å |
| 226 | G | 98.3 | Very high | 98.2 | Very high | 21 Ų | 21 | 34 Ų | 34 | 22% | 0.216 | 18% | 0.176 | C | C | . | . | H | α-helix | trans | -58.7 | -39.5 | 176.8 | 0 | 0 | 0 | 0 | 0 | 112.4 | Y184 D222 Q223 V229 F230 | Y184-G226 WeakPolarHBondContact OH-CA 3.24Å; D222-G226 PolarHBondContact O-N 2.79Å; Q223-G226 PolarHBondContact O-N 3.07Å; G226-V229 PolarHBondContact O-N 2.99Å; G226-F230 VanDerWaalsContact O-CB 3.25Å; G226-F230 WeakPolarHBondContact O-CB 3.43Å; G226-F230 PolarHBondContact O-N 3.22Å |
| 227 | A | 98.7 | Very high | 98.2 | Very high | 0 Ų | 0 | 36 Ų | 36 | 0% | 0 | 19% | 0.187 | C | C | . | . | H | α-helix | trans | -64.5 | -42.1 | 174.9 | 0 | 0 | 0 | 0 | 0 | 112.9 | V177 Y184 L198 L200 Q223 M224 L225 F230 G231 | V177-A227 HydrophobicContact CG1-CB 3.97Å; Y184-A227 HydrophobicContact CD1-CB 3.85Å; Y184-A227 HydrophobicContact CE1-CB 3.69Å; L198-A227 HydrophobicContact CD2-CB 3.43Å; L198-A227 VanDerWaalsContact CD2-CB 3.43Å; L200-A227 HydrophobicContact CD1-CB 4.19Å; Q223-A227 PolarHBondContact O-N 2.91Å; M224-A227 PolarHBondContact O-N 2.91Å; L225-A227 VanDerWaalsContact C-N 3.28Å; L225-A227 PolarHBondContact O-N 2.84Å; A227-F230 PolarHBondContact O-N 3.34Å; A227-G231 PolarHBondContact O-N 2.85Å |
| 228 | V | 98.3 | Very high | 98.3 | Very high | 2 Ų | 2 | 30.4 Ų | 30.4 | 1% | 0.012 | 16% | 0.161 | C | C | . | . | H | α-helix | trans | -61.9 | -47.8 | 176 | 173.8 | 0 | 0 | 0 | 0 | 110.8 | L200 V202 V209 V212 M224 L225 G231 H232 M542 | L200-V228 HydrophobicContact CD1-CG2 3.82Å; L200-V228 HydrophobicContact CD2-CG2 4.34Å; V202-V228 HydrophobicContact CG2-CG1 4.09Å; V209-V228 HydrophobicContact CG1-CG1 4.32Å; V209-V228 HydrophobicContact CG2-CG1 3.98Å; V212-V228 HydrophobicContact CG1-CG2 3.97Å; V212-V228 HydrophobicContact CG2-CG1 3.89Å; V212-V228 HydrophobicContact CG2-CG2 3.82Å; M224-V228 WeakPolarHBondContact O-CG2 3.38Å; M224-V228 PolarHBondContact O-N 3.22Å; M224-V228 VanDerWaalsContact O-N 3.15Å; L225-V228 PolarHBondContact O-N 3.33Å; V228-G231 PolarHBondContact O-N 3.16Å; V228-H232 WeakPolarHBondContact O-CB 3.49Å; V228-H232 PolarHBondContact O-N 3.08Å; V228-M542 HydrophobicContact CB-CE 4.44Å; V228-M542 HydrophobicContact CG1-CE 3.84Å; V228-M542 HydrophobicContact CG1-SD 3.86Å; V228-M542 HydrophobicContact CG2-CE 4.2Å |
| 229 | V | 98 | Very high | 98.3 | Very high | 27 Ų | 27 | 28.9 Ų | 28.9 | 16% | 0.164 | 15% | 0.153 | C | C | . | . | H | α-helix | trans | -62.2 | -47.4 | 179.4 | 173.7 | 0 | 0 | 0 | 0 | 110.4 | L225 G226 G231 H232 E233 K539 | L225-V229 HydrophobicContact CD1-CG2 4.37Å; L225-V229 HydrophobicContact CG-CG2 4.4Å; L225-V229 WeakPolarHBondContact O-CG2 3.38Å; L225-V229 PolarHBondContact O-N 3.13Å; G226-V229 PolarHBondContact O-N 2.99Å; V229-G231 PolarHBondContact O-N 3.47Å; V229-H232 PolarHBondContact O-N 3.05Å; V229-E233 HydrophobicContact CG1-CG 4.38Å; V229-E233 WeakPolarHBondContact CG1-OE1 3.5Å; V229-E233 WeakPolarHBondContact O-CG 3.46Å; V229-E233 PolarHBondContact O-N 3.23Å; V229-K539 HydrophobicContact CG2-CB 4.35Å; V229-K539 HydrophobicContact CG2-CD 3.72Å; V229-K539 HydrophobicContact CG2-CG 3.79Å |
| 230 | F | 98.6 | Very high | 98.3 | Very high | 44 Ų | 44 | 33.5 Ų | 33.5 | 19% | 0.193 | 18% | 0.175 | C | C | . | . | H | α-helix | trans | -56.5 | -48.9 | 176.1 | 173.7 | -99.2 | 0 | 0 | 0 | 111.6 | V177 Y184 L186 G226 A227 H232 E233 Q234 | V177-F230 HydrophobicContact CG1-CD1 3.77Å; V177-F230 HydrophobicContact CG1-CE1 4.24Å; V177-F230 HydrophobicContact CG2-CD1 3.98Å; V177-F230 HydrophobicContact CG2-CE1 4.49Å; Y184-F230 HydrophobicContact CD2-CB 4.07Å; Y184-F230 HydrophobicContact CD2-CD2 4.5Å; Y184-F230 HydrophobicContact CD2-CG 4.22Å; Y184-F230 HydrophobicContact CG-CB 4.27Å; Y184-F230 HydrophobicContact CG-CD1 4.32Å; Y184-F230 HydrophobicContact CG-CG 4.19Å; L186-F230 HydrophobicContact CB-CE1 3.9Å; L186-F230 HydrophobicContact CB-CZ 4.06Å; G226-F230 VanDerWaalsContact O-CB 3.25Å; G226-F230 WeakPolarHBondContact O-CB 3.43Å; G226-F230 PolarHBondContact O-N 3.22Å; A227-F230 PolarHBondContact O-N 3.34Å; F230-H232 PolarHBondContact O-N 3.4Å; F230-E233 PolarHBondContact O-N 3.09Å; F230-Q234 HydrophobicContact CD1-CG 4.33Å; F230-Q234 HydrophobicContact CD2-CG 4.17Å; F230-Q234 HydrophobicContact CE1-CG 4.01Å; F230-Q234 HydrophobicContact CE2-CG 3.82Å; F230-Q234 HydrophobicContact CG-CG 4.42Å; F230-Q234 HydrophobicContact CZ-CG 3.75Å; F230-Q234 WeakPolarHBondContact O-CB 3.45Å; F230-Q234 VanDerWaalsContact O-CG 3.24Å; F230-Q234 WeakPolarHBondContact O-CG 3.15Å; F230-Q234 PolarHBondContact O-N 3.28Å |
| 231 | G | 98.5 | Very high | 98.3 | Very high | 0 Ų | 0 | 32.3 Ų | 32.3 | 0% | 0 | 17% | 0.165 | C | C | . | . | H | α-helix | trans | -63.4 | -38.8 | 178.2 | 0 | 0 | 0 | 0 | 0 | 113.1 | A227 V228 V229 Q234 Q235 | A227-G231 PolarHBondContact O-N 2.85Å; V228-G231 PolarHBondContact O-N 3.16Å; V229-G231 PolarHBondContact O-N 3.47Å; G231-Q234 PolarHBondContact O-N 3.31Å; G231-Q235 WeakPolarHBondContact O-CB 3.32Å; G231-Q235 WeakPolarHBondContact O-CG 3.31Å; G231-Q235 PolarHBondContact O-N 3.38Å |
| 232 | H | 97.9 | Very high | 98.4 | Very high | 31 Ų | 31 | 31.8 Ų | 31.8 | 14% | 0.144 | 16% | 0.163 | C | C | . | . | H | α-helix | trans | -65.6 | -37.9 | 175.5 | -178.6 | -93 | 0 | 0 | 0 | 113 | T205 E206 A208 V209 V228 V229 F230 Q235 Q236 | T205-H232 PolarHBondContact O-NE2 3.32Å; E206-H232 PolarHBondContact O-CE1 2.83Å; A208-H232 PolarHBondContact O-NE2 3.21Å; V209-H232 HydrophobicContact CG2-CB 3.95Å; V228-H232 WeakPolarHBondContact O-CB 3.49Å; V228-H232 PolarHBondContact O-N 3.08Å; V229-H232 PolarHBondContact O-N 3.05Å; F230-H232 PolarHBondContact O-N 3.4Å; H232-Q235 PolarHBondContact CD2-NE2 3.25Å; H232-Q235 VanDerWaalsContact O-CG 3.26Å; H232-Q235 WeakPolarHBondContact O-CG 3.37Å; H232-Q236 WeakPolarHBondContact O-CG 3.37Å; H232-Q236 PolarHBondContact O-NE2 2.99Å |
| 233 | E | 98.1 | Very high | 98.4 | Very high | 116 Ų | 116 | 29.4 Ų | 29.4 | 54% | 0.542 | 15% | 0.15 | S | C | . | . | H | α-helix | trans | -67.9 | -43.5 | 174.5 | -73 | 173.2 | 178.2 | 0 | 0 | 111.4 | V229 F230 Q236 | V229-E233 HydrophobicContact CG1-CG 4.38Å; V229-E233 WeakPolarHBondContact CG1-OE1 3.5Å; V229-E233 WeakPolarHBondContact O-CG 3.46Å; V229-E233 PolarHBondContact O-N 3.23Å; F230-E233 PolarHBondContact O-N 3.09Å; E233-Q236 WeakPolarHBondContact O-CB 3.45Å; E233-Q236 VanDerWaalsContact O-CG 3.28Å; E233-Q236 WeakPolarHBondContact O-CG 3.47Å |
| 234 | Q | 98.4 | Very high | 98.4 | Very high | 68 Ų | 68 | 30.3 Ų | 30.3 | 32% | 0.318 | 15% | 0.154 | S | C | . | . | H | α-helix | trans | -71 | -38.1 | -177.2 | -67.9 | -53.6 | -58 | 0 | 0 | 112.8 | Y34 L186 F230 G231 Q236 V237 | Y34-Q234 WeakPolarHBondContact CE2-O 3.34Å; L186-Q234 HydrophobicContact CD1-CB 3.77Å; L186-Q234 HydrophobicContact CD1-CG 4.26Å; L186-Q234 HydrophobicContact CD2-CB 3.64Å; L186-Q234 HydrophobicContact CD2-CG 3.9Å; L186-Q234 HydrophobicContact CG-CB 4.28Å; L186-Q234 HydrophobicContact CG-CG 4.49Å; F230-Q234 HydrophobicContact CD1-CG 4.33Å; F230-Q234 HydrophobicContact CD2-CG 4.17Å; F230-Q234 HydrophobicContact CE1-CG 4.01Å; F230-Q234 HydrophobicContact CE2-CG 3.82Å; F230-Q234 HydrophobicContact CG-CG 4.42Å; F230-Q234 HydrophobicContact CZ-CG 3.75Å; F230-Q234 WeakPolarHBondContact O-CB 3.45Å; F230-Q234 VanDerWaalsContact O-CG 3.24Å; F230-Q234 WeakPolarHBondContact O-CG 3.15Å; F230-Q234 PolarHBondContact O-N 3.28Å; G231-Q234 PolarHBondContact O-N 3.31Å; Q234-Q236 PolarHBondContact O-N 3.44Å; Q234-V237 PolarHBondContact O-N 3.32Å |
| 235 | Q | 97.9 | Very high | 98.4 | Very high | 0 Ų | 0 | 30.3 Ų | 30.3 | 0% | 0 | 15% | 0.154 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -65.2 | -12.1 | -178.5 | 72.1 | -179.6 | 3.6 | 0 | 0 | 114.1 | Y34 G173 A175 V202 G204 G231 H232 V237 V238 I239 | Y34-Q235 VanDerWaalsContact OH-CA 3.31Å; Y34-Q235 WeakPolarHBondContact OH-CA 3.1Å; Y34-Q235 WeakPolarHBondContact OH-CB 3.45Å; G173-Q235 PolarHBondContact O-OE1 2.9Å; G173-Q235 VanDerWaalsContact O-OE1 3.04Å; A175-Q235 HydrophobicContact CB-CB 4.34Å; V202-Q235 PolarHBondContact O-OE1 3Å; G204-Q235 PolarHBondContact O-NE2 2.88Å; G231-Q235 WeakPolarHBondContact O-CB 3.32Å; G231-Q235 WeakPolarHBondContact O-CG 3.31Å; G231-Q235 PolarHBondContact O-N 3.38Å; H232-Q235 PolarHBondContact CD2-NE2 3.25Å; H232-Q235 VanDerWaalsContact O-CG 3.26Å; H232-Q235 WeakPolarHBondContact O-CG 3.37Å; Q235-V237 PolarHBondContact O-N 3.39Å; Q235-V238 VanDerWaalsContact O-CB 3.32Å; Q235-V238 WeakPolarHBondContact O-CB 3.33Å; Q235-V238 PolarHBondContact O-N 3.1Å; Q235-I239 PolarHBondContact O-N 3.3Å |
| 236 | Q | 98.4 | Very high | 98.4 | Very high | 28 Ų | 28 | 32.1 Ų | 32.1 | 13% | 0.131 | 17% | 0.165 | C | C | . | . | H | α-helix | trans | -57.9 | -30.5 | 177.1 | -60.6 | -52.8 | -40.3 | 0 | 0 | 112.4 | H232 E233 Q234 V238 I239 Q240 | H232-Q236 WeakPolarHBondContact O-CG 3.37Å; H232-Q236 PolarHBondContact O-NE2 2.99Å; E233-Q236 WeakPolarHBondContact O-CB 3.45Å; E233-Q236 VanDerWaalsContact O-CG 3.28Å; E233-Q236 WeakPolarHBondContact O-CG 3.47Å; Q234-Q236 PolarHBondContact O-N 3.44Å; Q236-V238 VanDerWaalsContact C-N 3.25Å; Q236-V238 PolarHBondContact O-N 3.43Å; Q236-I239 PolarHBondContact O-N 3.32Å; Q236-Q240 WeakPolarHBondContact O-CB 3.3Å; Q236-Q240 VanDerWaalsContact O-CG 3.26Å; Q236-Q240 WeakPolarHBondContact O-CG 3.37Å; Q236-Q240 PolarHBondContact O-N 3.41Å |
| 237 | V | 98.6 | Very high | 98.4 | Very high | 47 Ų | 47 | 39.5 Ų | 39.5 | 29% | 0.285 | 19% | 0.192 | S | C | . | . | H | α-helix | trans | -58.5 | -39.5 | 174.5 | 177.8 | 0 | 0 | 0 | 0 | 111.4 | F32 Q33 Y34 Q234 Q235 N241 | F32-V237 HydrophobicContact CD2-CG1 3.78Å; F32-V237 HydrophobicContact CE2-CG1 4.24Å; Q33-V237 WeakPolarHBondContact O-CG1 3.47Å; Y34-V237 HydrophobicContact CD2-CB 4.38Å; Q234-V237 PolarHBondContact O-N 3.32Å; Q235-V237 PolarHBondContact O-N 3.39Å; V237-N241 PolarHBondContact O-N 3.03Å; V237-N241 PolarHBondContact O-ND2 2.78Å |
| 238 | V | 98.8 | Very high | 98.3 | Very high | 0 Ų | 0 | 45.2 Ų | 45.2 | 0% | 0 | 22% | 0.218 | C | C | . | . | H | α-helix | trans | -65.8 | -49.4 | 176.6 | 174.2 | 0 | 0 | 0 | 0 | 110.3 | F32 Y34 I155 Q235 Q236 Q240 N241 I242 | F32-V238 HydrophobicContact CE2-CG2 4.11Å; F32-V238 HydrophobicContact CZ-CG2 4.37Å; Y34-V238 HydrophobicContact CD1-CG2 3.84Å; Y34-V238 HydrophobicContact CD2-CG2 4.28Å; Y34-V238 HydrophobicContact CE1-CG2 3.6Å; Y34-V238 HydrophobicContact CE2-CG2 4.1Å; Y34-V238 HydrophobicContact CG-CG2 4.18Å; I155-V238 HydrophobicContact CB-CG1 4.42Å; I155-V238 HydrophobicContact CD1-CG1 4.37Å; I155-V238 HydrophobicContact CD1-CG2 3.95Å; I155-V238 HydrophobicContact CG1-CG1 3.94Å; I155-V238 HydrophobicContact CG1-CG2 4.34Å; I155-V238 HydrophobicContact CG2-CG1 3.87Å; Q235-V238 VanDerWaalsContact O-CB 3.32Å; Q235-V238 WeakPolarHBondContact O-CB 3.33Å; Q235-V238 PolarHBondContact O-N 3.1Å; Q236-V238 VanDerWaalsContact C-N 3.25Å; Q236-V238 PolarHBondContact O-N 3.43Å; V238-Q240 VanDerWaalsContact C-N 3.33Å; V238-Q240 PolarHBondContact O-N 3.29Å; V238-N241 PolarHBondContact O-N 3.47Å; V238-I242 HydrophobicContact CG1-CD1 3.66Å; V238-I242 HydrophobicContact CG1-CG1 4.27Å; V238-I242 WeakPolarHBondContact O-CG1 3.43Å; V238-I242 PolarHBondContact O-N 2.84Å |
| 239 | I | 98.7 | Very high | 98.2 | Very high | 3 Ų | 3 | 46.4 Ų | 46.4 | 2% | 0.015 | 23% | 0.228 | C | C | . | . | H | α-helix | trans | -56.8 | -47.9 | -178.8 | -68.4 | 174.7 | 0 | 0 | 0 | 110.5 | P171 G173 E206 Q235 Q236 N241 I242 N243 | P171-I239 HydrophobicContact CG-CG2 4.08Å; G173-I239 VanDerWaalsContact N-CG1 3.31Å; E206-I239 HydrophobicContact CB-CG2 4.42Å; Q235-I239 PolarHBondContact O-N 3.3Å; Q236-I239 PolarHBondContact O-N 3.32Å; I239-N241 PolarHBondContact O-N 2.79Å; I239-I242 PolarHBondContact O-N 2.95Å; I239-N243 WeakPolarHBondContact O-CB 3.22Å; I239-N243 PolarHBondContact O-N 2.8Å; I239-N243 PolarHBondContact O-ND2 3.26Å |
| 240 | Q | 98.6 | Very high | 98.2 | Very high | 105 Ų | 105 | 46.6 Ų | 46.6 | 49% | 0.491 | 24% | 0.236 | S | C | . | . | H | α-helix | trans | -59.2 | -46.7 | 178.5 | -70.2 | 168.6 | 13 | 0 | 0 | 111.7 | Q236 V238 N243 E244 | Q236-Q240 WeakPolarHBondContact O-CB 3.3Å; Q236-Q240 VanDerWaalsContact O-CG 3.26Å; Q236-Q240 WeakPolarHBondContact O-CG 3.37Å; Q236-Q240 PolarHBondContact O-N 3.41Å; V238-Q240 VanDerWaalsContact C-N 3.33Å; V238-Q240 PolarHBondContact O-N 3.29Å; Q240-N243 PolarHBondContact O-N 2.67Å; Q240-E244 WeakPolarHBondContact O-CG 3.29Å; Q240-E244 PolarHBondContact O-N 2.92Å |
| 241 | N | 98.7 | Very high | 98.1 | Very high | 14 Ų | 14 | 49.2 Ų | 49.2 | 8% | 0.075 | 25% | 0.247 | C | C | . | . | H | α-helix | trans | -70.1 | -32.8 | -179.7 | -82.4 | -84.5 | 0 | 0 | 0 | 113.1 | R30 F32 V237 V238 I239 E244 L245 | R30-N241 HydrophobicContact CG-CB 4.28Å; R30-N241 PolarHBondContact NE-OD1 3.27Å; F32-N241 HydrophobicContact CD1-CB 3.5Å; F32-N241 WeakPolarHBondContact CD1-OD1 3.48Å; F32-N241 HydrophobicContact CD2-CB 4.47Å; F32-N241 HydrophobicContact CE1-CB 3.49Å; F32-N241 VanDerWaalsContact CE1-CB 3.49Å; F32-N241 HydrophobicContact CE2-CB 4.45Å; F32-N241 HydrophobicContact CG-CB 4.02Å; F32-N241 VanDerWaalsContact CG-CG 3.43Å; F32-N241 WeakPolarHBondContact CG-ND2 3.17Å; F32-N241 HydrophobicContact CZ-CB 3.98Å; V237-N241 PolarHBondContact O-N 3.03Å; V237-N241 PolarHBondContact O-ND2 2.78Å; V238-N241 PolarHBondContact O-N 3.47Å; I239-N241 PolarHBondContact O-N 2.79Å; N241-E244 PolarHBondContact O-N 2.98Å; N241-E244 PolarHBondContact OD1-OE2 3.22Å; N241-L245 WeakPolarHBondContact O-CB 3.48Å; N241-L245 PolarHBondContact O-N 2.8Å |
| 242 | I | 98.8 | Very high | 98 | Very high | 0 Ų | 0 | 54.8 Ų | 54.8 | 0% | 0 | 28% | 0.283 | C | S | . | . | H | α-helix | trans | -66.7 | -44.2 | 171.9 | -66.7 | 172 | 0 | 0 | 0 | 110 | L41 S158 A159 P171 V238 I239 E244 L245 V246 | L41-I242 HydrophobicContact CD1-CG1 3.9Å; S158-I242 WeakPolarHBondContact OG-CD1 3.29Å; A159-I242 HydrophobicContact CB-CD1 4.12Å; A159-I242 HydrophobicContact CB-CG1 4.05Å; A159-I242 HydrophobicContact CB-CG2 4.35Å; P171-I242 HydrophobicContact CB-CB 4Å; P171-I242 HydrophobicContact CB-CD1 4.09Å; P171-I242 HydrophobicContact CB-CG2 3.58Å; P171-I242 HydrophobicContact CG-CB 4.06Å; P171-I242 HydrophobicContact CG-CG2 3.86Å; V238-I242 HydrophobicContact CG1-CD1 3.66Å; V238-I242 HydrophobicContact CG1-CG1 4.27Å; V238-I242 WeakPolarHBondContact O-CG1 3.43Å; V238-I242 PolarHBondContact O-N 2.84Å; I239-I242 PolarHBondContact O-N 2.95Å; I242-E244 VanDerWaalsContact C-N 3.29Å; I242-E244 PolarHBondContact O-N 3.38Å; I242-L245 WeakPolarHBondContact O-CB 3.45Å; I242-L245 PolarHBondContact O-N 2.61Å; I242-L245 VanDerWaalsContact O-N 3.15Å; I242-V246 HydrophobicContact CG2-CG2 4.19Å; I242-V246 VanDerWaalsContact O-CG2 3.27Å; I242-V246 WeakPolarHBondContact O-CG2 3.34Å; I242-V246 PolarHBondContact O-N 3.07Å |
| 243 | N | 98.5 | Very high | 97.9 | Very high | 58 Ų | 58 | 60 Ų | 60 | 31% | 0.31 | 30% | 0.302 | S | S | . | . | H | α-helix | trans | -59.8 | -39.6 | 176.4 | -79.5 | -28.5 | 0 | 0 | 0 | 112.2 | P171 I239 Q240 V246 K247 | P171-N243 WeakPolarHBondContact CD-OD1 3.5Å; P171-N243 WeakPolarHBondContact CG-OD1 3.4Å; I239-N243 WeakPolarHBondContact O-CB 3.22Å; I239-N243 PolarHBondContact O-N 2.8Å; I239-N243 PolarHBondContact O-ND2 3.26Å; Q240-N243 PolarHBondContact O-N 2.67Å; N243-V246 PolarHBondContact O-N 3.35Å; N243-K247 WeakPolarHBondContact O-CG 3.12Å; N243-K247 PolarHBondContact O-N 3.3Å |
| 244 | E | 98.5 | Very high | 97.8 | Very high | 68 Ų | 68 | 56.1 Ų | 56.1 | 32% | 0.318 | 28% | 0.282 | S | S | . | . | H | α-helix | trans | -64.6 | -44.6 | 172.9 | -70.5 | 174.3 | 143.7 | 0 | 0 | 112.2 | R30 Q240 N241 I242 V246 K247 E248 | R30-E244 IonicContact CZ-OE2 3.76Å; R30-E244 IonicContact NE-OE2 2.85Å; R30-E244 PolarHBondContact NE-OE2 2.91Å; R30-E244 VanDerWaalsContact NE-OE2 3.16Å; R30-E244 VanDerWaalsContact NH2-CD 3.26Å; R30-E244 IonicContact NH2-OE1 2.7Å; R30-E244 PolarHBondContact NH2-OE1 2.76Å; R30-E244 IonicContact NH2-OE2 3.08Å; R30-E244 PolarHBondContact NH2-OE2 3.33Å; Q240-E244 WeakPolarHBondContact O-CG 3.29Å; Q240-E244 PolarHBondContact O-N 2.92Å; N241-E244 PolarHBondContact O-N 2.98Å; N241-E244 PolarHBondContact OD1-OE2 3.22Å; I242-E244 VanDerWaalsContact C-N 3.29Å; I242-E244 PolarHBondContact O-N 3.38Å; E244-V246 VanDerWaalsContact C-N 3.29Å; E244-V246 PolarHBondContact O-N 3.26Å; E244-K247 WeakPolarHBondContact O-CB 3.47Å; E244-K247 PolarHBondContact O-N 3.42Å; E244-E248 PolarHBondContact O-N 2.71Å |
| 245 | L | 98.3 | Very high | 97.6 | Very high | 0 Ų | 0 | 60.3 Ų | 60.3 | 0% | 0 | 31% | 0.307 | C | S | . | . | H | α-helix | trans | -60.1 | -39.6 | 175.2 | -177.7 | 64.7 | 0 | 0 | 0 | 111.9 | I28 R30 L41 T43 L163 N241 I242 E248 A249 | I28-L245 HydrophobicContact CG2-CD1 3.8Å; R30-L245 HydrophobicContact CB-CD1 4.44Å; L41-L245 HydrophobicContact CB-CD2 3.83Å; L41-L245 HydrophobicContact CD1-CD2 4.01Å; T43-L245 HydrophobicContact CG2-CD1 4.24Å; L163-L245 HydrophobicContact CD1-CD2 4.03Å; L163-L245 HydrophobicContact CD1-CG 4.39Å; L163-L245 HydrophobicContact CD2-CG 4.31Å; N241-L245 WeakPolarHBondContact O-CB 3.48Å; N241-L245 PolarHBondContact O-N 2.8Å; I242-L245 WeakPolarHBondContact O-CB 3.45Å; I242-L245 PolarHBondContact O-N 2.61Å; I242-L245 VanDerWaalsContact O-N 3.15Å; L245-E248 PolarHBondContact O-N 2.92Å; L245-A249 WeakPolarHBondContact O-CB 3.18Å; L245-A249 PolarHBondContact O-N 3.14Å |
| 246 | V | 98.1 | Very high | 97.3 | Very high | 43 Ų | 43 | 63.2 Ų | 63.2 | 26% | 0.261 | 32% | 0.318 | S | S | . | . | H | α-helix | trans | -67 | -36.9 | 177.1 | 172 | 0 | 0 | 0 | 0 | 111.6 | L163 I242 N243 E244 E248 G250 | L163-V246 HydrophobicContact CD2-CG2 4.11Å; L163-V246 HydrophobicContact CG-CG2 4.34Å; I242-V246 HydrophobicContact CG2-CG2 4.19Å; I242-V246 VanDerWaalsContact O-CG2 3.27Å; I242-V246 WeakPolarHBondContact O-CG2 3.34Å; I242-V246 PolarHBondContact O-N 3.07Å; N243-V246 PolarHBondContact O-N 3.35Å; E244-V246 VanDerWaalsContact C-N 3.29Å; E244-V246 PolarHBondContact O-N 3.26Å; V246-E248 PolarHBondContact O-N 2.78Å; V246-G250 WeakPolarHBondContact O-CA 3.29Å; V246-G250 PolarHBondContact O-N 3.21Å |
| 247 | K | 97.7 | Very high | 96.9 | Very high | 176 Ų | 176 | 68.4 Ų | 68.4 | 77% | 0.765 | 34% | 0.342 | S | S | * | . | H | α-helix | trans | -60.6 | -34.6 | 173.5 | -71.9 | 168.3 | -172.2 | 171.9 | 0 | 112.2 | N243 E244 | N243-K247 WeakPolarHBondContact O-CG 3.12Å; N243-K247 PolarHBondContact O-N 3.3Å; E244-K247 WeakPolarHBondContact O-CB 3.47Å; E244-K247 PolarHBondContact O-N 3.42Å |
| 248 | E | 96.7 | Very high | 96.4 | Very high | 119 Ų | 119 | 69.9 Ų | 69.9 | 56% | 0.556 | 35% | 0.353 | S | S | * | . | H | α-helix | trans | -86.2 | -38 | -178.1 | -67.2 | -179.5 | -165.4 | 0 | 0 | 113.5 | I28 E244 L245 V246 | I28-E248 HydrophobicContact CG2-CB 4.41Å; E244-E248 PolarHBondContact O-N 2.71Å; L245-E248 PolarHBondContact O-N 2.92Å; V246-E248 PolarHBondContact O-N 2.78Å |
| 249 | A | 96.9 | Very high | 95.6 | Very high | 28 Ų | 28 | 78.2 Ų | 78.2 | 23% | 0.231 | 39% | 0.391 | C | S | . | . | H | α-helix | trans | -127.7 | -2.7 | -166.2 | 0 | 0 | 0 | 0 | 0 | 114.7 | I28 T43 L163 L245 | I28-A249 HydrophobicContact CD1-CB 3.54Å; I28-A249 HydrophobicContact CG2-CB 4.41Å; T43-A249 HydrophobicContact CG2-CB 3.8Å; L163-A249 HydrophobicContact CD2-CB 3.84Å; L245-A249 WeakPolarHBondContact O-CB 3.18Å; L245-A249 PolarHBondContact O-N 3.14Å |
| 250 | G | 96.8 | Very high | 95 | Very high | 31 Ų | 31 | 83.9 Ų | 83.9 | 32% | 0.32 | 43% | 0.429 | S | S | . | . | P | Polyproline II helix | trans | -63.3 | 135.6 | -175.3 | 0 | 0 | 0 | 0 | 0 | 112.8 | V246 | V246-G250 WeakPolarHBondContact O-CA 3.29Å; V246-G250 PolarHBondContact O-N 3.21Å |
| 251 | K | 96.8 | Very high | 94.5 | Very high | 98 Ų | 98 | 83.4 Ų | 83.4 | 43% | 0.426 | 43% | 0.432 | S | S | . | . | P | Polyproline II helix | trans | -76.4 | 151.1 | 171.7 | -64.5 | -178.8 | -178.5 | -175.4 | 0 | 109.9 | A50 T51 L163 R253 | A50-K251 PolarHBondContact O-NZ 3.38Å; T51-K251 VanDerWaalsContact O-CD 3.29Å; T51-K251 WeakPolarHBondContact O-CD 3.31Å; T51-K251 WeakPolarHBondContact O-CE 3.48Å; T51-K251 PolarHBondContact O-NZ 3.01Å; L163-K251 WeakPolarHBondContact O-CB 3.48Å; L163-K251 WeakPolarHBondContact O-CG 3.38Å; L163-K251 PolarHBondContact O-N 2.75Å; K251-R253 PolarHBondContact O-N 3.38Å |
| 252 | P | 96.6 | Very high | 94.1 | Very high | 117 Ų | 117 | 85.8 Ų | 85.8 | 76% | 0.76 | 45% | 0.445 | S | S | * | . | P | Polyproline II helix | trans | -53.8 | 136 | 173.8 | -24.9 | 34 | 0 | 0 | 0 | 111.2 | W254 | P252-W254 PolarHBondContact O-N 3.03Š|
| 253 | R | 96.1 | Very high | 93.9 | Very high | 142 Ų | 142 | 92.2 Ų | 92.2 | 54% | 0.536 | 48% | 0.475 | S | S | . | . | P | Polyproline II helix | trans | -57.4 | 140.2 | 174.5 | -164.2 | 171.9 | -179.9 | 106.8 | -9.6 | 109.1 | G165 F168 N169 K251 | G165-R253 CarbonylContact O-C 3.57Å; G165-R253 VanDerWaalsContact O-CA 3.31Å; G165-R253 WeakPolarHBondContact O-CA 3.31Å; F168-R253 PolarHBondContact O-NH1 2.83Å; N169-R253 PolarHBondContact OD1-NH2 2.76Å; N169-R253 VanDerWaalsContact OD1-NH2 3.12Å; K251-R253 PolarHBondContact O-N 3.38Å |
| 254 | W | 96.1 | Very high | 93.7 | Very high | 34 Ų | 34 | 93.1 Ų | 93.1 | 13% | 0.129 | 49% | 0.49 | C | S | . | . | P | Polyproline II helix | trans | -61.6 | 139.1 | 176.3 | -66.7 | 9.4 | 0 | 0 | 0 | 109.1 | T51 Q70 K71 F130 G165 I166 P167 P252 W256 | T51-W254 HydrophobicContact CG2-CZ2 4Å; Q70-W254 WeakPolarHBondContact O-CZ3 3.19Å; K71-W254 HydrophobicContact CG-CD2 4.37Å; K71-W254 HydrophobicContact CG-CE3 4.4Å; K71-W254 HydrophobicContact CG-CH2 4.07Å; K71-W254 HydrophobicContact CG-CZ2 4.04Å; K71-W254 HydrophobicContact CG-CZ3 4.26Å; F130-W254 HydrophobicContact CZ-CZ3 4.24Å; G165-W254 PolarHBondContact O-N 2.95Å; I166-W254 HydrophobicContact CD1-CH2 4.33Å; I166-W254 HydrophobicContact CD1-CZ2 4.23Å; I166-W254 HydrophobicContact CG1-CD2 4.33Å; I166-W254 HydrophobicContact CG1-CH2 3.74Å; I166-W254 HydrophobicContact CG1-CZ2 3.45Å; I166-W254 VanDerWaalsContact CG1-CZ2 3.45Å; I166-W254 HydrophobicContact CG1-CZ3 4.27Å; P167-W254 HydrophobicContact CG-CB 4.42Å; P252-W254 PolarHBondContact O-N 3.03Å; W254-W256 PolarHBondContact O-N 3.22Å |
| 255 | D | 93.4 | Very high | 93.5 | Very high | 155 Ų | 155 | 90.4 Ų | 90.4 | 83% | 0.829 | 48% | 0.478 | S | S | * | . | trans | -77.2 | 79.8 | 168.9 | -172.2 | 19.7 | 0 | 0 | 0 | 108.1 | ||||
| 256 | W | 93.1 | Very high | 93.4 | Very high | 62 Ų | 62 | 92.4 Ų | 92.4 | 24% | 0.235 | 49% | 0.489 | C | S | . | . | trans | -116.4 | 133.9 | 175.6 | 176.2 | 88.9 | 0 | 0 | 0 | 107.7 | P127 F130 P167 W254 P258 | P127-W256 HydrophobicContact CB-CH2 4.06Å; P127-W256 HydrophobicContact CB-CZ3 3.88Å; P127-W256 HydrophobicContact CG-CE3 4.26Å; P127-W256 HydrophobicContact CG-CH2 3.98Å; P127-W256 HydrophobicContact CG-CZ3 3.65Å; F130-W256 HydrophobicContact CB-CH2 4.49Å; F130-W256 HydrophobicContact CB-CZ2 4.2Å; F130-W256 HydrophobicContact CD2-CD2 4.07Å; F130-W256 AromaticContact CD2-CE2 3.78Å; F130-W256 HydrophobicContact CD2-CG 4.33Å; F130-W256 HydrophobicContact CD2-CZ2 4.15Å; F130-W256 AromaticContact CD2-NE1 3.84Å; F130-W256 HydrophobicContact CE2-CG 4.42Å; P167-W256 HydrophobicContact CB-CE3 4.41Å; P167-W256 HydrophobicContact CG-CB 3.83Å; P167-W256 HydrophobicContact CG-CD2 4.36Å; P167-W256 HydrophobicContact CG-CE3 4.33Å; P167-W256 HydrophobicContact CG-CG 4.18Å; W254-W256 PolarHBondContact O-N 3.22Å; W256-P258 HydrophobicContact CH2-CB 4.01Å; W256-P258 HydrophobicContact CZ3-CB 4.45Å | ||
| 257 | Q | 89.2 | Confident | 93.3 | Very high | 137 Ų | 137 | 93.3 Ų | 93.3 | 64% | 0.64 | 50% | 0.501 | S | S | * | . | trans | -122.8 | 144.9 | 173.6 | -60.7 | -61 | -34.1 | 0 | 0 | 107.5 | ||||
| 258 | P | 87 | Confident | 93.3 | Very high | 78 Ų | 78 | 89.8 Ų | 89.8 | 51% | 0.506 | 48% | 0.483 | S | S | . | . | P | Polyproline II helix | trans | -60.1 | 153.6 | 169.6 | 29 | -34.8 | 0 | 0 | 0 | 109.7 | W256 | W256-P258 HydrophobicContact CH2-CB 4.01Å; W256-P258 HydrophobicContact CZ3-CB 4.45Å |
| 259 | E | 83 | Confident | 93.3 | Very high | 174 Ų | 174 | 84.1 Ų | 84.1 | 81% | 0.813 | 46% | 0.456 | S | S | * | . | P | Polyproline II helix | trans | -62.9 | 140.5 | 173.3 | -64.3 | -166.5 | 164.9 | 0 | 0 | 109.9 | V261 | E259-V261 PolarHBondContact O-N 3.43Š|
| 260 | P | 86 | Confident | 93.3 | Very high | 123 Ų | 123 | 83.8 Ų | 83.8 | 80% | 0.799 | 45% | 0.454 | S | S | * | . | P | Polyproline II helix | trans | -60 | 124.5 | 177.8 | -21.2 | 32.2 | 0 | 0 | 0 | 110.4 | N262 | P260-N262 PolarHBondContact O-N 3.49Š|
| 261 | V | 87.2 | Confident | 93.3 | Very high | 94 Ų | 94 | 86.1 Ų | 86.1 | 57% | 0.57 | 47% | 0.47 | S | S | * | . | P | Polyproline II helix | trans | -66.4 | 123.8 | 175.5 | -179.2 | 0 | 0 | 0 | 0 | 109.1 | E259 E263 N266 | E259-V261 PolarHBondContact O-N 3.43Å; V261-E263 VanDerWaalsContact C-N 3.33Å; V261-E263 PolarHBondContact O-N 3.11Å; V261-N266 VanDerWaalsContact CG1-ND2 3.3Å; V261-N266 WeakPolarHBondContact CG1-ND2 3.47Å |
| 262 | N | 90.7 | Very high | 93.4 | Very high | 64 Ų | 64 | 83.7 Ų | 83.7 | 34% | 0.342 | 46% | 0.461 | S | S | . | . | trans | -78.2 | 83.7 | 173.2 | -171.1 | -16.6 | 0 | 0 | 0 | 109.8 | P260 A264 L265 N266 | P260-N262 PolarHBondContact O-N 3.49Å; N262-A264 VanDerWaalsContact C-N 3.25Å; N262-A264 PolarHBondContact O-N 2.8Å; N262-L265 HydrophobicContact CB-CB 3.84Å; N262-L265 HydrophobicContact CB-CD2 4.46Å; N262-L265 WeakPolarHBondContact ND2-CB 3.35Å; N262-L265 PolarHBondContact O-N 2.8Å; N262-L265 VanDerWaalsContact O-N 3.12Å; N262-L265 WeakPolarHBondContact OD1-CB 3.16Å; N262-L265 PolarHBondContact OD1-N 2.96Å; N262-L265 VanDerWaalsContact OD1-N 3.1Å; N262-N266 PolarHBondContact O-N 2.81Å; N262-N266 PolarHBondContact O-ND2 3.34Å | ||
| 263 | E | 94.5 | Very high | 93.4 | Very high | 136 Ų | 136 | 78.1 Ų | 78.1 | 64% | 0.636 | 43% | 0.425 | S | S | * | . | H | α-helix | trans | -56.9 | -37.4 | -176.7 | -66.3 | -67.2 | 173.3 | 0 | 0 | 113 | V261 N266 A267 | V261-E263 VanDerWaalsContact C-N 3.33Å; V261-E263 PolarHBondContact O-N 3.11Å; E263-N266 PolarHBondContact O-N 2.89Å; E263-A267 WeakPolarHBondContact O-CB 3.47Å; E263-A267 PolarHBondContact O-N 3.36Å |
| 264 | A | 94.4 | Very high | 93.5 | Very high | 76 Ų | 76 | 76 Ų | 76 | 63% | 0.628 | 42% | 0.421 | S | S | * | . | H | α-helix | trans | -66.9 | -41.3 | 178.2 | 0 | 0 | 0 | 0 | 0 | 111.5 | N262 R268 | N262-A264 VanDerWaalsContact C-N 3.25Å; N262-A264 PolarHBondContact O-N 2.8Å; A264-R268 WeakPolarHBondContact O-CB 3.37Å; A264-R268 PolarHBondContact O-N 2.86Å |
| 265 | L | 95 | Very high | 93.5 | Very high | 11 Ų | 11 | 77.8 Ų | 77.8 | 6% | 0.058 | 44% | 0.444 | C | S | . | . | H | α-helix | trans | -67.2 | -45.5 | 175.1 | -175.3 | 60.8 | 0 | 0 | 0 | 111.2 | N262 A267 R268 V269 L311 E315 L316 I319 | N262-L265 HydrophobicContact CB-CB 3.84Å; N262-L265 HydrophobicContact CB-CD2 4.46Å; N262-L265 WeakPolarHBondContact ND2-CB 3.35Å; N262-L265 PolarHBondContact O-N 2.8Å; N262-L265 VanDerWaalsContact O-N 3.12Å; N262-L265 WeakPolarHBondContact OD1-CB 3.16Å; N262-L265 PolarHBondContact OD1-N 2.96Å; N262-L265 VanDerWaalsContact OD1-N 3.1Å; L265-A267 VanDerWaalsContact C-N 3.32Å; L265-A267 PolarHBondContact O-N 3Å; L265-R268 WeakPolarHBondContact O-CB 3.26Å; L265-R268 PolarHBondContact O-N 3.3Å; L265-V269 HydrophobicContact CD1-CG2 4.24Å; L265-V269 HydrophobicContact CG-CG2 4.29Å; L265-V269 VanDerWaalsContact O-CG2 3.26Å; L265-V269 WeakPolarHBondContact O-CG2 3.44Å; L265-V269 PolarHBondContact O-N 2.83Å; L265-L311 HydrophobicContact CD1-CD1 4.12Å; L265-L311 HydrophobicContact CD1-CD2 4.06Å; L265-L311 HydrophobicContact CD2-CD2 4.12Å; L265-E315 HydrophobicContact CD2-CG 4.43Å; L265-L316 HydrophobicContact CD1-CD2 3.89Å; L265-L316 HydrophobicContact CD2-CD2 4.07Å; L265-L316 HydrophobicContact CG-CD2 4.2Å; L265-I319 HydrophobicContact CB-CD1 4.46Å; L265-I319 HydrophobicContact CD2-CD1 3.82Å; L265-I319 HydrophobicContact CG-CD1 3.84Å |
| 266 | N | 95.5 | Very high | 93.7 | Very high | 42 Ų | 42 | 74.3 Ų | 74.3 | 23% | 0.225 | 42% | 0.419 | C | S | . | . | H | α-helix | trans | -54.1 | -48.6 | 174.8 | -83.8 | -82.4 | 0 | 0 | 0 | 111.6 | V261 N262 E263 R268 V269 A270 I319 | V261-N266 VanDerWaalsContact CG1-ND2 3.3Å; V261-N266 WeakPolarHBondContact CG1-ND2 3.47Å; N262-N266 PolarHBondContact O-N 2.81Å; N262-N266 PolarHBondContact O-ND2 3.34Å; E263-N266 PolarHBondContact O-N 2.89Å; N266-R268 VanDerWaalsContact C-N 3.33Å; N266-R268 PolarHBondContact O-N 3.15Å; N266-V269 PolarHBondContact O-N 2.99Å; N266-A270 VanDerWaalsContact O-CB 3.32Å; N266-A270 WeakPolarHBondContact O-CB 3.49Å; N266-A270 PolarHBondContact O-N 3.38Å; N266-I319 WeakPolarHBondContact OD1-CG2 3.16Å |
| 267 | A | 96.8 | Very high | 93.9 | Very high | 63 Ų | 63 | 71.4 Ų | 71.4 | 52% | 0.521 | 41% | 0.408 | S | S | . | . | H | α-helix | trans | -63 | -37.9 | 176.8 | 0 | 0 | 0 | 0 | 0 | 112.6 | E263 L265 A271 | E263-A267 WeakPolarHBondContact O-CB 3.47Å; E263-A267 PolarHBondContact O-N 3.36Å; L265-A267 VanDerWaalsContact C-N 3.32Å; L265-A267 PolarHBondContact O-N 3Å; A267-A271 WeakPolarHBondContact O-CB 3.25Å; A267-A271 PolarHBondContact O-N 2.96Å |
| 268 | R | 97.2 | Very high | 94.2 | Very high | 101 Ų | 101 | 66.1 Ų | 66.1 | 38% | 0.381 | 39% | 0.386 | S | S | . | . | H | α-helix | trans | -67.1 | -45.2 | 177.4 | -176 | 66.7 | -178.4 | 146.8 | -0.1 | 111.7 | A264 L265 N266 A271 L272 L304 E307 | A264-R268 WeakPolarHBondContact O-CB 3.37Å; A264-R268 PolarHBondContact O-N 2.86Å; L265-R268 WeakPolarHBondContact O-CB 3.26Å; L265-R268 PolarHBondContact O-N 3.3Å; N266-R268 VanDerWaalsContact C-N 3.33Å; N266-R268 PolarHBondContact O-N 3.15Å; R268-A271 PolarHBondContact O-N 3.46Å; R268-L272 WeakPolarHBondContact O-CG 3.35Å; R268-L272 PolarHBondContact O-N 3.41Å; R268-L304 HydrophobicContact CG-CD2 3.6Å; R268-E307 IonicContact CZ-OE1 3.66Å; R268-E307 IonicContact CZ-OE2 3.55Å; R268-E307 IonicContact NE-OE1 3.86Å; R268-E307 IonicContact NE-OE2 3.02Å; R268-E307 PolarHBondContact NE-OE2 2.84Å; R268-E307 IonicContact NH2-OE1 2.67Å; R268-E307 PolarHBondContact NH2-OE1 3.32Å; R268-E307 IonicContact NH2-OE2 3.22Å; R268-E307 PolarHBondContact NH2-OE2 2.9Å |
| 269 | V | 97.4 | Very high | 94.6 | Very high | 0 Ų | 0 | 67.1 Ų | 67.1 | 0% | 0 | 39% | 0.387 | C | S | . | . | H | α-helix | trans | -62.9 | -46.8 | 176.8 | -179.6 | 0 | 0 | 0 | 0 | 110 | L265 N266 A271 L272 A273 T300 L304 L316 I319 L320 I323 | L265-V269 HydrophobicContact CD1-CG2 4.24Å; L265-V269 HydrophobicContact CG-CG2 4.29Å; L265-V269 VanDerWaalsContact O-CG2 3.26Å; L265-V269 WeakPolarHBondContact O-CG2 3.44Å; L265-V269 PolarHBondContact O-N 2.83Å; N266-V269 PolarHBondContact O-N 2.99Å; V269-A271 VanDerWaalsContact C-N 3.33Å; V269-A271 PolarHBondContact O-N 2.88Å; V269-L272 PolarHBondContact O-N 2.97Å; V269-L272 VanDerWaalsContact O-N 3.09Å; V269-A273 WeakPolarHBondContact O-CB 3.37Å; V269-A273 PolarHBondContact O-N 3.07Å; V269-T300 HydrophobicContact CG1-CG2 4.28Å; V269-L304 HydrophobicContact CB-CD1 4.48Å; V269-L304 HydrophobicContact CG2-CD1 3.58Å; V269-L316 HydrophobicContact CG2-CD2 4.04Å; V269-I319 HydrophobicContact CB-CG2 3.69Å; V269-I319 HydrophobicContact CG1-CG2 3.75Å; V269-I319 HydrophobicContact CG2-CB 4.5Å; V269-I319 HydrophobicContact CG2-CD1 4.45Å; V269-I319 HydrophobicContact CG2-CG2 3.9Å; V269-L320 HydrophobicContact CG1-CD2 3.7Å; V269-L320 HydrophobicContact CG1-CG 3.88Å; V269-I323 HydrophobicContact CB-CD1 4.19Å; V269-I323 HydrophobicContact CG1-CD1 3.62Å |
| 270 | A | 97 | Very high | 95.2 | Very high | 22 Ų | 22 | 59 Ų | 59 | 18% | 0.182 | 35% | 0.35 | C | S | . | . | H | α-helix | trans | -57.2 | -45.3 | 177.2 | 0 | 0 | 0 | 0 | 0 | 112 | N266 L272 A273 E274 I323 | N266-A270 VanDerWaalsContact O-CB 3.32Å; N266-A270 WeakPolarHBondContact O-CB 3.49Å; N266-A270 PolarHBondContact O-N 3.38Å; A270-L272 PolarHBondContact O-N 3.19Å; A270-A273 PolarHBondContact O-N 2.84Å; A270-E274 HydrophobicContact CB-CB 4.44Å; A270-E274 WeakPolarHBondContact O-CB 3.36Å; A270-E274 PolarHBondContact O-N 2.75Å; A270-I323 HydrophobicContact CB-CD1 4.17Å |
| 271 | A | 97.3 | Very high | 95.6 | Very high | 80 Ų | 80 | 53.6 Ų | 53.6 | 66% | 0.661 | 31% | 0.313 | S | S | * | . | H | α-helix | trans | -60.5 | -28.1 | 177.9 | 0 | 0 | 0 | 0 | 0 | 114.1 | A267 R268 V269 | A267-A271 WeakPolarHBondContact O-CB 3.25Å; A267-A271 PolarHBondContact O-N 2.96Å; R268-A271 PolarHBondContact O-N 3.46Å; V269-A271 VanDerWaalsContact C-N 3.33Å; V269-A271 PolarHBondContact O-N 2.88Å |
| 272 | L | 97.1 | Very high | 95.9 | Very high | 46 Ų | 46 | 54.3 Ų | 54.3 | 24% | 0.241 | 31% | 0.306 | C | S | . | . | H | α-helix | trans | -89.6 | -37.2 | 179.1 | -67.3 | 174.9 | 0 | 0 | 0 | 112.9 | R268 V269 A270 R276 T300 T303 L304 | R268-L272 WeakPolarHBondContact O-CG 3.35Å; R268-L272 PolarHBondContact O-N 3.41Å; V269-L272 PolarHBondContact O-N 2.97Å; V269-L272 VanDerWaalsContact O-N 3.09Å; A270-L272 PolarHBondContact O-N 3.19Å; L272-R276 VanDerWaalsContact O-CD 3.27Å; L272-R276 WeakPolarHBondContact O-CD 3.45Å; L272-T300 HydrophobicContact CB-CG2 4.02Å; L272-T300 HydrophobicContact CD1-CG2 4.29Å; L272-T303 HydrophobicContact CD1-CG2 4.23Å; L272-L304 HydrophobicContact CD1-CD1 4.47Å; L272-L304 HydrophobicContact CD1-CD2 3.76Å; L272-L304 HydrophobicContact CD1-CG 3.95Å |
| 273 | A | 97.7 | Very high | 96 | Very high | 0 Ų | 0 | 53.1 Ų | 53.1 | 0% | 0 | 30% | 0.299 | C | S | . | . | H | α-helix | trans | -111.7 | -33.1 | -165.8 | 0 | 0 | 0 | 0 | 0 | 114.5 | V269 A270 A275 R276 L277 I296 T300 L320 | V269-A273 WeakPolarHBondContact O-CB 3.37Å; V269-A273 PolarHBondContact O-N 3.07Å; A270-A273 PolarHBondContact O-N 2.84Å; A273-A275 PolarHBondContact O-N 3.02Å; A273-R276 CarbonylContact O-C 3.39Å; A273-R276 WeakPolarHBondContact O-CB 3.17Å; A273-R276 PolarHBondContact O-N 3.44Å; A273-R276 VanDerWaalsContact O-N 3.08Å; A273-L277 HydrophobicContact CB-CD1 3.98Å; A273-L277 HydrophobicContact CB-CG 4.36Å; A273-L277 WeakPolarHBondContact O-CB 3.34Å; A273-L277 WeakPolarHBondContact O-CG 3.15Å; A273-L277 PolarHBondContact O-N 2.97Å; A273-I296 HydrophobicContact CB-CG2 4.24Å; A273-T300 HydrophobicContact CB-CG2 4.17Å; A273-L320 HydrophobicContact CB-CD2 3.61Å |
| 274 | E | 97.4 | Very high | 95.9 | Very high | 97 Ų | 97 | 50.6 Ų | 50.6 | 45% | 0.453 | 29% | 0.293 | S | S | . | . | H | α-helix | trans | -59.3 | -49.3 | -165.3 | -175.9 | 178.7 | -174.3 | 0 | 0 | 113 | A270 R276 L277 S278 I323 V327 | A270-E274 HydrophobicContact CB-CB 4.44Å; A270-E274 WeakPolarHBondContact O-CB 3.36Å; A270-E274 PolarHBondContact O-N 2.75Å; E274-R276 VanDerWaalsContact C-N 3.32Å; E274-R276 PolarHBondContact O-N 2.93Å; E274-L277 PolarHBondContact O-N 3.17Å; E274-S278 WeakPolarHBondContact O-CB 3.36Å; E274-S278 PolarHBondContact O-N 2.79Å; E274-I323 HydrophobicContact CB-CG2 3.94Å; E274-I323 HydrophobicContact CG-CG2 4.02Å; E274-V327 HydrophobicContact CG-CG2 4.15Å |
| 275 | A | 97 | Very high | 95.7 | Very high | 72 Ų | 72 | 50.3 Ų | 50.3 | 60% | 0.595 | 28% | 0.281 | S | S | * | . | H | α-helix | trans | -62.3 | -40.9 | 177.6 | 0 | 0 | 0 | 0 | 0 | 111.9 | A273 S278 D279 | A273-A275 PolarHBondContact O-N 3.02Å; A275-S278 WeakPolarHBondContact O-CB 3.47Å; A275-S278 PolarHBondContact O-N 2.8Å; A275-D279 PolarHBondContact O-N 2.7Å |
| 276 | R | 97.9 | Very high | 95.3 | Very high | 83 Ų | 83 | 51.4 Ų | 51.4 | 31% | 0.313 | 29% | 0.285 | S | S | . | . | H | α-helix | trans | -67 | -41.7 | 179.2 | -59.7 | 176.6 | 62.3 | -173.3 | -0.3 | 111.5 | L272 A273 E274 D279 A280 I296 E299 | L272-R276 VanDerWaalsContact O-CD 3.27Å; L272-R276 WeakPolarHBondContact O-CD 3.45Å; A273-R276 CarbonylContact O-C 3.39Å; A273-R276 WeakPolarHBondContact O-CB 3.17Å; A273-R276 PolarHBondContact O-N 3.44Å; A273-R276 VanDerWaalsContact O-N 3.08Å; E274-R276 VanDerWaalsContact C-N 3.32Å; E274-R276 PolarHBondContact O-N 2.93Å; R276-D279 PolarHBondContact O-N 3.06Å; R276-A280 WeakPolarHBondContact O-CB 3.27Å; R276-A280 PolarHBondContact O-N 3.42Å; R276-I296 HydrophobicContact CB-CD1 3.87Å; R276-I296 HydrophobicContact CB-CG1 4.06Å; R276-I296 HydrophobicContact CB-CG2 4.07Å; R276-I296 WeakPolarHBondContact O-CD1 3.45Å; R276-E299 IonicContact CZ-OE2 2.63Å; R276-E299 IonicContact NH1-OE2 3.09Å; R276-E299 PolarHBondContact NH1-OE2 2.63Å; R276-E299 VanDerWaalsContact NH1-OE2 3.09Å; R276-E299 IonicContact NH2-OE2 3.42Å; R276-E299 PolarHBondContact NH2-OE2 3.07Å |
| 277 | L | 97 | Very high | 95 | Very high | 0 Ų | 0 | 56.6 Ų | 56.6 | 0% | 0 | 31% | 0.309 | C | S | . | . | H | α-helix | trans | -65.6 | -42.4 | 175 | -71.5 | 172.9 | 0 | 0 | 0 | 110.3 | A273 E274 D279 A280 Y281 V293 I296 L320 I323 E324 | A273-L277 HydrophobicContact CB-CD1 3.98Å; A273-L277 HydrophobicContact CB-CG 4.36Å; A273-L277 WeakPolarHBondContact O-CB 3.34Å; A273-L277 WeakPolarHBondContact O-CG 3.15Å; A273-L277 PolarHBondContact O-N 2.97Å; E274-L277 PolarHBondContact O-N 3.17Å; L277-D279 VanDerWaalsContact C-N 3.28Å; L277-D279 PolarHBondContact O-N 2.9Å; L277-A280 PolarHBondContact O-N 3.47Å; L277-A280 VanDerWaalsContact O-N 3.16Å; L277-Y281 VanDerWaalsContact O-CD2 3.28Å; L277-Y281 WeakPolarHBondContact O-CD2 3.45Å; L277-Y281 PolarHBondContact O-N 2.98Å; L277-V293 HydrophobicContact CD2-CG1 4.28Å; L277-V293 HydrophobicContact CD2-CG2 4.35Å; L277-I296 HydrophobicContact CD2-CB 4.26Å; L277-I296 HydrophobicContact CD2-CD1 4.28Å; L277-I296 HydrophobicContact CD2-CG2 3.86Å; L277-I296 HydrophobicContact CG-CG2 3.98Å; L277-L320 HydrophobicContact CD1-CD2 4.36Å; L277-I323 HydrophobicContact CD1-CB 4.28Å; L277-I323 HydrophobicContact CD1-CG2 3.75Å; L277-E324 HydrophobicContact CD1-CG 3.96Å; L277-E324 HydrophobicContact CD2-CG 4.16Å |
| 278 | S | 95.1 | Very high | 94.8 | Very high | 27 Ų | 27 | 59.4 Ų | 59.4 | 19% | 0.189 | 31% | 0.311 | C | S | . | . | H | α-helix | trans | -53.2 | -46.2 | 173.1 | -168.6 | 0 | 0 | 0 | 0 | 111.8 | E274 A275 R282 | E274-S278 WeakPolarHBondContact O-CB 3.36Å; E274-S278 PolarHBondContact O-N 2.79Å; A275-S278 WeakPolarHBondContact O-CB 3.47Å; A275-S278 PolarHBondContact O-N 2.8Å; S278-R282 PolarHBondContact O-NH1 3.39Å; S278-R282 PolarHBondContact OG-NH1 3.26Å; S278-R282 PolarHBondContact OG-NH2 2.86Å |
| 279 | D | 95.3 | Very high | 94.6 | Very high | 99 Ų | 99 | 54.7 Ų | 54.7 | 53% | 0.529 | 29% | 0.293 | S | S | . | . | H | α-helix | trans | -69.4 | -40.6 | 176.5 | -69.7 | -21.3 | 0 | 0 | 0 | 112.8 | A275 R276 L277 Y281 R282 | A275-D279 PolarHBondContact O-N 2.7Å; R276-D279 PolarHBondContact O-N 3.06Å; L277-D279 VanDerWaalsContact C-N 3.28Å; L277-D279 PolarHBondContact O-N 2.9Å; D279-Y281 VanDerWaalsContact C-N 3.33Å; D279-Y281 PolarHBondContact O-N 3.48Å; D279-R282 WeakPolarHBondContact O-CB 3.48Å; D279-R282 PolarHBondContact O-N 2.82Å; D279-R282 IonicContact OD1-CZ 2.83Å; D279-R282 IonicContact OD1-NH1 3.67Å; D279-R282 PolarHBondContact OD1-NH1 2.95Å |
| 280 | A | 96 | Very high | 94.4 | Very high | 3 Ų | 3 | 59 Ų | 59 | 3% | 0.025 | 31% | 0.31 | C | S | . | . | H | α-helix | trans | -61.4 | -40.3 | 176.7 | 0 | 0 | 0 | 0 | 0 | 112.2 | R276 L277 R282 I283 Q292 V293 I296 | R276-A280 WeakPolarHBondContact O-CB 3.27Å; R276-A280 PolarHBondContact O-N 3.42Å; L277-A280 PolarHBondContact O-N 3.47Å; L277-A280 VanDerWaalsContact O-N 3.16Å; A280-R282 PolarHBondContact O-N 3.15Å; A280-R282 VanDerWaalsContact O-N 3.11Å; A280-I283 VanDerWaalsContact O-CB 3.24Å; A280-I283 WeakPolarHBondContact O-CB 3.26Å; A280-I283 WeakPolarHBondContact O-CG1 3.37Å; A280-I283 PolarHBondContact O-N 2.82Å; A280-Q292 HydrophobicContact CB-CB 4.36Å; A280-Q292 HydrophobicContact CB-CG 3.78Å; A280-V293 HydrophobicContact CB-CG2 4.01Å; A280-I296 HydrophobicContact CB-CD1 3.65Å |
| 281 | Y | 94.6 | Very high | 94.3 | Very high | 9 Ų | 9 | 60.5 Ų | 60.5 | 4% | 0.035 | 32% | 0.322 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -71.7 | 2.1 | 175.4 | -82 | -76 | 0 | 0 | 0 | 113.9 | L277 D279 V293 E324 V327 V328 R331 I339 L511 | L277-Y281 VanDerWaalsContact O-CD2 3.28Å; L277-Y281 WeakPolarHBondContact O-CD2 3.45Å; L277-Y281 PolarHBondContact O-N 2.98Å; D279-Y281 VanDerWaalsContact C-N 3.33Å; D279-Y281 PolarHBondContact O-N 3.48Å; Y281-V293 HydrophobicContact CE2-CG2 4.12Å; Y281-E324 HydrophobicContact CE2-CB 3.87Å; Y281-E324 HydrophobicContact CE2-CG 3.85Å; Y281-E324 PolarHBondContact OH-OE2 2.99Å; Y281-V327 HydrophobicContact CD2-CG1 4.2Å; Y281-V328 HydrophobicContact CD1-CG2 3.46Å; Y281-V328 VanDerWaalsContact CD1-CG2 3.46Å; Y281-V328 HydrophobicContact CD2-CG2 4.17Å; Y281-V328 HydrophobicContact CE1-CG2 3.61Å; Y281-V328 HydrophobicContact CE2-CG2 4.33Å; Y281-V328 HydrophobicContact CG-CG2 3.77Å; Y281-R331 VanDerWaalsContact C-NH1 3.25Å; Y281-R331 PolarHBondContact O-NH1 2.89Å; Y281-I339 HydrophobicContact CD1-CD1 4.15Å; Y281-I339 HydrophobicContact CD1-CG1 4.4Å; Y281-I339 HydrophobicContact CE1-CD1 4.44Å; Y281-L511 HydrophobicContact CE1-CD1 4.47Å |
| 282 | R | 93.2 | Very high | 94.3 | Very high | 109 Ų | 109 | 60.3 Ų | 60.3 | 41% | 0.411 | 31% | 0.308 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -92.5 | -10.1 | 165.7 | -64.3 | 175.1 | 173.2 | 92.6 | 16.9 | 112.8 | S278 D279 A280 T284 E336 | S278-R282 PolarHBondContact O-NH1 3.39Å; S278-R282 PolarHBondContact OG-NH1 3.26Å; S278-R282 PolarHBondContact OG-NH2 2.86Å; D279-R282 WeakPolarHBondContact O-CB 3.48Å; D279-R282 PolarHBondContact O-N 2.82Å; D279-R282 IonicContact OD1-CZ 2.83Å; D279-R282 IonicContact OD1-NH1 3.67Å; D279-R282 PolarHBondContact OD1-NH1 2.95Å; A280-R282 PolarHBondContact O-N 3.15Å; A280-R282 VanDerWaalsContact O-N 3.11Å; R282-T284 PolarHBondContact O-N 3.47Å; R282-E336 IonicContact NH2-OE2 3.42Å |
| 283 | I | 93.7 | Very high | 94.3 | Very high | 39 Ų | 39 | 58.4 Ų | 58.4 | 20% | 0.2 | 30% | 0.298 | C | S | . | . | trans | -73.1 | 117.7 | 172.5 | -58.6 | 170.8 | 0 | 0 | 0 | 108 | A280 E288 R289 Q292 | A280-I283 VanDerWaalsContact O-CB 3.24Å; A280-I283 WeakPolarHBondContact O-CB 3.26Å; A280-I283 WeakPolarHBondContact O-CG1 3.37Å; A280-I283 PolarHBondContact O-N 2.82Å; I283-E288 HydrophobicContact CG2-CB 3.84Å; I283-E288 HydrophobicContact CG2-CG 3.84Å; I283-R289 HydrophobicContact CB-CB 4.06Å; I283-R289 HydrophobicContact CG2-CB 4.13Å; I283-R289 PolarHBondContact O-NH1 2.86Å; I283-Q292 HydrophobicContact CD1-CB 3.84Å; I283-Q292 HydrophobicContact CD1-CG 3.88Å | ||
| 284 | T | 90.9 | Very high | 94.2 | Very high | 83 Ų | 83 | 62.8 Ų | 62.8 | 51% | 0.509 | 32% | 0.322 | S | S | . | . | trans | -76.1 | -38.5 | -174.2 | 53.8 | 0 | 0 | 0 | 0 | 112.5 | R282 K286 R289 | R282-T284 PolarHBondContact O-N 3.47Å; T284-K286 PolarHBondContact O-N 3.38Å; T284-R289 PolarHBondContact O-NH1 3.47Å | ||
| 285 | D | 89.7 | Confident | 94.2 | Very high | 71 Ų | 71 | 61.2 Ų | 61.2 | 38% | 0.38 | 32% | 0.318 | S | S | . | . | S | Bend | trans | -64.9 | 127.9 | 177.2 | -177.9 | -85.2 | 0 | 0 | 0 | 110.6 | Q287 E288 R289 | D285-Q287 PolarHBondContact OD1-N 2.85Å; D285-E288 HydrophobicContact CB-CB 4.03Å; D285-E288 PolarHBondContact OD1-N 3.25Å; D285-R289 WeakPolarHBondContact O-CB 3.37Å; D285-R289 PolarHBondContact O-N 3Å; D285-R289 PolarHBondContact O-NH1 3.2Å |
| 286 | K | 87.2 | Confident | 94.3 | Very high | 33 Ų | 33 | 57.8 Ų | 57.8 | 14% | 0.143 | 29% | 0.29 | C | S | . | . | H | α-helix | trans | -64.2 | -44.8 | -174.4 | -177.6 | -170.7 | 176.6 | -168.9 | 0 | 112.2 | T284 Y290 E370 S457 N458 | T284-K286 PolarHBondContact O-N 3.38Å; K286-Y290 HydrophobicContact CG-CD1 4.3Å; K286-Y290 HydrophobicContact CG-CE1 4.15Å; K286-Y290 WeakPolarHBondContact O-CB 3.48Å; K286-Y290 VanDerWaalsContact O-CD1 3.27Å; K286-Y290 WeakPolarHBondContact O-CD1 3.3Å; K286-Y290 PolarHBondContact O-N 3.34Å; K286-E370 WeakPolarHBondContact CB-OE1 3.1Å; K286-S457 PolarHBondContact NZ-O 3.08Å; K286-N458 HydrophobicContact CD-CB 4.33Å |
| 287 | Q | 88.8 | Confident | 94.3 | Very high | 152 Ų | 152 | 56.2 Ų | 56.2 | 71% | 0.71 | 29% | 0.286 | S | S | * | . | H | α-helix | trans | -72.3 | -42 | -174.4 | -66.9 | -173.7 | -3.3 | 0 | 0 | 111.1 | D285 Y290 A291 | D285-Q287 PolarHBondContact OD1-N 2.85Å; Q287-Y290 PolarHBondContact O-N 2.85Å; Q287-A291 WeakPolarHBondContact O-CB 3.33Å; Q287-A291 PolarHBondContact O-N 3.31Å |
| 288 | E | 92.8 | Very high | 94.3 | Very high | 122 Ų | 122 | 60 Ų | 60 | 57% | 0.57 | 31% | 0.312 | S | S | * | . | H | α-helix | trans | -62.8 | -43.5 | 174.8 | -170 | 179.8 | -179 | 0 | 0 | 111.2 | I283 D285 A291 Q292 | I283-E288 HydrophobicContact CG2-CB 3.84Å; I283-E288 HydrophobicContact CG2-CG 3.84Å; D285-E288 HydrophobicContact CB-CB 4.03Å; D285-E288 PolarHBondContact OD1-N 3.25Å; E288-A291 PolarHBondContact O-N 2.83Å; E288-Q292 WeakPolarHBondContact O-CB 3.35Å; E288-Q292 PolarHBondContact O-N 2.99Å |
| 289 | R | 94.6 | Very high | 94.4 | Very high | 1 Ų | 1 | 63.1 Ų | 63.1 | 0% | 0.004 | 32% | 0.324 | C | S | . | . | H | α-helix | trans | -59.6 | -48.7 | 175 | 178.4 | 171.6 | 62.9 | -97.1 | 1.4 | 111.6 | I283 T284 D285 Q292 V293 D507 | I283-R289 HydrophobicContact CB-CB 4.06Å; I283-R289 HydrophobicContact CG2-CB 4.13Å; I283-R289 PolarHBondContact O-NH1 2.86Å; T284-R289 PolarHBondContact O-NH1 3.47Å; D285-R289 WeakPolarHBondContact O-CB 3.37Å; D285-R289 PolarHBondContact O-N 3Å; D285-R289 PolarHBondContact O-NH1 3.2Å; R289-Q292 PolarHBondContact O-N 2.81Å; R289-V293 HydrophobicContact CG-CG2 4.36Å; R289-V293 WeakPolarHBondContact O-CB 3.46Å; R289-V293 VanDerWaalsContact O-CG2 3.31Å; R289-V293 WeakPolarHBondContact O-CG2 3.34Å; R289-V293 PolarHBondContact O-N 3.02Å; R289-D507 IonicContact CZ-OD2 3.33Å; R289-D507 IonicContact NE-OD2 3.85Å; R289-D507 PolarHBondContact NE-OD2 3.46Å; R289-D507 IonicContact NH2-OD2 3.77Å; R289-D507 PolarHBondContact NH2-OD2 2.9Å |
| 290 | Y | 92.4 | Very high | 94.6 | Very high | 90 Ų | 90 | 58.5 Ų | 58.5 | 35% | 0.353 | 30% | 0.299 | S | S | . | . | H | α-helix | trans | -63.3 | -45.1 | -178.6 | -83.3 | 30.2 | 0 | 0 | 0 | 111 | K286 Q287 Q292 V293 D294 D507 | K286-Y290 HydrophobicContact CG-CD1 4.3Å; K286-Y290 HydrophobicContact CG-CE1 4.15Å; K286-Y290 WeakPolarHBondContact O-CB 3.48Å; K286-Y290 VanDerWaalsContact O-CD1 3.27Å; K286-Y290 WeakPolarHBondContact O-CD1 3.3Å; K286-Y290 PolarHBondContact O-N 3.34Å; Q287-Y290 PolarHBondContact O-N 2.85Å; Y290-Q292 VanDerWaalsContact C-N 3.3Å; Y290-Q292 PolarHBondContact O-N 3.34Å; Y290-V293 PolarHBondContact O-N 2.77Å; Y290-D294 WeakPolarHBondContact O-CB 3.47Å; Y290-D294 VanDerWaalsContact O-CG 3.28Å; Y290-D294 PolarHBondContact O-N 2.85Å; Y290-D507 WeakPolarHBondContact CE1-OD1 3.45Å; Y290-D507 VanDerWaalsContact CZ-OD1 3.25Å; Y290-D507 PolarHBondContact OH-OD1 3.32Å |
| 291 | A | 94.9 | Very high | 94.6 | Very high | 54 Ų | 54 | 59.4 Ų | 59.4 | 45% | 0.446 | 30% | 0.303 | S | S | . | . | H | α-helix | trans | -59 | -42.2 | 175.4 | 0 | 0 | 0 | 0 | 0 | 111.9 | Q287 E288 D294 V295 | Q287-A291 WeakPolarHBondContact O-CB 3.33Å; Q287-A291 PolarHBondContact O-N 3.31Å; E288-A291 PolarHBondContact O-N 2.83Å; A291-D294 PolarHBondContact O-N 3.41Å; A291-V295 VanDerWaalsContact O-CG2 3.3Å; A291-V295 WeakPolarHBondContact O-CG2 3.13Å; A291-V295 PolarHBondContact O-N 3.36Å |
| 292 | Q | 97.4 | Very high | 94.8 | Very high | 76 Ų | 76 | 61.8 Ų | 61.8 | 36% | 0.355 | 33% | 0.325 | S | S | . | . | H | α-helix | trans | -67.7 | -41.6 | 177.8 | -176.2 | 61 | 18.8 | 0 | 0 | 112.2 | A280 I283 E288 R289 Y290 V295 I296 | A280-Q292 HydrophobicContact CB-CB 4.36Å; A280-Q292 HydrophobicContact CB-CG 3.78Å; I283-Q292 HydrophobicContact CD1-CB 3.84Å; I283-Q292 HydrophobicContact CD1-CG 3.88Å; E288-Q292 WeakPolarHBondContact O-CB 3.35Å; E288-Q292 PolarHBondContact O-N 2.99Å; R289-Q292 PolarHBondContact O-N 2.81Å; Y290-Q292 VanDerWaalsContact C-N 3.3Å; Y290-Q292 PolarHBondContact O-N 3.34Å; Q292-V295 PolarHBondContact O-N 3.15Å; Q292-I296 HydrophobicContact CG-CD1 4Å; Q292-I296 WeakPolarHBondContact O-CD1 3.37Å; Q292-I296 WeakPolarHBondContact O-CG1 3.24Å; Q292-I296 PolarHBondContact O-N 3Å |
| 293 | V | 96.4 | Very high | 95 | Very high | 6 Ų | 6 | 59.6 Ų | 59.6 | 4% | 0.036 | 32% | 0.323 | C | S | . | . | H | α-helix | trans | -61 | -45 | 174.7 | 166.9 | 0 | 0 | 0 | 0 | 110.5 | L277 A280 Y281 R289 Y290 V295 I296 K297 E324 | L277-V293 HydrophobicContact CD2-CG1 4.28Å; L277-V293 HydrophobicContact CD2-CG2 4.35Å; A280-V293 HydrophobicContact CB-CG2 4.01Å; Y281-V293 HydrophobicContact CE2-CG2 4.12Å; R289-V293 HydrophobicContact CG-CG2 4.36Å; R289-V293 WeakPolarHBondContact O-CB 3.46Å; R289-V293 VanDerWaalsContact O-CG2 3.31Å; R289-V293 WeakPolarHBondContact O-CG2 3.34Å; R289-V293 PolarHBondContact O-N 3.02Å; Y290-V293 PolarHBondContact O-N 2.77Å; V293-V295 PolarHBondContact O-N 3.41Å; V293-I296 PolarHBondContact O-N 3.31Å; V293-K297 HydrophobicContact CG1-CD 4.04Å; V293-K297 HydrophobicContact CG1-CG 4.37Å; V293-K297 WeakPolarHBondContact O-CG 3.49Å; V293-K297 PolarHBondContact O-N 3.34Å; V293-E324 VanDerWaalsContact CG1-OE2 3.25Å; V293-E324 WeakPolarHBondContact CG1-OE2 3.28Å |
| 294 | D | 96.4 | Very high | 95.1 | Very high | 93 Ų | 93 | 57.9 Ų | 57.9 | 50% | 0.497 | 32% | 0.315 | S | S | . | . | H | α-helix | trans | -62 | -43.1 | 178.6 | -73 | -17.5 | 0 | 0 | 0 | 111.9 | Y290 A291 K297 S298 | Y290-D294 WeakPolarHBondContact O-CB 3.47Å; Y290-D294 VanDerWaalsContact O-CG 3.28Å; Y290-D294 PolarHBondContact O-N 2.85Å; A291-D294 PolarHBondContact O-N 3.41Å; D294-K297 PolarHBondContact O-N 3.48Å; D294-S298 WeakPolarHBondContact O-CB 3.45Å; D294-S298 PolarHBondContact O-N 2.97Å; D294-S298 PolarHBondContact O-OG 3.32Å |
| 295 | V | 97.8 | Very high | 95.4 | Very high | 63 Ų | 63 | 56.4 Ų | 56.4 | 38% | 0.382 | 30% | 0.303 | S | S | . | . | H | α-helix | trans | -59.2 | -47.5 | 173.3 | 168.6 | 0 | 0 | 0 | 0 | 110.8 | A291 Q292 V293 K297 S298 E299 | A291-V295 VanDerWaalsContact O-CG2 3.3Å; A291-V295 WeakPolarHBondContact O-CG2 3.13Å; A291-V295 PolarHBondContact O-N 3.36Å; Q292-V295 PolarHBondContact O-N 3.15Å; V293-V295 PolarHBondContact O-N 3.41Å; V295-K297 VanDerWaalsContact C-N 3.34Å; V295-K297 PolarHBondContact O-N 2.89Å; V295-S298 PolarHBondContact O-N 2.93Å; V295-E299 HydrophobicContact CG1-CG 4.34Å; V295-E299 WeakPolarHBondContact O-CB 3.38Å; V295-E299 WeakPolarHBondContact O-CG 3.46Å; V295-E299 PolarHBondContact O-N 2.9Å |
| 296 | I | 97.9 | Very high | 95.7 | Very high | 0 Ų | 0 | 57.2 Ų | 57.2 | 0% | 0 | 32% | 0.32 | C | S | . | . | H | α-helix | trans | -60.8 | -44.7 | 179.2 | -67.3 | 160 | 0 | 0 | 0 | 110.8 | A273 R276 L277 A280 Q292 V293 T300 | A273-I296 HydrophobicContact CB-CG2 4.24Å; R276-I296 HydrophobicContact CB-CD1 3.87Å; R276-I296 HydrophobicContact CB-CG1 4.06Å; R276-I296 HydrophobicContact CB-CG2 4.07Å; R276-I296 WeakPolarHBondContact O-CD1 3.45Å; L277-I296 HydrophobicContact CD2-CB 4.26Å; L277-I296 HydrophobicContact CD2-CD1 4.28Å; L277-I296 HydrophobicContact CD2-CG2 3.86Å; L277-I296 HydrophobicContact CG-CG2 3.98Å; A280-I296 HydrophobicContact CB-CD1 3.65Å; Q292-I296 HydrophobicContact CG-CD1 4Å; Q292-I296 WeakPolarHBondContact O-CD1 3.37Å; Q292-I296 WeakPolarHBondContact O-CG1 3.24Å; Q292-I296 PolarHBondContact O-N 3Å; V293-I296 PolarHBondContact O-N 3.31Å; I296-T300 VanDerWaalsContact O-CB 3.25Å; I296-T300 WeakPolarHBondContact O-CB 3.38Å; I296-T300 PolarHBondContact O-N 3.42Å; I296-T300 PolarHBondContact O-OG1 3.39Å |
| 297 | K | 97.8 | Very high | 96.1 | Very high | 51 Ų | 51 | 60.7 Ų | 60.7 | 22% | 0.222 | 34% | 0.337 | C | S | . | . | H | α-helix | trans | -62.2 | -52.8 | 178.3 | -72.3 | 178.5 | 175 | 176.6 | 0 | 111.3 | V293 D294 V295 E299 T300 I301 L320 E324 | V293-K297 HydrophobicContact CG1-CD 4.04Å; V293-K297 HydrophobicContact CG1-CG 4.37Å; V293-K297 WeakPolarHBondContact O-CG 3.49Å; V293-K297 PolarHBondContact O-N 3.34Å; D294-K297 PolarHBondContact O-N 3.48Å; V295-K297 VanDerWaalsContact C-N 3.34Å; V295-K297 PolarHBondContact O-N 2.89Å; K297-E299 PolarHBondContact O-N 3.43Å; K297-T300 PolarHBondContact O-N 3.36Å; K297-I301 WeakPolarHBondContact O-CB 3.33Å; K297-I301 VanDerWaalsContact O-CG1 3.29Å; K297-I301 WeakPolarHBondContact O-CG1 3.2Å; K297-I301 PolarHBondContact O-N 2.88Å; K297-L320 HydrophobicContact CB-CD1 4.16Å; K297-L320 HydrophobicContact CG-CB 4.46Å; K297-L320 HydrophobicContact CG-CD1 4.1Å; K297-E324 WeakPolarHBondContact CE-OE1 3.32Å; K297-E324 VanDerWaalsContact NZ-CD 3.31Å; K297-E324 IonicContact NZ-OE1 3.32Å; K297-E324 PolarHBondContact NZ-OE1 2.88Å; K297-E324 IonicContact NZ-OE2 2.69Å; K297-E324 PolarHBondContact NZ-OE2 3.37Å |
| 298 | S | 97.4 | Very high | 96.3 | Very high | 80 Ų | 80 | 56.7 Ų | 56.7 | 56% | 0.559 | 32% | 0.32 | S | S | * | . | H | α-helix | trans | -59.8 | -44.3 | -179.2 | -71.2 | 0 | 0 | 0 | 0 | 112.3 | D294 V295 A302 | D294-S298 WeakPolarHBondContact O-CB 3.45Å; D294-S298 PolarHBondContact O-N 2.97Å; D294-S298 PolarHBondContact O-OG 3.32Å; V295-S298 PolarHBondContact O-N 2.93Å; S298-A302 VanDerWaalsContact O-CB 3.24Å; S298-A302 WeakPolarHBondContact O-CB 3.45Å; S298-A302 PolarHBondContact O-N 3.34Å |
| 299 | E | 98 | Very high | 96.3 | Very high | 92 Ų | 92 | 59.2 Ų | 59.2 | 43% | 0.43 | 33% | 0.332 | S | S | . | . | H | α-helix | trans | -68.1 | -38.2 | 177.7 | -73 | -179.5 | 172.8 | 0 | 0 | 112.6 | R276 V295 K297 T303 | R276-E299 IonicContact CZ-OE2 2.63Å; R276-E299 IonicContact NH1-OE2 3.09Å; R276-E299 PolarHBondContact NH1-OE2 2.63Å; R276-E299 VanDerWaalsContact NH1-OE2 3.09Å; R276-E299 IonicContact NH2-OE2 3.42Å; R276-E299 PolarHBondContact NH2-OE2 3.07Å; V295-E299 HydrophobicContact CG1-CG 4.34Å; V295-E299 WeakPolarHBondContact O-CB 3.38Å; V295-E299 WeakPolarHBondContact O-CG 3.46Å; V295-E299 PolarHBondContact O-N 2.9Å; K297-E299 PolarHBondContact O-N 3.43Å; E299-T303 WeakPolarHBondContact O-CB 3.12Å; E299-T303 PolarHBondContact O-N 2.88Å; E299-T303 PolarHBondContact O-OG1 3.24Å |
| 300 | T | 97.9 | Very high | 96.2 | Very high | 2 Ų | 2 | 64.6 Ų | 64.6 | 1% | 0.012 | 37% | 0.365 | C | S | . | . | H | α-helix | trans | -65.2 | -47.9 | 177.5 | -58 | 0 | 0 | 0 | 0 | 110.3 | V269 L272 A273 I296 K297 T303 L304 L320 | V269-T300 HydrophobicContact CG1-CG2 4.28Å; L272-T300 HydrophobicContact CB-CG2 4.02Å; L272-T300 HydrophobicContact CD1-CG2 4.29Å; A273-T300 HydrophobicContact CB-CG2 4.17Å; I296-T300 VanDerWaalsContact O-CB 3.25Å; I296-T300 WeakPolarHBondContact O-CB 3.38Å; I296-T300 PolarHBondContact O-N 3.42Å; I296-T300 PolarHBondContact O-OG1 3.39Å; K297-T300 PolarHBondContact O-N 3.36Å; T300-T303 PolarHBondContact O-N 3Å; T300-L304 HydrophobicContact CG2-CD1 3.88Å; T300-L304 VanDerWaalsContact O-CG 3.31Å; T300-L304 WeakPolarHBondContact O-CG 3.42Å; T300-L304 PolarHBondContact O-N 3.5Å; T300-L320 HydrophobicContact CG2-CD2 4.18Å |
| 301 | I | 97.5 | Very high | 96.3 | Very high | 22 Ų | 22 | 61.9 Ų | 61.9 | 11% | 0.113 | 36% | 0.356 | C | S | . | . | H | α-helix | trans | -59.2 | -49.4 | 176 | -70.4 | 169.1 | 0 | 0 | 0 | 110.4 | K297 T303 L304 L305 E313 L316 L320 | K297-I301 WeakPolarHBondContact O-CB 3.33Å; K297-I301 VanDerWaalsContact O-CG1 3.29Å; K297-I301 WeakPolarHBondContact O-CG1 3.2Å; K297-I301 PolarHBondContact O-N 2.88Å; I301-T303 VanDerWaalsContact C-N 3.3Å; I301-T303 PolarHBondContact O-N 3.46Å; I301-L304 PolarHBondContact O-N 3.22Å; I301-L305 HydrophobicContact CG2-CD1 3.66Å; I301-L305 HydrophobicContact CG2-CG 4.3Å; I301-L305 WeakPolarHBondContact O-CB 3.42Å; I301-L305 WeakPolarHBondContact O-CG 3.29Å; I301-L305 PolarHBondContact O-N 3.47Å; I301-E313 HydrophobicContact CD1-CG 4.45Å; I301-E313 HydrophobicContact CG2-CG 3.93Å; I301-L316 HydrophobicContact CG1-CB 4.09Å; I301-L316 HydrophobicContact CG1-CD1 4.37Å; I301-L316 HydrophobicContact CG2-CD1 4.28Å; I301-L320 HydrophobicContact CD1-CD1 3.99Å; I301-L320 HydrophobicContact CG1-CD1 3.81Å |
| 302 | A | 97.2 | Very high | 96 | Very high | 59 Ų | 59 | 63.3 Ų | 63.3 | 49% | 0.488 | 36% | 0.357 | S | S | . | . | H | α-helix | trans | -61.1 | -37.9 | 179.3 | 0 | 0 | 0 | 0 | 0 | 112.8 | S298 A306 | S298-A302 VanDerWaalsContact O-CB 3.24Å; S298-A302 WeakPolarHBondContact O-CB 3.45Å; S298-A302 PolarHBondContact O-N 3.34Å; A302-A306 WeakPolarHBondContact O-CB 3.43Å; A302-A306 PolarHBondContact O-N 3.08Å; A302-A306 VanDerWaalsContact O-N 3.1Å |
| 303 | T | 97.6 | Very high | 95.6 | Very high | 62 Ų | 62 | 65.3 Ų | 65.3 | 38% | 0.38 | 37% | 0.366 | S | S | . | . | H | α-helix | trans | -65.3 | -45.4 | 176.2 | -58.8 | 0 | 0 | 0 | 0 | 111.1 | L272 E299 T300 I301 A306 E307 | L272-T303 HydrophobicContact CD1-CG2 4.23Å; E299-T303 WeakPolarHBondContact O-CB 3.12Å; E299-T303 PolarHBondContact O-N 2.88Å; E299-T303 PolarHBondContact O-OG1 3.24Å; T300-T303 PolarHBondContact O-N 3Å; I301-T303 VanDerWaalsContact C-N 3.3Å; I301-T303 PolarHBondContact O-N 3.46Å; T303-A306 PolarHBondContact O-N 3.01Å; T303-E307 WeakPolarHBondContact O-CG 3.47Å; T303-E307 PolarHBondContact O-N 3Å; T303-E307 VanDerWaalsContact O-N 3.14Å |
| 304 | L | 97.2 | Very high | 95.3 | Very high | 3 Ų | 3 | 69 Ų | 69 | 2% | 0.016 | 39% | 0.385 | C | S | . | . | H | α-helix | trans | -68.6 | -42.3 | -179 | -69.3 | 168.7 | 0 | 0 | 0 | 112.2 | R268 V269 L272 T300 I301 A306 E307 D308 L311 L316 | R268-L304 HydrophobicContact CG-CD2 3.6Å; V269-L304 HydrophobicContact CB-CD1 4.48Å; V269-L304 HydrophobicContact CG2-CD1 3.58Å; L272-L304 HydrophobicContact CD1-CD1 4.47Å; L272-L304 HydrophobicContact CD1-CD2 3.76Å; L272-L304 HydrophobicContact CD1-CG 3.95Å; T300-L304 HydrophobicContact CG2-CD1 3.88Å; T300-L304 VanDerWaalsContact O-CG 3.31Å; T300-L304 WeakPolarHBondContact O-CG 3.42Å; T300-L304 PolarHBondContact O-N 3.5Å; I301-L304 PolarHBondContact O-N 3.22Å; L304-A306 PolarHBondContact O-N 3.01Å; L304-E307 WeakPolarHBondContact O-CA 3.41Å; L304-E307 WeakPolarHBondContact O-CB 3.41Å; L304-E307 PolarHBondContact O-N 2.55Å; L304-D308 PolarHBondContact O-N 2.93Å; L304-L311 HydrophobicContact CB-CD1 3.98Å; L304-L316 HydrophobicContact CB-CD1 4.13Å; L304-L316 HydrophobicContact CD1-CD1 4.37Å; L304-L316 HydrophobicContact CD1-CD2 3.67Å |
| 305 | L | 96.5 | Very high | 95 | Very high | 52 Ų | 52 | 67.5 Ų | 67.5 | 27% | 0.272 | 38% | 0.375 | S | S | . | . | H | α-helix | trans | -67.1 | -24.8 | 175.5 | -70.2 | 173.6 | 0 | 0 | 0 | 112.9 | I301 D308 E309 L311 L316 | I301-L305 HydrophobicContact CG2-CD1 3.66Å; I301-L305 HydrophobicContact CG2-CG 4.3Å; I301-L305 WeakPolarHBondContact O-CB 3.42Å; I301-L305 WeakPolarHBondContact O-CG 3.29Å; I301-L305 PolarHBondContact O-N 3.47Å; L305-D308 WeakPolarHBondContact CA-O 3.44Å; L305-D308 CarbonylContact O-C 3.49Å; L305-E309 WeakPolarHBondContact O-CA 3.38Å; L305-E309 PolarHBondContact O-N 3.3Å; L305-L311 HydrophobicContact CD2-CB 4.09Å; L305-L311 WeakPolarHBondContact CD2-O 3.43Å; L305-L316 HydrophobicContact CD2-CD1 4.5Å; L305-L316 HydrophobicContact CG-CD1 4.35Å |
| 306 | A | 96.2 | Very high | 94.8 | Very high | 88 Ų | 88 | 64.5 Ų | 64.5 | 73% | 0.727 | 36% | 0.357 | S | S | * | . | H | α-helix | trans | -76.1 | -26.8 | 170.8 | 0 | 0 | 0 | 0 | 0 | 112.8 | A302 T303 L304 | A302-A306 WeakPolarHBondContact O-CB 3.43Å; A302-A306 PolarHBondContact O-N 3.08Å; A302-A306 VanDerWaalsContact O-N 3.1Å; T303-A306 PolarHBondContact O-N 3.01Å; L304-A306 PolarHBondContact O-N 3.01Å |
| 307 | E | 95 | Very high | 94.6 | Very high | 106 Ų | 106 | 65.9 Ų | 65.9 | 50% | 0.495 | 37% | 0.372 | S | S | . | . | H | α-helix | trans | -77.4 | -39 | 172.6 | -71.4 | 173.7 | -166.9 | 0 | 0 | 111.5 | R268 T303 L304 | R268-E307 IonicContact CZ-OE1 3.66Å; R268-E307 IonicContact CZ-OE2 3.55Å; R268-E307 IonicContact NE-OE1 3.86Å; R268-E307 IonicContact NE-OE2 3.02Å; R268-E307 PolarHBondContact NE-OE2 2.84Å; R268-E307 IonicContact NH2-OE1 2.67Å; R268-E307 PolarHBondContact NH2-OE1 3.32Å; R268-E307 IonicContact NH2-OE2 3.22Å; R268-E307 PolarHBondContact NH2-OE2 2.9Å; T303-E307 WeakPolarHBondContact O-CG 3.47Å; T303-E307 PolarHBondContact O-N 3Å; T303-E307 VanDerWaalsContact O-N 3.14Å; L304-E307 WeakPolarHBondContact O-CA 3.41Å; L304-E307 WeakPolarHBondContact O-CB 3.41Å; L304-E307 PolarHBondContact O-N 2.55Å |
| 308 | D | 94.4 | Very high | 94.3 | Very high | 68 Ų | 68 | 68.8 Ų | 68.8 | 36% | 0.364 | 39% | 0.386 | S | S | . | . | trans | -151.1 | 107.2 | 178.9 | -176.4 | -3.6 | 0 | 0 | 0 | 111.1 | L304 L305 T310 L311 | L304-D308 PolarHBondContact O-N 2.93Å; L305-D308 WeakPolarHBondContact CA-O 3.44Å; L305-D308 CarbonylContact O-C 3.49Å; D308-T310 VanDerWaalsContact CG-OG1 3.32Å; D308-T310 PolarHBondContact O-N 2.72Å; D308-T310 VanDerWaalsContact O-N 3.16Å; D308-T310 WeakPolarHBondContact OD1-CB 3.26Å; D308-T310 PolarHBondContact OD1-N 2.79Å; D308-T310 PolarHBondContact OD1-OG1 3.22Å; D308-T310 PolarHBondContact OD2-OG1 3.29Å; D308-L311 HydrophobicContact CB-CD1 4.05Å; D308-L311 HydrophobicContact CB-CG 3.95Å; D308-L311 WeakPolarHBondContact O-CG 3.39Å; D308-L311 PolarHBondContact O-N 2.81Å | ||
| 309 | E | 92.2 | Very high | 94.1 | Very high | 176 Ų | 176 | 65.4 Ų | 65.4 | 82% | 0.822 | 36% | 0.362 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -69.4 | -8 | -179.8 | 67.3 | 178.4 | -178.2 | 0 | 0 | 113.9 | L305 | L305-E309 WeakPolarHBondContact O-CA 3.38Å; L305-E309 PolarHBondContact O-N 3.3Å |
| 310 | T | 92.6 | Very high | 94.1 | Very high | 113 Ų | 113 | 61.1 Ų | 61.1 | 69% | 0.693 | 34% | 0.341 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -90.3 | -6.7 | -178 | 71.4 | 0 | 0 | 0 | 0 | 114 | D308 | D308-T310 VanDerWaalsContact CG-OG1 3.32Å; D308-T310 PolarHBondContact O-N 2.72Å; D308-T310 VanDerWaalsContact O-N 3.16Å; D308-T310 WeakPolarHBondContact OD1-CB 3.26Å; D308-T310 PolarHBondContact OD1-N 2.79Å; D308-T310 PolarHBondContact OD1-OG1 3.22Å; D308-T310 PolarHBondContact OD2-OG1 3.29Å |
| 311 | L | 93.1 | Very high | 93.9 | Very high | 33 Ų | 33 | 64.3 Ų | 64.3 | 17% | 0.173 | 36% | 0.356 | C | S | . | . | S | Bend | trans | -66 | 142.3 | 176.4 | -61.5 | 173.4 | 0 | 0 | 0 | 111.2 | L265 L304 L305 D308 L316 | L265-L311 HydrophobicContact CD1-CD1 4.12Å; L265-L311 HydrophobicContact CD1-CD2 4.06Å; L265-L311 HydrophobicContact CD2-CD2 4.12Å; L304-L311 HydrophobicContact CB-CD1 3.98Å; L305-L311 HydrophobicContact CD2-CB 4.09Å; L305-L311 WeakPolarHBondContact CD2-O 3.43Å; D308-L311 HydrophobicContact CB-CD1 4.05Å; D308-L311 HydrophobicContact CB-CG 3.95Å; D308-L311 WeakPolarHBondContact O-CG 3.39Å; D308-L311 PolarHBondContact O-N 2.81Å; L311-L316 HydrophobicContact CB-CD1 4.33Å |
| 312 | D | 89.1 | Confident | 93.7 | Very high | 84 Ų | 84 | 65.1 Ų | 65.1 | 45% | 0.449 | 37% | 0.366 | S | S | . | . | trans | -82.1 | 122 | 174.6 | -174.3 | -0.7 | 0 | 0 | 0 | 110.1 | N314 E315 L316 | D312-N314 PolarHBondContact O-N 3.32Å; D312-N314 PolarHBondContact OD1-N 2.94Å; D312-N314 PolarHBondContact OD1-ND2 2.74Å; D312-E315 HydrophobicContact CB-CB 4.04Å; D312-E315 PolarHBondContact O-N 2.96Å; D312-L316 WeakPolarHBondContact O-CG 3.2Å; D312-L316 PolarHBondContact O-N 3.21Å; D312-L316 VanDerWaalsContact O-N 3.07Å | ||
| 313 | E | 90.6 | Very high | 93.7 | Very high | 118 Ų | 118 | 63 Ų | 63 | 55% | 0.551 | 35% | 0.347 | S | S | * | . | H | α-helix | trans | -59.7 | -31.7 | 177.5 | -173.3 | 170.4 | -170.7 | 0 | 0 | 112.2 | I301 L316 G317 | I301-E313 HydrophobicContact CD1-CG 4.45Å; I301-E313 HydrophobicContact CG2-CG 3.93Å; E313-L316 PolarHBondContact O-N 3.33Å; E313-G317 PolarHBondContact O-N 2.57Å |
| 314 | N | 88.2 | Confident | 93.6 | Very high | 83 Ų | 83 | 60.4 Ų | 60.4 | 44% | 0.444 | 33% | 0.33 | S | S | . | . | H | α-helix | trans | -69.3 | -45 | 176.7 | -60.9 | -51.2 | 0 | 0 | 0 | 111.6 | D312 L316 G317 E318 | D312-N314 PolarHBondContact O-N 3.32Å; D312-N314 PolarHBondContact OD1-N 2.94Å; D312-N314 PolarHBondContact OD1-ND2 2.74Å; N314-L316 VanDerWaalsContact C-N 3.29Å; N314-L316 PolarHBondContact O-N 3.49Å; N314-G317 WeakPolarHBondContact O-CA 3.37Å; N314-G317 PolarHBondContact O-N 3.01Å; N314-E318 WeakPolarHBondContact O-CG 3.36Å; N314-E318 PolarHBondContact O-N 3.23Å |
| 315 | E | 90.4 | Very high | 93.5 | Very high | 62 Ų | 62 | 63.3 Ų | 63.3 | 29% | 0.29 | 34% | 0.343 | S | S | . | . | H | α-helix | trans | -58.5 | -43.2 | 175.5 | -174.7 | -174.1 | -172.1 | 0 | 0 | 110.4 | L265 D312 G317 E318 I319 | L265-E315 HydrophobicContact CD2-CG 4.43Å; D312-E315 HydrophobicContact CB-CB 4.04Å; D312-E315 PolarHBondContact O-N 2.96Å; E315-G317 VanDerWaalsContact C-N 3.32Å; E315-G317 PolarHBondContact O-N 3.14Å; E315-E318 PolarHBondContact O-N 2.7Å; E315-I319 HydrophobicContact CG-CD1 4.13Å; E315-I319 VanDerWaalsContact O-CG1 3.3Å; E315-I319 WeakPolarHBondContact O-CG1 3.25Å; E315-I319 PolarHBondContact O-N 2.84Å |
| 316 | L | 94.5 | Very high | 93.4 | Very high | 1 Ų | 1 | 65 Ų | 65 | 1% | 0.005 | 35% | 0.352 | C | S | . | . | H | α-helix | trans | -60 | -42.4 | 174.5 | -65.1 | -180 | 0 | 0 | 0 | 112.1 | L265 V269 I301 L304 L305 L311 D312 E313 N314 I319 L320 | L265-L316 HydrophobicContact CD1-CD2 3.89Å; L265-L316 HydrophobicContact CD2-CD2 4.07Å; L265-L316 HydrophobicContact CG-CD2 4.2Å; V269-L316 HydrophobicContact CG2-CD2 4.04Å; I301-L316 HydrophobicContact CG1-CB 4.09Å; I301-L316 HydrophobicContact CG1-CD1 4.37Å; I301-L316 HydrophobicContact CG2-CD1 4.28Å; L304-L316 HydrophobicContact CB-CD1 4.13Å; L304-L316 HydrophobicContact CD1-CD1 4.37Å; L304-L316 HydrophobicContact CD1-CD2 3.67Å; L305-L316 HydrophobicContact CD2-CD1 4.5Å; L305-L316 HydrophobicContact CG-CD1 4.35Å; L311-L316 HydrophobicContact CB-CD1 4.33Å; D312-L316 WeakPolarHBondContact O-CG 3.2Å; D312-L316 PolarHBondContact O-N 3.21Å; D312-L316 VanDerWaalsContact O-N 3.07Å; E313-L316 PolarHBondContact O-N 3.33Å; N314-L316 VanDerWaalsContact C-N 3.29Å; N314-L316 PolarHBondContact O-N 3.49Å; L316-I319 PolarHBondContact O-N 3.44Å; L316-L320 WeakPolarHBondContact O-CB 3.42Å; L316-L320 WeakPolarHBondContact O-CD1 3.44Å; L316-L320 VanDerWaalsContact O-CG 3.27Å; L316-L320 WeakPolarHBondContact O-CG 3.45Å; L316-L320 PolarHBondContact O-N 3.21Å |
| 317 | G | 93 | Very high | 93.4 | Very high | 29 Ų | 29 | 61.1 Ų | 61.1 | 30% | 0.299 | 32% | 0.319 | S | S | . | . | H | α-helix | trans | -61.3 | -42.8 | 175.4 | 0 | 0 | 0 | 0 | 0 | 113.1 | E313 N314 E315 L320 H321 | E313-G317 PolarHBondContact O-N 2.57Å; N314-G317 WeakPolarHBondContact O-CA 3.37Å; N314-G317 PolarHBondContact O-N 3.01Å; E315-G317 VanDerWaalsContact C-N 3.32Å; E315-G317 PolarHBondContact O-N 3.14Å; G317-L320 PolarHBondContact O-N 2.92Å; G317-H321 WeakPolarHBondContact O-CB 3.48Å; G317-H321 PolarHBondContact O-N 2.95Å |
| 318 | E | 90.9 | Very high | 93.3 | Very high | 111 Ų | 111 | 56.3 Ų | 56.3 | 52% | 0.519 | 30% | 0.297 | S | S | . | . | H | α-helix | trans | -65.2 | -44.1 | 176.6 | -70.9 | -177.6 | 176.2 | 0 | 0 | 112.1 | N314 E315 L320 H321 A322 | N314-E318 WeakPolarHBondContact O-CG 3.36Å; N314-E318 PolarHBondContact O-N 3.23Å; E315-E318 PolarHBondContact O-N 2.7Å; E318-L320 PolarHBondContact O-N 3.3Å; E318-H321 WeakPolarHBondContact O-CB 3.24Å; E318-H321 PolarHBondContact O-N 3.31Å; E318-A322 PolarHBondContact O-N 3.42Å |
| 319 | I | 94.9 | Very high | 93.4 | Very high | 10 Ų | 10 | 53.5 Ų | 53.5 | 5% | 0.051 | 28% | 0.281 | C | S | . | . | H | α-helix | trans | -61.9 | -45.3 | 175.9 | -65.7 | 169.6 | 0 | 0 | 0 | 110.4 | L265 N266 V269 E315 L316 H321 A322 I323 | L265-I319 HydrophobicContact CB-CD1 4.46Å; L265-I319 HydrophobicContact CD2-CD1 3.82Å; L265-I319 HydrophobicContact CG-CD1 3.84Å; N266-I319 WeakPolarHBondContact OD1-CG2 3.16Å; V269-I319 HydrophobicContact CB-CG2 3.69Å; V269-I319 HydrophobicContact CG1-CG2 3.75Å; V269-I319 HydrophobicContact CG2-CB 4.5Å; V269-I319 HydrophobicContact CG2-CD1 4.45Å; V269-I319 HydrophobicContact CG2-CG2 3.9Å; E315-I319 HydrophobicContact CG-CD1 4.13Å; E315-I319 VanDerWaalsContact O-CG1 3.3Å; E315-I319 WeakPolarHBondContact O-CG1 3.25Å; E315-I319 PolarHBondContact O-N 2.84Å; L316-I319 PolarHBondContact O-N 3.44Å; I319-H321 VanDerWaalsContact C-N 3.32Å; I319-H321 PolarHBondContact O-N 2.89Å; I319-A322 PolarHBondContact O-N 2.99Å; I319-I323 HydrophobicContact CG2-CD1 3.98Å; I319-I323 WeakPolarHBondContact O-CG1 3.4Å; I319-I323 PolarHBondContact O-N 2.87Å |
| 320 | L | 96.7 | Very high | 93.5 | Very high | 1 Ų | 1 | 48.3 Ų | 48.3 | 1% | 0.005 | 27% | 0.265 | C | S | . | . | H | α-helix | trans | -58.6 | -45.7 | 175.5 | -76.8 | 163 | 0 | 0 | 0 | 110.8 | V269 A273 L277 K297 T300 I301 L316 G317 E318 A322 I323 E324 | V269-L320 HydrophobicContact CG1-CD2 3.7Å; V269-L320 HydrophobicContact CG1-CG 3.88Å; A273-L320 HydrophobicContact CB-CD2 3.61Å; L277-L320 HydrophobicContact CD1-CD2 4.36Å; K297-L320 HydrophobicContact CB-CD1 4.16Å; K297-L320 HydrophobicContact CG-CB 4.46Å; K297-L320 HydrophobicContact CG-CD1 4.1Å; T300-L320 HydrophobicContact CG2-CD2 4.18Å; I301-L320 HydrophobicContact CD1-CD1 3.99Å; I301-L320 HydrophobicContact CG1-CD1 3.81Å; L316-L320 WeakPolarHBondContact O-CB 3.42Å; L316-L320 WeakPolarHBondContact O-CD1 3.44Å; L316-L320 VanDerWaalsContact O-CG 3.27Å; L316-L320 WeakPolarHBondContact O-CG 3.45Å; L316-L320 PolarHBondContact O-N 3.21Å; G317-L320 PolarHBondContact O-N 2.92Å; E318-L320 PolarHBondContact O-N 3.3Å; L320-A322 VanDerWaalsContact C-N 3.35Å; L320-A322 PolarHBondContact O-N 3.42Å; L320-I323 WeakPolarHBondContact O-CB 3.45Å; L320-I323 PolarHBondContact O-N 3.35Å; L320-I323 VanDerWaalsContact O-N 3.16Å; L320-E324 WeakPolarHBondContact O-CG 3.32Å; L320-E324 PolarHBondContact O-N 2.65Å |
| 321 | H | 94 | Very high | 93.6 | Very high | 69 Ų | 69 | 44 Ų | 44 | 32% | 0.319 | 24% | 0.236 | S | C | . | . | H | α-helix | trans | -60.2 | -41.9 | 176.7 | -177.4 | 64 | 0 | 0 | 0 | 112.8 | G317 E318 I319 I323 E324 K325 H510 | G317-H321 WeakPolarHBondContact O-CB 3.48Å; G317-H321 PolarHBondContact O-N 2.95Å; E318-H321 WeakPolarHBondContact O-CB 3.24Å; E318-H321 PolarHBondContact O-N 3.31Å; I319-H321 VanDerWaalsContact C-N 3.32Å; I319-H321 PolarHBondContact O-N 2.89Å; H321-I323 VanDerWaalsContact C-N 3.33Å; H321-I323 PolarHBondContact O-N 2.98Å; H321-E324 WeakPolarHBondContact CA-OE1 3.46Å; H321-E324 IonicContact ND1-OE1 3.63Å; H321-E324 WeakPolarHBondContact O-CB 3.42Å; H321-E324 PolarHBondContact O-N 2.86Å; H321-K325 WeakPolarHBondContact O-CB 3.36Å; H321-K325 PolarHBondContact O-N 2.81Å; H321-H510 AromaticContact CE1-CD2 3.82Å; H321-H510 AromaticContact CE1-NE2 3.23Å; H321-H510 PolarHBondContact CE1-NE2 3.45Å; H321-H510 AromaticContact NE2-NE2 3.99Å |
| 322 | A | 93.6 | Very high | 93.7 | Very high | 40 Ų | 40 | 43 Ų | 43 | 33% | 0.331 | 23% | 0.231 | S | C | . | . | H | α-helix | trans | -62.6 | -39.2 | 175.1 | 0 | 0 | 0 | 0 | 0 | 112.1 | E318 I319 L320 K325 N326 | E318-A322 PolarHBondContact O-N 3.42Å; I319-A322 PolarHBondContact O-N 2.99Å; L320-A322 VanDerWaalsContact C-N 3.35Å; L320-A322 PolarHBondContact O-N 3.42Å; A322-K325 WeakPolarHBondContact O-CB 3.47Å; A322-K325 PolarHBondContact O-N 3.08Å; A322-N326 WeakPolarHBondContact O-CB 3.07Å; A322-N326 PolarHBondContact O-N 2.85Å; A322-N326 PolarHBondContact O-ND2 3.14Å |
| 323 | I | 96.3 | Very high | 94 | Very high | 14 Ų | 14 | 40.4 Ų | 40.4 | 7% | 0.072 | 22% | 0.217 | C | C | . | . | H | α-helix | trans | -64.7 | -45 | 174.7 | -66.3 | 161.5 | 0 | 0 | 0 | 110.7 | V269 A270 E274 L277 I319 L320 H321 K325 N326 V327 | V269-I323 HydrophobicContact CB-CD1 4.19Å; V269-I323 HydrophobicContact CG1-CD1 3.62Å; A270-I323 HydrophobicContact CB-CD1 4.17Å; E274-I323 HydrophobicContact CB-CG2 3.94Å; E274-I323 HydrophobicContact CG-CG2 4.02Å; L277-I323 HydrophobicContact CD1-CB 4.28Å; L277-I323 HydrophobicContact CD1-CG2 3.75Å; I319-I323 HydrophobicContact CG2-CD1 3.98Å; I319-I323 WeakPolarHBondContact O-CG1 3.4Å; I319-I323 PolarHBondContact O-N 2.87Å; L320-I323 WeakPolarHBondContact O-CB 3.45Å; L320-I323 PolarHBondContact O-N 3.35Å; L320-I323 VanDerWaalsContact O-N 3.16Å; H321-I323 VanDerWaalsContact C-N 3.33Å; H321-I323 PolarHBondContact O-N 2.98Å; I323-K325 VanDerWaalsContact C-N 3.32Å; I323-K325 PolarHBondContact O-N 3.07Å; I323-N326 PolarHBondContact O-N 3.36Å; I323-V327 HydrophobicContact CG2-CG2 4.22Å; I323-V327 WeakPolarHBondContact O-CB 3.19Å; I323-V327 VanDerWaalsContact O-CG2 3.32Å; I323-V327 WeakPolarHBondContact O-CG2 3.45Å; I323-V327 PolarHBondContact O-N 3.11Å |
| 324 | E | 95.8 | Very high | 94.2 | Very high | 7 Ų | 7 | 38.3 Ų | 38.3 | 3% | 0.033 | 22% | 0.22 | C | C | . | . | H | α-helix | trans | -57 | -47.5 | 175.6 | -65.2 | 179.1 | -88 | 0 | 0 | 111.7 | L277 Y281 V293 K297 L320 H321 N326 V327 V328 | L277-E324 HydrophobicContact CD1-CG 3.96Å; L277-E324 HydrophobicContact CD2-CG 4.16Å; Y281-E324 HydrophobicContact CE2-CB 3.87Å; Y281-E324 HydrophobicContact CE2-CG 3.85Å; Y281-E324 PolarHBondContact OH-OE2 2.99Å; V293-E324 VanDerWaalsContact CG1-OE2 3.25Å; V293-E324 WeakPolarHBondContact CG1-OE2 3.28Å; K297-E324 WeakPolarHBondContact CE-OE1 3.32Å; K297-E324 VanDerWaalsContact NZ-CD 3.31Å; K297-E324 IonicContact NZ-OE1 3.32Å; K297-E324 PolarHBondContact NZ-OE1 2.88Å; K297-E324 IonicContact NZ-OE2 2.69Å; K297-E324 PolarHBondContact NZ-OE2 3.37Å; L320-E324 WeakPolarHBondContact O-CG 3.32Å; L320-E324 PolarHBondContact O-N 2.65Å; H321-E324 WeakPolarHBondContact CA-OE1 3.46Å; H321-E324 IonicContact ND1-OE1 3.63Å; H321-E324 WeakPolarHBondContact O-CB 3.42Å; H321-E324 PolarHBondContact O-N 2.86Å; E324-N326 VanDerWaalsContact C-N 3.34Å; E324-N326 PolarHBondContact O-N 3.2Å; E324-V327 PolarHBondContact O-N 3.31Å; E324-V328 WeakPolarHBondContact O-CG2 3.47Å; E324-V328 PolarHBondContact O-N 2.86Å |
| 325 | K | 95.1 | Very high | 94.4 | Very high | 64 Ų | 64 | 37.1 Ų | 37.1 | 28% | 0.278 | 23% | 0.227 | S | C | . | . | H | α-helix | trans | -55.3 | -50.3 | 175.3 | -177.5 | 176.5 | 176.9 | -172.4 | 0 | 110.5 | H321 A322 I323 V327 V328 R329 L511 | H321-K325 WeakPolarHBondContact O-CB 3.36Å; H321-K325 PolarHBondContact O-N 2.81Å; A322-K325 WeakPolarHBondContact O-CB 3.47Å; A322-K325 PolarHBondContact O-N 3.08Å; I323-K325 VanDerWaalsContact C-N 3.32Å; I323-K325 PolarHBondContact O-N 3.07Å; K325-V327 PolarHBondContact O-N 3.34Å; K325-V328 PolarHBondContact O-N 3.26Å; K325-R329 HydrophobicContact CG-CG 4.37Å; K325-R329 VanDerWaalsContact O-CB 3.27Å; K325-R329 WeakPolarHBondContact O-CB 3.36Å; K325-R329 VanDerWaalsContact O-CD 3.23Å; K325-R329 WeakPolarHBondContact O-CD 3.31Å; K325-R329 WeakPolarHBondContact O-CG 3.44Å; K325-R329 PolarHBondContact O-N 2.83Å; K325-L511 HydrophobicContact CB-CD2 4.04Å |
| 326 | N | 95.3 | Very high | 94.6 | Very high | 89 Ų | 89 | 37.9 Ų | 37.9 | 48% | 0.476 | 23% | 0.231 | S | C | . | . | H | α-helix | trans | -63.4 | -42 | 179.7 | -70.6 | -19.8 | 0 | 0 | 0 | 112.9 | A322 I323 E324 S330 | A322-N326 WeakPolarHBondContact O-CB 3.07Å; A322-N326 PolarHBondContact O-N 2.85Å; A322-N326 PolarHBondContact O-ND2 3.14Å; I323-N326 PolarHBondContact O-N 3.36Å; E324-N326 VanDerWaalsContact C-N 3.34Å; E324-N326 PolarHBondContact O-N 3.2Å; N326-S330 WeakPolarHBondContact O-CB 3.42Å; N326-S330 PolarHBondContact O-N 2.86Å; N326-S330 PolarHBondContact O-OG 2.98Å |
| 327 | V | 95 | Very high | 94.5 | Very high | 5 Ų | 5 | 41 Ų | 41 | 3% | 0.03 | 25% | 0.251 | C | S | . | . | H | α-helix | trans | -60.3 | -50.2 | 177.5 | 162.5 | 0 | 0 | 0 | 0 | 111 | E274 Y281 I323 E324 K325 S330 R331 | E274-V327 HydrophobicContact CG-CG2 4.15Å; Y281-V327 HydrophobicContact CD2-CG1 4.2Å; I323-V327 HydrophobicContact CG2-CG2 4.22Å; I323-V327 WeakPolarHBondContact O-CB 3.19Å; I323-V327 VanDerWaalsContact O-CG2 3.32Å; I323-V327 WeakPolarHBondContact O-CG2 3.45Å; I323-V327 PolarHBondContact O-N 3.11Å; E324-V327 PolarHBondContact O-N 3.31Å; K325-V327 PolarHBondContact O-N 3.34Å; V327-S330 PolarHBondContact O-OG 2.82Å; V327-S330 VanDerWaalsContact O-OG 3.07Å; V327-R331 VanDerWaalsContact O-CG 3.31Å; V327-R331 WeakPolarHBondContact O-CG 3.24Å; V327-R331 PolarHBondContact O-N 3.35Å |
| 328 | V | 94.6 | Very high | 94.5 | Very high | 6 Ų | 6 | 40 Ų | 40 | 4% | 0.036 | 24% | 0.238 | C | C | . | . | H | α-helix | trans | -66.1 | -45.3 | -178.9 | 172.3 | 0 | 0 | 0 | 0 | 110.6 | Y281 E324 K325 R331 V332 I339 L511 | Y281-V328 HydrophobicContact CD1-CG2 3.46Å; Y281-V328 VanDerWaalsContact CD1-CG2 3.46Å; Y281-V328 HydrophobicContact CD2-CG2 4.17Å; Y281-V328 HydrophobicContact CE1-CG2 3.61Å; Y281-V328 HydrophobicContact CE2-CG2 4.33Å; Y281-V328 HydrophobicContact CG-CG2 3.77Å; E324-V328 WeakPolarHBondContact O-CG2 3.47Å; E324-V328 PolarHBondContact O-N 2.86Å; K325-V328 PolarHBondContact O-N 3.26Å; V328-R331 PolarHBondContact O-N 2.73Å; V328-V332 WeakPolarHBondContact O-CG2 3.37Å; V328-V332 PolarHBondContact O-N 2.88Å; V328-V332 VanDerWaalsContact O-N 3.12Å; V328-I339 HydrophobicContact CG1-CD1 4.02Å; V328-I339 HydrophobicContact CG1-CG1 4.46Å; V328-I339 HydrophobicContact CG2-CD1 4.25Å; V328-L511 HydrophobicContact CB-CD1 3.98Å; V328-L511 HydrophobicContact CG1-CD1 4.28Å; V328-L511 HydrophobicContact CG2-CD1 3.7Å |
| 329 | R | 95.4 | Very high | 94.6 | Very high | 8 Ų | 8 | 35 Ų | 35 | 3% | 0.03 | 22% | 0.215 | C | C | . | . | H | α-helix | trans | -66.7 | -45.2 | -176.5 | -67.4 | 167.1 | 72.6 | 79.3 | 2.8 | 112.6 | K325 R331 V332 L333 V492 K493 E494 L511 D513 | K325-R329 HydrophobicContact CG-CG 4.37Å; K325-R329 VanDerWaalsContact O-CB 3.27Å; K325-R329 WeakPolarHBondContact O-CB 3.36Å; K325-R329 VanDerWaalsContact O-CD 3.23Å; K325-R329 WeakPolarHBondContact O-CD 3.31Å; K325-R329 WeakPolarHBondContact O-CG 3.44Å; K325-R329 PolarHBondContact O-N 2.83Å; R329-R331 VanDerWaalsContact C-N 3.31Å; R329-R331 PolarHBondContact O-N 2.96Å; R329-V332 PolarHBondContact O-N 2.84Å; R329-L333 WeakPolarHBondContact O-CB 3.34Å; R329-L333 VanDerWaalsContact O-CG 3.29Å; R329-L333 WeakPolarHBondContact O-CG 3.49Å; R329-L333 PolarHBondContact O-N 3.16Å; R329-V492 HydrophobicContact CB-CG1 3.75Å; R329-V492 HydrophobicContact CG-CG1 3.81Å; R329-K493 PolarHBondContact NH2-O 2.97Å; R329-E494 IonicContact CZ-OE1 3.36Å; R329-E494 IonicContact NE-OE1 3.93Å; R329-E494 PolarHBondContact NE-OE1 3.45Å; R329-E494 IonicContact NH2-OE1 2.64Å; R329-E494 PolarHBondContact NH2-OE1 2.89Å; R329-L511 PolarHBondContact NH1-O 2.88Å; R329-D513 IonicContact CZ-OD1 2.57Å; R329-D513 IonicContact CZ-OD2 2.79Å; R329-D513 IonicContact NH1-OD1 3.86Å; R329-D513 PolarHBondContact NH1-OD1 3.46Å; R329-D513 IonicContact NH1-OD2 3.99Å; R329-D513 PolarHBondContact NH1-OD2 2.65Å; R329-D513 IonicContact NH2-OD1 3.01Å; R329-D513 PolarHBondContact NH2-OD1 2.83Å; R329-D513 IonicContact NH2-OD2 3.79Å; R329-D513 PolarHBondContact NH2-OD2 3.45Å |
| 330 | S | 95 | Very high | 94.5 | Very high | 68 Ų | 68 | 36.5 Ų | 36.5 | 48% | 0.476 | 22% | 0.223 | S | C | . | . | H | α-helix | trans | -60.5 | -41.1 | 179.5 | 57.5 | 0 | 0 | 0 | 0 | 111.9 | N326 V327 L333 A334 | N326-S330 WeakPolarHBondContact O-CB 3.42Å; N326-S330 PolarHBondContact O-N 2.86Å; N326-S330 PolarHBondContact O-OG 2.98Å; V327-S330 PolarHBondContact O-OG 2.82Å; V327-S330 VanDerWaalsContact O-OG 3.07Å; S330-L333 PolarHBondContact O-N 3.21Å; S330-A334 VanDerWaalsContact O-CB 3.25Å; S330-A334 WeakPolarHBondContact O-CB 3.45Å; S330-A334 PolarHBondContact O-N 2.85Å |
| 331 | R | 94.2 | Very high | 94.2 | Very high | 23 Ų | 23 | 38.6 Ų | 38.6 | 9% | 0.087 | 24% | 0.244 | C | C | . | . | H | α-helix | trans | -63.7 | -47.3 | 175.5 | -71.4 | -178.9 | 61.8 | -149.6 | -15.5 | 112.4 | Y281 V327 V328 R329 L333 A334 G335 E336 P337 | Y281-R331 VanDerWaalsContact C-NH1 3.25Å; Y281-R331 PolarHBondContact O-NH1 2.89Å; V327-R331 VanDerWaalsContact O-CG 3.31Å; V327-R331 WeakPolarHBondContact O-CG 3.24Å; V327-R331 PolarHBondContact O-N 3.35Å; V328-R331 PolarHBondContact O-N 2.73Å; R329-R331 VanDerWaalsContact C-N 3.31Å; R329-R331 PolarHBondContact O-N 2.96Å; R331-L333 VanDerWaalsContact C-N 3.31Å; R331-L333 PolarHBondContact O-N 2.83Å; R331-A334 PolarHBondContact O-N 2.83Å; R331-G335 PolarHBondContact O-N 2.88Å; R331-E336 HydrophobicContact CB-CB 4.2Å; R331-E336 WeakPolarHBondContact CG-OE2 3.39Å; R331-E336 IonicContact CZ-OE2 2.88Å; R331-E336 IonicContact NE-OE2 3.99Å; R331-E336 PolarHBondContact NE-OE2 3.29Å; R331-E336 PolarHBondContact O-N 2.81Å; R331-P337 PolarHBondContact NH2-O 3.47Å |
| 332 | V | 95 | Very high | 94.3 | Very high | 11 Ų | 11 | 35.9 Ų | 35.9 | 7% | 0.067 | 23% | 0.231 | C | C | . | . | H | α-helix | trans | -57.7 | -45.7 | 176.3 | 168.3 | 0 | 0 | 0 | 0 | 110.7 | V328 R329 A334 G335 V492 V499 L501 | V328-V332 WeakPolarHBondContact O-CG2 3.37Å; V328-V332 PolarHBondContact O-N 2.88Å; V328-V332 VanDerWaalsContact O-N 3.12Å; R329-V332 PolarHBondContact O-N 2.84Å; V332-A334 VanDerWaalsContact C-N 3.34Å; V332-A334 PolarHBondContact O-N 3.38Å; V332-G335 PolarHBondContact O-N 3Å; V332-V492 HydrophobicContact CB-CG2 4.39Å; V332-V492 HydrophobicContact CG1-CB 3.96Å; V332-V492 HydrophobicContact CG1-CG1 4.46Å; V332-V492 HydrophobicContact CG1-CG2 3.95Å; V332-V499 HydrophobicContact CG1-CB 3.82Å; V332-V499 HydrophobicContact CG1-CG1 3.89Å; V332-V499 HydrophobicContact CG1-CG2 4.33Å; V332-L501 HydrophobicContact CG1-CD1 4.36Å; V332-L501 HydrophobicContact CG1-CD2 3.99Å |
| 333 | L | 95.7 | Very high | 94.3 | Very high | 30 Ų | 30 | 38.8 Ų | 38.8 | 16% | 0.157 | 24% | 0.238 | C | C | . | . | H | α-helix | trans | -70.7 | -27.3 | 179.7 | -69.6 | 166 | 0 | 0 | 0 | 113.5 | R329 S330 R331 G335 V492 E494 N497 V499 | R329-L333 WeakPolarHBondContact O-CB 3.34Å; R329-L333 VanDerWaalsContact O-CG 3.29Å; R329-L333 WeakPolarHBondContact O-CG 3.49Å; R329-L333 PolarHBondContact O-N 3.16Å; S330-L333 PolarHBondContact O-N 3.21Å; R331-L333 VanDerWaalsContact C-N 3.31Å; R331-L333 PolarHBondContact O-N 2.83Å; L333-G335 PolarHBondContact O-N 2.94Å; L333-V492 HydrophobicContact CD1-CG1 4.01Å; L333-V492 HydrophobicContact CD2-CG1 4.21Å; L333-V492 HydrophobicContact CG-CG1 3.88Å; L333-E494 HydrophobicContact CD1-CB 3.71Å; L333-E494 HydrophobicContact CD1-CG 3.37Å; L333-N497 HydrophobicContact CD2-CB 4.38Å; L333-V499 HydrophobicContact CD2-CG2 4.25Å |
| 334 | A | 94.8 | Very high | 94.3 | Very high | 74 Ų | 74 | 43.5 Ų | 43.5 | 61% | 0.612 | 26% | 0.258 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -76.5 | -7.1 | 173.4 | 0 | 0 | 0 | 0 | 0 | 113.1 | S330 R331 V332 E336 | S330-A334 VanDerWaalsContact O-CB 3.25Å; S330-A334 WeakPolarHBondContact O-CB 3.45Å; S330-A334 PolarHBondContact O-N 2.85Å; R331-A334 PolarHBondContact O-N 2.83Å; V332-A334 VanDerWaalsContact C-N 3.34Å; V332-A334 PolarHBondContact O-N 3.38Å; A334-E336 VanDerWaalsContact C-N 3.31Å; A334-E336 HydrophobicContact CB-CG 4.36Å |
| 335 | G | 92.7 | Very high | 94.3 | Very high | 58 Ų | 58 | 47.7 Ų | 47.7 | 60% | 0.598 | 28% | 0.281 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 73.1 | 23.6 | -176.4 | 0 | 0 | 0 | 0 | 0 | 113.2 | R331 V332 L333 | R331-G335 PolarHBondContact O-N 2.88Å; V332-G335 PolarHBondContact O-N 3Å; L333-G335 PolarHBondContact O-N 2.94Å |
| 336 | E | 93.7 | Very high | 94.3 | Very high | 78 Ų | 78 | 48.9 Ų | 48.9 | 36% | 0.364 | 29% | 0.288 | S | S | . | . | trans | -71.1 | 158 | 170 | -69 | -173.1 | -159.1 | 0 | 0 | 110.9 | R282 R331 A334 R338 | R282-E336 IonicContact NH2-OE2 3.42Å; R331-E336 HydrophobicContact CB-CB 4.2Å; R331-E336 WeakPolarHBondContact CG-OE2 3.39Å; R331-E336 IonicContact CZ-OE2 2.88Å; R331-E336 IonicContact NE-OE2 3.99Å; R331-E336 PolarHBondContact NE-OE2 3.29Å; R331-E336 PolarHBondContact O-N 2.81Å; A334-E336 VanDerWaalsContact C-N 3.31Å; A334-E336 HydrophobicContact CB-CG 4.36Å; E336-R338 PolarHBondContact O-N 3.2Å | ||
| 337 | P | 92.3 | Very high | 94.4 | Very high | 66 Ų | 66 | 46 Ų | 46 | 43% | 0.429 | 27% | 0.273 | S | S | . | . | trans | -52.8 | 139 | 170 | -25.5 | 34.6 | 0 | 0 | 0 | 111.3 | R331 | R331-P337 PolarHBondContact NH2-O 3.47Š| ||
| 338 | R | 94.7 | Very high | 94.5 | Very high | 9 Ų | 9 | 46.5 Ų | 46.5 | 3% | 0.034 | 27% | 0.274 | C | S | . | . | trans | -62.7 | 174.4 | 177.3 | -67.4 | 168.6 | 69.4 | 177.6 | 0.8 | 111.2 | E336 D340 G341 R342 E343 K344 L501 S502 D503 E508 | E336-R338 PolarHBondContact O-N 3.2Å; R338-D340 PolarHBondContact O-N 3.17Å; R338-D340 VanDerWaalsContact O-N 3.13Å; R338-G341 WeakPolarHBondContact O-CA 3.37Å; R338-G341 PolarHBondContact O-N 3.47Å; R338-R342 VanDerWaalsContact CB-O 3.29Å; R338-R342 WeakPolarHBondContact CB-O 3.41Å; R338-R342 VanDerWaalsContact CG-O 3.29Å; R338-R342 WeakPolarHBondContact CG-O 3.3Å; R338-R342 PolarHBondContact N-O 2.71Å; R338-R342 VanDerWaalsContact NH1-NH1 3.14Å; R338-E343 WeakPolarHBondContact CD-O 3.39Å; R338-K344 PolarHBondContact NH1-O 2.82Å; R338-L501 HydrophobicContact CG-CD2 4.46Å; R338-S502 PolarHBondContact NH1-O 3.28Å; R338-S502 PolarHBondContact NH2-O 2.97Å; R338-D503 PolarHBondContact NH2-O 3.4Å; R338-E508 IonicContact CZ-OE1 3.68Å; R338-E508 IonicContact CZ-OE2 3.88Å; R338-E508 IonicContact NE-OE1 2.96Å; R338-E508 PolarHBondContact NE-OE1 2.95Å; R338-E508 IonicContact NE-OE2 3.38Å; R338-E508 VanDerWaalsContact NH2-CD 3.29Å; R338-E508 IonicContact NH2-OE1 3.98Å; R338-E508 PolarHBondContact NH2-OE1 3.19Å; R338-E508 IonicContact NH2-OE2 3.77Å; R338-E508 PolarHBondContact NH2-OE2 3.06Å | ||
| 339 | I | 92.6 | Very high | 94.6 | Very high | 6 Ų | 6 | 49.1 Ų | 49.1 | 3% | 0.031 | 30% | 0.302 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -52.7 | -38.6 | -176.5 | -60.8 | 173.8 | 0 | 0 | 0 | 112 | Y281 V328 L505 D507 E508 | Y281-I339 HydrophobicContact CD1-CD1 4.15Å; Y281-I339 HydrophobicContact CD1-CG1 4.4Å; Y281-I339 HydrophobicContact CE1-CD1 4.44Å; V328-I339 HydrophobicContact CG1-CD1 4.02Å; V328-I339 HydrophobicContact CG1-CG1 4.46Å; V328-I339 HydrophobicContact CG2-CD1 4.25Å; I339-L505 HydrophobicContact CB-CD1 3.97Å; I339-L505 HydrophobicContact CG2-CD1 4.44Å; I339-D507 HydrophobicContact CD1-CB 3.62Å; I339-E508 HydrophobicContact CD1-CG 4.08Å |
| 340 | D | 91.8 | Very high | 94.7 | Very high | 41 Ų | 41 | 50.5 Ų | 50.5 | 22% | 0.219 | 31% | 0.31 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -94.7 | 12.5 | 178.1 | 64.5 | -1 | 0 | 0 | 0 | 114 | R338 R342 L505 | R338-D340 PolarHBondContact O-N 3.17Å; R338-D340 VanDerWaalsContact O-N 3.13Å; D340-R342 VanDerWaalsContact C-N 3.34Å; D340-R342 VanDerWaalsContact CG-NE 3.29Å; D340-R342 PolarHBondContact O-N 3.31Å; D340-R342 WeakPolarHBondContact OD1-CB 3.33Å; D340-R342 WeakPolarHBondContact OD1-CG 3.4Å; D340-R342 IonicContact OD1-CZ 3.49Å; D340-R342 PolarHBondContact OD1-N 3.28Å; D340-R342 IonicContact OD1-NE 3.97Å; D340-R342 PolarHBondContact OD1-NE 3.15Å; D340-R342 VanDerWaalsContact OD1-NE 3.15Å; D340-R342 IonicContact OD1-NH2 3.93Å; D340-R342 IonicContact OD2-CZ 2.55Å; D340-R342 VanDerWaalsContact OD2-CZ 3.24Å; D340-R342 IonicContact OD2-NE 3.22Å; D340-R342 PolarHBondContact OD2-NE 2.85Å; D340-R342 IonicContact OD2-NH2 3.6Å; D340-R342 PolarHBondContact OD2-NH2 3.21Å; D340-L505 HydrophobicContact CB-CD1 4.08Å |
| 341 | G | 91.6 | Very high | 94.9 | Very high | 44 Ų | 44 | 50.6 Ų | 50.6 | 45% | 0.454 | 31% | 0.305 | S | S | . | . | S | Bend | trans | 82.2 | 1.6 | 178.7 | 0 | 0 | 0 | 0 | 0 | 115.4 | R338 | R338-G341 WeakPolarHBondContact O-CA 3.37Å; R338-G341 PolarHBondContact O-N 3.47Å |
| 342 | R | 94.7 | Very high | 95.1 | Very high | 13 Ų | 13 | 50.5 Ų | 50.5 | 5% | 0.049 | 31% | 0.307 | C | S | . | . | trans | -75.5 | 156.2 | 177.9 | -74 | -172.6 | -64.9 | 140.3 | -3.5 | 113.3 | R338 D340 M346 S502 D503 | R338-R342 VanDerWaalsContact CB-O 3.29Å; R338-R342 WeakPolarHBondContact CB-O 3.41Å; R338-R342 VanDerWaalsContact CG-O 3.29Å; R338-R342 WeakPolarHBondContact CG-O 3.3Å; R338-R342 PolarHBondContact N-O 2.71Å; R338-R342 VanDerWaalsContact NH1-NH1 3.14Å; D340-R342 VanDerWaalsContact C-N 3.34Å; D340-R342 VanDerWaalsContact CG-NE 3.29Å; D340-R342 PolarHBondContact O-N 3.31Å; D340-R342 WeakPolarHBondContact OD1-CB 3.33Å; D340-R342 WeakPolarHBondContact OD1-CG 3.4Å; D340-R342 IonicContact OD1-CZ 3.49Å; D340-R342 PolarHBondContact OD1-N 3.28Å; D340-R342 IonicContact OD1-NE 3.97Å; D340-R342 PolarHBondContact OD1-NE 3.15Å; D340-R342 VanDerWaalsContact OD1-NE 3.15Å; D340-R342 IonicContact OD1-NH2 3.93Å; D340-R342 IonicContact OD2-CZ 2.55Å; D340-R342 VanDerWaalsContact OD2-CZ 3.24Å; D340-R342 IonicContact OD2-NE 3.22Å; D340-R342 PolarHBondContact OD2-NE 2.85Å; D340-R342 IonicContact OD2-NH2 3.6Å; D340-R342 PolarHBondContact OD2-NH2 3.21Å; R342-M346 HydrophobicContact CB-CB 4.02Å; R342-M346 HydrophobicContact CB-SD 4.42Å; R342-M346 HydrophobicContact CG-CB 4.11Å; R342-M346 HydrophobicContact CG-CE 4.36Å; R342-M346 PolarHBondContact NH1-O 2.96Å; R342-S502 PolarHBondContact NH1-O 2.86Å; R342-S502 VanDerWaalsContact NH1-O 3.09Å; R342-D503 PolarHBondContact NH1-O 3.36Å; R342-D503 VanDerWaalsContact NH1-O 3.11Å; R342-D503 IonicContact NH1-OD2 3.73Å; R342-D503 PolarHBondContact NH2-O 2.78Å | ||
| 343 | E | 94.7 | Very high | 95.2 | Very high | 101 Ų | 101 | 56.5 Ų | 56.5 | 47% | 0.472 | 33% | 0.329 | S | S | . | . | trans | -72.9 | 166.7 | 160.8 | -60.9 | -61.7 | 149.9 | 0 | 0 | 111.4 | R338 D345 M346 | R338-E343 WeakPolarHBondContact CD-O 3.39Å; E343-D345 PolarHBondContact O-N 3.34Å; E343-D345 VanDerWaalsContact O-N 3.16Å; E343-M346 HydrophobicContact CB-CG 3.91Å; E343-M346 HydrophobicContact CB-SD 3.73Å; E343-M346 HydrophobicContact CG-CG 4.49Å; E343-M346 HydrophobicContact CG-SD 3.76Å; E343-M346 PolarHBondContact N-SD 3.3Å; E343-M346 PolarHBondContact O-N 3.47Å | ||
| 344 | K | 95.1 | Very high | 95.3 | Very high | 113 Ų | 113 | 56.7 Ų | 56.7 | 49% | 0.491 | 33% | 0.331 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -57.5 | -30.6 | -176 | 67.3 | 179 | 179.5 | -178.4 | 0 | 114.9 | R338 V499 L501 S502 Q548 | R338-K344 PolarHBondContact NH1-O 2.82Å; K344-V499 HydrophobicContact CB-CG1 3.92Å; K344-V499 HydrophobicContact CD-CG1 4.02Å; K344-L501 HydrophobicContact CB-CD2 4.07Å; K344-L501 CarbonylContact O-C 3.5Å; K344-L501 WeakPolarHBondContact O-CA 3.49Å; K344-S502 PolarHBondContact O-N 2.96Å; K344-Q548 PolarHBondContact O-NE2 3.31Å |
| 345 | D | 95.5 | Very high | 95.4 | Very high | 95 Ų | 95 | 55 Ų | 55 | 51% | 0.508 | 32% | 0.321 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -108.3 | -4.5 | -173.8 | 63.2 | -13.5 | 0 | 0 | 0 | 114.5 | E343 S502 Q548 | E343-D345 PolarHBondContact O-N 3.34Å; E343-D345 VanDerWaalsContact O-N 3.16Å; D345-S502 WeakPolarHBondContact CA-OG 3.29Å; D345-S502 WeakPolarHBondContact O-CB 3.19Å; D345-S502 PolarHBondContact O-OG 2.82Å; D345-Q548 HydrophobicContact CB-CG 4.33Å |
| 346 | M | 96.2 | Very high | 95.6 | Very high | 89 Ų | 89 | 54.8 Ų | 54.8 | 44% | 0.438 | 31% | 0.308 | S | S | . | . | P | Polyproline II helix | trans | -70 | 145 | 178.9 | -74.8 | 176 | 70.3 | 0 | 0 | 112.4 | R342 E343 | R342-M346 HydrophobicContact CB-CB 4.02Å; R342-M346 HydrophobicContact CB-SD 4.42Å; R342-M346 HydrophobicContact CG-CB 4.11Å; R342-M346 HydrophobicContact CG-CE 4.36Å; R342-M346 PolarHBondContact NH1-O 2.96Å; E343-M346 HydrophobicContact CB-CG 3.91Å; E343-M346 HydrophobicContact CB-SD 3.73Å; E343-M346 HydrophobicContact CG-CG 4.49Å; E343-M346 HydrophobicContact CG-SD 3.76Å; E343-M346 PolarHBondContact N-SD 3.3Å; E343-M346 PolarHBondContact O-N 3.47Å |
| 347 | I | 97.4 | Very high | 95.8 | Very high | 28 Ų | 28 | 54 Ų | 54 | 14% | 0.144 | 31% | 0.306 | C | S | . | . | P | Polyproline II helix | trans | -99.1 | 143.1 | 173.9 | -48.9 | -56.2 | 0 | 0 | 0 | 108.8 | R368 I487 D503 A552 I556 | I347-R368 HydrophobicContact CG2-CG 4.41Å; I347-I487 HydrophobicContact CD1-CD1 4.28Å; I347-D503 HydrophobicContact CD1-CB 3.97Å; I347-D503 HydrophobicContact CG2-CB 4.31Å; I347-A552 HydrophobicContact CD1-CB 3.5Å; I347-A552 HydrophobicContact CG1-CB 4.26Å; I347-I556 HydrophobicContact CG2-CD1 4.44Å; I347-I556 HydrophobicContact CG2-CG1 4.36Å |
| 348 | R | 96.9 | Very high | 95.9 | Very high | 15 Ų | 15 | 56.3 Ų | 56.3 | 6% | 0.057 | 32% | 0.321 | C | S | . | . | P | Polyproline II helix | trans | -63.4 | 160.2 | 173.9 | -65.4 | 172.4 | -69.6 | -177.7 | -9.2 | 110.9 | L350 R368 N458 D503 | R348-L350 PolarHBondContact O-N 2.91Å; R348-R368 HydrophobicContact CB-CG 4.11Å; R348-N458 PolarHBondContact NH1-O 3.12Å; R348-D503 VanDerWaalsContact CB-OD2 3.31Å; R348-D503 WeakPolarHBondContact CB-OD2 3.43Å; R348-D503 VanDerWaalsContact CG-OD2 3.3Å; R348-D503 WeakPolarHBondContact CG-OD2 3.4Å; R348-D503 IonicContact CZ-OD1 2.72Å; R348-D503 IonicContact CZ-OD2 2.75Å; R348-D503 PolarHBondContact N-OD2 2.72Å; R348-D503 VanDerWaalsContact NE-CG 3.33Å; R348-D503 IonicContact NE-OD1 3.29Å; R348-D503 PolarHBondContact NE-OD1 2.91Å; R348-D503 IonicContact NE-OD2 3.22Å; R348-D503 PolarHBondContact NE-OD2 2.83Å; R348-D503 IonicContact NH2-OD1 3.37Å; R348-D503 PolarHBondContact NH2-OD1 3.42Å; R348-D503 IonicContact NH2-OD2 3.49Å |
| 349 | G | 96.5 | Very high | 95.9 | Very high | 61 Ų | 61 | 64.4 Ų | 64.4 | 63% | 0.629 | 35% | 0.352 | S | S | * | . | P | Polyproline II helix | trans | -54.3 | 136.4 | 178.8 | 0 | 0 | 0 | 0 | 0 | 112.3 | R368 G369 | G349-R368 CarbonylContact O-C 3.53Å; G349-R368 WeakPolarHBondContact O-CA 3.35Å; G349-G369 PolarHBondContact O-N 3.06Å |
| 350 | L | 98.4 | Very high | 96.1 | Very high | 37 Ų | 37 | 65.9 Ų | 65.9 | 19% | 0.194 | 36% | 0.361 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.5 | 128.6 | -177.3 | -68.7 | 164 | 0 | 0 | 0 | 110 | R348 F366 T367 R368 I556 V559 | R348-L350 PolarHBondContact O-N 2.91Å; L350-F366 HydrophobicContact CD2-CE1 4.39Å; L350-F366 HydrophobicContact CD2-CE2 4.14Å; L350-F366 HydrophobicContact CD2-CZ 3.62Å; L350-T367 WeakPolarHBondContact CA-O 3.5Å; L350-R368 HydrophobicContact CD2-CB 3.74Å; L350-R368 HydrophobicContact CD2-CG 3.68Å; L350-I556 HydrophobicContact CD1-CB 4.48Å; L350-I556 HydrophobicContact CD1-CG1 3.98Å; L350-I556 HydrophobicContact CD2-CG1 4.5Å; L350-V559 HydrophobicContact CB-CG1 3.9Å; L350-V559 HydrophobicContact CD1-CB 4.02Å; L350-V559 HydrophobicContact CD1-CG1 4.28Å; L350-V559 HydrophobicContact CD1-CG2 3.83Å |
| 351 | D | 98.4 | Very high | 96.3 | Very high | 70 Ų | 70 | 65.2 Ų | 65.2 | 37% | 0.374 | 36% | 0.356 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -124 | 126.8 | 166.1 | -172.8 | 67.8 | 0 | 0 | 0 | 108.3 | R353 T367 | D351-R353 IonicContact OD2-CZ 2.71Å; D351-R353 IonicContact OD2-NE 2.73Å; D351-R353 PolarHBondContact OD2-NE 3.46Å; D351-R353 IonicContact OD2-NH2 3.19Å; D351-R353 PolarHBondContact OD2-NH2 3.18Å; D351-T367 PolarHBondContact N-O 2.91Å; D351-T367 PolarHBondContact O-N 3.37Å |
| 352 | V | 98.5 | Very high | 96.7 | Very high | 22 Ų | 22 | 63.1 Ų | 63.1 | 13% | 0.133 | 34% | 0.335 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.7 | 125.1 | -172.9 | -178.8 | 0 | 0 | 0 | 0 | 109.3 | F366 L471 V559 A563 | V352-F366 HydrophobicContact CG2-CD2 3.88Å; V352-F366 HydrophobicContact CG2-CE2 4.02Å; V352-L471 HydrophobicContact CG1-CD1 3.35Å; V352-L471 HydrophobicContact CG1-CD2 3.74Å; V352-L471 HydrophobicContact CG1-CG 4.18Å; V352-V559 HydrophobicContact CG2-CG1 4.16Å; V352-A563 HydrophobicContact CB-CB 4.15Å; V352-A563 HydrophobicContact CG1-CB 3.64Å |
| 353 | R | 98.2 | Very high | 96.8 | Very high | 137 Ų | 137 | 62.5 Ų | 62.5 | 52% | 0.517 | 33% | 0.333 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.2 | 143.9 | 177.2 | -52 | -177.3 | -170.8 | -162.1 | -2.1 | 110.4 | D351 V356 A364 L365 | D351-R353 IonicContact OD2-CZ 2.71Å; D351-R353 IonicContact OD2-NE 2.73Å; D351-R353 PolarHBondContact OD2-NE 3.46Å; D351-R353 IonicContact OD2-NH2 3.19Å; D351-R353 PolarHBondContact OD2-NH2 3.18Å; R353-V356 HydrophobicContact CB-CG1 3.57Å; R353-A364 CarbonylContact O-C 3.52Å; R353-A364 WeakPolarHBondContact O-CA 3.47Å; R353-A364 WeakPolarHBondContact O-CB 3.36Å; R353-L365 HydrophobicContact CB-CB 4.31Å; R353-L365 PolarHBondContact N-O 3.48Å; R353-L365 PolarHBondContact O-N 3.33Å |
| 354 | T | 97.6 | Very high | 97 | Very high | 33 Ų | 33 | 57.7 Ų | 57.7 | 20% | 0.202 | 31% | 0.31 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123 | 155.1 | 175.9 | 55.3 | 0 | 0 | 0 | 0 | 110.1 | V356 S363 L471 I564 | T354-V356 VanDerWaalsContact C-N 3.28Å; T354-V356 PolarHBondContact O-N 2.79Å; T354-S363 CarbonylContact C-O 3.44Å; T354-S363 WeakPolarHBondContact CA-O 3.35Å; T354-L471 HydrophobicContact CG2-CB 4.21Å; T354-L471 HydrophobicContact CG2-CD2 4.16Å; T354-I564 HydrophobicContact CG2-CB 4.24Å; T354-I564 HydrophobicContact CG2-CG2 3.7Å |
| 355 | G | 96.2 | Very high | 97.2 | Very high | 40 Ų | 40 | 53.8 Ų | 53.8 | 41% | 0.412 | 30% | 0.295 | S | S | . | . | trans | 65.7 | 30.4 | 179.4 | 0 | 0 | 0 | 0 | 0 | 113.5 | L357 S363 D475 | G355-L357 VanDerWaalsContact C-N 3.3Å; G355-L357 PolarHBondContact O-N 2.7Å; G355-S363 WeakPolarHBondContact CA-OG 3.27Å; G355-S363 PolarHBondContact N-O 2.8Å; G355-D475 WeakPolarHBondContact CA-OD2 3.48Å; G355-D475 PolarHBondContact N-OD1 2.88Å; G355-D475 PolarHBondContact N-OD2 2.63Å; G355-D475 VanDerWaalsContact N-OD2 3.15Å | ||
| 356 | V | 97.3 | Very high | 97.4 | Very high | 53 Ų | 53 | 49.3 Ų | 49.3 | 32% | 0.321 | 27% | 0.27 | S | S | . | . | trans | -72.6 | -21.2 | -176.5 | -66.8 | 0 | 0 | 0 | 0 | 113.5 | R353 T354 S363 L365 L374 | R353-V356 HydrophobicContact CB-CG1 3.57Å; T354-V356 VanDerWaalsContact C-N 3.28Å; T354-V356 PolarHBondContact O-N 2.79Å; V356-S363 PolarHBondContact N-OG 3.4Å; V356-L365 HydrophobicContact CG1-CB 4.02Å; V356-L365 HydrophobicContact CG2-CB 4.31Å; V356-L374 HydrophobicContact CG2-CD1 3.63Å | ||
| 357 | L | 97.9 | Very high | 97.5 | Very high | 62 Ų | 62 | 46 Ų | 46 | 33% | 0.325 | 26% | 0.255 | S | S | . | . | S | Bend | trans | -114.1 | 129.3 | 176.6 | -63.1 | 178.2 | 0 | 0 | 0 | 110.4 | G355 R359 T360 S363 L374 T376 | G355-L357 VanDerWaalsContact C-N 3.3Å; G355-L357 PolarHBondContact O-N 2.7Å; L357-R359 PolarHBondContact O-N 3.39Å; L357-T360 HydrophobicContact CB-CG2 4.01Å; L357-T360 WeakPolarHBondContact CB-OG1 3.3Å; L357-T360 HydrophobicContact CD1-CG2 3.85Å; L357-T360 PolarHBondContact O-OG1 3.31Å; L357-S363 PolarHBondContact N-OG 3.45Å; L357-L374 HydrophobicContact CD1-CD1 4.29Å; L357-L374 HydrophobicContact CD1-CD2 4.39Å; L357-L374 HydrophobicContact CG-CD1 4.38Å; L357-T376 HydrophobicContact CD1-CG2 3.61Å |
| 358 | P | 93.5 | Very high | 97.5 | Very high | 114 Ų | 114 | 44.6 Ų | 44.6 | 74% | 0.74 | 25% | 0.248 | S | C | * | . | S | Bend | trans | -76.1 | -21 | -167.5 | 27.8 | -35.8 | 0 | 0 | 0 | 115.2 | F574 | P358-F574 VanDerWaalsContact O-CE2 3.29Å; P358-F574 WeakPolarHBondContact O-CE2 3.38Å |
| 359 | R | 94.7 | Very high | 97.4 | Very high | 179 Ų | 179 | 45.3 Ų | 45.3 | 68% | 0.675 | 26% | 0.26 | S | S | * | . | S | Bend | trans | -113.1 | -16.9 | -172.7 | -66.8 | -171.2 | 69.9 | 86.6 | 3.5 | 114.7 | L357 | L357-R359 PolarHBondContact O-N 3.39Š|
| 360 | T | 96.3 | Very high | 97.3 | Very high | 37 Ų | 37 | 45.5 Ų | 45.5 | 23% | 0.227 | 25% | 0.245 | C | C | . | . | S | Bend | trans | -67.5 | 153.3 | 174.6 | 50.8 | 0 | 0 | 0 | 0 | 109.5 | L357 G362 S363 T376 | L357-T360 HydrophobicContact CB-CG2 4.01Å; L357-T360 WeakPolarHBondContact CB-OG1 3.3Å; L357-T360 HydrophobicContact CD1-CG2 3.85Å; L357-T360 PolarHBondContact O-OG1 3.31Å; T360-G362 VanDerWaalsContact C-N 3.35Å; T360-S363 WeakPolarHBondContact OG1-CB 3.26Å; T360-T376 HydrophobicContact CG2-CG2 3.93Å |
| 361 | H | 97.7 | Very high | 97.2 | Very high | 26 Ų | 26 | 43.7 Ų | 43.7 | 12% | 0.12 | 24% | 0.235 | C | C | . | . | S | Bend | trans | -68.9 | -39.3 | -179.2 | -53.8 | 167.1 | 0 | 0 | 0 | 111.3 | A377 L379 A476 S572 F574 A575 | H361-A377 WeakPolarHBondContact CB-O 3.34Å; H361-A377 PolarHBondContact N-O 3.02Å; H361-L379 HydrophobicContact CB-CG 4.32Å; H361-L379 PolarHBondContact CE1-O 2.83Å; H361-L379 VanDerWaalsContact CE1-O 3.25Å; H361-L379 WeakPolarHBondContact ND1-CB 3.18Å; H361-L379 PolarHBondContact ND1-N 2.98Å; H361-A476 HydrophobicContact CB-CB 4.44Å; H361-A476 WeakPolarHBondContact O-CA 3.4Å; H361-S572 WeakPolarHBondContact O-CB 3.26Å; H361-F574 PolarHBondContact NE2-O 2.91Å; H361-A575 HydrophobicContact CB-CB 4.3Å; H361-A575 WeakPolarHBondContact NE2-CA 3.35Å |
| 362 | G | 98.2 | Very high | 97.2 | Very high | 0 Ų | 0 | 42.2 Ų | 42.2 | 0% | 0 | 23% | 0.226 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -144.1 | 153.6 | 163.4 | 0 | 0 | 0 | 0 | 0 | 111 | T360 T376 A377 D475 | T360-G362 VanDerWaalsContact C-N 3.35Å; G362-T376 CarbonylContact O-C 3.6Å; G362-T376 WeakPolarHBondContact O-CA 3.42Å; G362-A377 PolarHBondContact N-O 2.96Å; G362-A377 VanDerWaalsContact N-O 3.09Å; G362-A377 PolarHBondContact O-N 3.2Å; G362-D475 WeakPolarHBondContact CA-OD2 3.32Å |
| 363 | S | 98.5 | Very high | 97.2 | Very high | 1 Ų | 1 | 41.1 Ų | 41.1 | 1% | 0.007 | 22% | 0.22 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -149.2 | 151.4 | 177.8 | 57.9 | 0 | 0 | 0 | 0 | 111.8 | T354 G355 V356 L357 T360 V375 D475 | T354-S363 CarbonylContact C-O 3.44Å; T354-S363 WeakPolarHBondContact CA-O 3.35Å; G355-S363 WeakPolarHBondContact CA-OG 3.27Å; G355-S363 PolarHBondContact N-O 2.8Å; V356-S363 PolarHBondContact N-OG 3.4Å; L357-S363 PolarHBondContact N-OG 3.45Å; T360-S363 WeakPolarHBondContact OG1-CB 3.26Å; S363-V375 CarbonylContact C-O 3.55Å; S363-V375 VanDerWaalsContact CA-O 3.26Å; S363-V375 WeakPolarHBondContact CA-O 3.5Å; S363-D475 PolarHBondContact N-OD2 2.99Å |
| 364 | A | 98.7 | Very high | 97.2 | Very high | 0 Ų | 0 | 36.7 Ų | 36.7 | 0% | 0 | 21% | 0.206 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -144.8 | 145.6 | 173.2 | 0 | 0 | 0 | 0 | 0 | 110.9 | R353 V375 L471 A472 | R353-A364 CarbonylContact O-C 3.52Å; R353-A364 WeakPolarHBondContact O-CA 3.47Å; R353-A364 WeakPolarHBondContact O-CB 3.36Å; A364-V375 PolarHBondContact N-O 3.44Å; A364-V375 PolarHBondContact O-N 3.33Å; A364-L471 HydrophobicContact CB-CB 3.46Å; A364-L471 VanDerWaalsContact CB-CB 3.46Å; A364-L471 HydrophobicContact CB-CD1 4.29Å; A364-A472 HydrophobicContact CB-CB 4.2Å |
| 365 | L | 98.7 | Very high | 97.3 | Very high | 31 Ų | 31 | 35.1 Ų | 35.1 | 16% | 0.162 | 20% | 0.196 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.5 | 109.9 | 164.4 | -170.7 | 69.8 | 0 | 0 | 0 | 107 | R353 V356 Q372 L374 | R353-L365 HydrophobicContact CB-CB 4.31Å; R353-L365 PolarHBondContact N-O 3.48Å; R353-L365 PolarHBondContact O-N 3.33Å; V356-L365 HydrophobicContact CG1-CB 4.02Å; V356-L365 HydrophobicContact CG2-CB 4.31Å; L365-Q372 HydrophobicContact CD1-CG 3.66Å; L365-Q372 HydrophobicContact CG-CG 4.11Å; L365-L374 HydrophobicContact CD1-CB 3.97Å; L365-L374 HydrophobicContact CD1-CD1 4.28Å |
| 366 | F | 98.7 | Very high | 97.4 | Very high | 0 Ų | 0 | 34.3 Ų | 34.3 | 0% | 0 | 18% | 0.183 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.1 | 123.3 | 176.1 | -179.3 | -88.5 | 0 | 0 | 0 | 108.9 | L350 V352 R368 Q372 A373 A464 C467 L471 I556 M560 | L350-F366 HydrophobicContact CD2-CE1 4.39Å; L350-F366 HydrophobicContact CD2-CE2 4.14Å; L350-F366 HydrophobicContact CD2-CZ 3.62Å; V352-F366 HydrophobicContact CG2-CD2 3.88Å; V352-F366 HydrophobicContact CG2-CE2 4.02Å; F366-R368 HydrophobicContact CE1-CB 3.86Å; F366-R368 HydrophobicContact CZ-CB 4.35Å; F366-Q372 WeakPolarHBondContact O-CA 3.4Å; F366-A373 PolarHBondContact N-O 3.17Å; F366-A373 PolarHBondContact O-N 3.48Å; F366-A464 HydrophobicContact CD1-CB 3.78Å; F366-A464 HydrophobicContact CE1-CB 4.05Å; F366-C467 HydrophobicContact CD1-CB 4.03Å; F366-C467 HydrophobicContact CD2-CB 3.53Å; F366-C467 HydrophobicContact CE1-CB 3.93Å; F366-C467 HydrophobicContact CE2-CB 3.43Å; F366-C467 VanDerWaalsContact CE2-CB 3.43Å; F366-C467 HydrophobicContact CG-CB 3.83Å; F366-C467 HydrophobicContact CZ-CB 3.64Å; F366-L471 HydrophobicContact CB-CD1 4.35Å; F366-L471 HydrophobicContact CD2-CD1 3.91Å; F366-I556 HydrophobicContact CE2-CG2 4.17Å; F366-I556 HydrophobicContact CZ-CG2 4.09Å; F366-M560 HydrophobicContact CE2-CG 4.29Å |
| 367 | T | 98.6 | Very high | 97.5 | Very high | 19 Ų | 19 | 31.8 Ų | 31.8 | 12% | 0.117 | 17% | 0.168 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.4 | 131 | 178.2 | -48.7 | 0 | 0 | 0 | 0 | 109.5 | L350 D351 G369 T371 Q372 | L350-T367 WeakPolarHBondContact CA-O 3.5Å; D351-T367 PolarHBondContact N-O 2.91Å; D351-T367 PolarHBondContact O-N 3.37Å; T367-G369 VanDerWaalsContact CG2-O 3.26Å; T367-G369 WeakPolarHBondContact CG2-O 3.37Å; T367-T371 WeakPolarHBondContact CA-O 3.46Å; T367-Q372 HydrophobicContact CG2-CB 4.34Å; T367-Q372 HydrophobicContact CG2-CG 4.47Å; T367-Q372 WeakPolarHBondContact OG1-CG 3.34Å; T367-Q372 PolarHBondContact OG1-NE2 3.35Å |
| 368 | R | 97.6 | Very high | 97.5 | Very high | 0 Ų | 0 | 31.1 Ų | 31.1 | 0% | 0 | 17% | 0.167 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -133 | 100.9 | 171.4 | -176 | 170.1 | 66.2 | -148.5 | -9.4 | 109.2 | I347 R348 G349 L350 F366 E370 T371 S460 G486 D503 | I347-R368 HydrophobicContact CG2-CG 4.41Å; R348-R368 HydrophobicContact CB-CG 4.11Å; G349-R368 CarbonylContact O-C 3.53Å; G349-R368 WeakPolarHBondContact O-CA 3.35Å; L350-R368 HydrophobicContact CD2-CB 3.74Å; L350-R368 HydrophobicContact CD2-CG 3.68Å; F366-R368 HydrophobicContact CE1-CB 3.86Å; F366-R368 HydrophobicContact CZ-CB 4.35Å; R368-E370 PolarHBondContact O-N 3.13Å; R368-T371 PolarHBondContact N-O 3.45Å; R368-T371 PolarHBondContact O-N 3.34Å; R368-T371 VanDerWaalsContact O-N 3.11Å; R368-S460 PolarHBondContact NH2-O 2.91Å; R368-S460 PolarHBondContact NH2-OG 3.33Å; R368-G486 PolarHBondContact NH1-O 3.39Å; R368-D503 WeakPolarHBondContact CD-OD2 3.29Å; R368-D503 IonicContact CZ-OD1 2.67Å; R368-D503 IonicContact NE-OD1 3.89Å; R368-D503 PolarHBondContact NE-OD1 3.04Å; R368-D503 IonicContact NE-OD2 2.79Å; R368-D503 IonicContact NH2-OD1 2.8Å |
| 369 | G | 94.6 | Very high | 97.7 | Very high | 30 Ų | 30 | 25.9 Ų | 25.9 | 31% | 0.309 | 13% | 0.132 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 53.3 | -132.2 | -166.3 | 0 | 0 | 0 | 0 | 0 | 110.8 | G349 T367 T371 | G349-G369 PolarHBondContact O-N 3.06Å; T367-G369 VanDerWaalsContact CG2-O 3.26Å; T367-G369 WeakPolarHBondContact CG2-O 3.37Å; G369-T371 PolarHBondContact O-N 2.94Å |
| 370 | E | 94 | Very high | 97.7 | Very high | 64 Ų | 64 | 17.8 Ų | 17.8 | 30% | 0.299 | 11% | 0.105 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -84.8 | 25.9 | 177.6 | -54.3 | 166.5 | 117.3 | 0 | 0 | 113.1 | K286 R368 E456 S457 N458 | K286-E370 WeakPolarHBondContact CB-OE1 3.1Å; R368-E370 PolarHBondContact O-N 3.13Å; E370-E456 CarbonylContact O-C 3.54Å; E370-S457 CarbonylContact O-C 3.59Å; E370-S457 PolarHBondContact O-N 2.82Å; E370-N458 HydrophobicContact CB-CB 3.81Å; E370-N458 PolarHBondContact O-N 2.91Å; E370-N458 VanDerWaalsContact O-N 3.08Å; E370-N458 PolarHBondContact OE2-ND2 3.13Å |
| 371 | T | 97.2 | Very high | 97.4 | Very high | 0 Ų | 0 | 16.4 Ų | 16.4 | 0% | 0 | 10% | 0.096 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.8 | 115.9 | 172.3 | -65.7 | 0 | 0 | 0 | 0 | 109 | T367 R368 G369 E456 N458 G459 A464 | T367-T371 WeakPolarHBondContact CA-O 3.46Å; R368-T371 PolarHBondContact N-O 3.45Å; R368-T371 PolarHBondContact O-N 3.34Å; R368-T371 VanDerWaalsContact O-N 3.11Å; G369-T371 PolarHBondContact O-N 2.94Å; T371-E456 CarbonylContact C-O 3.49Å; T371-E456 WeakPolarHBondContact CA-O 3.37Å; T371-N458 PolarHBondContact OG1-N 3Å; T371-N458 PolarHBondContact OG1-O 3.27Å; T371-G459 WeakPolarHBondContact CG2-O 3.46Å; T371-G459 PolarHBondContact OG1-O 2.96Å; T371-A464 HydrophobicContact CG2-CB 3.83Å |
| 372 | Q | 98.4 | Very high | 97 | Very high | 38 Ų | 38 | 17.3 Ų | 17.3 | 18% | 0.178 | 11% | 0.108 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.2 | 133.7 | -175.2 | -170.6 | 176.9 | 93.4 | 0 | 0 | 111.5 | L365 F366 T367 T455 E456 | L365-Q372 HydrophobicContact CD1-CG 3.66Å; L365-Q372 HydrophobicContact CG-CG 4.11Å; F366-Q372 WeakPolarHBondContact O-CA 3.4Å; T367-Q372 HydrophobicContact CG2-CB 4.34Å; T367-Q372 HydrophobicContact CG2-CG 4.47Å; T367-Q372 WeakPolarHBondContact OG1-CG 3.34Å; T367-Q372 PolarHBondContact OG1-NE2 3.35Å; Q372-T455 WeakPolarHBondContact CB-OG1 3.34Å; Q372-T455 WeakPolarHBondContact CG-OG1 3.38Å; Q372-T455 PolarHBondContact O-N 3.44Å; Q372-T455 PolarHBondContact O-OG1 3.48Å; Q372-T455 VanDerWaalsContact O-OG1 3.13Å; Q372-T455 PolarHBondContact OE1-OG1 3.02Å; Q372-T455 VanDerWaalsContact OE1-OG1 3.1Å; Q372-E456 HydrophobicContact CB-CB 3.9Å; Q372-E456 HydrophobicContact CB-CG 4.22Å; Q372-E456 PolarHBondContact N-O 3.14Å; Q372-E456 PolarHBondContact O-N 2.92Å |
| 373 | A | 98.7 | Very high | 96.5 | Very high | 0 Ų | 0 | 24.5 Ų | 24.5 | 0% | 0 | 14% | 0.135 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.3 | 119.6 | 177.2 | 0 | 0 | 0 | 0 | 0 | 110.1 | F366 V375 I454 A464 | F366-A373 PolarHBondContact N-O 3.17Å; F366-A373 PolarHBondContact O-N 3.48Å; A373-V375 HydrophobicContact CB-CG2 3.94Å; A373-I454 HydrophobicContact CB-CD1 3.8Å; A373-A464 HydrophobicContact CB-CB 4.1Å |
| 374 | L | 98.8 | Very high | 96.2 | Very high | 43 Ų | 43 | 29 Ų | 29 | 23% | 0.225 | 16% | 0.159 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -89.3 | 110.9 | 165.8 | 175.4 | 63.7 | 0 | 0 | 0 | 107.7 | V356 L357 L365 E453 T455 | V356-L374 HydrophobicContact CG2-CD1 3.63Å; L357-L374 HydrophobicContact CD1-CD1 4.29Å; L357-L374 HydrophobicContact CD1-CD2 4.39Å; L357-L374 HydrophobicContact CG-CD1 4.38Å; L365-L374 HydrophobicContact CD1-CB 3.97Å; L365-L374 HydrophobicContact CD1-CD1 4.28Å; L374-E453 HydrophobicContact CB-CB 4.39Å; L374-E453 PolarHBondContact N-O 2.97Å; L374-E453 PolarHBondContact O-N 3.19Å; L374-T455 HydrophobicContact CB-CG2 4.23Å |
| 375 | V | 98.9 | Very high | 96 | Very high | 0 Ų | 0 | 29.7 Ų | 29.7 | 0% | 0 | 17% | 0.165 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.9 | 137 | -174.4 | -169.1 | 0 | 0 | 0 | 0 | 110.1 | S363 A364 A373 V450 V451 A469 A472 | S363-V375 CarbonylContact C-O 3.55Å; S363-V375 VanDerWaalsContact CA-O 3.26Å; S363-V375 WeakPolarHBondContact CA-O 3.5Å; A364-V375 PolarHBondContact N-O 3.44Å; A364-V375 PolarHBondContact O-N 3.33Å; A373-V375 HydrophobicContact CB-CG2 3.94Å; V375-V450 HydrophobicContact CG1-CG1 3.55Å; V375-V451 CarbonylContact C-O 3.48Å; V375-V451 WeakPolarHBondContact CA-O 3.45Å; V375-A469 HydrophobicContact CG1-CB 4.2Å; V375-A472 HydrophobicContact CB-CB 4.37Å; V375-A472 HydrophobicContact CG1-CB 4.18Å |
| 376 | T | 98.7 | Very high | 95.8 | Very high | 23 Ų | 23 | 31.7 Ų | 31.7 | 14% | 0.141 | 17% | 0.173 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.9 | 146.2 | 179 | 63.6 | 0 | 0 | 0 | 0 | 110.4 | L357 T360 G362 V450 V451 | L357-T376 HydrophobicContact CD1-CG2 3.61Å; T360-T376 HydrophobicContact CG2-CG2 3.93Å; G362-T376 CarbonylContact O-C 3.6Å; G362-T376 WeakPolarHBondContact O-CA 3.42Å; T376-V450 VanDerWaalsContact O-CA 3.24Å; T376-V450 WeakPolarHBondContact O-CA 3.39Å; T376-V451 PolarHBondContact N-O 3.38Å; T376-V451 PolarHBondContact O-N 3.36Å |
| 377 | A | 98.6 | Very high | 95.4 | Very high | 0 Ų | 0 | 35.7 Ų | 35.7 | 0% | 0 | 20% | 0.198 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.4 | 130.2 | 170.9 | 0 | 0 | 0 | 0 | 0 | 109 | H361 G362 R449 V450 A472 L473 A476 | H361-A377 WeakPolarHBondContact CB-O 3.34Å; H361-A377 PolarHBondContact N-O 3.02Å; G362-A377 PolarHBondContact N-O 2.96Å; G362-A377 VanDerWaalsContact N-O 3.09Å; G362-A377 PolarHBondContact O-N 3.2Å; A377-R449 WeakPolarHBondContact CA-O 3.46Å; A377-V450 HydrophobicContact CB-CG2 4.43Å; A377-A472 HydrophobicContact CB-CB 4.22Å; A377-L473 HydrophobicContact CB-CD2 4.24Å; A377-A476 HydrophobicContact CB-CB 3.86Å |
| 378 | T | 98.3 | Very high | 94.9 | Very high | 49 Ų | 49 | 36.3 Ų | 36.3 | 30% | 0.301 | 20% | 0.2 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.7 | 139.3 | 177.1 | -51.6 | 0 | 0 | 0 | 0 | 108.8 | V448 R449 | T378-V448 WeakPolarHBondContact O-CA 3.35Å; T378-R449 PolarHBondContact N-O 3.26Å; T378-R449 PolarHBondContact O-N 3.43Å |
| 379 | L | 97.4 | Very high | 94.3 | Very high | 4 Ų | 4 | 40.4 Ų | 40.4 | 2% | 0.021 | 22% | 0.222 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.1 | 126.9 | -178 | -53.6 | -177.8 | 0 | 0 | 0 | 108.3 | H361 F444 Y446 T447 V448 V478 I571 A575 P576 | H361-L379 HydrophobicContact CB-CG 4.32Å; H361-L379 PolarHBondContact CE1-O 2.83Å; H361-L379 VanDerWaalsContact CE1-O 3.25Å; H361-L379 WeakPolarHBondContact ND1-CB 3.18Å; H361-L379 PolarHBondContact ND1-N 2.98Å; L379-F444 HydrophobicContact CD1-CE1 4.5Å; L379-F444 HydrophobicContact CD1-CZ 3.91Å; L379-F444 HydrophobicContact CD2-CE1 3.91Å; L379-F444 HydrophobicContact CD2-CZ 4.11Å; L379-Y446 HydrophobicContact CB-CD1 3.77Å; L379-Y446 HydrophobicContact CB-CE1 4.3Å; L379-Y446 HydrophobicContact CB-CG 4.27Å; L379-T447 CarbonylContact C-O 3.56Å; L379-T447 WeakPolarHBondContact CA-O 3Å; L379-V448 HydrophobicContact CD2-CG1 4.4Å; L379-V448 HydrophobicContact CD2-CG2 3.91Å; L379-V478 HydrophobicContact CD2-CG2 3.78Å; L379-I571 HydrophobicContact CD1-CB 4.12Å; L379-I571 HydrophobicContact CD1-CD1 4.49Å; L379-I571 HydrophobicContact CD1-CG2 3.88Å; L379-A575 HydrophobicContact CB-CB 4.43Å; L379-A575 HydrophobicContact CD1-CB 4.06Å; L379-P576 WeakPolarHBondContact O-CD 3.34Å |
| 380 | G | 94.5 | Very high | 94 | Very high | 9 Ų | 9 | 41.9 Ų | 41.9 | 9% | 0.093 | 22% | 0.221 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129 | 177.6 | 178.5 | 0 | 0 | 0 | 0 | 0 | 111.7 | D384 Y446 T447 | G380-D384 WeakPolarHBondContact CA-OD2 3.35Å; G380-Y446 WeakPolarHBondContact O-CA 3.39Å; G380-Y446 WeakPolarHBondContact O-CD1 3.4Å; G380-T447 PolarHBondContact N-O 3.25Å; G380-T447 PolarHBondContact O-N 2.98Å |
| 381 | T | 90.9 | Very high | 93.7 | Very high | 7 Ų | 7 | 39.2 Ų | 39.2 | 4% | 0.043 | 21% | 0.209 | C | C | . | . | trans | -88.7 | -180 | 178.4 | 88.1 | 0 | 0 | 0 | 0 | 111.3 | R383 D384 T447 T609 E611 A621 | T381-R383 PolarHBondContact O-N 3.07Å; T381-R383 PolarHBondContact OG1-N 2.83Å; T381-D384 PolarHBondContact N-OD2 3.5Å; T381-D384 WeakPolarHBondContact O-CB 3.32Å; T381-D384 PolarHBondContact O-N 2.83Å; T381-T447 VanDerWaalsContact O-CB 3.31Å; T381-T447 WeakPolarHBondContact O-CB 3.2Å; T381-T447 PolarHBondContact O-OG1 3.12Å; T381-T609 HydrophobicContact CG2-CG2 4.18Å; T381-E611 WeakPolarHBondContact CB-OE1 3.31Å; T381-E611 PolarHBondContact OG1-OE1 3.25Å; T381-A621 HydrophobicContact CG2-CB 3.51Å | ||
| 382 | A | 88 | Confident | 93.2 | Very high | 45 Ų | 45 | 41.8 Ų | 41.8 | 37% | 0.372 | 22% | 0.221 | S | C | . | . | G | 310 helix | trans | -61.8 | -26.4 | 177.3 | 0 | 0 | 0 | 0 | 0 | 112.4 | D384 A385 E611 | A382-D384 VanDerWaalsContact C-N 3.26Å; A382-D384 PolarHBondContact O-N 3.25Å; A382-A385 WeakPolarHBondContact O-CB 3.29Å; A382-A385 PolarHBondContact O-N 3.01Å; A382-E611 VanDerWaalsContact CB-OE2 3.26Å; A382-E611 WeakPolarHBondContact CB-OE2 3.24Å; A382-E611 PolarHBondContact N-OE1 3.02Å |
| 383 | R | 87.8 | Confident | 92.6 | Very high | 151 Ų | 151 | 41.4 Ų | 41.4 | 57% | 0.57 | 23% | 0.228 | S | C | * | . | G | 310 helix | trans | -67.1 | -22.7 | 173.8 | -66.8 | -179 | -172.8 | -170.6 | 2.5 | 114.3 | T381 A385 I610 E611 | T381-R383 PolarHBondContact O-N 3.07Å; T381-R383 PolarHBondContact OG1-N 2.83Å; R383-A385 VanDerWaalsContact C-N 3.27Å; R383-I610 PolarHBondContact NH2-O 3.11Å; R383-E611 PolarHBondContact N-OE1 3.06Å |
| 384 | D | 93.4 | Very high | 92 | Very high | 97 Ų | 97 | 48.3 Ų | 48.3 | 52% | 0.519 | 26% | 0.26 | S | S | . | . | G | 310 helix | trans | -83.3 | -7.5 | 176.9 | -61.1 | -51.4 | 0 | 0 | 0 | 112.3 | G380 T381 A382 T447 | G380-D384 WeakPolarHBondContact CA-OD2 3.35Å; T381-D384 PolarHBondContact N-OD2 3.5Å; T381-D384 WeakPolarHBondContact O-CB 3.32Å; T381-D384 PolarHBondContact O-N 2.83Å; A382-D384 VanDerWaalsContact C-N 3.26Å; A382-D384 PolarHBondContact O-N 3.25Å; D384-T447 HydrophobicContact CB-CG2 4.32Å |
| 385 | A | 94 | Very high | 91.5 | Very high | 14 Ų | 14 | 51 Ų | 51 | 12% | 0.116 | 27% | 0.267 | C | S | . | . | S | Bend | trans | -63.8 | 145.3 | 176.9 | 0 | 0 | 0 | 0 | 0 | 110.8 | A382 R383 T396 T398 T447 | A382-A385 WeakPolarHBondContact O-CB 3.29Å; A382-A385 PolarHBondContact O-N 3.01Å; R383-A385 VanDerWaalsContact C-N 3.27Å; A385-T396 HydrophobicContact CB-CG2 3.51Å; A385-T398 HydrophobicContact CB-CG2 4.08Å; A385-T447 HydrophobicContact CB-CG2 4.4Å; A385-T447 PolarHBondContact N-OG1 3.15Å |
| 386 | Q | 94.3 | Very high | 91.2 | Very high | 73 Ų | 73 | 54.7 Ų | 54.7 | 34% | 0.341 | 29% | 0.29 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.2 | 117.3 | -179.4 | -173.7 | 176.2 | 11.9 | 0 | 0 | 109.9 | L388 D397 L400 | Q386-L388 HydrophobicContact CG-CD2 3.88Å; Q386-L388 HydrophobicContact CG-CG 4.24Å; Q386-D397 HydrophobicContact CB-CB 4.42Å; Q386-D397 PolarHBondContact N-O 2.82Å; Q386-D397 PolarHBondContact O-N 2.89Å; Q386-L400 HydrophobicContact CB-CD1 4.36Å; Q386-L400 HydrophobicContact CB-CD2 3.56Å |
| 387 | V | 91 | Very high | 91 | Very high | 84 Ų | 84 | 54.7 Ų | 54.7 | 51% | 0.509 | 29% | 0.289 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.1 | 119 | 170.1 | -175.1 | 0 | 0 | 0 | 0 | 108.9 | E394 | V387-E394 VanDerWaalsContact CG1-CD 3.43Å; V387-E394 HydrophobicContact CG1-CG 3.51Å |
| 388 | L | 88.1 | Confident | 90.9 | Very high | 31 Ų | 31 | 56.8 Ų | 56.8 | 16% | 0.162 | 30% | 0.302 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.3 | 115.9 | 178.9 | -62 | 171.3 | 0 | 0 | 0 | 109.1 | Q386 E390 E394 R395 D397 | Q386-L388 HydrophobicContact CG-CD2 3.88Å; Q386-L388 HydrophobicContact CG-CG 4.24Å; L388-E390 HydrophobicContact CB-CG 3.96Å; L388-E390 PolarHBondContact O-N 3.39Å; L388-E394 WeakPolarHBondContact O-CA 3.22Å; L388-R395 PolarHBondContact N-O 2.9Å; L388-R395 PolarHBondContact O-N 2.86Å; L388-D397 HydrophobicContact CD1-CB 4.31Å |
| 389 | D | 84.9 | Confident | 90.8 | Very high | 87 Ų | 87 | 54.8 Ų | 54.8 | 47% | 0.465 | 29% | 0.289 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -86 | 87.3 | 169.1 | -178.4 | 19.5 | 0 | 0 | 0 | 108.5 | R95 | R95-D389 IonicContact CZ-OD1 3.16Å; R95-D389 IonicContact NH1-OD1 3.38Å; R95-D389 PolarHBondContact NH1-OD1 2.88Å; R95-D389 IonicContact NH2-OD1 2.91Å |
| 390 | E | 87.8 | Confident | 90.9 | Very high | 61 Ų | 61 | 55.5 Ų | 55.5 | 29% | 0.285 | 29% | 0.292 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.5 | 163.2 | -179.7 | -59.1 | 178 | 160.3 | 0 | 0 | 110.5 | R95 L388 M392 G393 R395 | R95-E390 PolarHBondContact NH2-O 2.94Å; L388-E390 HydrophobicContact CB-CG 3.96Å; L388-E390 PolarHBondContact O-N 3.39Å; E390-M392 VanDerWaalsContact C-N 3.29Å; E390-M392 PolarHBondContact O-N 3.22Å; E390-G393 WeakPolarHBondContact CB-O 3.26Å; E390-G393 PolarHBondContact N-O 2.84Å; E390-G393 VanDerWaalsContact N-O 3.14Å; E390-G393 PolarHBondContact O-N 3.33Å; E390-R395 IonicContact OE1-CZ 3.48Å; E390-R395 IonicContact OE1-NE 3.33Å; E390-R395 IonicContact OE1-NH2 2.8Å; E390-R395 PolarHBondContact OE1-NH2 3.33Å; E390-R395 IonicContact OE2-CZ 3.95Å; E390-R395 IonicContact OE2-NE 2.75Å; E390-R395 IonicContact OE2-NH2 3.7Å |
| 391 | L | 88.8 | Confident | 91.1 | Very high | 8 Ų | 8 | 55.7 Ų | 55.7 | 4% | 0.042 | 29% | 0.291 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -59.3 | -39.5 | -178.4 | -175.5 | 66 | 0 | 0 | 0 | 112.8 | E88 R89 A92 A93 R95 V140 V143 | E88-L391 HydrophobicContact CB-CB 4.28Å; E88-L391 HydrophobicContact CB-CD2 4.05Å; E88-L391 HydrophobicContact CG-CB 4.28Å; E88-L391 HydrophobicContact CG-CD2 3.96Å; E88-L391 WeakPolarHBondContact OE2-CB 3.46Å; R89-L391 VanDerWaalsContact O-CD1 3.29Å; R89-L391 WeakPolarHBondContact O-CD1 3.49Å; A92-L391 HydrophobicContact CB-CD1 4.36Å; A92-L391 HydrophobicContact CB-CD2 4.35Å; A93-L391 HydrophobicContact CB-CD1 3.91Å; R95-L391 PolarHBondContact NH2-O 3.19Å; V140-L391 HydrophobicContact CB-CD2 4.01Å; V140-L391 HydrophobicContact CG1-CD2 3.64Å; V140-L391 HydrophobicContact CG2-CD2 4.46Å; V143-L391 HydrophobicContact CB-CD2 4.27Å; V143-L391 HydrophobicContact CG1-CD2 4.42Å; V143-L391 HydrophobicContact CG1-CG 4.21Å; V143-L391 HydrophobicContact CG2-CD2 4.42Å |
| 392 | M | 87 | Confident | 91.4 | Very high | 54 Ų | 54 | 58.4 Ų | 58.4 | 27% | 0.266 | 30% | 0.303 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -82.9 | -6.4 | -177.6 | -56.7 | -166.1 | -44 | 0 | 0 | 114.3 | V143 N148 Q190 E390 | V143-M392 HydrophobicContact CG2-CG 4.3Å; N148-M392 HydrophobicContact CB-SD 4.35Å; Q190-M392 HydrophobicContact CG-CE 4.15Å; Q190-M392 HydrophobicContact CG-SD 4.5Å; E390-M392 VanDerWaalsContact C-N 3.29Å; E390-M392 PolarHBondContact O-N 3.22Å |
| 393 | G | 84.7 | Confident | 91.9 | Very high | 30 Ų | 30 | 56.6 Ų | 56.6 | 31% | 0.309 | 29% | 0.287 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | 151.1 | 172.4 | 180 | 0 | 0 | 0 | 0 | 0 | 113 | E390 | E390-G393 WeakPolarHBondContact CB-O 3.26Å; E390-G393 PolarHBondContact N-O 2.84Å; E390-G393 VanDerWaalsContact N-O 3.14Å; E390-G393 PolarHBondContact O-N 3.33Å |
| 394 | E | 86.1 | Confident | 92.3 | Very high | 144 Ų | 144 | 51.7 Ų | 51.7 | 67% | 0.673 | 27% | 0.271 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -83.2 | 134.3 | 170.9 | -170.6 | 177.8 | 109.6 | 0 | 0 | 109.6 | V387 L388 | V387-E394 VanDerWaalsContact CG1-CD 3.43Å; V387-E394 HydrophobicContact CG1-CG 3.51Å; L388-E394 WeakPolarHBondContact O-CA 3.22Å |
| 395 | R | 88.7 | Confident | 92.5 | Very high | 99 Ų | 99 | 49.4 Ų | 49.4 | 37% | 0.374 | 26% | 0.257 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.3 | 135 | 173.3 | 179.6 | 177.7 | 62.3 | -177.9 | -9.5 | 109.8 | L388 E390 | L388-R395 PolarHBondContact N-O 2.9Å; L388-R395 PolarHBondContact O-N 2.86Å; E390-R395 IonicContact OE1-CZ 3.48Å; E390-R395 IonicContact OE1-NE 3.33Å; E390-R395 IonicContact OE1-NH2 2.8Å; E390-R395 PolarHBondContact OE1-NH2 3.33Å; E390-R395 IonicContact OE2-CZ 3.95Å; E390-R395 IonicContact OE2-NE 2.75Å; E390-R395 IonicContact OE2-NH2 3.7Å |
| 396 | T | 92.5 | Very high | 92.6 | Very high | 79 Ų | 79 | 49.7 Ų | 49.7 | 49% | 0.485 | 26% | 0.258 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.8 | 123.9 | 168.3 | -61.1 | 0 | 0 | 0 | 0 | 109.3 | A385 | A385-T396 HydrophobicContact CB-CG2 3.51Å |
| 397 | D | 94.2 | Very high | 92.6 | Very high | 22 Ų | 22 | 47.6 Ų | 47.6 | 12% | 0.118 | 25% | 0.251 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107 | 113.9 | -178.6 | -163.8 | -5.9 | 0 | 0 | 0 | 110 | Q386 L388 F399 L400 K431 | Q386-D397 HydrophobicContact CB-CB 4.42Å; Q386-D397 PolarHBondContact N-O 2.82Å; Q386-D397 PolarHBondContact O-N 2.89Å; L388-D397 HydrophobicContact CD1-CB 4.31Å; D397-F399 PolarHBondContact OD1-N 3.48Å; D397-L400 HydrophobicContact CB-CD2 4.19Å; D397-K431 IonicContact OD1-NZ 3.01Å; D397-K431 PolarHBondContact OD1-NZ 3.26Å; D397-K431 IonicContact OD2-NZ 2.73Å; D397-K431 PolarHBondContact OD2-NZ 3.19Å |
| 398 | T | 96.1 | Very high | 92.8 | Very high | 45 Ų | 45 | 50 Ų | 50 | 28% | 0.276 | 25% | 0.252 | S | S | . | . | S | Bend | trans | -95.1 | -7 | -178.9 | 57.5 | 0 | 0 | 0 | 0 | 112.7 | A385 M441 T447 V448 | A385-T398 HydrophobicContact CB-CG2 4.08Å; T398-M441 HydrophobicContact CG2-CE 4.06Å; T398-M441 HydrophobicContact CG2-CG 4.44Å; T398-M441 HydrophobicContact CG2-SD 3.91Å; T398-T447 CarbonylContact O-C 3.6Å; T398-T447 VanDerWaalsContact O-CA 3.29Å; T398-T447 WeakPolarHBondContact O-CA 3.32Å; T398-T447 WeakPolarHBondContact O-CG2 3.27Å; T398-V448 PolarHBondContact O-N 3.47Å |
| 399 | F | 97.6 | Very high | 93.1 | Very high | 7 Ų | 7 | 48.9 Ų | 48.9 | 3% | 0.031 | 25% | 0.246 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.6 | 95.9 | 177.2 | 177.1 | -131.2 | 0 | 0 | 0 | 111.1 | D397 F401 K431 V434 L435 M438 V448 V450 | D397-F399 PolarHBondContact OD1-N 3.48Å; F399-F401 AromaticContact CZ-CD2 3.98Å; F399-F401 HydrophobicContact CZ-CD2 3.98Å; F399-K431 HydrophobicContact CD1-CD 4.44Å; F399-K431 HydrophobicContact CD1-CG 3.89Å; F399-K431 HydrophobicContact CE1-CG 3.8Å; F399-K431 WeakPolarHBondContact O-CE 3.44Å; F399-K431 PolarHBondContact O-NZ 3.03Å; F399-V434 HydrophobicContact CE1-CB 4.42Å; F399-V434 HydrophobicContact CZ-CB 4.28Å; F399-V434 HydrophobicContact CZ-CG1 4.32Å; F399-L435 HydrophobicContact CB-CD1 4.42Å; F399-L435 HydrophobicContact CD1-CD1 3.61Å; F399-L435 HydrophobicContact CE1-CD1 4.38Å; F399-L435 HydrophobicContact CG-CD1 4.46Å; F399-M438 HydrophobicContact CD1-CG 4.16Å; F399-M438 HydrophobicContact CD2-CE 3.7Å; F399-M438 HydrophobicContact CD2-SD 4.31Å; F399-M438 HydrophobicContact CE1-CG 4.18Å; F399-M438 HydrophobicContact CE1-SD 4.49Å; F399-M438 HydrophobicContact CE2-CE 3.96Å; F399-M438 HydrophobicContact CE2-SD 4.07Å; F399-M438 HydrophobicContact CG-CE 4.12Å; F399-M438 HydrophobicContact CG-CG 4.38Å; F399-M438 HydrophobicContact CZ-CG 4.44Å; F399-M438 HydrophobicContact CZ-SD 4.16Å; F399-V448 CarbonylContact C-O 3.18Å; F399-V448 WeakPolarHBondContact CA-O 3.4Å; F399-V448 HydrophobicContact CD2-CB 4.06Å; F399-V448 HydrophobicContact CD2-CG1 4.13Å; F399-V448 HydrophobicContact CE2-CG1 4.27Å; F399-V450 HydrophobicContact CE2-CB 4.43Å; F399-V450 HydrophobicContact CE2-CG2 3.81Å; F399-V450 HydrophobicContact CZ-CG2 4.45Å |
| 400 | L | 97.9 | Very high | 93.5 | Very high | 18 Ų | 18 | 46.9 Ų | 46.9 | 9% | 0.094 | 24% | 0.237 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -91.8 | 133.4 | -177.3 | -46.9 | -178.2 | 0 | 0 | 0 | 109.8 | Q386 D397 V448 R449 V450 | Q386-L400 HydrophobicContact CB-CD1 4.36Å; Q386-L400 HydrophobicContact CB-CD2 3.56Å; D397-L400 HydrophobicContact CB-CD2 4.19Å; L400-V448 PolarHBondContact N-O 2.62Å; L400-R449 HydrophobicContact CB-CB 4.22Å; L400-R449 HydrophobicContact CB-CG 4.19Å; L400-R449 CarbonylContact O-C 3.57Å; L400-R449 WeakPolarHBondContact O-CA 3.37Å; L400-V450 PolarHBondContact O-N 3.21Å |
| 401 | F | 98.3 | Very high | 93.7 | Very high | 13 Ų | 13 | 47 Ų | 47 | 6% | 0.057 | 26% | 0.255 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.9 | 116.1 | 176.2 | -160.4 | -64.5 | 0 | 0 | 0 | 109.7 | F399 A430 K431 V450 A469 | F399-F401 AromaticContact CZ-CD2 3.98Å; F399-F401 HydrophobicContact CZ-CD2 3.98Å; F401-A430 HydrophobicContact CD1-CB 4.16Å; F401-A430 HydrophobicContact CE1-CB 3.56Å; F401-A430 HydrophobicContact CE2-CB 4.03Å; F401-A430 HydrophobicContact CZ-CB 3.49Å; F401-A430 VanDerWaalsContact CZ-CB 3.49Å; F401-K431 HydrophobicContact CB-CB 3.69Å; F401-K431 HydrophobicContact CB-CD 4.26Å; F401-K431 HydrophobicContact CB-CG 4.09Å; F401-K431 HydrophobicContact CD2-CB 4.39Å; F401-K431 HydrophobicContact CG-CB 4.16Å; F401-V450 WeakPolarHBondContact CA-O 3.1Å; F401-V450 HydrophobicContact CD2-CB 3.9Å; F401-V450 HydrophobicContact CD2-CG1 3.87Å; F401-V450 HydrophobicContact CE1-CG1 4.4Å; F401-V450 HydrophobicContact CE2-CB 4.13Å; F401-V450 HydrophobicContact CE2-CG1 3.58Å; F401-V450 HydrophobicContact CG-CB 4.35Å; F401-V450 HydrophobicContact CG-CG1 4.41Å; F401-V450 HydrophobicContact CZ-CG1 3.85Å; F401-A469 HydrophobicContact CE2-CB 3.51Å; F401-A469 HydrophobicContact CZ-CB 3.93Å |
| 402 | H | 98 | Very high | 93.7 | Very high | 65 Ų | 65 | 53.1 Ų | 53.1 | 30% | 0.301 | 28% | 0.283 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.9 | 134.8 | 177.3 | -57.7 | 96.4 | 0 | 0 | 0 | 110 | R449 V450 V451 S452 | H402-R449 PolarHBondContact ND1-NE 3.31Å; H402-V450 PolarHBondContact N-O 2.66Å; H402-V451 HydrophobicContact CB-CG1 4.45Å; H402-V451 HydrophobicContact CB-CG2 4.37Å; H402-V451 CarbonylContact O-C 3.55Å; H402-V451 WeakPolarHBondContact O-CA 3.5Å; H402-S452 PolarHBondContact O-N 2.83Å |
| 403 | Y | 98.2 | Very high | 94 | Very high | 7 Ų | 7 | 57.4 Ų | 57.4 | 3% | 0.027 | 31% | 0.313 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.4 | 125.6 | 178.5 | 172.5 | -82.5 | 0 | 0 | 0 | 108.7 | F405 E423 H426 G427 I454 S461 S465 | Y403-F405 HydrophobicContact CE1-CB 3.85Å; Y403-F405 HydrophobicContact CE1-CD2 4.24Å; Y403-F405 HydrophobicContact CE1-CG 4.48Å; Y403-F405 VanDerWaalsContact OH-CD2 3.22Å; Y403-F405 WeakPolarHBondContact OH-CD2 3.47Å; Y403-E423 HydrophobicContact CD1-CB 4.03Å; Y403-E423 HydrophobicContact CD1-CG 4.38Å; Y403-E423 HydrophobicContact CE1-CB 4.48Å; Y403-E423 HydrophobicContact CE1-CG 4.42Å; Y403-H426 HydrophobicContact CD1-CB 3.72Å; Y403-H426 HydrophobicContact CD2-CB 4.2Å; Y403-H426 HydrophobicContact CE1-CB 3.67Å; Y403-H426 AromaticContact CE1-ND1 3.76Å; Y403-H426 HydrophobicContact CE2-CB 4.15Å; Y403-H426 HydrophobicContact CG-CB 4Å; Y403-H426 AromaticContact CZ-ND1 3.6Å; Y403-H426 PolarHBondContact OH-ND1 2.96Å; Y403-G427 VanDerWaalsContact CB-CA 3.47Å; Y403-I454 HydrophobicContact CD2-CD1 4.44Å; Y403-I454 HydrophobicContact CD2-CG1 4.34Å; Y403-I454 HydrophobicContact CE1-CG1 4.48Å; Y403-I454 HydrophobicContact CE2-CD1 3.71Å; Y403-I454 HydrophobicContact CE2-CG1 3.54Å; Y403-S461 WeakPolarHBondContact OH-CB 3.44Å; Y403-S461 PolarHBondContact OH-OG 3.5Å; Y403-S465 VanDerWaalsContact CD2-OG 3.27Å; Y403-S465 WeakPolarHBondContact CD2-OG 3.47Å; Y403-S465 WeakPolarHBondContact CE2-OG 3.4Å |
| 404 | N | 97.5 | Very high | 94.2 | Very high | 47 Ų | 47 | 58.2 Ų | 58.2 | 25% | 0.251 | 32% | 0.32 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.7 | 132.6 | -178.9 | -68.6 | -33.3 | 0 | 0 | 0 | 109.9 | P406 S452 E453 I454 | N404-P406 WeakPolarHBondContact O-CD 3.06Å; N404-S452 PolarHBondContact N-O 3.23Å; N404-E453 WeakPolarHBondContact CB-OE2 3.44Å; N404-E453 PolarHBondContact ND2-OE1 3.14Å; N404-I454 WeakPolarHBondContact O-CG1 3.36Å; N404-I454 PolarHBondContact O-N 3.16Å; N404-I454 VanDerWaalsContact O-N 3.08Å |
| 405 | F | 96.5 | Very high | 94.4 | Very high | 49 Ų | 49 | 59.3 Ų | 59.3 | 22% | 0.215 | 33% | 0.328 | C | S | . | . | trans | -125.1 | 78.9 | 179.4 | -162.4 | -92.5 | 0 | 0 | 0 | 109.9 | Y403 S409 V410 E423 I454 S457 | Y403-F405 HydrophobicContact CE1-CB 3.85Å; Y403-F405 HydrophobicContact CE1-CD2 4.24Å; Y403-F405 HydrophobicContact CE1-CG 4.48Å; Y403-F405 VanDerWaalsContact OH-CD2 3.22Å; Y403-F405 WeakPolarHBondContact OH-CD2 3.47Å; F405-S409 WeakPolarHBondContact CE1-OG 3.27Å; F405-V410 HydrophobicContact CE1-CG1 3.75Å; F405-V410 HydrophobicContact CZ-CG1 3.55Å; F405-E423 HydrophobicContact CB-CG 3.85Å; F405-I454 HydrophobicContact CD2-CB 3.98Å; F405-I454 HydrophobicContact CD2-CG1 4.07Å; F405-I454 HydrophobicContact CD2-CG2 3.96Å; F405-I454 HydrophobicContact CE2-CB 4.47Å; F405-I454 HydrophobicContact CE2-CG2 3.95Å; F405-S457 WeakPolarHBondContact CE2-OG 3.49Å | ||
| 406 | P | 95.4 | Very high | 94.5 | Very high | 21 Ų | 21 | 60.4 Ų | 60.4 | 14% | 0.136 | 35% | 0.345 | C | S | . | . | trans | -71.8 | 153 | -177.3 | 29.2 | -33.6 | 0 | 0 | 0 | 111.4 | N404 Y408 S409 I454 | N404-P406 WeakPolarHBondContact O-CD 3.06Å; P406-Y408 HydrophobicContact CB-CD1 3.62Å; P406-Y408 HydrophobicContact CB-CE1 3.33Å; P406-Y408 HydrophobicContact CB-CG 4.36Å; P406-Y408 HydrophobicContact CG-CD1 3.83Å; P406-Y408 HydrophobicContact CG-CD2 4.27Å; P406-Y408 HydrophobicContact CG-CE1 3.23Å; P406-Y408 HydrophobicContact CG-CE2 3.76Å; P406-Y408 HydrophobicContact CG-CG 4.3Å; P406-Y408 WeakPolarHBondContact CG-OH 3.26Å; P406-Y408 PolarHBondContact O-N 3.42Å; P406-Y408 VanDerWaalsContact O-N 3.14Å; P406-S409 VanDerWaalsContact O-CB 3.29Å; P406-S409 WeakPolarHBondContact O-CB 3.5Å; P406-S409 PolarHBondContact O-N 3.23Å; P406-S409 PolarHBondContact O-OG 3.1Å; P406-I454 WeakPolarHBondContact CD-O 3.48Å; P406-I454 WeakPolarHBondContact CG-O 3.22Å | ||
| 407 | P | 95.4 | Very high | 94.3 | Very high | 29 Ų | 29 | 59.7 Ų | 59.7 | 19% | 0.188 | 35% | 0.354 | C | S | . | . | G | 310 helix | trans | -55.9 | -34.4 | -177.2 | -27 | 34.8 | 0 | 0 | 0 | 114.4 | S409 V410 G411 E412 V416 | P407-S409 PolarHBondContact O-N 2.98Å; P407-S409 VanDerWaalsContact O-N 3.12Å; P407-V410 VanDerWaalsContact O-CG2 3.3Å; P407-V410 WeakPolarHBondContact O-CG2 3.43Å; P407-V410 PolarHBondContact O-N 3.13Å; P407-G411 PolarHBondContact O-N 3.09Å; P407-E412 CarbonylContact C-O 3.48Å; P407-E412 VanDerWaalsContact C-O 3.23Å; P407-E412 WeakPolarHBondContact CB-O 3.3Å; P407-E412 PolarHBondContact O-N 2.79Å; P407-V416 HydrophobicContact CG-CG2 4.39Å |
| 408 | Y | 95.1 | Very high | 94.1 | Very high | 135 Ų | 135 | 63.2 Ų | 63.2 | 53% | 0.529 | 38% | 0.38 | S | S | . | . | G | 310 helix | trans | -61.7 | -22.8 | 178.3 | 68.9 | -108.8 | 0 | 0 | 0 | 113.3 | P406 V410 G411 | P406-Y408 HydrophobicContact CB-CD1 3.62Å; P406-Y408 HydrophobicContact CB-CE1 3.33Å; P406-Y408 HydrophobicContact CB-CG 4.36Å; P406-Y408 HydrophobicContact CG-CD1 3.83Å; P406-Y408 HydrophobicContact CG-CD2 4.27Å; P406-Y408 HydrophobicContact CG-CE1 3.23Å; P406-Y408 HydrophobicContact CG-CE2 3.76Å; P406-Y408 HydrophobicContact CG-CG 4.3Å; P406-Y408 WeakPolarHBondContact CG-OH 3.26Å; P406-Y408 PolarHBondContact O-N 3.42Å; P406-Y408 VanDerWaalsContact O-N 3.14Å; Y408-V410 PolarHBondContact O-N 2.91Å; Y408-G411 PolarHBondContact O-N 3.11Å |
| 409 | S | 95 | Very high | 93.9 | Very high | 6 Ų | 6 | 64.3 Ų | 64.3 | 4% | 0.042 | 39% | 0.388 | C | S | . | . | G | 310 helix | trans | -64.7 | -20.1 | -179.9 | 66.2 | 0 | 0 | 0 | 0 | 113.7 | F405 P406 P407 I454 E456 S457 | F405-S409 WeakPolarHBondContact CE1-OG 3.27Å; P406-S409 VanDerWaalsContact O-CB 3.29Å; P406-S409 WeakPolarHBondContact O-CB 3.5Å; P406-S409 PolarHBondContact O-N 3.23Å; P406-S409 PolarHBondContact O-OG 3.1Å; P407-S409 PolarHBondContact O-N 2.98Å; P407-S409 VanDerWaalsContact O-N 3.12Å; S409-I454 WeakPolarHBondContact CB-O 3.34Å; S409-E456 CarbonylContact O-C 3.55Å; S409-S457 PolarHBondContact O-N 3.48Å |
| 410 | V | 92.7 | Very high | 93.6 | Very high | 45 Ų | 45 | 70.4 Ų | 70.4 | 27% | 0.273 | 41% | 0.414 | S | S | . | . | G | 310 helix | trans | -114.3 | 5.2 | 173.7 | -66.8 | 0 | 0 | 0 | 0 | 112.5 | F405 P407 Y408 E412 | F405-V410 HydrophobicContact CE1-CG1 3.75Å; F405-V410 HydrophobicContact CZ-CG1 3.55Å; P407-V410 VanDerWaalsContact O-CG2 3.3Å; P407-V410 WeakPolarHBondContact O-CG2 3.43Å; P407-V410 PolarHBondContact O-N 3.13Å; Y408-V410 PolarHBondContact O-N 2.91Å; V410-E412 HydrophobicContact CG2-CB 4Å; V410-E412 HydrophobicContact CG2-CG 3.91Å |
| 411 | G | 91.1 | Very high | 93.5 | Very high | 64 Ų | 64 | 74 Ų | 74 | 66% | 0.66 | 43% | 0.426 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 76.7 | 17.3 | -178.3 | 0 | 0 | 0 | 0 | 0 | 114.7 | P407 Y408 | P407-G411 PolarHBondContact O-N 3.09Å; Y408-G411 PolarHBondContact O-N 3.11Å |
| 412 | E | 90 | Very high | 93.2 | Very high | 136 Ų | 136 | 79.8 Ų | 79.8 | 64% | 0.636 | 45% | 0.448 | S | S | * | . | trans | -107.9 | 155 | -176 | -65.2 | 177 | -176.6 | 0 | 0 | 112.3 | P407 V410 | P407-E412 CarbonylContact C-O 3.48Å; P407-E412 VanDerWaalsContact C-O 3.23Å; P407-E412 WeakPolarHBondContact CB-O 3.3Å; P407-E412 PolarHBondContact O-N 2.79Å; V410-E412 HydrophobicContact CG2-CB 4Å; V410-E412 HydrophobicContact CG2-CG 3.91Å | ||
| 413 | T | 92.9 | Very high | 93.1 | Very high | 145 Ų | 145 | 78 Ų | 78 | 89% | 0.89 | 44% | 0.439 | S | S | * | . | trans | -81.9 | 140.7 | 165.7 | 61.3 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 414 | G | 89.9 | Confident | 93 | Very high | 46 Ų | 46 | 79 Ų | 79 | 47% | 0.474 | 45% | 0.445 | S | S | . | . | trans | -163.4 | 163.7 | 176.4 | 0 | 0 | 0 | 0 | 0 | 112.7 | V416 | G414-V416 PolarHBondContact O-N 3.15Š| ||
| 415 | M | 89.7 | Confident | 92.9 | Very high | 168 Ų | 168 | 77 Ų | 77 | 83% | 0.828 | 44% | 0.435 | S | S | * | . | trans | -68.7 | 123.1 | 175.5 | -173 | 172.8 | 67.9 | 0 | 0 | 110.2 | ||||
| 416 | V | 90.1 | Very high | 92.9 | Very high | 122 Ų | 122 | 75.1 Ų | 75.1 | 74% | 0.739 | 43% | 0.427 | S | S | * | . | trans | -89.3 | 128.5 | 174.1 | -178.4 | 0 | 0 | 0 | 0 | 109.1 | P407 G414 | P407-V416 HydrophobicContact CG-CG2 4.39Å; G414-V416 PolarHBondContact O-N 3.15Å | ||
| 417 | G | 88.6 | Confident | 93 | Very high | 64 Ų | 64 | 74.2 Ų | 74.2 | 66% | 0.66 | 42% | 0.422 | S | S | * | . | trans | -166.4 | -157 | -176.9 | 0 | 0 | 0 | 0 | 0 | 112.4 | ||||
| 418 | S | 90.2 | Very high | 93.1 | Very high | 95 Ų | 95 | 74.9 Ų | 74.9 | 66% | 0.664 | 42% | 0.421 | S | S | * | . | S | Bend | trans | -63.2 | 149.6 | 175 | -56.4 | 0 | 0 | 0 | 0 | 111.7 | K420 | S418-K420 PolarHBondContact O-N 2.71Š|
| 419 | P | 91.4 | Very high | 93.2 | Very high | 69 Ų | 69 | 68.6 Ų | 68.6 | 45% | 0.448 | 40% | 0.396 | S | S | . | . | trans | -52 | 136.2 | 175.2 | -26.6 | 34.7 | 0 | 0 | 0 | 111.9 | E423 I424 | P419-E423 HydrophobicContact CB-CB 3.95Å; P419-I424 HydrophobicContact CB-CG1 4.27Å | ||
| 420 | K | 92.3 | Very high | 93.3 | Very high | 134 Ų | 134 | 68.3 Ų | 68.3 | 58% | 0.583 | 39% | 0.394 | S | S | * | . | trans | -88.2 | -177.7 | 175.7 | -45.9 | 172.6 | 179.1 | 170.6 | 0 | 109.3 | S418 R422 E423 I424 | S418-K420 PolarHBondContact O-N 2.71Å; K420-R422 PolarHBondContact O-N 3.38Å; K420-R422 VanDerWaalsContact O-N 3.17Å; K420-E423 WeakPolarHBondContact CA-OE2 3.14Å; K420-E423 WeakPolarHBondContact CB-OE2 3.39Å; K420-E423 PolarHBondContact N-OE2 2.7Å; K420-E423 PolarHBondContact O-N 2.98Å; K420-E423 VanDerWaalsContact O-OE2 3.09Å; K420-I424 WeakPolarHBondContact O-CG1 3.44Å; K420-I424 PolarHBondContact O-N 3.11Å; K420-I424 VanDerWaalsContact O-N 3.15Å | ||
| 421 | R | 94.3 | Very high | 93.6 | Very high | 94 Ų | 94 | 66.8 Ų | 66.8 | 36% | 0.355 | 38% | 0.384 | S | S | . | . | H | α-helix | trans | -56.9 | -32.7 | -177.7 | -55.9 | -169.1 | 174.9 | -175.4 | -3.4 | 112.9 | V84 N85 T112 R116 G425 | V84-R421 PolarHBondContact O-NH1 2.92Å; N85-R421 PolarHBondContact ND2-NH2 2.83Å; N85-R421 VanDerWaalsContact ND2-NH2 3.18Å; T112-R421 HydrophobicContact CG2-CB 3.66Å; T112-R421 HydrophobicContact CG2-CG 3.58Å; R116-R421 VanDerWaalsContact CD-O 3.29Å; R116-R421 WeakPolarHBondContact CD-O 3.48Å; R116-R421 PolarHBondContact NH1-O 3.32Å; R421-G425 PolarHBondContact O-N 2.75Å; R421-G425 VanDerWaalsContact O-N 3.12Å |
| 422 | R | 92.6 | Very high | 93.9 | Very high | 135 Ų | 135 | 65.5 Ų | 65.5 | 51% | 0.509 | 36% | 0.359 | S | S | . | . | H | α-helix | trans | -72.4 | -45.2 | -177.3 | -172.4 | 179.4 | -175.6 | -179.8 | 2.9 | 111.3 | K420 G425 H426 | K420-R422 PolarHBondContact O-N 3.38Å; K420-R422 VanDerWaalsContact O-N 3.17Å; R422-G425 PolarHBondContact O-N 2.92Å; R422-H426 PolarHBondContact O-CD2 3.08Å; R422-H426 PolarHBondContact O-N 2.86Å |
| 423 | E | 95.2 | Very high | 94.3 | Very high | 26 Ų | 26 | 59 Ų | 59 | 12% | 0.121 | 33% | 0.329 | C | S | . | . | H | α-helix | trans | -65.2 | -43.4 | -179.9 | -62.8 | 82.6 | 174.5 | 0 | 0 | 110.8 | Y403 F405 P419 K420 G425 H426 G427 | Y403-E423 HydrophobicContact CD1-CB 4.03Å; Y403-E423 HydrophobicContact CD1-CG 4.38Å; Y403-E423 HydrophobicContact CE1-CB 4.48Å; Y403-E423 HydrophobicContact CE1-CG 4.42Å; F405-E423 HydrophobicContact CB-CG 3.85Å; P419-E423 HydrophobicContact CB-CB 3.95Å; K420-E423 WeakPolarHBondContact CA-OE2 3.14Å; K420-E423 WeakPolarHBondContact CB-OE2 3.39Å; K420-E423 PolarHBondContact N-OE2 2.7Å; K420-E423 PolarHBondContact O-N 2.98Å; K420-E423 VanDerWaalsContact O-OE2 3.09Å; E423-G425 PolarHBondContact O-N 3.02Å; E423-H426 PolarHBondContact O-N 3.49Å; E423-G427 PolarHBondContact O-N 3.41Å |
| 424 | I | 96.2 | Very high | 94.5 | Very high | 30 Ų | 30 | 52.1 Ų | 52.1 | 15% | 0.154 | 29% | 0.287 | C | S | . | . | H | α-helix | trans | -57.8 | -48.1 | 172 | -68.7 | 167 | 0 | 0 | 0 | 110.7 | E109 T112 L113 P419 K420 H426 G427 R428 | E109-I424 HydrophobicContact CB-CG2 4.18Å; E109-I424 HydrophobicContact CG-CD1 4.37Å; E109-I424 HydrophobicContact CG-CG1 4.41Å; E109-I424 HydrophobicContact CG-CG2 3.7Å; T112-I424 HydrophobicContact CG2-CD1 4.41Å; L113-I424 HydrophobicContact CD2-CG2 4.14Å; L113-I424 HydrophobicContact CG-CG2 4.22Å; P419-I424 HydrophobicContact CB-CG1 4.27Å; K420-I424 WeakPolarHBondContact O-CG1 3.44Å; K420-I424 PolarHBondContact O-N 3.11Å; K420-I424 VanDerWaalsContact O-N 3.15Å; I424-H426 PolarHBondContact O-N 3.39Å; I424-G427 PolarHBondContact O-N 2.76Å; I424-R428 PolarHBondContact O-N 2.76Å |
| 425 | G | 96.3 | Very high | 94.9 | Very high | 3 Ų | 3 | 52.6 Ų | 52.6 | 3% | 0.031 | 28% | 0.278 | C | S | . | . | H | α-helix | trans | -60.7 | -43.3 | 177.7 | 0 | 0 | 0 | 0 | 0 | 113.5 | R421 R422 E423 R428 L429 | R421-G425 PolarHBondContact O-N 2.75Å; R421-G425 VanDerWaalsContact O-N 3.12Å; R422-G425 PolarHBondContact O-N 2.92Å; E423-G425 PolarHBondContact O-N 3.02Å; G425-R428 PolarHBondContact O-N 3.44Å; G425-L429 PolarHBondContact O-N 3.3Å |
| 426 | H | 96.1 | Very high | 95.2 | Very high | 10 Ų | 10 | 45.7 Ų | 45.7 | 5% | 0.046 | 25% | 0.247 | C | C | . | . | H | α-helix | trans | -67.2 | -41.2 | 177.1 | -77.1 | -164.2 | 0 | 0 | 0 | 112.1 | Y403 R422 E423 I424 L429 A430 | Y403-H426 HydrophobicContact CD1-CB 3.72Å; Y403-H426 HydrophobicContact CD2-CB 4.2Å; Y403-H426 HydrophobicContact CE1-CB 3.67Å; Y403-H426 AromaticContact CE1-ND1 3.76Å; Y403-H426 HydrophobicContact CE2-CB 4.15Å; Y403-H426 HydrophobicContact CG-CB 4Å; Y403-H426 AromaticContact CZ-ND1 3.6Å; Y403-H426 PolarHBondContact OH-ND1 2.96Å; R422-H426 PolarHBondContact O-CD2 3.08Å; R422-H426 PolarHBondContact O-N 2.86Å; E423-H426 PolarHBondContact O-N 3.49Å; I424-H426 PolarHBondContact O-N 3.39Å; H426-L429 PolarHBondContact O-N 2.89Å; H426-A430 PolarHBondContact O-N 2.81Å |
| 427 | G | 97.5 | Very high | 95.6 | Very high | 3 Ų | 3 | 39.9 Ų | 39.9 | 3% | 0.031 | 21% | 0.212 | C | C | . | . | H | α-helix | trans | -61.4 | -44.2 | 174.5 | 0 | 0 | 0 | 0 | 0 | 112.1 | Y403 E423 I424 L429 A430 K431 | Y403-G427 VanDerWaalsContact CB-CA 3.47Å; E423-G427 PolarHBondContact O-N 3.41Å; I424-G427 PolarHBondContact O-N 2.76Å; G427-L429 PolarHBondContact O-N 3.2Å; G427-A430 PolarHBondContact O-N 3.26Å; G427-K431 WeakPolarHBondContact O-CB 3.45Å; G427-K431 PolarHBondContact O-N 3.24Å |
| 428 | R | 97.4 | Very high | 96 | Very high | 43 Ų | 43 | 37.8 Ų | 37.8 | 16% | 0.162 | 19% | 0.185 | C | C | . | . | H | α-helix | trans | -61.5 | -43.5 | 175.4 | -176.6 | 68.2 | -167.1 | -179.8 | 8.9 | 112 | L113 E215 I424 G425 K431 R432 | L113-R428 HydrophobicContact CD1-CB 4.02Å; L113-R428 HydrophobicContact CD1-CG 3.74Å; L113-R428 HydrophobicContact CD2-CB 3.79Å; L113-R428 HydrophobicContact CD2-CG 4.11Å; E215-R428 IonicContact OE2-NH2 3.07Å; E215-R428 PolarHBondContact OE2-NH2 2.89Å; I424-R428 PolarHBondContact O-N 2.76Å; G425-R428 PolarHBondContact O-N 3.44Å; R428-K431 WeakPolarHBondContact O-CB 3.36Å; R428-K431 PolarHBondContact O-N 2.72Å; R428-R432 WeakPolarHBondContact O-CG 3.47Å; R428-R432 PolarHBondContact O-N 3.18Å |
| 429 | L | 97.6 | Very high | 96.3 | Very high | 3 Ų | 3 | 34.4 Ų | 34.4 | 2% | 0.016 | 16% | 0.161 | C | C | . | . | H | α-helix | trans | -61.5 | -47.1 | 176.2 | 176.2 | 61.9 | 0 | 0 | 0 | 111.7 | G425 H426 G427 K431 R432 G433 M463 K517 A527 Q529 | G425-L429 PolarHBondContact O-N 3.3Å; H426-L429 PolarHBondContact O-N 2.89Å; G427-L429 PolarHBondContact O-N 3.2Å; L429-K431 VanDerWaalsContact C-N 3.3Å; L429-K431 PolarHBondContact O-N 3.35Å; L429-R432 PolarHBondContact O-N 2.88Å; L429-G433 PolarHBondContact O-N 2.78Å; L429-M463 HydrophobicContact CD2-CE 3.41Å; L429-M463 VanDerWaalsContact CD2-CE 3.41Å; L429-M463 HydrophobicContact CG-CE 3.82Å; L429-K517 HydrophobicContact CD2-CB 4.03Å; L429-K517 HydrophobicContact CD2-CD 3.35Å; L429-K517 HydrophobicContact CD2-CG 4.33Å; L429-A527 HydrophobicContact CD1-CB 4.21Å; L429-Q529 HydrophobicContact CD1-CB 3.63Å; L429-Q529 HydrophobicContact CD2-CB 3.78Å; L429-Q529 HydrophobicContact CD2-CG 4.3Å; L429-Q529 HydrophobicContact CG-CB 4.32Å |
| 430 | A | 98.1 | Very high | 96.4 | Very high | 0 Ų | 0 | 34.6 Ų | 34.6 | 0% | 0 | 16% | 0.158 | C | C | . | . | H | α-helix | trans | -62.8 | -40.1 | 179.9 | 0 | 0 | 0 | 0 | 0 | 111.6 | F401 H426 G427 G433 V434 V466 | F401-A430 HydrophobicContact CD1-CB 4.16Å; F401-A430 HydrophobicContact CE1-CB 3.56Å; F401-A430 HydrophobicContact CE2-CB 4.03Å; F401-A430 HydrophobicContact CZ-CB 3.49Å; F401-A430 VanDerWaalsContact CZ-CB 3.49Å; H426-A430 PolarHBondContact O-N 2.81Å; G427-A430 PolarHBondContact O-N 3.26Å; A430-G433 PolarHBondContact O-N 2.63Å; A430-V434 PolarHBondContact O-N 2.95Å; A430-V466 HydrophobicContact CB-CG2 3.94Å |
| 431 | K | 98.3 | Very high | 96.2 | Very high | 13 Ų | 13 | 31.7 Ų | 31.7 | 6% | 0.057 | 15% | 0.148 | C | C | . | . | H | α-helix | trans | -54.8 | -53.1 | 171.3 | -176.1 | 171.4 | 169 | 160 | 0 | 111.9 | D397 F399 F401 G427 R428 L429 G433 V434 L435 | D397-K431 IonicContact OD1-NZ 3.01Å; D397-K431 PolarHBondContact OD1-NZ 3.26Å; D397-K431 IonicContact OD2-NZ 2.73Å; D397-K431 PolarHBondContact OD2-NZ 3.19Å; F399-K431 HydrophobicContact CD1-CD 4.44Å; F399-K431 HydrophobicContact CD1-CG 3.89Å; F399-K431 HydrophobicContact CE1-CG 3.8Å; F399-K431 WeakPolarHBondContact O-CE 3.44Å; F399-K431 PolarHBondContact O-NZ 3.03Å; F401-K431 HydrophobicContact CB-CB 3.69Å; F401-K431 HydrophobicContact CB-CD 4.26Å; F401-K431 HydrophobicContact CB-CG 4.09Å; F401-K431 HydrophobicContact CD2-CB 4.39Å; F401-K431 HydrophobicContact CG-CB 4.16Å; G427-K431 WeakPolarHBondContact O-CB 3.45Å; G427-K431 PolarHBondContact O-N 3.24Å; R428-K431 WeakPolarHBondContact O-CB 3.36Å; R428-K431 PolarHBondContact O-N 2.72Å; L429-K431 VanDerWaalsContact C-N 3.3Å; L429-K431 PolarHBondContact O-N 3.35Å; K431-G433 PolarHBondContact O-N 2.74Å; K431-V434 PolarHBondContact O-N 3.35Å; K431-V434 VanDerWaalsContact O-N 3.07Å; K431-L435 WeakPolarHBondContact O-CB 3.33Å; K431-L435 PolarHBondContact O-N 3.33Å |
| 432 | R | 97.7 | Very high | 95.9 | Very high | 37 Ų | 37 | 33.5 Ų | 33.5 | 14% | 0.14 | 17% | 0.165 | C | C | . | . | H | α-helix | trans | -56.6 | -40.2 | 178.6 | -73.5 | -173.2 | 168.4 | 142.9 | -3 | 112.2 | E213 E215 R428 L429 V434 A527 | E213-R432 VanDerWaalsContact CD-NH1 3.35Å; E213-R432 VanDerWaalsContact CG-NH1 3.33Å; E213-R432 IonicContact OE1-CZ 3.81Å; E213-R432 IonicContact OE1-NH1 3.79Å; E213-R432 PolarHBondContact OE1-NH1 2.93Å; E213-R432 IonicContact OE1-NH2 3.96Å; E215-R432 HydrophobicContact CB-CB 4.49Å; E215-R432 HydrophobicContact CB-CG 4.18Å; E215-R432 HydrophobicContact CG-CB 4.17Å; E215-R432 HydrophobicContact CG-CG 3.97Å; E215-R432 VanDerWaalsContact OE2-CG 3.29Å; E215-R432 WeakPolarHBondContact OE2-CG 3.26Å; E215-R432 IonicContact OE2-NE 3.38Å; E215-R432 PolarHBondContact OE2-NE 3.32Å; R428-R432 WeakPolarHBondContact O-CG 3.47Å; R428-R432 PolarHBondContact O-N 3.18Å; L429-R432 PolarHBondContact O-N 2.88Å; R432-V434 PolarHBondContact O-N 2.86Å; R432-A527 HydrophobicContact CB-CB 3.92Å |
| 433 | G | 97.5 | Very high | 95.7 | Very high | 0 Ų | 0 | 33.7 Ų | 33.7 | 0% | 0 | 17% | 0.169 | C | C | . | . | H | α-helix | trans | -57.3 | -35.6 | 177.2 | 0 | 0 | 0 | 0 | 0 | 113.3 | L429 A430 K431 V484 S526 | L429-G433 PolarHBondContact O-N 2.78Å; A430-G433 PolarHBondContact O-N 2.63Å; K431-G433 PolarHBondContact O-N 2.74Å; G433-V484 VanDerWaalsContact O-CG1 3.29Å; G433-V484 WeakPolarHBondContact O-CG1 3.4Å; G433-S526 WeakPolarHBondContact CA-OG 3.39Å; G433-S526 WeakPolarHBondContact O-CB 3.21Å; G433-S526 PolarHBondContact O-OG 3.3Å |
| 434 | V | 98.1 | Very high | 95.7 | Very high | 0 Ų | 0 | 33.2 Ų | 33.2 | 0% | 0 | 17% | 0.167 | C | C | . | . | H | α-helix | trans | -100.7 | -21.6 | -174.8 | -172.4 | 0 | 0 | 0 | 0 | 112.8 | F399 A430 K431 R432 A436 V437 M438 V466 A469 L473 | F399-V434 HydrophobicContact CE1-CB 4.42Å; F399-V434 HydrophobicContact CZ-CB 4.28Å; F399-V434 HydrophobicContact CZ-CG1 4.32Å; A430-V434 PolarHBondContact O-N 2.95Å; K431-V434 PolarHBondContact O-N 3.35Å; K431-V434 VanDerWaalsContact O-N 3.07Å; R432-V434 PolarHBondContact O-N 2.86Å; V434-A436 VanDerWaalsContact C-N 3.26Å; V434-A436 PolarHBondContact O-N 3.48Å; V434-A436 VanDerWaalsContact O-N 3.14Å; V434-V437 HydrophobicContact CG1-CG2 3.98Å; V434-V437 WeakPolarHBondContact O-CG2 3.46Å; V434-V437 PolarHBondContact O-N 3.01Å; V434-V437 VanDerWaalsContact O-N 3.08Å; V434-M438 HydrophobicContact CG1-SD 4.22Å; V434-M438 PolarHBondContact O-N 2.83Å; V434-V466 HydrophobicContact CG2-CG1 4.19Å; V434-A469 HydrophobicContact CG2-CB 4.1Å; V434-L473 HydrophobicContact CG1-CD1 3.45Å; V434-L473 VanDerWaalsContact CG1-CD1 3.45Å |
| 435 | L | 97.2 | Very high | 95.5 | Very high | 55 Ų | 55 | 33.3 Ų | 33.3 | 29% | 0.288 | 17% | 0.17 | S | C | . | . | H | α-helix | trans | -56.2 | -38.1 | -173 | -169.3 | 71.8 | 0 | 0 | 0 | 113.2 | E215 F399 K431 V437 M438 | E215-L435 WeakPolarHBondContact OE1-CD2 3.29Å; F399-L435 HydrophobicContact CB-CD1 4.42Å; F399-L435 HydrophobicContact CD1-CD1 3.61Å; F399-L435 HydrophobicContact CE1-CD1 4.38Å; F399-L435 HydrophobicContact CG-CD1 4.46Å; K431-L435 WeakPolarHBondContact O-CB 3.33Å; K431-L435 PolarHBondContact O-N 3.33Å; L435-V437 PolarHBondContact O-N 2.88Å; L435-M438 WeakPolarHBondContact O-CB 3.34Å; L435-M438 PolarHBondContact O-N 2.91Å; L435-M438 VanDerWaalsContact O-N 3.11Å |
| 436 | A | 97.3 | Very high | 95.4 | Very high | 23 Ų | 23 | 34 Ų | 34 | 19% | 0.19 | 17% | 0.171 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -60.8 | -26.4 | -178.9 | 0 | 0 | 0 | 0 | 0 | 114.4 | A216 L218 V434 | A216-A436 VanDerWaalsContact O-CB 3.32Å; A216-A436 WeakPolarHBondContact O-CB 3.29Å; L218-A436 HydrophobicContact CD2-CB 4.41Å; L218-A436 HydrophobicContact CG-CB 4.31Å; V434-A436 VanDerWaalsContact C-N 3.26Å; V434-A436 PolarHBondContact O-N 3.48Å; V434-A436 VanDerWaalsContact O-N 3.14Å |
| 437 | V | 97.8 | Very high | 95.5 | Very high | 0 Ų | 0 | 33.8 Ų | 33.8 | 0% | 0 | 17% | 0.17 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -99.6 | -3.8 | -179.8 | -61.2 | 0 | 0 | 0 | 0 | 113.1 | L218 V434 L435 I480 K481 A482 V484 | L218-V437 HydrophobicContact CD1-CG1 4.17Å; L218-V437 HydrophobicContact CD2-CG1 4.38Å; V434-V437 HydrophobicContact CG1-CG2 3.98Å; V434-V437 WeakPolarHBondContact O-CG2 3.46Å; V434-V437 PolarHBondContact O-N 3.01Å; V434-V437 VanDerWaalsContact O-N 3.08Å; L435-V437 PolarHBondContact O-N 2.88Å; V437-I480 HydrophobicContact CB-CB 4.41Å; V437-I480 HydrophobicContact CG2-CB 4.19Å; V437-I480 CarbonylContact O-C 3.51Å; V437-I480 VanDerWaalsContact O-CA 3.23Å; V437-I480 WeakPolarHBondContact O-CA 3.45Å; V437-I480 WeakPolarHBondContact O-CB 3.48Å; V437-K481 HydrophobicContact CB-CB 4.32Å; V437-K481 PolarHBondContact O-N 3.38Å; V437-A482 WeakPolarHBondContact CB-O 3.38Å; V437-A482 HydrophobicContact CG1-CB 4.14Å; V437-A482 WeakPolarHBondContact CG2-O 3.16Å; V437-V484 HydrophobicContact CB-CG2 4.3Å; V437-V484 HydrophobicContact CG1-CG2 3.68Å; V437-V484 HydrophobicContact CG2-CG2 3.6Å |
| 438 | M | 97.9 | Very high | 95.5 | Very high | 20 Ų | 20 | 33.8 Ų | 33.8 | 10% | 0.099 | 17% | 0.17 | C | C | . | . | P | Polyproline II helix | trans | -64.3 | 144.4 | 178.7 | -68.9 | -61.3 | -68.8 | 0 | 0 | 111 | F399 V434 L435 V448 L473 V478 I480 | F399-M438 HydrophobicContact CD1-CG 4.16Å; F399-M438 HydrophobicContact CD2-CE 3.7Å; F399-M438 HydrophobicContact CD2-SD 4.31Å; F399-M438 HydrophobicContact CE1-CG 4.18Å; F399-M438 HydrophobicContact CE1-SD 4.49Å; F399-M438 HydrophobicContact CE2-CE 3.96Å; F399-M438 HydrophobicContact CE2-SD 4.07Å; F399-M438 HydrophobicContact CG-CE 4.12Å; F399-M438 HydrophobicContact CG-CG 4.38Å; F399-M438 HydrophobicContact CZ-CG 4.44Å; F399-M438 HydrophobicContact CZ-SD 4.16Å; V434-M438 HydrophobicContact CG1-SD 4.22Å; V434-M438 PolarHBondContact O-N 2.83Å; L435-M438 WeakPolarHBondContact O-CB 3.34Å; L435-M438 PolarHBondContact O-N 2.91Å; L435-M438 VanDerWaalsContact O-N 3.11Å; M438-V448 HydrophobicContact CE-CB 4.06Å; M438-V448 HydrophobicContact CE-CG1 4.17Å; M438-V448 HydrophobicContact CE-CG2 4.04Å; M438-L473 HydrophobicContact CE-CD2 4.4Å; M438-L473 HydrophobicContact SD-CD1 3.82Å; M438-L473 HydrophobicContact SD-CD2 4.39Å; M438-V478 HydrophobicContact CE-CG1 4.31Å; M438-I480 HydrophobicContact SD-CG2 4.05Å |
| 439 | P | 96.3 | Very high | 95.6 | Very high | 25 Ų | 25 | 36.9 Ų | 36.9 | 16% | 0.162 | 18% | 0.182 | C | C | . | . | P | Polyproline II helix | trans | -71.5 | 156.5 | 173.1 | 31.3 | -36.3 | 0 | 0 | 0 | 111.5 | F444 V478 P479 | P439-F444 HydrophobicContact CB-CB 3.85Å; P439-F444 HydrophobicContact CG-CB 3.6Å; P439-F444 HydrophobicContact CG-CD1 4.08Å; P439-F444 HydrophobicContact CG-CG 4.05Å; P439-V478 HydrophobicContact CG-CG1 3.96Å; P439-P479 HydrophobicContact CB-CG 4.07Å; P439-P479 HydrophobicContact CG-CG 4.1Å |
| 440 | D | 92.6 | Very high | 95.6 | Very high | 72 Ų | 72 | 36.8 Ų | 36.8 | 39% | 0.385 | 18% | 0.181 | S | C | . | . | P | Polyproline II helix | trans | -72.8 | 152.2 | 172.3 | -53.1 | -47.2 | 0 | 0 | 0 | 110.6 | D442 K443 F444 | D440-D442 VanDerWaalsContact C-N 3.25Å; D440-D442 WeakPolarHBondContact CB-OD1 3.36Å; D440-D442 PolarHBondContact O-N 2.65Å; D440-K443 HydrophobicContact CB-CD 4.48Å; D440-K443 PolarHBondContact O-N 3.06Å; D440-K443 VanDerWaalsContact O-N 3.09Å; D440-K443 IonicContact OD2-NZ 3.83Å; D440-K443 PolarHBondContact OD2-NZ 3.47Å; D440-F444 PolarHBondContact O-N 2.88Å |
| 441 | M | 89.2 | Confident | 95.7 | Very high | 73 Ų | 73 | 37.1 Ų | 37.1 | 36% | 0.36 | 18% | 0.183 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -65.2 | -23.7 | -176.2 | -76.1 | -64.8 | -66.1 | 0 | 0 | 114.1 | T398 F444 P445 | T398-M441 HydrophobicContact CG2-CE 4.06Å; T398-M441 HydrophobicContact CG2-CG 4.44Å; T398-M441 HydrophobicContact CG2-SD 3.91Å; M441-F444 CarbonylContact O-C 3.54Å; M441-P445 WeakPolarHBondContact O-CA 3.3Å; M441-P445 VanDerWaalsContact O-CB 3.31Å; M441-P445 WeakPolarHBondContact O-CB 3.31Å |
| 442 | D | 87.5 | Confident | 95.7 | Very high | 132 Ų | 132 | 36.5 Ų | 36.5 | 71% | 0.706 | 18% | 0.181 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -72.3 | -31.6 | 174.6 | 64.9 | -32.6 | 0 | 0 | 0 | 112.1 | D440 | D440-D442 VanDerWaalsContact C-N 3.25Å; D440-D442 WeakPolarHBondContact CB-OD1 3.36Å; D440-D442 PolarHBondContact O-N 2.65Å |
| 443 | K | 88.8 | Confident | 95.7 | Very high | 139 Ų | 139 | 37.7 Ų | 37.7 | 60% | 0.604 | 19% | 0.188 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -87 | -34 | 177.8 | -66.2 | 169.3 | -169.2 | 150.8 | 0 | 112.6 | D440 | D440-K443 HydrophobicContact CB-CD 4.48Å; D440-K443 PolarHBondContact O-N 3.06Å; D440-K443 VanDerWaalsContact O-N 3.09Å; D440-K443 IonicContact OD2-NZ 3.83Å; D440-K443 PolarHBondContact OD2-NZ 3.47Å |
| 444 | F | 93.7 | Very high | 95.7 | Very high | 16 Ų | 16 | 37.7 Ų | 37.7 | 7% | 0.07 | 19% | 0.188 | C | C | . | . | S | Bend | trans | -140.5 | 86.2 | -179.6 | -163.7 | -106.1 | 0 | 0 | 0 | 109.7 | L379 P439 D440 M441 Y446 V448 V478 P479 I571 | L379-F444 HydrophobicContact CD1-CE1 4.5Å; L379-F444 HydrophobicContact CD1-CZ 3.91Å; L379-F444 HydrophobicContact CD2-CE1 3.91Å; L379-F444 HydrophobicContact CD2-CZ 4.11Å; P439-F444 HydrophobicContact CB-CB 3.85Å; P439-F444 HydrophobicContact CG-CB 3.6Å; P439-F444 HydrophobicContact CG-CD1 4.08Å; P439-F444 HydrophobicContact CG-CG 4.05Å; D440-F444 PolarHBondContact O-N 2.88Å; M441-F444 CarbonylContact O-C 3.54Å; F444-Y446 AromaticContact CD1-CD2 3.86Å; F444-Y446 HydrophobicContact CD1-CD2 3.86Å; F444-Y446 HydrophobicContact CD1-CG 4.33Å; F444-Y446 HydrophobicContact CD2-CD2 4.02Å; F444-Y446 HydrophobicContact CD2-CE2 4.48Å; F444-Y446 AromaticContact CE1-CD2 3.62Å; F444-Y446 HydrophobicContact CE1-CD2 3.62Å; F444-Y446 AromaticContact CE1-CG 3.93Å; F444-Y446 HydrophobicContact CE1-CG 3.93Å; F444-Y446 AromaticContact CE2-CD2 3.79Å; F444-Y446 HydrophobicContact CE2-CD2 3.79Å; F444-Y446 HydrophobicContact CE2-CE2 4.11Å; F444-Y446 HydrophobicContact CG-CD2 4.07Å; F444-Y446 AromaticContact CZ-CD2 3.58Å; F444-Y446 HydrophobicContact CZ-CD2 3.58Å; F444-Y446 HydrophobicContact CZ-CE2 4.19Å; F444-Y446 HydrophobicContact CZ-CG 4.18Å; F444-Y446 PolarHBondContact O-N 3.47Å; F444-V448 HydrophobicContact CD1-CG2 4.44Å; F444-V448 HydrophobicContact CE1-CG2 4.11Å; F444-V478 HydrophobicContact CD1-CG1 4.11Å; F444-V478 HydrophobicContact CE1-CB 4.18Å; F444-V478 HydrophobicContact CE1-CG1 3.89Å; F444-V478 HydrophobicContact CE1-CG2 3.78Å; F444-V478 HydrophobicContact CZ-CB 4.29Å; F444-V478 HydrophobicContact CZ-CG1 4.42Å; F444-V478 HydrophobicContact CZ-CG2 3.91Å; F444-P479 HydrophobicContact CB-CG 4.02Å; F444-P479 HydrophobicContact CD2-CG 3.72Å; F444-P479 HydrophobicContact CE2-CG 4.41Å; F444-P479 HydrophobicContact CG-CG 3.99Å; F444-I571 HydrophobicContact CE2-CG2 4.1Å; F444-I571 HydrophobicContact CZ-CG2 4.21Å |
| 445 | P | 92.5 | Very high | 95.7 | Very high | 33 Ų | 33 | 39.1 Ų | 39.1 | 21% | 0.214 | 20% | 0.196 | C | C | . | . | trans | -78.4 | 46.2 | -167.7 | 32.8 | -37.4 | 0 | 0 | 0 | 113.5 | M441 I578 | M441-P445 WeakPolarHBondContact O-CA 3.3Å; M441-P445 VanDerWaalsContact O-CB 3.31Å; M441-P445 WeakPolarHBondContact O-CB 3.31Å; P445-I578 HydrophobicContact CB-CD1 4.44Å; P445-I578 HydrophobicContact CG-CD1 4.16Å; P445-I578 WeakPolarHBondContact O-CD1 3.06Å | ||
| 446 | Y | 95.4 | Very high | 95.7 | Very high | 18 Ų | 18 | 40.5 Ų | 40.5 | 7% | 0.071 | 20% | 0.201 | C | C | . | . | trans | -116 | 137.2 | -177.6 | -72.8 | -82.3 | 0 | 0 | 0 | 111.3 | L379 G380 F444 V448 I571 P576 I578 | L379-Y446 HydrophobicContact CB-CD1 3.77Å; L379-Y446 HydrophobicContact CB-CE1 4.3Å; L379-Y446 HydrophobicContact CB-CG 4.27Å; G380-Y446 WeakPolarHBondContact O-CA 3.39Å; G380-Y446 WeakPolarHBondContact O-CD1 3.4Å; F444-Y446 AromaticContact CD1-CD2 3.86Å; F444-Y446 HydrophobicContact CD1-CD2 3.86Å; F444-Y446 HydrophobicContact CD1-CG 4.33Å; F444-Y446 HydrophobicContact CD2-CD2 4.02Å; F444-Y446 HydrophobicContact CD2-CE2 4.48Å; F444-Y446 AromaticContact CE1-CD2 3.62Å; F444-Y446 HydrophobicContact CE1-CD2 3.62Å; F444-Y446 AromaticContact CE1-CG 3.93Å; F444-Y446 HydrophobicContact CE1-CG 3.93Å; F444-Y446 AromaticContact CE2-CD2 3.79Å; F444-Y446 HydrophobicContact CE2-CD2 3.79Å; F444-Y446 HydrophobicContact CE2-CE2 4.11Å; F444-Y446 HydrophobicContact CG-CD2 4.07Å; F444-Y446 AromaticContact CZ-CD2 3.58Å; F444-Y446 HydrophobicContact CZ-CD2 3.58Å; F444-Y446 HydrophobicContact CZ-CE2 4.19Å; F444-Y446 HydrophobicContact CZ-CG 4.18Å; F444-Y446 PolarHBondContact O-N 3.47Å; Y446-V448 PolarHBondContact O-N 2.73Å; Y446-I571 HydrophobicContact CE2-CD1 4.43Å; Y446-I571 VanDerWaalsContact OH-CD1 3.3Å; Y446-I571 WeakPolarHBondContact OH-CD1 3.36Å; Y446-P576 HydrophobicContact CE1-CG 4.35Å; Y446-P576 WeakPolarHBondContact CE1-O 3.47Å; Y446-P576 VanDerWaalsContact CZ-O 3.3Å; Y446-P576 PolarHBondContact OH-O 2.97Å; Y446-I578 HydrophobicContact CD1-CD1 3.8Å; Y446-I578 HydrophobicContact CD2-CD1 4.34Å; Y446-I578 HydrophobicContact CE1-CD1 3.51Å; Y446-I578 HydrophobicContact CE1-CG1 3.78Å; Y446-I578 HydrophobicContact CE2-CD1 4.09Å; Y446-I578 HydrophobicContact CG-CD1 4.21Å; Y446-I578 PolarHBondContact OH-N 3.16Å | ||
| 447 | T | 97 | Very high | 95.6 | Very high | 4 Ų | 4 | 40.1 Ų | 40.1 | 3% | 0.025 | 20% | 0.197 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -70.9 | 126.3 | 156.4 | -61.9 | 0 | 0 | 0 | 0 | 107.6 | L379 G380 T381 D384 A385 T398 | L379-T447 CarbonylContact C-O 3.56Å; L379-T447 WeakPolarHBondContact CA-O 3Å; G380-T447 PolarHBondContact N-O 3.25Å; G380-T447 PolarHBondContact O-N 2.98Å; T381-T447 VanDerWaalsContact O-CB 3.31Å; T381-T447 WeakPolarHBondContact O-CB 3.2Å; T381-T447 PolarHBondContact O-OG1 3.12Å; D384-T447 HydrophobicContact CB-CG2 4.32Å; A385-T447 HydrophobicContact CB-CG2 4.4Å; A385-T447 PolarHBondContact N-OG1 3.15Å; T398-T447 CarbonylContact O-C 3.6Å; T398-T447 VanDerWaalsContact O-CA 3.29Å; T398-T447 WeakPolarHBondContact O-CA 3.32Å; T398-T447 WeakPolarHBondContact O-CG2 3.27Å |
| 448 | V | 98.2 | Very high | 95.4 | Very high | 3 Ų | 3 | 40.2 Ų | 40.2 | 2% | 0.018 | 20% | 0.198 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.3 | 121.9 | -178.7 | -178.1 | 0 | 0 | 0 | 0 | 109 | T378 L379 T398 F399 L400 M438 F444 Y446 V450 L473 | T378-V448 WeakPolarHBondContact O-CA 3.35Å; L379-V448 HydrophobicContact CD2-CG1 4.4Å; L379-V448 HydrophobicContact CD2-CG2 3.91Å; T398-V448 PolarHBondContact O-N 3.47Å; F399-V448 CarbonylContact C-O 3.18Å; F399-V448 WeakPolarHBondContact CA-O 3.4Å; F399-V448 HydrophobicContact CD2-CB 4.06Å; F399-V448 HydrophobicContact CD2-CG1 4.13Å; F399-V448 HydrophobicContact CE2-CG1 4.27Å; L400-V448 PolarHBondContact N-O 2.62Å; M438-V448 HydrophobicContact CE-CB 4.06Å; M438-V448 HydrophobicContact CE-CG1 4.17Å; M438-V448 HydrophobicContact CE-CG2 4.04Å; F444-V448 HydrophobicContact CD1-CG2 4.44Å; F444-V448 HydrophobicContact CE1-CG2 4.11Å; Y446-V448 PolarHBondContact O-N 2.73Å; V448-V450 HydrophobicContact CG1-CG2 4.4Å; V448-L473 HydrophobicContact CG1-CD2 3.53Å |
| 449 | R | 98.4 | Very high | 95.1 | Very high | 109 Ų | 109 | 39.7 Ų | 39.7 | 41% | 0.411 | 20% | 0.198 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -110 | 118.9 | 172.1 | 177.9 | 173.9 | 173.9 | -107.3 | 0.5 | 109.9 | A377 T378 L400 H402 V451 | A377-R449 WeakPolarHBondContact CA-O 3.46Å; T378-R449 PolarHBondContact N-O 3.26Å; T378-R449 PolarHBondContact O-N 3.43Å; L400-R449 HydrophobicContact CB-CB 4.22Å; L400-R449 HydrophobicContact CB-CG 4.19Å; L400-R449 CarbonylContact O-C 3.57Å; L400-R449 WeakPolarHBondContact O-CA 3.37Å; H402-R449 PolarHBondContact ND1-NE 3.31Å; R449-V451 HydrophobicContact CG-CG2 4.16Å |
| 450 | V | 98.8 | Very high | 94.9 | Very high | 0 Ų | 0 | 39 Ų | 39 | 0% | 0 | 19% | 0.193 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -101 | 135.4 | 169.2 | 175.3 | 0 | 0 | 0 | 0 | 109.6 | V375 T376 A377 F399 L400 F401 H402 V448 A469 L473 | V375-V450 HydrophobicContact CG1-CG1 3.55Å; T376-V450 VanDerWaalsContact O-CA 3.24Å; T376-V450 WeakPolarHBondContact O-CA 3.39Å; A377-V450 HydrophobicContact CB-CG2 4.43Å; F399-V450 HydrophobicContact CE2-CB 4.43Å; F399-V450 HydrophobicContact CE2-CG2 3.81Å; F399-V450 HydrophobicContact CZ-CG2 4.45Å; L400-V450 PolarHBondContact O-N 3.21Å; F401-V450 WeakPolarHBondContact CA-O 3.1Å; F401-V450 HydrophobicContact CD2-CB 3.9Å; F401-V450 HydrophobicContact CD2-CG1 3.87Å; F401-V450 HydrophobicContact CE1-CG1 4.4Å; F401-V450 HydrophobicContact CE2-CB 4.13Å; F401-V450 HydrophobicContact CE2-CG1 3.58Å; F401-V450 HydrophobicContact CG-CB 4.35Å; F401-V450 HydrophobicContact CG-CG1 4.41Å; F401-V450 HydrophobicContact CZ-CG1 3.85Å; H402-V450 PolarHBondContact N-O 2.66Å; V448-V450 HydrophobicContact CG1-CG2 4.4Å; V450-A469 HydrophobicContact CG1-CB 3.88Å; V450-L473 HydrophobicContact CG2-CD2 3.89Å; V450-L473 HydrophobicContact CG2-CG 4.2Å |
| 451 | V | 98.6 | Very high | 95.1 | Very high | 8 Ų | 8 | 35.9 Ų | 35.9 | 5% | 0.048 | 18% | 0.177 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.2 | 123.1 | 172.4 | -174.6 | 0 | 0 | 0 | 0 | 108.4 | V375 T376 H402 R449 | V375-V451 CarbonylContact C-O 3.48Å; V375-V451 WeakPolarHBondContact CA-O 3.45Å; T376-V451 PolarHBondContact N-O 3.38Å; T376-V451 PolarHBondContact O-N 3.36Å; H402-V451 HydrophobicContact CB-CG1 4.45Å; H402-V451 HydrophobicContact CB-CG2 4.37Å; H402-V451 CarbonylContact O-C 3.55Å; H402-V451 WeakPolarHBondContact O-CA 3.5Å; R449-V451 HydrophobicContact CG-CG2 4.16Å |
| 452 | S | 98.7 | Very high | 95.4 | Very high | 0 Ų | 0 | 32.5 Ų | 32.5 | 0% | 0 | 16% | 0.161 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.9 | 113.1 | 173.9 | 179.8 | 0 | 0 | 0 | 0 | 110 | H402 N404 S465 | H402-S452 PolarHBondContact O-N 2.83Å; N404-S452 PolarHBondContact N-O 3.23Å; S452-S465 WeakPolarHBondContact CB-OG 3.27Å; S452-S465 VanDerWaalsContact OG-CB 3.3Å; S452-S465 WeakPolarHBondContact OG-CB 3.46Å; S452-S465 PolarHBondContact OG-OG 2.94Å |
| 453 | E | 98.1 | Very high | 96 | Very high | 62 Ų | 62 | 26.2 Ų | 26.2 | 29% | 0.29 | 13% | 0.127 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -93.7 | 111.6 | 169.7 | -61.4 | -63.6 | 159.6 | 0 | 0 | 108.6 | L374 N404 T455 | L374-E453 HydrophobicContact CB-CB 4.39Å; L374-E453 PolarHBondContact N-O 2.97Å; L374-E453 PolarHBondContact O-N 3.19Å; N404-E453 WeakPolarHBondContact CB-OE2 3.44Å; N404-E453 PolarHBondContact ND2-OE1 3.14Å; E453-T455 PolarHBondContact O-N 2.87Å |
| 454 | I | 98.3 | Very high | 96.4 | Very high | 0 Ų | 0 | 19.6 Ų | 19.6 | 0% | 0 | 10% | 0.098 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -75.9 | 121.3 | 173 | -57 | -53 | 0 | 0 | 0 | 108.6 | A373 Y403 N404 F405 P406 S409 E456 | A373-I454 HydrophobicContact CB-CD1 3.8Å; Y403-I454 HydrophobicContact CD2-CD1 4.44Å; Y403-I454 HydrophobicContact CD2-CG1 4.34Å; Y403-I454 HydrophobicContact CE1-CG1 4.48Å; Y403-I454 HydrophobicContact CE2-CD1 3.71Å; Y403-I454 HydrophobicContact CE2-CG1 3.54Å; N404-I454 WeakPolarHBondContact O-CG1 3.36Å; N404-I454 PolarHBondContact O-N 3.16Å; N404-I454 VanDerWaalsContact O-N 3.08Å; F405-I454 HydrophobicContact CD2-CB 3.98Å; F405-I454 HydrophobicContact CD2-CG1 4.07Å; F405-I454 HydrophobicContact CD2-CG2 3.96Å; F405-I454 HydrophobicContact CE2-CB 4.47Å; F405-I454 HydrophobicContact CE2-CG2 3.95Å; P406-I454 WeakPolarHBondContact CD-O 3.48Å; P406-I454 WeakPolarHBondContact CG-O 3.22Å; S409-I454 WeakPolarHBondContact CB-O 3.34Å; I454-E456 WeakPolarHBondContact CG2-O 3.05Å |
| 455 | T | 97.8 | Very high | 96.6 | Very high | 30 Ų | 30 | 18.9 Ų | 18.9 | 18% | 0.184 | 10% | 0.095 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.5 | -31.9 | -174.9 | 43.4 | 0 | 0 | 0 | 0 | 112.5 | Q372 L374 E453 | Q372-T455 WeakPolarHBondContact CB-OG1 3.34Å; Q372-T455 WeakPolarHBondContact CG-OG1 3.38Å; Q372-T455 PolarHBondContact O-N 3.44Å; Q372-T455 PolarHBondContact O-OG1 3.48Å; Q372-T455 VanDerWaalsContact O-OG1 3.13Å; Q372-T455 PolarHBondContact OE1-OG1 3.02Å; Q372-T455 VanDerWaalsContact OE1-OG1 3.1Å; L374-T455 HydrophobicContact CB-CG2 4.23Å; E453-T455 PolarHBondContact O-N 2.87Å |
| 456 | E | 96.7 | Very high | 96.9 | Very high | 84 Ų | 84 | 17.3 Ų | 17.3 | 39% | 0.393 | 9% | 0.085 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -139.7 | 146 | 170.5 | -61.3 | 176 | -152 | 0 | 0 | 109 | E370 T371 Q372 S409 I454 | E370-E456 CarbonylContact O-C 3.54Å; T371-E456 CarbonylContact C-O 3.49Å; T371-E456 WeakPolarHBondContact CA-O 3.37Å; Q372-E456 HydrophobicContact CB-CB 3.9Å; Q372-E456 HydrophobicContact CB-CG 4.22Å; Q372-E456 PolarHBondContact N-O 3.14Å; Q372-E456 PolarHBondContact O-N 2.92Å; S409-E456 CarbonylContact O-C 3.55Å; I454-E456 WeakPolarHBondContact CG2-O 3.05Å |
| 457 | S | 95.2 | Very high | 97.1 | Very high | 14 Ų | 14 | 16.4 Ų | 16.4 | 10% | 0.098 | 8% | 0.081 | C | C | . | . | trans | -143.9 | 115.1 | 179.3 | 176.4 | 0 | 0 | 0 | 0 | 112.8 | K286 E370 F405 S409 | K286-S457 PolarHBondContact NZ-O 3.08Å; E370-S457 CarbonylContact O-C 3.59Å; E370-S457 PolarHBondContact O-N 2.82Å; F405-S457 WeakPolarHBondContact CE2-OG 3.49Å; S409-S457 PolarHBondContact O-N 3.48Å | ||
| 458 | N | 93.7 | Very high | 97.2 | Very high | 2 Ų | 2 | 16.2 Ų | 16.2 | 1% | 0.011 | 8% | 0.08 | C | C | . | . | S | Bend | trans | -129 | 61.5 | 161.7 | -167.4 | 9.6 | 0 | 0 | 0 | 110.2 | K286 R348 E370 T371 G506 | K286-N458 HydrophobicContact CD-CB 4.33Å; R348-N458 PolarHBondContact NH1-O 3.12Å; E370-N458 HydrophobicContact CB-CB 3.81Å; E370-N458 PolarHBondContact O-N 2.91Å; E370-N458 VanDerWaalsContact O-N 3.08Å; E370-N458 PolarHBondContact OE2-ND2 3.13Å; T371-N458 PolarHBondContact OG1-N 3Å; T371-N458 PolarHBondContact OG1-O 3.27Å; N458-G506 PolarHBondContact O-N 2.72Å; N458-G506 WeakPolarHBondContact OD1-CA 3.36Å; N458-G506 PolarHBondContact OD1-N 3.08Å |
| 459 | G | 91.9 | Very high | 97.2 | Very high | 10 Ų | 10 | 16.1 Ų | 16.1 | 10% | 0.103 | 8% | 0.079 | C | C | . | . | S | Bend | trans | 88.1 | 157.1 | 179.9 | 0 | 0 | 0 | 0 | 0 | 114.2 | T371 S461 | T371-G459 WeakPolarHBondContact CG2-O 3.46Å; T371-G459 PolarHBondContact OG1-O 2.96Å; G459-S461 VanDerWaalsContact C-N 3.28Å; G459-S461 PolarHBondContact O-N 3.32Å |
| 460 | S | 91.9 | Very high | 97.2 | Very high | 9 Ų | 9 | 10.9 Ų | 10.9 | 6% | 0.063 | 6% | 0.06 | C | C | . | . | trans | 55.4 | 33.2 | 173.9 | -154.3 | 0 | 0 | 0 | 0 | 115.7 | R368 M463 A464 A488 | R368-S460 PolarHBondContact NH2-O 2.91Å; R368-S460 PolarHBondContact NH2-OG 3.33Å; S460-M463 WeakPolarHBondContact O-CB 3.44Å; S460-M463 PolarHBondContact O-N 3.11Å; S460-M463 WeakPolarHBondContact OG-CB 3.38Å; S460-M463 WeakPolarHBondContact OG-CG 3.2Å; S460-A464 PolarHBondContact O-N 3.03Å; S460-A488 WeakPolarHBondContact OG-CB 3.36Å; S460-A488 PolarHBondContact OG-N 2.97Å | ||
| 461 | S | 96.7 | Very high | 97.2 | Very high | 8 Ų | 8 | 10.9 Ų | 10.9 | 6% | 0.056 | 6% | 0.06 | C | C | . | . | H | α-helix | trans | -68.2 | -38.9 | -178.2 | 49.2 | 0 | 0 | 0 | 0 | 113.9 | Y403 G459 M463 A464 S465 | Y403-S461 WeakPolarHBondContact OH-CB 3.44Å; Y403-S461 PolarHBondContact OH-OG 3.5Å; G459-S461 VanDerWaalsContact C-N 3.28Å; G459-S461 PolarHBondContact O-N 3.32Å; S461-M463 PolarHBondContact O-N 2.86Å; S461-A464 WeakPolarHBondContact O-CB 3.14Å; S461-A464 PolarHBondContact O-N 3.21Å; S461-S465 PolarHBondContact O-N 3.33Å; S461-S465 PolarHBondContact O-OG 3.34Å |
| 462 | S | 96.4 | Very high | 97.2 | Very high | 1 Ų | 1 | 10.5 Ų | 10.5 | 1% | 0.007 | 6% | 0.058 | C | C | . | . | H | α-helix | trans | -63.5 | -29.9 | 173.7 | 57.1 | 0 | 0 | 0 | 0 | 112.6 | S465 V466 | S462-S465 WeakPolarHBondContact O-CB 3.37Å; S462-S465 PolarHBondContact O-N 3.2Å; S462-V466 PolarHBondContact O-N 3.41Å |
| 463 | M | 98.4 | Very high | 97.2 | Very high | 1 Ų | 1 | 10.5 Ų | 10.5 | 1% | 0.005 | 6% | 0.058 | C | C | . | . | H | α-helix | trans | -76.8 | -34.8 | 175.3 | -63.6 | -60.2 | 97.2 | 0 | 0 | 111.9 | L429 S460 S461 S465 V466 C467 A488 K517 | L429-M463 HydrophobicContact CD2-CE 3.41Å; L429-M463 VanDerWaalsContact CD2-CE 3.41Å; L429-M463 HydrophobicContact CG-CE 3.82Å; S460-M463 WeakPolarHBondContact O-CB 3.44Å; S460-M463 PolarHBondContact O-N 3.11Å; S460-M463 WeakPolarHBondContact OG-CB 3.38Å; S460-M463 WeakPolarHBondContact OG-CG 3.2Å; S461-M463 PolarHBondContact O-N 2.86Å; M463-S465 VanDerWaalsContact C-N 3.27Å; M463-S465 PolarHBondContact O-N 2.97Å; M463-V466 HydrophobicContact CE-CG2 4.18Å; M463-V466 WeakPolarHBondContact O-CB 3.14Å; M463-V466 PolarHBondContact O-N 2.83Å; M463-C467 PolarHBondContact O-N 3.43Å; M463-C467 VanDerWaalsContact O-N 3.15Å; M463-C467 PolarHBondContact O-SG 3.42Å; M463-C467 VanDerWaalsContact O-SG 3.36Å; M463-A488 HydrophobicContact CG-CB 4.49Å; M463-K517 HydrophobicContact CE-CB 3.94Å; M463-K517 HydrophobicContact CE-CD 4.13Å; M463-K517 HydrophobicContact CE-CG 4.36Å; M463-K517 HydrophobicContact CG-CB 4.31Å; M463-K517 HydrophobicContact CG-CG 4.26Å; M463-K517 HydrophobicContact SD-CB 3.83Å; M463-K517 HydrophobicContact SD-CG 4.39Å |
| 464 | A | 98.4 | Very high | 97.2 | Very high | 0 Ų | 0 | 7.8 Ų | 7.8 | 0% | 0 | 5% | 0.045 | C | C | . | . | H | α-helix | trans | -60.1 | -38.5 | 167.2 | 0 | 0 | 0 | 0 | 0 | 111.4 | F366 T371 A373 S460 S461 V466 C467 G468 | F366-A464 HydrophobicContact CD1-CB 3.78Å; F366-A464 HydrophobicContact CE1-CB 4.05Å; T371-A464 HydrophobicContact CG2-CB 3.83Å; A373-A464 HydrophobicContact CB-CB 4.1Å; S460-A464 PolarHBondContact O-N 3.03Å; S461-A464 WeakPolarHBondContact O-CB 3.14Å; S461-A464 PolarHBondContact O-N 3.21Å; A464-V466 PolarHBondContact O-N 3.02Å; A464-C467 PolarHBondContact O-N 3.14Å; A464-G468 PolarHBondContact O-N 3.15Å |
| 465 | S | 98.7 | Very high | 97.2 | Very high | 0 Ų | 0 | 8.3 Ų | 8.3 | 0% | 0 | 5% | 0.048 | C | C | . | . | H | α-helix | trans | -62 | -37.8 | 172.7 | -55.1 | 0 | 0 | 0 | 0 | 113.3 | Y403 S452 S461 S462 M463 A469 | Y403-S465 VanDerWaalsContact CD2-OG 3.27Å; Y403-S465 WeakPolarHBondContact CD2-OG 3.47Å; Y403-S465 WeakPolarHBondContact CE2-OG 3.4Å; S452-S465 WeakPolarHBondContact CB-OG 3.27Å; S452-S465 VanDerWaalsContact OG-CB 3.3Å; S452-S465 WeakPolarHBondContact OG-CB 3.46Å; S452-S465 PolarHBondContact OG-OG 2.94Å; S461-S465 PolarHBondContact O-N 3.33Å; S461-S465 PolarHBondContact O-OG 3.34Å; S462-S465 WeakPolarHBondContact O-CB 3.37Å; S462-S465 PolarHBondContact O-N 3.2Å; M463-S465 VanDerWaalsContact C-N 3.27Å; M463-S465 PolarHBondContact O-N 2.97Å; S465-A469 WeakPolarHBondContact O-CB 3.43Å; S465-A469 PolarHBondContact O-N 3.4Å |
| 466 | V | 98.7 | Very high | 97.2 | Very high | 0 Ų | 0 | 6.9 Ų | 6.9 | 0% | 0 | 4% | 0.039 | C | C | . | . | H | α-helix | trans | -61.7 | -50.3 | 174.7 | 172.2 | 0 | 0 | 0 | 0 | 110.4 | A430 V434 S462 M463 A464 A469 S470 V484 A519 | A430-V466 HydrophobicContact CB-CG2 3.94Å; V434-V466 HydrophobicContact CG2-CG1 4.19Å; S462-V466 PolarHBondContact O-N 3.41Å; M463-V466 HydrophobicContact CE-CG2 4.18Å; M463-V466 WeakPolarHBondContact O-CB 3.14Å; M463-V466 PolarHBondContact O-N 2.83Å; A464-V466 PolarHBondContact O-N 3.02Å; V466-A469 PolarHBondContact O-N 3.38Å; V466-S470 PolarHBondContact O-N 2.86Å; V466-V484 HydrophobicContact CG1-CB 4.22Å; V466-V484 HydrophobicContact CG1-CG1 3.5Å; V466-A519 HydrophobicContact CG1-CB 4.2Å |
| 467 | C | 98.8 | Very high | 97.2 | Very high | 0 Ų | 0 | 3.3 Ų | 3.3 | 0% | 0 | 3% | 0.025 | C | C | . | . | H | α-helix | trans | -60.9 | -49.3 | 178.6 | -58.7 | 0 | 0 | 0 | 0 | 111.4 | F366 M463 A464 A469 S470 L471 G486 M560 | F366-C467 HydrophobicContact CD1-CB 4.03Å; F366-C467 HydrophobicContact CD2-CB 3.53Å; F366-C467 HydrophobicContact CE1-CB 3.93Å; F366-C467 HydrophobicContact CE2-CB 3.43Å; F366-C467 VanDerWaalsContact CE2-CB 3.43Å; F366-C467 HydrophobicContact CG-CB 3.83Å; F366-C467 HydrophobicContact CZ-CB 3.64Å; M463-C467 PolarHBondContact O-N 3.43Å; M463-C467 VanDerWaalsContact O-N 3.15Å; M463-C467 PolarHBondContact O-SG 3.42Å; M463-C467 VanDerWaalsContact O-SG 3.36Å; A464-C467 PolarHBondContact O-N 3.14Å; C467-A469 VanDerWaalsContact C-N 3.3Å; C467-A469 PolarHBondContact O-N 3.45Å; C467-S470 WeakPolarHBondContact O-CB 3.42Å; C467-S470 PolarHBondContact O-N 2.86Å; C467-L471 WeakPolarHBondContact O-CD1 3.3Å; C467-L471 WeakPolarHBondContact O-CG 3.14Å; C467-L471 PolarHBondContact O-N 3.35Å; C467-L471 VanDerWaalsContact O-N 3.1Å; C467-G486 PolarHBondContact SG-N 3.42Å; C467-M560 HydrophobicContact CB-CE 4.35Å; C467-M560 HydrophobicContact CB-SD 3.97Å |
| 468 | G | 98.7 | Very high | 97.3 | Very high | 0 Ų | 0 | 2.7 Ų | 2.7 | 0% | 0 | 2% | 0.02 | C | C | . | . | H | α-helix | trans | -61.4 | -36.2 | 177.9 | 0 | 0 | 0 | 0 | 0 | 112.9 | A464 L471 A472 | A464-G468 PolarHBondContact O-N 3.15Å; G468-L471 PolarHBondContact O-N 2.84Å; G468-A472 VanDerWaalsContact O-CB 3.3Å; G468-A472 WeakPolarHBondContact O-CB 3.2Å; G468-A472 PolarHBondContact O-N 3.2Å |
| 469 | A | 98.8 | Very high | 97.5 | Very high | 0 Ų | 0 | 5.4 Ų | 5.4 | 0% | 0 | 4% | 0.038 | C | C | . | . | H | α-helix | trans | -66.5 | -45.1 | 175.2 | 0 | 0 | 0 | 0 | 0 | 111.8 | V375 F401 V434 V450 S465 V466 C467 L471 A472 L473 | V375-A469 HydrophobicContact CG1-CB 4.2Å; F401-A469 HydrophobicContact CE2-CB 3.51Å; F401-A469 HydrophobicContact CZ-CB 3.93Å; V434-A469 HydrophobicContact CG2-CB 4.1Å; V450-A469 HydrophobicContact CG1-CB 3.88Å; S465-A469 WeakPolarHBondContact O-CB 3.43Å; S465-A469 PolarHBondContact O-N 3.4Å; V466-A469 PolarHBondContact O-N 3.38Å; C467-A469 VanDerWaalsContact C-N 3.3Å; C467-A469 PolarHBondContact O-N 3.45Å; A469-L471 PolarHBondContact O-N 3.49Å; A469-A472 PolarHBondContact O-N 2.94Å; A469-L473 VanDerWaalsContact O-CB 3.32Å; A469-L473 WeakPolarHBondContact O-CB 3.37Å; A469-L473 WeakPolarHBondContact O-CD1 3.37Å; A469-L473 WeakPolarHBondContact O-CG 3.45Å; A469-L473 PolarHBondContact O-N 3.38Å |
| 470 | S | 98.5 | Very high | 97.7 | Very high | 0 Ų | 0 | 5.4 Ų | 5.4 | 0% | 0 | 4% | 0.036 | C | C | . | . | H | α-helix | trans | -55.6 | -43.2 | 174.8 | -174.3 | 0 | 0 | 0 | 0 | 111.5 | V466 C467 M474 A483 V484 | V466-S470 PolarHBondContact O-N 2.86Å; C467-S470 WeakPolarHBondContact O-CB 3.42Å; C467-S470 PolarHBondContact O-N 2.86Å; S470-M474 WeakPolarHBondContact O-CE 3.49Å; S470-M474 WeakPolarHBondContact O-CG 3.37Å; S470-M474 PolarHBondContact O-N 2.7Å; S470-A483 VanDerWaalsContact OG-CA 3.22Å; S470-A483 WeakPolarHBondContact OG-CA 3.36Å; S470-A483 WeakPolarHBondContact OG-CB 3.5Å; S470-V484 WeakPolarHBondContact CB-O 3.29Å; S470-V484 PolarHBondContact OG-N 2.79Å |
| 471 | L | 98.7 | Very high | 97.9 | Very high | 0 Ų | 0 | 11.4 Ų | 11.4 | 0% | 0 | 6% | 0.061 | C | C | . | . | H | α-helix | trans | -68.3 | -47.3 | 178.2 | -67.3 | 160.7 | 0 | 0 | 0 | 112.3 | V352 T354 A364 F366 C467 G468 A469 L473 M474 D475 M560 I564 | V352-L471 HydrophobicContact CG1-CD1 3.35Å; V352-L471 HydrophobicContact CG1-CD2 3.74Å; V352-L471 HydrophobicContact CG1-CG 4.18Å; T354-L471 HydrophobicContact CG2-CB 4.21Å; T354-L471 HydrophobicContact CG2-CD2 4.16Å; A364-L471 HydrophobicContact CB-CB 3.46Å; A364-L471 VanDerWaalsContact CB-CB 3.46Å; A364-L471 HydrophobicContact CB-CD1 4.29Å; F366-L471 HydrophobicContact CB-CD1 4.35Å; F366-L471 HydrophobicContact CD2-CD1 3.91Å; C467-L471 WeakPolarHBondContact O-CD1 3.3Å; C467-L471 WeakPolarHBondContact O-CG 3.14Å; C467-L471 PolarHBondContact O-N 3.35Å; C467-L471 VanDerWaalsContact O-N 3.1Å; G468-L471 PolarHBondContact O-N 2.84Å; A469-L471 PolarHBondContact O-N 3.49Å; L471-L473 VanDerWaalsContact C-N 3.32Å; L471-L473 PolarHBondContact O-N 2.8Å; L471-M474 HydrophobicContact CD2-CE 4.36Å; L471-M474 PolarHBondContact O-N 2.88Å; L471-D475 WeakPolarHBondContact O-CB 3.36Å; L471-D475 PolarHBondContact O-N 3.48Å; L471-M560 HydrophobicContact CD1-CG 4.36Å; L471-M560 HydrophobicContact CD2-CB 4.07Å; L471-M560 HydrophobicContact CD2-CE 4.34Å; L471-M560 HydrophobicContact CD2-CG 4.29Å; L471-M560 HydrophobicContact CG-CE 4.03Å; L471-M560 HydrophobicContact CG-CG 4.49Å; L471-I564 HydrophobicContact CD2-CG2 3.54Å |
| 472 | A | 98.6 | Very high | 98 | Very high | 0 Ų | 0 | 12.1 Ų | 12.1 | 0% | 0 | 7% | 0.067 | C | C | . | . | H | α-helix | trans | -65.9 | -34.3 | -179.2 | 0 | 0 | 0 | 0 | 0 | 112.3 | A364 V375 A377 G468 A469 A476 | A364-A472 HydrophobicContact CB-CB 4.2Å; V375-A472 HydrophobicContact CB-CB 4.37Å; V375-A472 HydrophobicContact CG1-CB 4.18Å; A377-A472 HydrophobicContact CB-CB 4.22Å; G468-A472 VanDerWaalsContact O-CB 3.3Å; G468-A472 WeakPolarHBondContact O-CB 3.2Å; G468-A472 PolarHBondContact O-N 3.2Å; A469-A472 PolarHBondContact O-N 2.94Å; A472-A476 VanDerWaalsContact O-CB 3.31Å; A472-A476 WeakPolarHBondContact O-CB 3.29Å; A472-A476 PolarHBondContact O-N 3.34Å |
| 473 | L | 98.7 | Very high | 98 | Very high | 0 Ų | 0 | 13 Ų | 13 | 0% | 0 | 7% | 0.074 | C | C | . | . | H | α-helix | trans | -66.4 | -46.4 | 174 | -71.8 | 168.2 | 0 | 0 | 0 | 111.5 | A377 V434 M438 V448 V450 A469 L471 D475 A476 G477 V478 I480 | A377-L473 HydrophobicContact CB-CD2 4.24Å; V434-L473 HydrophobicContact CG1-CD1 3.45Å; V434-L473 VanDerWaalsContact CG1-CD1 3.45Å; M438-L473 HydrophobicContact CE-CD2 4.4Å; M438-L473 HydrophobicContact SD-CD1 3.82Å; M438-L473 HydrophobicContact SD-CD2 4.39Å; V448-L473 HydrophobicContact CG1-CD2 3.53Å; V450-L473 HydrophobicContact CG2-CD2 3.89Å; V450-L473 HydrophobicContact CG2-CG 4.2Å; A469-L473 VanDerWaalsContact O-CB 3.32Å; A469-L473 WeakPolarHBondContact O-CB 3.37Å; A469-L473 WeakPolarHBondContact O-CD1 3.37Å; A469-L473 WeakPolarHBondContact O-CG 3.45Å; A469-L473 PolarHBondContact O-N 3.38Å; L471-L473 VanDerWaalsContact C-N 3.32Å; L471-L473 PolarHBondContact O-N 2.8Å; L473-D475 VanDerWaalsContact C-N 3.34Å; L473-A476 PolarHBondContact O-N 3.48Å; L473-G477 PolarHBondContact O-N 3.33Å; L473-V478 HydrophobicContact CB-CB 4.21Å; L473-V478 HydrophobicContact CD2-CB 4.21Å; L473-V478 HydrophobicContact CD2-CG1 4.31Å; L473-V478 HydrophobicContact CD2-CG2 3.91Å; L473-V478 WeakPolarHBondContact O-CB 3.1Å; L473-V478 PolarHBondContact O-N 2.95Å; L473-I480 HydrophobicContact CB-CD1 4.44Å; L473-I480 HydrophobicContact CB-CG2 4.11Å; L473-I480 HydrophobicContact CD1-CG2 4.11Å |
| 474 | M | 98.3 | Very high | 98 | Very high | 4 Ų | 4 | 12.9 Ų | 12.9 | 2% | 0.02 | 7% | 0.073 | C | C | . | . | H | α-helix | trans | -62.9 | -41.8 | 174.9 | -71.4 | -170.2 | -74.2 | 0 | 0 | 111.6 | S470 L471 A476 G477 I480 A483 I564 P567 R568 | S470-M474 WeakPolarHBondContact O-CE 3.49Å; S470-M474 WeakPolarHBondContact O-CG 3.37Å; S470-M474 PolarHBondContact O-N 2.7Å; L471-M474 HydrophobicContact CD2-CE 4.36Å; L471-M474 PolarHBondContact O-N 2.88Å; M474-A476 VanDerWaalsContact C-N 3.27Å; M474-A476 PolarHBondContact O-N 3.36Å; M474-G477 PolarHBondContact O-N 2.93Å; M474-I480 HydrophobicContact CG-CD1 3.69Å; M474-I480 HydrophobicContact CG-CG1 3.97Å; M474-I480 HydrophobicContact SD-CD1 4.42Å; M474-A483 HydrophobicContact CE-CB 3.97Å; M474-A483 HydrophobicContact SD-CB 4.47Å; M474-I564 HydrophobicContact CB-CD1 3.76Å; M474-I564 HydrophobicContact CB-CG1 4.2Å; M474-I564 HydrophobicContact CB-CG2 4.33Å; M474-I564 HydrophobicContact CE-CG2 3.74Å; M474-I564 HydrophobicContact SD-CG2 4.49Å; M474-P567 HydrophobicContact CG-CG 4.06Å; M474-P567 WeakPolarHBondContact O-CA 3.34Å; M474-R568 PolarHBondContact O-N 2.95Å |
| 475 | D | 98.2 | Very high | 98 | Very high | 12 Ų | 12 | 12.9 Ų | 12.9 | 6% | 0.064 | 7% | 0.073 | C | C | . | . | H | α-helix | trans | -62.8 | -33.7 | 175.6 | -171.5 | 59.3 | 0 | 0 | 0 | 112.2 | G355 G362 S363 L471 L473 G477 R568 | G355-D475 WeakPolarHBondContact CA-OD2 3.48Å; G355-D475 PolarHBondContact N-OD1 2.88Å; G355-D475 PolarHBondContact N-OD2 2.63Å; G355-D475 VanDerWaalsContact N-OD2 3.15Å; G362-D475 WeakPolarHBondContact CA-OD2 3.32Å; S363-D475 PolarHBondContact N-OD2 2.99Å; L471-D475 WeakPolarHBondContact O-CB 3.36Å; L471-D475 PolarHBondContact O-N 3.48Å; L473-D475 VanDerWaalsContact C-N 3.34Å; D475-G477 PolarHBondContact O-N 3.42Å; D475-R568 WeakPolarHBondContact O-CD 3.3Å; D475-R568 PolarHBondContact O-NE 3.45Å; D475-R568 IonicContact OD1-CZ 3.56Å; D475-R568 IonicContact OD1-NE 3.78Å; D475-R568 PolarHBondContact OD1-NE 2.79Å; D475-R568 IonicContact OD1-NH2 2.85Å; D475-R568 PolarHBondContact OD1-NH2 2.88Å |
| 476 | A | 97.5 | Very high | 98 | Very high | 0 Ų | 0 | 12.9 Ų | 12.9 | 0% | 0 | 7% | 0.073 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -74.9 | -4.6 | 174.1 | 0 | 0 | 0 | 0 | 0 | 114.6 | H361 A377 A472 L473 M474 V478 | H361-A476 HydrophobicContact CB-CB 4.44Å; H361-A476 WeakPolarHBondContact O-CA 3.4Å; A377-A476 HydrophobicContact CB-CB 3.86Å; A472-A476 VanDerWaalsContact O-CB 3.31Å; A472-A476 WeakPolarHBondContact O-CB 3.29Å; A472-A476 PolarHBondContact O-N 3.34Å; L473-A476 PolarHBondContact O-N 3.48Å; M474-A476 VanDerWaalsContact C-N 3.27Å; M474-A476 PolarHBondContact O-N 3.36Å; A476-V478 VanDerWaalsContact C-N 3.3Å; A476-V478 HydrophobicContact CB-CG2 4.08Å |
| 477 | G | 96.6 | Very high | 98 | Very high | 9 Ų | 9 | 12.9 Ų | 12.9 | 9% | 0.093 | 7% | 0.073 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 75 | 17.3 | -174.3 | 0 | 0 | 0 | 0 | 0 | 113.8 | L473 M474 D475 P479 R568 | L473-G477 PolarHBondContact O-N 3.33Å; M474-G477 PolarHBondContact O-N 2.93Å; D475-G477 PolarHBondContact O-N 3.42Å; G477-P479 WeakPolarHBondContact O-CD 3.29Å; G477-R568 WeakPolarHBondContact CA-O 3.47Å |
| 478 | V | 97.6 | Very high | 98 | Very high | 0 Ų | 0 | 12.9 Ų | 12.9 | 0% | 0 | 7% | 0.073 | C | C | . | . | trans | -70.9 | 123.1 | 174 | -177.2 | 0 | 0 | 0 | 0 | 108.5 | L379 M438 P439 F444 L473 A476 I480 P567 | L379-V478 HydrophobicContact CD2-CG2 3.78Å; M438-V478 HydrophobicContact CE-CG1 4.31Å; P439-V478 HydrophobicContact CG-CG1 3.96Å; F444-V478 HydrophobicContact CD1-CG1 4.11Å; F444-V478 HydrophobicContact CE1-CB 4.18Å; F444-V478 HydrophobicContact CE1-CG1 3.89Å; F444-V478 HydrophobicContact CE1-CG2 3.78Å; F444-V478 HydrophobicContact CZ-CB 4.29Å; F444-V478 HydrophobicContact CZ-CG1 4.42Å; F444-V478 HydrophobicContact CZ-CG2 3.91Å; L473-V478 HydrophobicContact CB-CB 4.21Å; L473-V478 HydrophobicContact CD2-CB 4.21Å; L473-V478 HydrophobicContact CD2-CG1 4.31Å; L473-V478 HydrophobicContact CD2-CG2 3.91Å; L473-V478 WeakPolarHBondContact O-CB 3.1Å; L473-V478 PolarHBondContact O-N 2.95Å; A476-V478 VanDerWaalsContact C-N 3.3Å; A476-V478 HydrophobicContact CB-CG2 4.08Å; V478-I480 HydrophobicContact CB-CG2 4.44Å; V478-I480 HydrophobicContact CG1-CG2 3.9Å; V478-I480 PolarHBondContact O-N 2.88Å; V478-P567 WeakPolarHBondContact O-CB 3.31Å; V478-P567 VanDerWaalsContact O-CG 3.29Å; V478-P567 WeakPolarHBondContact O-CG 3.48Å | ||
| 479 | P | 96.5 | Very high | 97.9 | Very high | 60 Ų | 60 | 12.9 Ų | 12.9 | 39% | 0.39 | 7% | 0.073 | S | C | . | . | trans | -78.8 | 62.7 | -175.6 | 33.4 | -36.5 | 0 | 0 | 0 | 111.6 | P439 F444 G477 | P439-P479 HydrophobicContact CB-CG 4.07Å; P439-P479 HydrophobicContact CG-CG 4.1Å; F444-P479 HydrophobicContact CB-CG 4.02Å; F444-P479 HydrophobicContact CD2-CG 3.72Å; F444-P479 HydrophobicContact CE2-CG 4.41Å; F444-P479 HydrophobicContact CG-CG 3.99Å; G477-P479 WeakPolarHBondContact O-CD 3.29Å | ||
| 480 | I | 97.8 | Very high | 97.8 | Very high | 10 Ų | 10 | 13 Ų | 13 | 5% | 0.051 | 7% | 0.074 | C | C | . | . | trans | -63.9 | 142.8 | 174.1 | 64.5 | 174.4 | 0 | 0 | 0 | 110.3 | V437 M438 L473 M474 V478 A482 P567 | V437-I480 HydrophobicContact CB-CB 4.41Å; V437-I480 HydrophobicContact CG2-CB 4.19Å; V437-I480 CarbonylContact O-C 3.51Å; V437-I480 VanDerWaalsContact O-CA 3.23Å; V437-I480 WeakPolarHBondContact O-CA 3.45Å; V437-I480 WeakPolarHBondContact O-CB 3.48Å; M438-I480 HydrophobicContact SD-CG2 4.05Å; L473-I480 HydrophobicContact CB-CD1 4.44Å; L473-I480 HydrophobicContact CB-CG2 4.11Å; L473-I480 HydrophobicContact CD1-CG2 4.11Å; M474-I480 HydrophobicContact CG-CD1 3.69Å; M474-I480 HydrophobicContact CG-CG1 3.97Å; M474-I480 HydrophobicContact SD-CD1 4.42Å; V478-I480 HydrophobicContact CB-CG2 4.44Å; V478-I480 HydrophobicContact CG1-CG2 3.9Å; V478-I480 PolarHBondContact O-N 2.88Å; I480-A482 VanDerWaalsContact C-N 3.29Å; I480-A482 WeakPolarHBondContact CD1-O 3.27Å; I480-A482 PolarHBondContact O-N 2.96Å; I480-P567 HydrophobicContact CG1-CG 4.41Å | ||
| 481 | K | 96.3 | Very high | 97.8 | Very high | 135 Ų | 135 | 13 Ų | 13 | 59% | 0.587 | 8% | 0.075 | S | C | * | . | S | Bend | trans | -63.1 | -34.8 | -175.2 | -61.9 | 172.1 | -170.6 | 164.4 | 0 | 112.8 | V437 | V437-K481 HydrophobicContact CB-CB 4.32Å; V437-K481 PolarHBondContact O-N 3.38Å |
| 482 | A | 97 | Very high | 97.7 | Very high | 22 Ų | 22 | 13.2 Ų | 13.2 | 18% | 0.182 | 8% | 0.076 | C | C | . | . | S | Bend | trans | -158.4 | 158.4 | 179.4 | 0 | 0 | 0 | 0 | 0 | 110.3 | V437 I480 | V437-A482 WeakPolarHBondContact CB-O 3.38Å; V437-A482 HydrophobicContact CG1-CB 4.14Å; V437-A482 WeakPolarHBondContact CG2-O 3.16Å; I480-A482 VanDerWaalsContact C-N 3.29Å; I480-A482 WeakPolarHBondContact CD1-O 3.27Å; I480-A482 PolarHBondContact O-N 2.96Å |
| 483 | A | 98 | Very high | 97.5 | Very high | 19 Ų | 19 | 15.9 Ų | 15.9 | 16% | 0.157 | 9% | 0.087 | C | C | . | . | trans | -70 | 147.7 | 167.3 | 0 | 0 | 0 | 0 | 0 | 110.9 | S470 M474 S521 L557 M560 | S470-A483 VanDerWaalsContact OG-CA 3.22Å; S470-A483 WeakPolarHBondContact OG-CA 3.36Å; S470-A483 WeakPolarHBondContact OG-CB 3.5Å; M474-A483 HydrophobicContact CE-CB 3.97Å; M474-A483 HydrophobicContact SD-CB 4.47Å; A483-S521 WeakPolarHBondContact O-CA 3.35Å; A483-S521 VanDerWaalsContact O-CB 3.22Å; A483-S521 WeakPolarHBondContact O-CB 3.4Å; A483-L557 HydrophobicContact CB-CD2 3.89Å; A483-M560 HydrophobicContact CB-CE 4.48Å | ||
| 484 | V | 98.5 | Very high | 97.2 | Very high | 0 Ų | 0 | 20.3 Ų | 20.3 | 0% | 0 | 11% | 0.108 | C | C | . | . | trans | -123.1 | 131.2 | 177.8 | -179.8 | 0 | 0 | 0 | 0 | 109.4 | G433 V437 V466 S470 A519 G520 | G433-V484 VanDerWaalsContact O-CG1 3.29Å; G433-V484 WeakPolarHBondContact O-CG1 3.4Å; V437-V484 HydrophobicContact CB-CG2 4.3Å; V437-V484 HydrophobicContact CG1-CG2 3.68Å; V437-V484 HydrophobicContact CG2-CG2 3.6Å; V466-V484 HydrophobicContact CG1-CB 4.22Å; V466-V484 HydrophobicContact CG1-CG1 3.5Å; S470-V484 WeakPolarHBondContact CB-O 3.29Å; S470-V484 PolarHBondContact OG-N 2.79Å; V484-A519 HydrophobicContact CG1-CB 4.35Å; V484-G520 WeakPolarHBondContact CA-O 3.16Å | ||
| 485 | A | 98.6 | Very high | 96.7 | Very high | 0 Ų | 0 | 22.6 Ų | 22.6 | 0% | 0 | 13% | 0.133 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.4 | 149 | 169.9 | 0 | 0 | 0 | 0 | 0 | 111 | A519 G520 R553 I556 L557 M560 | A485-A519 WeakPolarHBondContact O-CA 3.37Å; A485-G520 PolarHBondContact N-O 3.11Å; A485-G520 PolarHBondContact O-N 2.75Å; A485-R553 HydrophobicContact CB-CB 4.45Å; A485-I556 HydrophobicContact CB-CB 4.06Å; A485-I556 HydrophobicContact CB-CG2 3.75Å; A485-L557 HydrophobicContact CB-CD1 4.49Å; A485-L557 HydrophobicContact CB-CD2 3.81Å; A485-L557 HydrophobicContact CB-CG 3.67Å; A485-M560 HydrophobicContact CB-SD 4.1Å |
| 486 | G | 98.4 | Very high | 96.2 | Very high | 0 Ų | 0 | 29.7 Ų | 29.7 | 0% | 0 | 17% | 0.171 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116 | 145.5 | 172.7 | 0 | 0 | 0 | 0 | 0 | 112.1 | R368 C467 V518 | R368-G486 PolarHBondContact NH1-O 3.39Å; C467-G486 PolarHBondContact SG-N 3.42Å; G486-V518 CarbonylContact C-O 3.57Å; G486-V518 WeakPolarHBondContact CA-O 3.32Å |
| 487 | I | 98.3 | Very high | 96.1 | Very high | 0 Ų | 0 | 33.9 Ų | 33.9 | 0% | 0 | 19% | 0.193 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -140.4 | 147.6 | 172.3 | -167.3 | 59.7 | 0 | 0 | 0 | 110.8 | I347 M489 D503 K517 V518 A549 A552 R553 I556 | I347-I487 HydrophobicContact CD1-CD1 4.28Å; I487-M489 HydrophobicContact CG1-SD 3.93Å; I487-M489 HydrophobicContact CG2-SD 3.96Å; I487-D503 HydrophobicContact CD1-CB 3.71Å; I487-K517 CarbonylContact O-C 3.54Å; I487-K517 WeakPolarHBondContact O-CA 3.49Å; I487-V518 HydrophobicContact CG2-CB 4.2Å; I487-V518 PolarHBondContact N-O 3.28Å; I487-V518 PolarHBondContact O-N 3.4Å; I487-A549 HydrophobicContact CG2-CB 3.88Å; I487-A552 HydrophobicContact CB-CB 4.42Å; I487-A552 HydrophobicContact CG1-CB 3.9Å; I487-A552 HydrophobicContact CG2-CB 4.36Å; I487-R553 HydrophobicContact CB-CG 4.35Å; I487-R553 HydrophobicContact CG2-CG 3.79Å; I487-I556 HydrophobicContact CB-CD1 4.42Å; I487-I556 HydrophobicContact CD1-CD1 3.93Å |
| 488 | A | 97.8 | Very high | 96 | Very high | 0 Ų | 0 | 37.3 Ų | 37.3 | 0% | 0 | 20% | 0.204 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.6 | 132 | 169.2 | 0 | 0 | 0 | 0 | 0 | 109.7 | S460 M463 D503 I504 K517 | S460-A488 WeakPolarHBondContact OG-CB 3.36Å; S460-A488 PolarHBondContact OG-N 2.97Å; M463-A488 HydrophobicContact CG-CB 4.49Å; A488-D503 WeakPolarHBondContact O-CA 3.39Å; A488-D503 PolarHBondContact O-N 3.49Å; A488-I504 HydrophobicContact CB-CD1 4.05Å; A488-I504 HydrophobicContact CB-CG1 3.82Å; A488-I504 PolarHBondContact O-N 3.13Å; A488-K517 HydrophobicContact CB-CG 4.12Å |
| 489 | M | 97.8 | Very high | 96 | Very high | 0 Ų | 0 | 38.3 Ų | 38.3 | 0% | 0 | 21% | 0.21 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.7 | 141.9 | 178.5 | -48.5 | -56.3 | -62.1 | 0 | 0 | 109.8 | I487 V500 L501 F516 Q548 A549 | I487-M489 HydrophobicContact CG1-SD 3.93Å; I487-M489 HydrophobicContact CG2-SD 3.96Å; M489-V500 HydrophobicContact CE-CG1 4.1Å; M489-L501 CarbonylContact C-O 3.59Å; M489-L501 VanDerWaalsContact CA-O 3.26Å; M489-L501 WeakPolarHBondContact CA-O 3.45Å; M489-F516 HydrophobicContact CB-CB 4.21Å; M489-F516 WeakPolarHBondContact CB-O 3.45Å; M489-F516 PolarHBondContact N-O 2.93Å; M489-F516 PolarHBondContact O-N 2.93Å; M489-Q548 HydrophobicContact CE-CB 3.79Å; M489-Q548 HydrophobicContact CE-CG 3.66Å; M489-A549 HydrophobicContact CG-CB 3.78Å; M489-A549 HydrophobicContact SD-CB 3.78Å |
| 490 | G | 97 | Very high | 96.1 | Very high | 2 Ų | 2 | 35.7 Ų | 35.7 | 2% | 0.021 | 19% | 0.193 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.2 | 164.4 | 178.3 | 0 | 0 | 0 | 0 | 0 | 112.8 | V500 L501 M514 | G490-V500 WeakPolarHBondContact O-CA 3.46Å; G490-L501 PolarHBondContact N-O 3.37Å; G490-L501 PolarHBondContact O-N 2.97Å; G490-M514 WeakPolarHBondContact CA-O 3.43Å |
| 491 | L | 97.2 | Very high | 96 | Very high | 1 Ų | 1 | 35.3 Ų | 35.3 | 1% | 0.005 | 19% | 0.191 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -134.4 | 136.7 | 167.2 | -174.6 | 66.6 | 0 | 0 | 0 | 109.2 | K493 Y498 V499 V500 D513 M514 I537 I541 | L491-K493 HydrophobicContact CD2-CB 4.21Å; L491-K493 HydrophobicContact CD2-CD 4.5Å; L491-K493 HydrophobicContact CG-CB 4.16Å; L491-Y498 HydrophobicContact CD1-CD2 3.94Å; L491-Y498 HydrophobicContact CD1-CG 4.35Å; L491-V499 WeakPolarHBondContact CA-O 3.37Å; L491-V500 HydrophobicContact CD1-CG2 4.11Å; L491-D513 HydrophobicContact CB-CB 4.44Å; L491-D513 HydrophobicContact CD2-CB 4.48Å; L491-D513 PolarHBondContact O-N 3.46Å; L491-M514 HydrophobicContact CB-CB 3.47Å; L491-M514 VanDerWaalsContact CB-CB 3.47Å; L491-M514 HydrophobicContact CB-CE 3.89Å; L491-M514 HydrophobicContact CB-CG 4.47Å; L491-M514 HydrophobicContact CB-SD 4.32Å; L491-M514 HydrophobicContact CD2-CB 4.38Å; L491-I537 HydrophobicContact CD2-CG2 3.62Å; L491-I541 HydrophobicContact CD1-CG2 3.8Å; L491-I541 HydrophobicContact CD2-CD1 4.48Å; L491-I541 HydrophobicContact CD2-CG2 3.96Å |
| 492 | V | 96.5 | Very high | 96.1 | Very high | 4 Ų | 4 | 29 Ų | 29 | 2% | 0.024 | 16% | 0.164 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.2 | 125.9 | 157.5 | 174.9 | 0 | 0 | 0 | 0 | 106.9 | R329 V332 L333 Y498 V499 L501 D513 | R329-V492 HydrophobicContact CB-CG1 3.75Å; R329-V492 HydrophobicContact CG-CG1 3.81Å; V332-V492 HydrophobicContact CB-CG2 4.39Å; V332-V492 HydrophobicContact CG1-CB 3.96Å; V332-V492 HydrophobicContact CG1-CG1 4.46Å; V332-V492 HydrophobicContact CG1-CG2 3.95Å; L333-V492 HydrophobicContact CD1-CG1 4.01Å; L333-V492 HydrophobicContact CD2-CG1 4.21Å; L333-V492 HydrophobicContact CG-CG1 3.88Å; V492-Y498 CarbonylContact O-C 3.53Å; V492-Y498 WeakPolarHBondContact O-CA 3.42Å; V492-V499 PolarHBondContact N-O 3.5Å; V492-V499 PolarHBondContact O-N 3.16Å; V492-L501 HydrophobicContact CG2-CD1 4.32Å; V492-D513 WeakPolarHBondContact CA-OD2 3.38Å |
| 493 | K | 94.7 | Very high | 96.1 | Very high | 56 Ų | 56 | 28 Ų | 28 | 24% | 0.243 | 16% | 0.155 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -137.1 | 125.2 | -176 | 180 | 176 | -174.8 | -64.5 | 0 | 111.2 | R329 L491 G495 N497 D513 I534 I541 | R329-K493 PolarHBondContact NH2-O 2.97Å; L491-K493 HydrophobicContact CD2-CB 4.21Å; L491-K493 HydrophobicContact CD2-CD 4.5Å; L491-K493 HydrophobicContact CG-CB 4.16Å; K493-G495 WeakPolarHBondContact CE-O 3.43Å; K493-G495 PolarHBondContact NZ-O 3.21Å; K493-N497 WeakPolarHBondContact CA-O 3.35Å; K493-D513 PolarHBondContact N-OD2 3.33Å; K493-I534 HydrophobicContact CD-CD1 4.06Å; K493-I541 HydrophobicContact CD-CD1 4.03Å |
| 494 | E | 92.9 | Very high | 96 | Very high | 92 Ų | 92 | 27.1 Ų | 27.1 | 43% | 0.43 | 15% | 0.148 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.5 | 113.5 | 171.7 | -69.2 | -63.3 | 161.6 | 0 | 0 | 109.2 | R329 L333 D496 N497 | R329-E494 IonicContact CZ-OE1 3.36Å; R329-E494 IonicContact NE-OE1 3.93Å; R329-E494 PolarHBondContact NE-OE1 3.45Å; R329-E494 IonicContact NH2-OE1 2.64Å; R329-E494 PolarHBondContact NH2-OE1 2.89Å; L333-E494 HydrophobicContact CD1-CB 3.71Å; L333-E494 HydrophobicContact CD1-CG 3.37Å; E494-D496 PolarHBondContact O-N 3.01Å; E494-N497 PolarHBondContact N-O 2.6Å; E494-N497 PolarHBondContact O-N 2.84Å |
| 495 | G | 88.4 | Confident | 95.8 | Very high | 53 Ų | 53 | 27.2 Ų | 27.2 | 55% | 0.546 | 15% | 0.149 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 56.4 | -125.5 | -170.4 | 0 | 0 | 0 | 0 | 0 | 111.2 | K493 | K493-G495 WeakPolarHBondContact CE-O 3.43Å; K493-G495 PolarHBondContact NZ-O 3.21Å |
| 496 | D | 87.8 | Confident | 95.5 | Very high | 160 Ų | 160 | 28.2 Ų | 28.2 | 86% | 0.856 | 16% | 0.158 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -88.5 | -10.6 | 177.2 | -63.1 | -34.1 | 0 | 0 | 0 | 113.4 | E494 | E494-D496 PolarHBondContact O-N 3.01Š|
| 497 | N | 93.7 | Very high | 95.2 | Very high | 88 Ų | 88 | 28.5 Ų | 28.5 | 47% | 0.471 | 16% | 0.16 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -83.1 | 131.5 | 177.9 | -168 | 19.3 | 0 | 0 | 0 | 109.9 | L333 K493 E494 | L333-N497 HydrophobicContact CD2-CB 4.38Å; K493-N497 WeakPolarHBondContact CA-O 3.35Å; E494-N497 PolarHBondContact N-O 2.6Å; E494-N497 PolarHBondContact O-N 2.84Å |
| 498 | Y | 96.1 | Very high | 95 | Very high | 82 Ų | 82 | 28.8 Ų | 28.8 | 32% | 0.322 | 16% | 0.161 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -149.7 | 153.7 | 178.8 | 71.1 | -88.5 | 0 | 0 | 0 | 112.8 | L491 V492 V500 I541 | L491-Y498 HydrophobicContact CD1-CD2 3.94Å; L491-Y498 HydrophobicContact CD1-CG 4.35Å; V492-Y498 CarbonylContact O-C 3.53Å; V492-Y498 WeakPolarHBondContact O-CA 3.42Å; Y498-V500 HydrophobicContact CD2-CG2 4.29Å; Y498-V500 HydrophobicContact CE2-CG2 4.32Å; Y498-I541 HydrophobicContact CD1-CD1 4.42Å; Y498-I541 HydrophobicContact CD1-CG1 4.35Å; Y498-I541 HydrophobicContact CD2-CG1 4.21Å; Y498-I541 HydrophobicContact CE1-CG1 4.18Å; Y498-I541 HydrophobicContact CE2-CG1 4.04Å; Y498-I541 HydrophobicContact CG-CD1 4.4Å; Y498-I541 HydrophobicContact CG-CG1 4.37Å |
| 499 | V | 97.2 | Very high | 94.8 | Very high | 21 Ų | 21 | 30.4 Ų | 30.4 | 13% | 0.127 | 17% | 0.17 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -132.8 | 127.9 | 174 | 177.4 | 0 | 0 | 0 | 0 | 109.4 | V332 L333 K344 L491 V492 L501 | V332-V499 HydrophobicContact CG1-CB 3.82Å; V332-V499 HydrophobicContact CG1-CG1 3.89Å; V332-V499 HydrophobicContact CG1-CG2 4.33Å; L333-V499 HydrophobicContact CD2-CG2 4.25Å; K344-V499 HydrophobicContact CB-CG1 3.92Å; K344-V499 HydrophobicContact CD-CG1 4.02Å; L491-V499 WeakPolarHBondContact CA-O 3.37Å; V492-V499 PolarHBondContact N-O 3.5Å; V492-V499 PolarHBondContact O-N 3.16Å; V499-L501 HydrophobicContact CG1-CD2 3.8Å |
| 500 | V | 97.6 | Very high | 94.5 | Very high | 5 Ų | 5 | 35.8 Ų | 35.8 | 3% | 0.03 | 20% | 0.195 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -90.9 | 130.2 | 171.8 | 176.3 | 0 | 0 | 0 | 0 | 109.5 | M489 G490 L491 Y498 V544 A545 Q548 | M489-V500 HydrophobicContact CE-CG1 4.1Å; G490-V500 WeakPolarHBondContact O-CA 3.46Å; L491-V500 HydrophobicContact CD1-CG2 4.11Å; Y498-V500 HydrophobicContact CD2-CG2 4.29Å; Y498-V500 HydrophobicContact CE2-CG2 4.32Å; V500-V544 HydrophobicContact CB-CG1 4.3Å; V500-V544 HydrophobicContact CG2-CB 4.47Å; V500-V544 HydrophobicContact CG2-CG1 3.92Å; V500-A545 HydrophobicContact CG1-CB 4.04Å; V500-Q548 PolarHBondContact O-NE2 2.86Å |
| 501 | L | 97.3 | Very high | 94.3 | Very high | 2 Ų | 2 | 35.9 Ų | 35.9 | 1% | 0.01 | 20% | 0.195 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.6 | 124.2 | -175.8 | -59.2 | 178.1 | 0 | 0 | 0 | 110.9 | V332 R338 K344 M489 G490 V492 V499 I504 E508 | V332-L501 HydrophobicContact CG1-CD1 4.36Å; V332-L501 HydrophobicContact CG1-CD2 3.99Å; R338-L501 HydrophobicContact CG-CD2 4.46Å; K344-L501 HydrophobicContact CB-CD2 4.07Å; K344-L501 CarbonylContact O-C 3.5Å; K344-L501 WeakPolarHBondContact O-CA 3.49Å; M489-L501 CarbonylContact C-O 3.59Å; M489-L501 VanDerWaalsContact CA-O 3.26Å; M489-L501 WeakPolarHBondContact CA-O 3.45Å; G490-L501 PolarHBondContact N-O 3.37Å; G490-L501 PolarHBondContact O-N 2.97Å; V492-L501 HydrophobicContact CG2-CD1 4.32Å; V499-L501 HydrophobicContact CG1-CD2 3.8Å; L501-I504 HydrophobicContact CB-CG2 4.03Å; L501-E508 HydrophobicContact CD1-CB 4.32Å; L501-E508 HydrophobicContact CD1-CG 4.4Å |
| 502 | S | 97.4 | Very high | 94.2 | Very high | 2 Ų | 2 | 36.1 Ų | 36.1 | 1% | 0.014 | 20% | 0.197 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -78 | 142.1 | 169.2 | -65.8 | 0 | 0 | 0 | 0 | 110.8 | R338 R342 K344 D345 Q548 | R338-S502 PolarHBondContact NH1-O 3.28Å; R338-S502 PolarHBondContact NH2-O 2.97Å; R342-S502 PolarHBondContact NH1-O 2.86Å; R342-S502 VanDerWaalsContact NH1-O 3.09Å; K344-S502 PolarHBondContact O-N 2.96Å; D345-S502 WeakPolarHBondContact CA-OG 3.29Å; D345-S502 WeakPolarHBondContact O-CB 3.19Å; D345-S502 PolarHBondContact O-OG 2.82Å; S502-Q548 VanDerWaalsContact N-NE2 3.19Å; S502-Q548 VanDerWaalsContact OG-CG 3.3Å; S502-Q548 WeakPolarHBondContact OG-CG 3.42Å; S502-Q548 PolarHBondContact OG-NE2 2.84Å |
| 503 | D | 97.1 | Very high | 94.1 | Very high | 0 Ų | 0 | 36.1 Ų | 36.1 | 0% | 0 | 20% | 0.197 | C | C | . | . | S | Bend | trans | 52.5 | 66.4 | 173 | -168.5 | 25.2 | 0 | 0 | 0 | 112 | R338 R342 I347 R348 R368 I487 A488 | R338-D503 PolarHBondContact NH2-O 3.4Å; R342-D503 PolarHBondContact NH1-O 3.36Å; R342-D503 VanDerWaalsContact NH1-O 3.11Å; R342-D503 IonicContact NH1-OD2 3.73Å; R342-D503 PolarHBondContact NH2-O 2.78Å; I347-D503 HydrophobicContact CD1-CB 3.97Å; I347-D503 HydrophobicContact CG2-CB 4.31Å; R348-D503 VanDerWaalsContact CB-OD2 3.31Å; R348-D503 WeakPolarHBondContact CB-OD2 3.43Å; R348-D503 VanDerWaalsContact CG-OD2 3.3Å; R348-D503 WeakPolarHBondContact CG-OD2 3.4Å; R348-D503 IonicContact CZ-OD1 2.72Å; R348-D503 IonicContact CZ-OD2 2.75Å; R348-D503 PolarHBondContact N-OD2 2.72Å; R348-D503 VanDerWaalsContact NE-CG 3.33Å; R348-D503 IonicContact NE-OD1 3.29Å; R348-D503 PolarHBondContact NE-OD1 2.91Å; R348-D503 IonicContact NE-OD2 3.22Å; R348-D503 PolarHBondContact NE-OD2 2.83Å; R348-D503 IonicContact NH2-OD1 3.37Å; R348-D503 PolarHBondContact NH2-OD1 3.42Å; R348-D503 IonicContact NH2-OD2 3.49Å; R368-D503 WeakPolarHBondContact CD-OD2 3.29Å; R368-D503 IonicContact CZ-OD1 2.67Å; R368-D503 IonicContact NE-OD1 3.89Å; R368-D503 PolarHBondContact NE-OD1 3.04Å; R368-D503 IonicContact NE-OD2 2.79Å; R368-D503 IonicContact NH2-OD1 2.8Å; I487-D503 HydrophobicContact CD1-CB 3.71Å; A488-D503 WeakPolarHBondContact O-CA 3.39Å; A488-D503 PolarHBondContact O-N 3.49Å |
| 504 | I | 95.2 | Very high | 94.1 | Very high | 2 Ų | 2 | 33.6 Ų | 33.6 | 1% | 0.01 | 19% | 0.186 | C | C | . | . | trans | -62.4 | 139.8 | -177.5 | 57.7 | -179 | 0 | 0 | 0 | 113 | A488 L501 E508 D509 D515 | A488-I504 HydrophobicContact CB-CD1 4.05Å; A488-I504 HydrophobicContact CB-CG1 3.82Å; A488-I504 PolarHBondContact O-N 3.13Å; L501-I504 HydrophobicContact CB-CG2 4.03Å; I504-E508 HydrophobicContact CB-CB 4.46Å; I504-D509 HydrophobicContact CD1-CB 3.97Å; I504-D515 HydrophobicContact CD1-CB 4.21Å | ||
| 505 | L | 94.3 | Very high | 94.2 | Very high | 2 Ų | 2 | 30 Ų | 30 | 1% | 0.01 | 17% | 0.17 | C | C | . | . | trans | -75.3 | 165.2 | 167.4 | -60.1 | 175.9 | 0 | 0 | 0 | 110.7 | I339 D340 D507 E508 D509 | I339-L505 HydrophobicContact CB-CD1 3.97Å; I339-L505 HydrophobicContact CG2-CD1 4.44Å; D340-L505 HydrophobicContact CB-CD1 4.08Å; L505-D507 VanDerWaalsContact C-N 3.3Å; L505-D507 PolarHBondContact O-N 3.43Å; L505-E508 HydrophobicContact CB-CB 4.4Å; L505-E508 HydrophobicContact CB-CG 4.11Å; L505-E508 WeakPolarHBondContact CB-OE2 3.47Å; L505-E508 WeakPolarHBondContact CG-OE2 3.33Å; L505-E508 PolarHBondContact N-OE2 3.28Å; L505-E508 PolarHBondContact O-N 3.01Å; L505-D509 PolarHBondContact O-N 3.3Å | ||
| 506 | G | 92.6 | Very high | 94.7 | Very high | 20 Ų | 20 | 27.5 Ų | 27.5 | 21% | 0.206 | 14% | 0.144 | C | C | . | . | H | α-helix | trans | -59.7 | -40.8 | 173 | 0 | 0 | 0 | 0 | 0 | 112.6 | N458 H510 | N458-G506 PolarHBondContact O-N 2.72Å; N458-G506 WeakPolarHBondContact OD1-CA 3.36Å; N458-G506 PolarHBondContact OD1-N 3.08Å; G506-H510 VanDerWaalsContact O-CB 3.31Å; G506-H510 WeakPolarHBondContact O-CB 3.41Å; G506-H510 PolarHBondContact O-N 3.21Å |
| 507 | D | 92.4 | Very high | 95.1 | Very high | 6 Ų | 6 | 20.4 Ų | 20.4 | 3% | 0.032 | 11% | 0.106 | C | C | . | . | H | α-helix | trans | -63.2 | -41.6 | 176.7 | -64.7 | -44.5 | 0 | 0 | 0 | 112.1 | R289 Y290 I339 L505 H510 L511 | R289-D507 IonicContact CZ-OD2 3.33Å; R289-D507 IonicContact NE-OD2 3.85Å; R289-D507 PolarHBondContact NE-OD2 3.46Å; R289-D507 IonicContact NH2-OD2 3.77Å; R289-D507 PolarHBondContact NH2-OD2 2.9Å; Y290-D507 WeakPolarHBondContact CE1-OD1 3.45Å; Y290-D507 VanDerWaalsContact CZ-OD1 3.25Å; Y290-D507 PolarHBondContact OH-OD1 3.32Å; I339-D507 HydrophobicContact CD1-CB 3.62Å; L505-D507 VanDerWaalsContact C-N 3.3Å; L505-D507 PolarHBondContact O-N 3.43Å; D507-H510 PolarHBondContact O-N 3.41Å; D507-L511 WeakPolarHBondContact O-CB 3.29Å; D507-L511 VanDerWaalsContact O-CG 3.3Å; D507-L511 WeakPolarHBondContact O-CG 3.41Å; D507-L511 PolarHBondContact O-N 3.3Å |
| 508 | E | 94.3 | Very high | 95.4 | Very high | 6 Ų | 6 | 16.2 Ų | 16.2 | 3% | 0.028 | 8% | 0.083 | C | C | . | . | H | α-helix | trans | -76.3 | -32 | -177.9 | -62.8 | 167.5 | 145.6 | 0 | 0 | 112.4 | R338 I339 L501 I504 L505 G512 | R338-E508 IonicContact CZ-OE1 3.68Å; R338-E508 IonicContact CZ-OE2 3.88Å; R338-E508 IonicContact NE-OE1 2.96Å; R338-E508 PolarHBondContact NE-OE1 2.95Å; R338-E508 IonicContact NE-OE2 3.38Å; R338-E508 VanDerWaalsContact NH2-CD 3.29Å; R338-E508 IonicContact NH2-OE1 3.98Å; R338-E508 PolarHBondContact NH2-OE1 3.19Å; R338-E508 IonicContact NH2-OE2 3.77Å; R338-E508 PolarHBondContact NH2-OE2 3.06Å; I339-E508 HydrophobicContact CD1-CG 4.08Å; L501-E508 HydrophobicContact CD1-CB 4.32Å; L501-E508 HydrophobicContact CD1-CG 4.4Å; I504-E508 HydrophobicContact CB-CB 4.46Å; L505-E508 HydrophobicContact CB-CB 4.4Å; L505-E508 HydrophobicContact CB-CG 4.11Å; L505-E508 WeakPolarHBondContact CB-OE2 3.47Å; L505-E508 WeakPolarHBondContact CG-OE2 3.33Å; L505-E508 PolarHBondContact N-OE2 3.28Å; L505-E508 PolarHBondContact O-N 3.01Å; E508-G512 WeakPolarHBondContact O-CA 3.35Å; E508-G512 PolarHBondContact O-N 2.83Å |
| 509 | D | 94.1 | Very high | 95.5 | Very high | 34 Ų | 34 | 12.4 Ų | 12.4 | 18% | 0.182 | 7% | 0.069 | C | C | . | . | H | α-helix | trans | -59.5 | -57 | 164 | 174.6 | 7.5 | 0 | 0 | 0 | 108.2 | I504 L505 L511 G512 K533 | I504-D509 HydrophobicContact CD1-CB 3.97Å; L505-D509 PolarHBondContact O-N 3.3Å; D509-L511 PolarHBondContact O-N 2.93Å; D509-G512 PolarHBondContact O-N 3.05Å; D509-K533 PolarHBondContact O-NZ 3.25Å; D509-K533 IonicContact OD1-NZ 3.85Å |
| 510 | H | 91.4 | Very high | 95.6 | Very high | 114 Ų | 114 | 11.4 Ų | 11.4 | 53% | 0.528 | 6% | 0.062 | S | C | . | . | H | α-helix | trans | -56 | -45.8 | -174.3 | -173.7 | 53.1 | 0 | 0 | 0 | 113.5 | H321 G506 D507 K533 | H321-H510 AromaticContact CE1-CD2 3.82Å; H321-H510 AromaticContact CE1-NE2 3.23Å; H321-H510 PolarHBondContact CE1-NE2 3.45Å; H321-H510 AromaticContact NE2-NE2 3.99Å; G506-H510 VanDerWaalsContact O-CB 3.31Å; G506-H510 WeakPolarHBondContact O-CB 3.41Å; G506-H510 PolarHBondContact O-N 3.21Å; D507-H510 PolarHBondContact O-N 3.41Å; H510-K533 PolarHBondContact O-NZ 2.82Å |
| 511 | L | 92.9 | Very high | 95.6 | Very high | 4 Ų | 4 | 11.4 Ų | 11.4 | 2% | 0.021 | 6% | 0.063 | C | C | . | . | H | α-helix | trans | -95.9 | -10.7 | -175.1 | -56.4 | 173.6 | 0 | 0 | 0 | 114.2 | Y281 K325 V328 R329 D507 D509 | Y281-L511 HydrophobicContact CE1-CD1 4.47Å; K325-L511 HydrophobicContact CB-CD2 4.04Å; V328-L511 HydrophobicContact CB-CD1 3.98Å; V328-L511 HydrophobicContact CG1-CD1 4.28Å; V328-L511 HydrophobicContact CG2-CD1 3.7Å; R329-L511 PolarHBondContact NH1-O 2.88Å; D507-L511 WeakPolarHBondContact O-CB 3.29Å; D507-L511 VanDerWaalsContact O-CG 3.3Å; D507-L511 WeakPolarHBondContact O-CG 3.41Å; D507-L511 PolarHBondContact O-N 3.3Å; D509-L511 PolarHBondContact O-N 2.93Å |
| 512 | G | 94.5 | Very high | 95.6 | Very high | 5 Ų | 5 | 17.1 Ų | 17.1 | 5% | 0.052 | 8% | 0.084 | C | C | . | . | S | Bend | trans | -87.2 | -178.2 | 177.7 | 0 | 0 | 0 | 0 | 0 | 113.5 | E508 D509 K533 | E508-G512 WeakPolarHBondContact O-CA 3.35Å; E508-G512 PolarHBondContact O-N 2.83Å; D509-G512 PolarHBondContact O-N 3.05Å; G512-K533 WeakPolarHBondContact O-CD 3.37Å |
| 513 | D | 95 | Very high | 95.6 | Very high | 5 Ų | 5 | 22.6 Ų | 22.6 | 3% | 0.027 | 11% | 0.113 | C | C | . | . | S | Bend | trans | -105.5 | -14.7 | -170.6 | -58.4 | -46.2 | 0 | 0 | 0 | 113.7 | R329 L491 V492 K493 I532 K533 I534 | R329-D513 IonicContact CZ-OD1 2.57Å; R329-D513 IonicContact CZ-OD2 2.79Å; R329-D513 IonicContact NH1-OD1 3.86Å; R329-D513 PolarHBondContact NH1-OD1 3.46Å; R329-D513 IonicContact NH1-OD2 3.99Å; R329-D513 PolarHBondContact NH1-OD2 2.65Å; R329-D513 IonicContact NH2-OD1 3.01Å; R329-D513 PolarHBondContact NH2-OD1 2.83Å; R329-D513 IonicContact NH2-OD2 3.79Å; R329-D513 PolarHBondContact NH2-OD2 3.45Å; L491-D513 HydrophobicContact CB-CB 4.44Å; L491-D513 HydrophobicContact CD2-CB 4.48Å; L491-D513 PolarHBondContact O-N 3.46Å; V492-D513 WeakPolarHBondContact CA-OD2 3.38Å; K493-D513 PolarHBondContact N-OD2 3.33Å; D513-I532 CarbonylContact O-C 3.23Å; D513-I532 VanDerWaalsContact O-CA 3.3Å; D513-I532 WeakPolarHBondContact O-CA 3.31Å; D513-I532 WeakPolarHBondContact O-CG2 3.33Å; D513-K533 PolarHBondContact O-N 3.22Å; D513-I534 HydrophobicContact CB-CD1 4.15Å; D513-I534 HydrophobicContact CB-CG1 4.24Å; D513-I534 HydrophobicContact CB-CG2 3.99Å |
| 514 | M | 95.1 | Very high | 95.6 | Very high | 2 Ų | 2 | 22.8 Ų | 22.8 | 1% | 0.01 | 12% | 0.115 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -149.2 | 139.1 | -173.7 | -175.3 | -179.5 | 74.9 | 0 | 0 | 111.6 | G490 L491 F516 M530 D531 I532 I537 A545 | G490-M514 WeakPolarHBondContact CA-O 3.43Å; L491-M514 HydrophobicContact CB-CB 3.47Å; L491-M514 VanDerWaalsContact CB-CB 3.47Å; L491-M514 HydrophobicContact CB-CE 3.89Å; L491-M514 HydrophobicContact CB-CG 4.47Å; L491-M514 HydrophobicContact CB-SD 4.32Å; L491-M514 HydrophobicContact CD2-CB 4.38Å; M514-F516 HydrophobicContact CE-CB 3.78Å; M514-F516 HydrophobicContact CE-CD1 4.26Å; M514-F516 HydrophobicContact CG-CB 4Å; M514-F516 HydrophobicContact SD-CB 3.96Å; M514-F516 HydrophobicContact SD-CD1 4.47Å; M514-M530 HydrophobicContact CG-CG 4.12Å; M514-M530 HydrophobicContact CG-SD 4.48Å; M514-M530 HydrophobicContact SD-CG 4.34Å; M514-M530 HydrophobicContact SD-SD 3.96Å; M514-D531 WeakPolarHBondContact CA-O 3.5Å; M514-I532 HydrophobicContact CB-CG1 4.44Å; M514-I532 HydrophobicContact CG-CG1 4.07Å; M514-I537 HydrophobicContact SD-CD1 3.56Å; M514-I537 VanDerWaalsContact SD-CD1 3.56Å; M514-A545 HydrophobicContact CE-CB 4.15Å |
| 515 | D | 95 | Very high | 95.8 | Very high | 17 Ų | 17 | 22.7 Ų | 22.7 | 9% | 0.091 | 11% | 0.114 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.8 | 98.2 | 164.4 | 171.9 | 23.2 | 0 | 0 | 0 | 108.2 | I504 K517 M530 D531 | I504-D515 HydrophobicContact CD1-CB 4.21Å; D515-K517 WeakPolarHBondContact OD1-CG 3.46Å; D515-K517 IonicContact OD1-NZ 3.87Å; D515-K517 WeakPolarHBondContact OD2-CE 3.44Å; D515-K517 IonicContact OD2-NZ 2.9Å; D515-K517 PolarHBondContact OD2-NZ 2.87Å; D515-M530 WeakPolarHBondContact O-CA 3.41Å; D515-D531 PolarHBondContact N-O 3.18Å; D515-D531 PolarHBondContact O-N 3.49Å |
| 516 | F | 97.1 | Very high | 96 | Very high | 0 Ų | 0 | 22.6 Ų | 22.6 | 0% | 0 | 11% | 0.114 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.6 | 98.7 | -177.5 | -174.2 | -164.7 | 0 | 0 | 0 | 111.2 | M489 M514 V518 L528 Q529 M530 M542 A545 L546 | M489-F516 HydrophobicContact CB-CB 4.21Å; M489-F516 WeakPolarHBondContact CB-O 3.45Å; M489-F516 PolarHBondContact N-O 2.93Å; M489-F516 PolarHBondContact O-N 2.93Å; M514-F516 HydrophobicContact CE-CB 3.78Å; M514-F516 HydrophobicContact CE-CD1 4.26Å; M514-F516 HydrophobicContact CG-CB 4Å; M514-F516 HydrophobicContact SD-CB 3.96Å; M514-F516 HydrophobicContact SD-CD1 4.47Å; F516-V518 HydrophobicContact CD2-CG2 4.1Å; F516-V518 HydrophobicContact CE1-CG2 4.49Å; F516-V518 HydrophobicContact CE2-CG2 4.04Å; F516-V518 HydrophobicContact CG-CG2 4.38Å; F516-V518 HydrophobicContact CZ-CG2 4.24Å; F516-L528 HydrophobicContact CE2-CB 4.12Å; F516-L528 HydrophobicContact CE2-CD1 4.25Å; F516-L528 HydrophobicContact CE2-CD2 3.9Å; F516-L528 HydrophobicContact CE2-CG 4.32Å; F516-L528 HydrophobicContact CZ-CD1 4.23Å; F516-L528 HydrophobicContact CZ-CD2 4.18Å; F516-Q529 CarbonylContact C-O 3.59Å; F516-M530 HydrophobicContact CB-CB 4.48Å; F516-M530 HydrophobicContact CB-CG 4Å; F516-M530 HydrophobicContact CB-SD 4.44Å; F516-M530 HydrophobicContact CD1-SD 4.22Å; F516-M530 HydrophobicContact CD2-CB 3.65Å; F516-M530 HydrophobicContact CD2-CG 3.97Å; F516-M530 HydrophobicContact CD2-SD 4.21Å; F516-M530 HydrophobicContact CE1-SD 4.5Å; F516-M530 HydrophobicContact CE2-CB 4.11Å; F516-M530 HydrophobicContact CE2-SD 4.47Å; F516-M530 HydrophobicContact CG-CB 4.23Å; F516-M530 HydrophobicContact CG-CG 4.02Å; F516-M530 HydrophobicContact CG-SD 4.07Å; F516-M542 HydrophobicContact CZ-CE 4.28Å; F516-A545 HydrophobicContact CD1-CB 3.73Å; F516-A545 HydrophobicContact CE1-CB 4.05Å; F516-L546 HydrophobicContact CE1-CD2 3.96Å; F516-L546 HydrophobicContact CE1-CG 3.93Å; F516-L546 HydrophobicContact CZ-CD2 3.63Å; F516-L546 HydrophobicContact CZ-CG 3.99Å |
| 517 | K | 98.1 | Very high | 96.3 | Very high | 12 Ų | 12 | 21.7 Ų | 21.7 | 5% | 0.052 | 11% | 0.105 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -86.9 | 128.7 | -179.8 | -61.9 | 173.4 | -176.9 | 118.2 | 0 | 110.7 | L429 M463 I487 A488 D515 L528 Q529 | L429-K517 HydrophobicContact CD2-CB 4.03Å; L429-K517 HydrophobicContact CD2-CD 3.35Å; L429-K517 HydrophobicContact CD2-CG 4.33Å; M463-K517 HydrophobicContact CE-CB 3.94Å; M463-K517 HydrophobicContact CE-CD 4.13Å; M463-K517 HydrophobicContact CE-CG 4.36Å; M463-K517 HydrophobicContact CG-CB 4.31Å; M463-K517 HydrophobicContact CG-CG 4.26Å; M463-K517 HydrophobicContact SD-CB 3.83Å; M463-K517 HydrophobicContact SD-CG 4.39Å; I487-K517 CarbonylContact O-C 3.54Å; I487-K517 WeakPolarHBondContact O-CA 3.49Å; A488-K517 HydrophobicContact CB-CG 4.12Å; D515-K517 WeakPolarHBondContact OD1-CG 3.46Å; D515-K517 IonicContact OD1-NZ 3.87Å; D515-K517 WeakPolarHBondContact OD2-CE 3.44Å; D515-K517 IonicContact OD2-NZ 2.9Å; D515-K517 PolarHBondContact OD2-NZ 2.87Å; K517-L528 WeakPolarHBondContact O-CA 3.42Å; K517-Q529 HydrophobicContact CB-CB 4.28Å; K517-Q529 WeakPolarHBondContact CB-O 3.31Å; K517-Q529 PolarHBondContact N-O 2.68Å; K517-Q529 PolarHBondContact O-N 2.89Å |
| 518 | V | 98.6 | Very high | 96.5 | Very high | 0 Ų | 0 | 21.4 Ų | 21.4 | 0% | 0 | 10% | 0.103 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.7 | 119.3 | -176.4 | -174 | 0 | 0 | 0 | 0 | 108.7 | G486 I487 F516 I525 L528 L546 A549 | G486-V518 CarbonylContact C-O 3.57Å; G486-V518 WeakPolarHBondContact CA-O 3.32Å; I487-V518 HydrophobicContact CG2-CB 4.2Å; I487-V518 PolarHBondContact N-O 3.28Å; I487-V518 PolarHBondContact O-N 3.4Å; F516-V518 HydrophobicContact CD2-CG2 4.1Å; F516-V518 HydrophobicContact CE1-CG2 4.49Å; F516-V518 HydrophobicContact CE2-CG2 4.04Å; F516-V518 HydrophobicContact CG-CG2 4.38Å; F516-V518 HydrophobicContact CZ-CG2 4.24Å; V518-I525 HydrophobicContact CG1-CG1 4.22Å; V518-L528 HydrophobicContact CB-CD2 4.02Å; V518-L528 HydrophobicContact CG1-CD2 3.66Å; V518-L528 HydrophobicContact CG2-CD2 3.82Å; V518-L546 HydrophobicContact CG2-CD2 4.43Å; V518-A549 HydrophobicContact CB-CB 3.9Å; V518-A549 HydrophobicContact CG1-CB 4.04Å; V518-A549 HydrophobicContact CG2-CB 3.74Å |
| 519 | A | 98.7 | Very high | 96.7 | Very high | 1 Ų | 1 | 21.3 Ų | 21.3 | 1% | 0.008 | 10% | 0.103 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.5 | 143.7 | 174.3 | 0 | 0 | 0 | 0 | 0 | 110.7 | V466 V484 A485 I525 S526 A527 R553 | V466-A519 HydrophobicContact CG1-CB 4.2Å; V484-A519 HydrophobicContact CG1-CB 4.35Å; A485-A519 WeakPolarHBondContact O-CA 3.37Å; A519-I525 WeakPolarHBondContact O-CA 3.18Å; A519-S526 PolarHBondContact O-N 2.89Å; A519-S526 PolarHBondContact O-OG 2.95Å; A519-A527 HydrophobicContact CB-CB 4.33Å; A519-A527 PolarHBondContact N-O 3.12Å; A519-A527 PolarHBondContact O-N 3.45Å; A519-R553 PolarHBondContact O-NH1 3.12Å |
| 520 | G | 98.6 | Very high | 96.7 | Very high | 0 Ų | 0 | 19.7 Ų | 19.7 | 0% | 0 | 9% | 0.094 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 178.4 | 170.9 | 175.5 | 0 | 0 | 0 | 0 | 0 | 114.4 | V484 A485 G524 | V484-G520 WeakPolarHBondContact CA-O 3.16Å; A485-G520 PolarHBondContact N-O 3.11Å; A485-G520 PolarHBondContact O-N 2.75Å; G520-G524 CarbonylContact C-O 3.57Å; G520-G524 WeakPolarHBondContact CA-O 3.46Å |
| 521 | S | 98.2 | Very high | 96.6 | Very high | 5 Ų | 5 | 16 Ų | 16 | 4% | 0.035 | 8% | 0.078 | C | C | . | . | trans | -93.3 | -170.5 | 171.3 | 79.4 | 0 | 0 | 0 | 0 | 110.5 | L218 A483 D523 G524 | L218-S521 WeakPolarHBondContact CD2-OG 3.1Å; A483-S521 WeakPolarHBondContact O-CA 3.35Å; A483-S521 VanDerWaalsContact O-CB 3.22Å; A483-S521 WeakPolarHBondContact O-CB 3.4Å; S521-D523 PolarHBondContact O-N 2.78Å; S521-D523 PolarHBondContact OG-N 3.35Å; S521-D523 PolarHBondContact OG-OD2 2.58Å; S521-G524 PolarHBondContact N-O 3.17Å | ||
| 522 | R | 97.6 | Very high | 96.5 | Very high | 122 Ų | 122 | 16 Ų | 16 | 46% | 0.46 | 8% | 0.078 | S | C | . | . | S | Bend | trans | -64.8 | -24 | 169.7 | -64.3 | -174.9 | 172.6 | -80.3 | 1.9 | 112.9 | L554 L557 E561 | R522-L554 HydrophobicContact CB-CD2 4.35Å; R522-L554 HydrophobicContact CG-CD2 4Å; R522-L557 HydrophobicContact CG-CD1 3.94Å; R522-E561 IonicContact CZ-OE1 3.41Å; R522-E561 IonicContact CZ-OE2 2.73Å; R522-E561 IonicContact NE-OE1 2.65Å; R522-E561 PolarHBondContact NE-OE1 2.84Å; R522-E561 IonicContact NE-OE2 3.98Å; R522-E561 VanDerWaalsContact NH2-CD 3.26Å; R522-E561 IonicContact NH2-OE1 2.65Å; R522-E561 PolarHBondContact NH2-OE1 2.91Å; R522-E561 IonicContact NH2-OE2 2.9Å; R522-E561 PolarHBondContact NH2-OE2 2.98Å |
| 523 | D | 96.5 | Very high | 96.3 | Very high | 118 Ų | 118 | 20.5 Ų | 20.5 | 63% | 0.631 | 10% | 0.097 | S | C | * | . | S | Bend | trans | -86.3 | -24.7 | -174.5 | -50.3 | -51.8 | 0 | 0 | 0 | 112.4 | L218 S521 | L218-D523 HydrophobicContact CB-CB 4.46Å; L218-D523 HydrophobicContact CD1-CB 4.34Å; S521-D523 PolarHBondContact O-N 2.78Å; S521-D523 PolarHBondContact OG-N 3.35Å; S521-D523 PolarHBondContact OG-OD2 2.58Å |
| 524 | G | 98.1 | Very high | 96 | Very high | 3 Ų | 3 | 22.4 Ų | 22.4 | 3% | 0.031 | 11% | 0.106 | C | C | . | . | trans | 165.3 | -174.1 | 179.1 | 0 | 0 | 0 | 0 | 0 | 114.5 | L219 G520 S521 | L219-G524 CarbonylContact O-C 3.55Å; L219-G524 WeakPolarHBondContact O-CA 3.16Å; G520-G524 CarbonylContact C-O 3.57Å; G520-G524 WeakPolarHBondContact CA-O 3.46Å; S521-G524 PolarHBondContact N-O 3.17Å | ||
| 525 | I | 98.7 | Very high | 95.4 | Very high | 0 Ų | 0 | 28 Ų | 28 | 0% | 0 | 13% | 0.132 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -81.1 | 133.2 | 178.8 | -66.9 | 159.5 | 0 | 0 | 0 | 110.3 | A216 L218 L219 E221 M224 V518 A519 L528 L546 | A216-I525 WeakPolarHBondContact CB-O 3.45Å; L218-I525 CarbonylContact C-O 3.54Å; L218-I525 WeakPolarHBondContact CA-O 3.35Å; L218-I525 PolarHBondContact N-O 3.43Å; L219-I525 PolarHBondContact N-O 3.36Å; L219-I525 PolarHBondContact O-N 2.8Å; E221-I525 HydrophobicContact CB-CD1 4.43Å; E221-I525 HydrophobicContact CG-CD1 4.01Å; M224-I525 HydrophobicContact CB-CD1 3.97Å; M224-I525 HydrophobicContact CE-CG2 4.06Å; M224-I525 HydrophobicContact CG-CB 3.95Å; M224-I525 HydrophobicContact CG-CD1 3.66Å; M224-I525 HydrophobicContact CG-CG1 4.4Å; M224-I525 HydrophobicContact CG-CG2 4.1Å; M224-I525 HydrophobicContact SD-CG2 4.49Å; V518-I525 HydrophobicContact CG1-CG1 4.22Å; A519-I525 WeakPolarHBondContact O-CA 3.18Å; I525-L528 HydrophobicContact CD1-CD2 4.27Å; I525-L528 HydrophobicContact CG2-CD2 3.7Å; I525-L528 HydrophobicContact CG2-CG 3.8Å; I525-L546 HydrophobicContact CD1-CD2 3.98Å |
| 526 | S | 98.5 | Very high | 95 | Very high | 0 Ų | 0 | 27.8 Ų | 27.8 | 0% | 0 | 13% | 0.134 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.3 | -27.6 | 172.9 | 53.2 | 0 | 0 | 0 | 0 | 113.4 | A216 G433 A519 | A216-S526 PolarHBondContact N-O 3.49Å; A216-S526 WeakPolarHBondContact O-CA 3.29Å; G433-S526 WeakPolarHBondContact CA-OG 3.39Å; G433-S526 WeakPolarHBondContact O-CB 3.21Å; G433-S526 PolarHBondContact O-OG 3.3Å; A519-S526 PolarHBondContact O-N 2.89Å; A519-S526 PolarHBondContact O-OG 2.95Å |
| 527 | A | 98.4 | Very high | 94.7 | Very high | 1 Ų | 1 | 28 Ų | 28 | 1% | 0.008 | 14% | 0.135 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -154.7 | 144.2 | 175.7 | 0 | 0 | 0 | 0 | 0 | 111.6 | S214 L429 R432 A519 | S214-A527 WeakPolarHBondContact O-CA 3.43Å; S214-A527 WeakPolarHBondContact O-CB 3.42Å; L429-A527 HydrophobicContact CD1-CB 4.21Å; R432-A527 HydrophobicContact CB-CB 3.92Å; A519-A527 HydrophobicContact CB-CB 4.33Å; A519-A527 PolarHBondContact N-O 3.12Å; A519-A527 PolarHBondContact O-N 3.45Å |
| 528 | L | 97.6 | Very high | 94.2 | Very high | 1 Ų | 1 | 30.3 Ų | 30.3 | 1% | 0.005 | 15% | 0.151 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.2 | 143.6 | 166.8 | -60.5 | -179.7 | 0 | 0 | 0 | 109.7 | V212 E213 S214 M224 F516 K517 V518 I525 L546 | V212-L528 HydrophobicContact CG1-CB 4.37Å; E213-L528 CarbonylContact C-O 3.48Å; E213-L528 WeakPolarHBondContact CA-O 3.09Å; S214-L528 PolarHBondContact N-O 3.27Å; S214-L528 VanDerWaalsContact OG-CB 3.26Å; S214-L528 WeakPolarHBondContact OG-CB 3.3Å; S214-L528 PolarHBondContact OG-N 3.03Å; M224-L528 HydrophobicContact CB-CD1 4Å; M224-L528 HydrophobicContact CE-CD1 3.6Å; M224-L528 HydrophobicContact CE-CG 3.78Å; M224-L528 HydrophobicContact CG-CD1 4.47Å; F516-L528 HydrophobicContact CE2-CB 4.12Å; F516-L528 HydrophobicContact CE2-CD1 4.25Å; F516-L528 HydrophobicContact CE2-CD2 3.9Å; F516-L528 HydrophobicContact CE2-CG 4.32Å; F516-L528 HydrophobicContact CZ-CD1 4.23Å; F516-L528 HydrophobicContact CZ-CD2 4.18Å; K517-L528 WeakPolarHBondContact O-CA 3.42Å; V518-L528 HydrophobicContact CB-CD2 4.02Å; V518-L528 HydrophobicContact CG1-CD2 3.66Å; V518-L528 HydrophobicContact CG2-CD2 3.82Å; I525-L528 HydrophobicContact CD1-CD2 4.27Å; I525-L528 HydrophobicContact CG2-CD2 3.7Å; I525-L528 HydrophobicContact CG2-CG 3.8Å; L528-L546 HydrophobicContact CD1-CD2 4.29Å; L528-L546 HydrophobicContact CD2-CD2 4.02Å |
| 529 | Q | 97.7 | Very high | 93.9 | Very high | 3 Ų | 3 | 35.6 Ų | 35.6 | 1% | 0.014 | 17% | 0.174 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -142.7 | 125.1 | 165 | 178.6 | 178.1 | 93.6 | 0 | 0 | 108.9 | V212 E213 L429 F516 K517 | V212-Q529 CarbonylContact O-C 3.57Å; V212-Q529 VanDerWaalsContact O-CA 3.29Å; V212-Q529 WeakPolarHBondContact O-CA 3.35Å; E213-Q529 PolarHBondContact OE2-NE2 2.82Å; E213-Q529 VanDerWaalsContact OE2-NE2 3.12Å; L429-Q529 HydrophobicContact CD1-CB 3.63Å; L429-Q529 HydrophobicContact CD2-CB 3.78Å; L429-Q529 HydrophobicContact CD2-CG 4.3Å; L429-Q529 HydrophobicContact CG-CB 4.32Å; F516-Q529 CarbonylContact C-O 3.59Å; K517-Q529 HydrophobicContact CB-CB 4.28Å; K517-Q529 WeakPolarHBondContact CB-O 3.31Å; K517-Q529 PolarHBondContact N-O 2.68Å; K517-Q529 PolarHBondContact O-N 2.89Å |
| 530 | M | 95 | Very high | 93.6 | Very high | 0 Ų | 0 | 41 Ų | 41 | 0% | 0 | 20% | 0.199 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.4 | 130.1 | -179.4 | -171.3 | 174.4 | 69.9 | 0 | 0 | 109.9 | R120 V209 M211 V212 M514 D515 F516 I532 I537 M542 | R120-M530 PolarHBondContact NH2-O 2.98Å; V209-M530 HydrophobicContact CB-CE 4.45Å; V209-M530 HydrophobicContact CG1-CE 3.6Å; M211-M530 WeakPolarHBondContact CA-O 3.13Å; M211-M530 WeakPolarHBondContact CG-O 3.25Å; V212-M530 HydrophobicContact CB-CB 4.17Å; V212-M530 HydrophobicContact CB-CE 4.37Å; V212-M530 HydrophobicContact CG2-CE 3.86Å; V212-M530 PolarHBondContact N-O 3.05Å; V212-M530 PolarHBondContact O-N 3Å; M514-M530 HydrophobicContact CG-CG 4.12Å; M514-M530 HydrophobicContact CG-SD 4.48Å; M514-M530 HydrophobicContact SD-CG 4.34Å; M514-M530 HydrophobicContact SD-SD 3.96Å; D515-M530 WeakPolarHBondContact O-CA 3.41Å; F516-M530 HydrophobicContact CB-CB 4.48Å; F516-M530 HydrophobicContact CB-CG 4Å; F516-M530 HydrophobicContact CB-SD 4.44Å; F516-M530 HydrophobicContact CD1-SD 4.22Å; F516-M530 HydrophobicContact CD2-CB 3.65Å; F516-M530 HydrophobicContact CD2-CG 3.97Å; F516-M530 HydrophobicContact CD2-SD 4.21Å; F516-M530 HydrophobicContact CE1-SD 4.5Å; F516-M530 HydrophobicContact CE2-CB 4.11Å; F516-M530 HydrophobicContact CE2-SD 4.47Å; F516-M530 HydrophobicContact CG-CB 4.23Å; F516-M530 HydrophobicContact CG-CG 4.02Å; F516-M530 HydrophobicContact CG-SD 4.07Å; M530-I532 HydrophobicContact CE-CD1 3.7Å; M530-I532 HydrophobicContact CE-CG1 4.48Å; M530-I532 HydrophobicContact CG-CD1 4.43Å; M530-I532 HydrophobicContact CG-CG1 4.23Å; M530-I532 HydrophobicContact SD-CD1 4.16Å; M530-I532 HydrophobicContact SD-CG1 4.49Å; M530-I537 HydrophobicContact CE-CD1 3.79Å; M530-I537 HydrophobicContact CE-CG1 4.29Å; M530-I537 HydrophobicContact SD-CD1 3.37Å; M530-I537 WeakPolarHBondContact SD-CD1 3.44Å; M530-I537 HydrophobicContact SD-CG1 4.45Å; M530-M542 HydrophobicContact CE-CE 3.64Å; M530-M542 HydrophobicContact CE-SD 4.05Å; M530-M542 HydrophobicContact SD-CE 3.81Å; M530-M542 HydrophobicContact SD-SD 4.49Å |
| 531 | D | 88.5 | Confident | 93.4 | Very high | 37 Ų | 37 | 41.2 Ų | 41.2 | 20% | 0.198 | 20% | 0.2 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.3 | 141.7 | 165.5 | -73.9 | -40.5 | 0 | 0 | 0 | 109.9 | R120 M514 D515 | R120-D531 WeakPolarHBondContact CB-OD1 3.42Å; R120-D531 WeakPolarHBondContact CG-OD1 3.37Å; R120-D531 IonicContact CZ-OD1 3.2Å; R120-D531 IonicContact CZ-OD2 3.5Å; R120-D531 IonicContact NE-OD1 2.78Å; R120-D531 PolarHBondContact NE-OD1 3.08Å; R120-D531 IonicContact NE-OD2 3.33Å; R120-D531 PolarHBondContact NE-OD2 2.79Å; R120-D531 IonicContact NH1-OD2 2.84Å; R120-D531 IonicContact NH2-OD1 2.78Å; R120-D531 PolarHBondContact NH2-OD1 2.99Å; R120-D531 IonicContact NH2-OD2 3.33Å; R120-D531 PolarHBondContact NH2-OD2 2.83Å; M514-D531 WeakPolarHBondContact CA-O 3.5Å; D515-D531 PolarHBondContact N-O 3.18Å; D515-D531 PolarHBondContact O-N 3.49Å |
| 532 | I | 91.8 | Very high | 93.2 | Very high | 5 Ų | 5 | 41.1 Ų | 41.1 | 3% | 0.026 | 20% | 0.199 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.9 | 146 | -179.8 | -63 | 162.4 | 0 | 0 | 0 | 108.4 | P124 V209 L210 D513 M514 M530 I534 I537 | P124-I532 WeakPolarHBondContact CG-O 3.38Å; V209-I532 WeakPolarHBondContact O-CD1 3.35Å; L210-I532 PolarHBondContact O-N 2.9Å; D513-I532 CarbonylContact O-C 3.23Å; D513-I532 VanDerWaalsContact O-CA 3.3Å; D513-I532 WeakPolarHBondContact O-CA 3.31Å; D513-I532 WeakPolarHBondContact O-CG2 3.33Å; M514-I532 HydrophobicContact CB-CG1 4.44Å; M514-I532 HydrophobicContact CG-CG1 4.07Å; M530-I532 HydrophobicContact CE-CD1 3.7Å; M530-I532 HydrophobicContact CE-CG1 4.48Å; M530-I532 HydrophobicContact CG-CD1 4.43Å; M530-I532 HydrophobicContact CG-CG1 4.23Å; M530-I532 HydrophobicContact SD-CD1 4.16Å; M530-I532 HydrophobicContact SD-CG1 4.49Å; I532-I534 HydrophobicContact CG2-CB 4.29Å; I532-I534 HydrophobicContact CG2-CD1 4.31Å; I532-I534 HydrophobicContact CG2-CG1 3.28Å; I532-I534 WeakPolarHBondContact CG2-O 3.39Å; I532-I537 HydrophobicContact CD1-CB 4.11Å; I532-I537 HydrophobicContact CD1-CD1 3.73Å; I532-I537 HydrophobicContact CD1-CG1 3.55Å; I532-I537 HydrophobicContact CD1-CG2 3.77Å; I532-I537 HydrophobicContact CG1-CG2 4.25Å; I532-I537 HydrophobicContact CG2-CG2 4.34Å |
| 533 | K | 89.1 | Confident | 93.2 | Very high | 99 Ų | 99 | 37.8 Ų | 37.8 | 43% | 0.43 | 19% | 0.188 | S | C | . | . | S | Bend | trans | -105.1 | -4.3 | 178.2 | -60.4 | -176 | -172 | 165.3 | 0 | 113.8 | D509 H510 G512 D513 | D509-K533 PolarHBondContact O-NZ 3.25Å; D509-K533 IonicContact OD1-NZ 3.85Å; H510-K533 PolarHBondContact O-NZ 2.82Å; G512-K533 WeakPolarHBondContact O-CD 3.37Å; D513-K533 PolarHBondContact O-N 3.22Å |
| 534 | I | 88.8 | Confident | 93.2 | Very high | 44 Ų | 44 | 34.8 Ų | 34.8 | 23% | 0.226 | 17% | 0.174 | C | C | . | . | S | Bend | trans | -106.3 | 176.5 | 173.1 | 59.1 | 172 | 0 | 0 | 0 | 110.5 | L210 K493 D513 I532 G536 I537 | L210-I534 WeakPolarHBondContact CD2-O 3.26Å; K493-I534 HydrophobicContact CD-CD1 4.06Å; D513-I534 HydrophobicContact CB-CD1 4.15Å; D513-I534 HydrophobicContact CB-CG1 4.24Å; D513-I534 HydrophobicContact CB-CG2 3.99Å; I532-I534 HydrophobicContact CG2-CB 4.29Å; I532-I534 HydrophobicContact CG2-CD1 4.31Å; I532-I534 HydrophobicContact CG2-CG1 3.28Å; I532-I534 WeakPolarHBondContact CG2-O 3.39Å; I534-G536 WeakPolarHBondContact CD1-O 3.32Å; I534-G536 PolarHBondContact O-N 3.46Å; I534-I537 HydrophobicContact CD1-CG2 4.37Å |
| 535 | E | 82.9 | Confident | 93.2 | Very high | 119 Ų | 119 | 34.7 Ų | 34.7 | 56% | 0.556 | 17% | 0.173 | S | C | * | . | S | Bend | trans | -65.9 | -6.5 | -177.3 | -61.3 | -172.1 | 156.7 | 0 | 0 | 114.7 | L210 | L210-E535 VanDerWaalsContact CD2-C 3.47Å; L210-E535 VanDerWaalsContact CD2-O 3.31Å; L210-E535 WeakPolarHBondContact CD2-O 3.47Å |
| 536 | G | 86.3 | Confident | 93.2 | Very high | 13 Ų | 13 | 34.7 Ų | 34.7 | 13% | 0.134 | 17% | 0.173 | C | C | . | . | trans | 145.2 | -177.8 | 164.7 | 0 | 0 | 0 | 0 | 0 | 113 | V209 I534 | V209-G536 WeakPolarHBondContact O-CA 3.2Å; I534-G536 WeakPolarHBondContact CD1-O 3.32Å; I534-G536 PolarHBondContact O-N 3.46Å | ||
| 537 | I | 90.5 | Very high | 93.1 | Very high | 4 Ų | 4 | 38.8 Ų | 38.8 | 2% | 0.021 | 20% | 0.195 | C | C | . | . | B | Isolated β-bridge | trans | -126.1 | 160 | 176.4 | 67.8 | -179.1 | 0 | 0 | 0 | 112 | V209 L491 M514 M530 I532 I534 I541 M542 | V209-I537 PolarHBondContact N-O 2.69Å; V209-I537 PolarHBondContact O-N 3.02Å; V209-I537 VanDerWaalsContact O-N 3.08Å; L491-I537 HydrophobicContact CD2-CG2 3.62Å; M514-I537 HydrophobicContact SD-CD1 3.56Å; M514-I537 VanDerWaalsContact SD-CD1 3.56Å; M530-I537 HydrophobicContact CE-CD1 3.79Å; M530-I537 HydrophobicContact CE-CG1 4.29Å; M530-I537 HydrophobicContact SD-CD1 3.37Å; M530-I537 WeakPolarHBondContact SD-CD1 3.44Å; M530-I537 HydrophobicContact SD-CG1 4.45Å; I532-I537 HydrophobicContact CD1-CB 4.11Å; I532-I537 HydrophobicContact CD1-CD1 3.73Å; I532-I537 HydrophobicContact CD1-CG1 3.55Å; I532-I537 HydrophobicContact CD1-CG2 3.77Å; I532-I537 HydrophobicContact CG1-CG2 4.25Å; I532-I537 HydrophobicContact CG2-CG2 4.34Å; I534-I537 HydrophobicContact CD1-CG2 4.37Å; I537-I541 HydrophobicContact CB-CB 4.45Å; I537-I541 HydrophobicContact CB-CD1 4.49Å; I537-I541 HydrophobicContact CB-CG2 4.39Å; I537-M542 HydrophobicContact CD1-CG 3.32Å; I537-M542 HydrophobicContact CD1-SD 4.07Å; I537-M542 HydrophobicContact CG1-CG 3.81Å; I537-M542 HydrophobicContact CG1-SD 4.24Å |
| 538 | T | 89 | Confident | 93.1 | Very high | 62 Ų | 62 | 40.4 Ų | 40.4 | 38% | 0.38 | 20% | 0.202 | S | C | . | . | trans | -91.1 | 165.6 | 179 | 77.7 | 0 | 0 | 0 | 0 | 112.3 | E540 I541 M542 | T538-E540 WeakPolarHBondContact CB-OE2 3.48Å; T538-E540 PolarHBondContact O-N 3.44Å; T538-E540 PolarHBondContact OG1-N 3.49Å; T538-E540 PolarHBondContact OG1-OE2 3.46Å; T538-I541 PolarHBondContact O-N 2.83Å; T538-M542 PolarHBondContact O-N 2.91Å | ||
| 539 | K | 91.4 | Very high | 93.1 | Very high | 111 Ų | 111 | 40.3 Ų | 40.3 | 48% | 0.483 | 20% | 0.202 | S | C | . | . | H | α-helix | trans | -55.9 | -39 | 174.6 | 179.9 | -176.9 | 178 | 177.4 | 0 | 112.2 | L225 V229 M542 Q543 | L225-K539 HydrophobicContact CD1-CG 4.29Å; L225-K539 HydrophobicContact CD2-CG 4.19Å; L225-K539 HydrophobicContact CG-CG 4.44Å; V229-K539 HydrophobicContact CG2-CB 4.35Å; V229-K539 HydrophobicContact CG2-CD 3.72Å; V229-K539 HydrophobicContact CG2-CG 3.79Å; K539-M542 PolarHBondContact O-N 2.93Å; K539-Q543 PolarHBondContact O-N 2.97Å |
| 540 | E | 92.7 | Very high | 93.2 | Very high | 115 Ų | 115 | 44.3 Ų | 44.3 | 54% | 0.537 | 22% | 0.219 | S | C | . | . | H | α-helix | trans | -64 | -45.9 | -177.5 | -61.3 | 68.6 | -145.3 | 0 | 0 | 110.8 | T538 M542 Q543 V544 | T538-E540 WeakPolarHBondContact CB-OE2 3.48Å; T538-E540 PolarHBondContact O-N 3.44Å; T538-E540 PolarHBondContact OG1-N 3.49Å; T538-E540 PolarHBondContact OG1-OE2 3.46Å; E540-M542 VanDerWaalsContact C-N 3.33Å; E540-M542 PolarHBondContact O-N 2.89Å; E540-Q543 PolarHBondContact O-N 3.34Å; E540-V544 WeakPolarHBondContact O-CG2 3.45Å; E540-V544 PolarHBondContact O-N 3.04Å; E540-V544 VanDerWaalsContact O-N 3.08Å |
| 541 | I | 94.1 | Very high | 93.3 | Very high | 4 Ų | 4 | 46.4 Ų | 46.4 | 2% | 0.021 | 24% | 0.241 | C | C | . | . | H | α-helix | trans | -62.2 | -43.4 | 177.1 | -63.9 | 175 | 0 | 0 | 0 | 110.2 | L491 K493 Y498 I537 T538 Q543 V544 A545 | L491-I541 HydrophobicContact CD1-CG2 3.8Å; L491-I541 HydrophobicContact CD2-CD1 4.48Å; L491-I541 HydrophobicContact CD2-CG2 3.96Å; K493-I541 HydrophobicContact CD-CD1 4.03Å; Y498-I541 HydrophobicContact CD1-CD1 4.42Å; Y498-I541 HydrophobicContact CD1-CG1 4.35Å; Y498-I541 HydrophobicContact CD2-CG1 4.21Å; Y498-I541 HydrophobicContact CE1-CG1 4.18Å; Y498-I541 HydrophobicContact CE2-CG1 4.04Å; Y498-I541 HydrophobicContact CG-CD1 4.4Å; Y498-I541 HydrophobicContact CG-CG1 4.37Å; I537-I541 HydrophobicContact CB-CB 4.45Å; I537-I541 HydrophobicContact CB-CD1 4.49Å; I537-I541 HydrophobicContact CB-CG2 4.39Å; T538-I541 PolarHBondContact O-N 2.83Å; I541-Q543 PolarHBondContact O-N 2.85Å; I541-V544 PolarHBondContact O-N 3.19Å; I541-A545 WeakPolarHBondContact O-CB 3.29Å; I541-A545 PolarHBondContact O-N 3.44Å |
| 542 | M | 95.1 | Very high | 93.8 | Very high | 3 Ų | 3 | 45 Ų | 45 | 2% | 0.015 | 23% | 0.234 | C | C | . | . | H | α-helix | trans | -62 | -42 | 177.4 | -69.9 | -169.3 | 77.5 | 0 | 0 | 112.6 | V209 V212 L225 V228 F516 M530 I537 T538 K539 E540 A545 L546 | V209-M542 HydrophobicContact CB-SD 4.48Å; V212-M542 HydrophobicContact CG2-CE 4.22Å; L225-M542 HydrophobicContact CD1-CB 3.74Å; V228-M542 HydrophobicContact CB-CE 4.44Å; V228-M542 HydrophobicContact CG1-CE 3.84Å; V228-M542 HydrophobicContact CG1-SD 3.86Å; V228-M542 HydrophobicContact CG2-CE 4.2Å; F516-M542 HydrophobicContact CZ-CE 4.28Å; M530-M542 HydrophobicContact CE-CE 3.64Å; M530-M542 HydrophobicContact CE-SD 4.05Å; M530-M542 HydrophobicContact SD-CE 3.81Å; M530-M542 HydrophobicContact SD-SD 4.49Å; I537-M542 HydrophobicContact CD1-CG 3.32Å; I537-M542 HydrophobicContact CD1-SD 4.07Å; I537-M542 HydrophobicContact CG1-CG 3.81Å; I537-M542 HydrophobicContact CG1-SD 4.24Å; T538-M542 PolarHBondContact O-N 2.91Å; K539-M542 PolarHBondContact O-N 2.93Å; E540-M542 VanDerWaalsContact C-N 3.33Å; E540-M542 PolarHBondContact O-N 2.89Å; M542-A545 PolarHBondContact O-N 2.84Å; M542-L546 WeakPolarHBondContact O-CB 3.31Å; M542-L546 WeakPolarHBondContact O-CG 3.29Å; M542-L546 PolarHBondContact O-N 3.38Å |
| 543 | Q | 97 | Very high | 94.1 | Very high | 51 Ų | 51 | 45 Ų | 45 | 24% | 0.238 | 23% | 0.234 | C | C | . | . | H | α-helix | trans | -61.2 | -46.4 | 177.3 | -177.4 | 71.3 | 74.5 | 0 | 0 | 111.1 | L225 K539 E540 I541 A545 L546 N547 | L225-Q543 HydrophobicContact CD2-CB 3.82Å; L225-Q543 HydrophobicContact CD2-CG 4.26Å; K539-Q543 PolarHBondContact O-N 2.97Å; E540-Q543 PolarHBondContact O-N 3.34Å; I541-Q543 PolarHBondContact O-N 2.85Å; Q543-A545 VanDerWaalsContact C-N 3.31Å; Q543-A545 PolarHBondContact O-N 2.85Å; Q543-L546 PolarHBondContact O-N 3.25Å; Q543-N547 PolarHBondContact NE2-ND2 3.26Å; Q543-N547 PolarHBondContact NE2-OD1 2.97Å; Q543-N547 VanDerWaalsContact NE2-OD1 3.11Å; Q543-N547 WeakPolarHBondContact O-CB 3.27Å; Q543-N547 VanDerWaalsContact O-CG 3.24Å; Q543-N547 PolarHBondContact O-N 3.15Å; Q543-N547 PolarHBondContact O-ND2 2.83Å |
| 544 | V | 97 | Very high | 94.5 | Very high | 56 Ų | 56 | 43.2 Ų | 43.2 | 34% | 0.339 | 23% | 0.229 | S | C | . | . | H | α-helix | trans | -59.3 | -46.6 | 177.1 | 173.9 | 0 | 0 | 0 | 0 | 109.9 | V500 E540 I541 L546 N547 Q548 | V500-V544 HydrophobicContact CB-CG1 4.3Å; V500-V544 HydrophobicContact CG2-CB 4.47Å; V500-V544 HydrophobicContact CG2-CG1 3.92Å; E540-V544 WeakPolarHBondContact O-CG2 3.45Å; E540-V544 PolarHBondContact O-N 3.04Å; E540-V544 VanDerWaalsContact O-N 3.08Å; I541-V544 PolarHBondContact O-N 3.19Å; V544-L546 PolarHBondContact O-N 2.87Å; V544-N547 PolarHBondContact O-N 2.71Å; V544-Q548 WeakPolarHBondContact O-CB 3.44Å; V544-Q548 PolarHBondContact O-N 2.7Å |
| 545 | A | 97.1 | Very high | 95 | Very high | 0 Ų | 0 | 46.1 Ų | 46.1 | 0% | 0 | 24% | 0.241 | C | C | . | . | H | α-helix | trans | -62.9 | -42.7 | 179.5 | 0 | 0 | 0 | 0 | 0 | 113.3 | V500 M514 F516 I541 M542 Q543 Q548 A549 | V500-A545 HydrophobicContact CG1-CB 4.04Å; M514-A545 HydrophobicContact CE-CB 4.15Å; F516-A545 HydrophobicContact CD1-CB 3.73Å; F516-A545 HydrophobicContact CE1-CB 4.05Å; I541-A545 WeakPolarHBondContact O-CB 3.29Å; I541-A545 PolarHBondContact O-N 3.44Å; M542-A545 PolarHBondContact O-N 2.84Å; Q543-A545 VanDerWaalsContact C-N 3.31Å; Q543-A545 PolarHBondContact O-N 2.85Å; A545-Q548 PolarHBondContact O-N 3.37Å; A545-A549 WeakPolarHBondContact O-CB 3.34Å; A545-A549 PolarHBondContact O-N 2.97Å |
| 546 | L | 97.9 | Very high | 95.7 | Very high | 1 Ų | 1 | 40.4 Ų | 40.4 | 1% | 0.005 | 22% | 0.215 | C | C | . | . | H | α-helix | trans | -64.4 | -42.6 | 176.3 | -76.9 | 171.8 | 0 | 0 | 0 | 112.3 | E221 L225 F516 V518 I525 L528 M542 Q543 V544 A549 K550 | E221-L546 HydrophobicContact CB-CB 4.39Å; E221-L546 HydrophobicContact CG-CB 4.32Å; L225-L546 HydrophobicContact CB-CD1 3.88Å; L225-L546 HydrophobicContact CD1-CD1 4.35Å; F516-L546 HydrophobicContact CE1-CD2 3.96Å; F516-L546 HydrophobicContact CE1-CG 3.93Å; F516-L546 HydrophobicContact CZ-CD2 3.63Å; F516-L546 HydrophobicContact CZ-CG 3.99Å; V518-L546 HydrophobicContact CG2-CD2 4.43Å; I525-L546 HydrophobicContact CD1-CD2 3.98Å; L528-L546 HydrophobicContact CD1-CD2 4.29Å; L528-L546 HydrophobicContact CD2-CD2 4.02Å; M542-L546 WeakPolarHBondContact O-CB 3.31Å; M542-L546 WeakPolarHBondContact O-CG 3.29Å; M542-L546 PolarHBondContact O-N 3.38Å; Q543-L546 PolarHBondContact O-N 3.25Å; V544-L546 PolarHBondContact O-N 2.87Å; L546-A549 PolarHBondContact O-N 2.99Å; L546-K550 PolarHBondContact O-N 3.3Å |
| 547 | N | 97.9 | Very high | 96.3 | Very high | 85 Ų | 85 | 39.9 Ų | 39.9 | 46% | 0.455 | 21% | 0.209 | S | C | . | . | H | α-helix | trans | -64.2 | -44.2 | 178.5 | -72.5 | -13.7 | 0 | 0 | 0 | 111.4 | Q543 V544 K550 G551 | Q543-N547 PolarHBondContact NE2-ND2 3.26Å; Q543-N547 PolarHBondContact NE2-OD1 2.97Å; Q543-N547 VanDerWaalsContact NE2-OD1 3.11Å; Q543-N547 WeakPolarHBondContact O-CB 3.27Å; Q543-N547 VanDerWaalsContact O-CG 3.24Å; Q543-N547 PolarHBondContact O-N 3.15Å; Q543-N547 PolarHBondContact O-ND2 2.83Å; V544-N547 PolarHBondContact O-N 2.71Å; N547-K550 WeakPolarHBondContact O-CB 3.46Å; N547-K550 PolarHBondContact O-N 2.97Å; N547-G551 PolarHBondContact O-N 2.75Å |
| 548 | Q | 97.9 | Very high | 96.7 | Very high | 35 Ų | 35 | 40.7 Ų | 40.7 | 16% | 0.164 | 22% | 0.218 | C | C | . | . | H | α-helix | trans | -66.7 | -40.3 | 177 | -166 | 175.3 | -38.4 | 0 | 0 | 111.1 | K344 D345 M489 V500 S502 V544 A545 K550 G551 A552 | K344-Q548 PolarHBondContact O-NE2 3.31Å; D345-Q548 HydrophobicContact CB-CG 4.33Å; M489-Q548 HydrophobicContact CE-CB 3.79Å; M489-Q548 HydrophobicContact CE-CG 3.66Å; V500-Q548 PolarHBondContact O-NE2 2.86Å; S502-Q548 VanDerWaalsContact N-NE2 3.19Å; S502-Q548 VanDerWaalsContact OG-CG 3.3Å; S502-Q548 WeakPolarHBondContact OG-CG 3.42Å; S502-Q548 PolarHBondContact OG-NE2 2.84Å; V544-Q548 WeakPolarHBondContact O-CB 3.44Å; V544-Q548 PolarHBondContact O-N 2.7Å; A545-Q548 PolarHBondContact O-N 3.37Å; Q548-K550 VanDerWaalsContact C-N 3.32Å; Q548-K550 PolarHBondContact O-N 3.41Å; Q548-G551 PolarHBondContact O-N 3.37Å; Q548-A552 PolarHBondContact O-N 3.03Å |
| 549 | A | 98.2 | Very high | 97.1 | Very high | 0 Ų | 0 | 39.1 Ų | 39.1 | 0% | 0 | 21% | 0.209 | C | C | . | . | H | α-helix | trans | -62 | -36.7 | 174.1 | 0 | 0 | 0 | 0 | 0 | 112.8 | I487 M489 V518 A545 L546 A552 R553 | I487-A549 HydrophobicContact CG2-CB 3.88Å; M489-A549 HydrophobicContact CG-CB 3.78Å; M489-A549 HydrophobicContact SD-CB 3.78Å; V518-A549 HydrophobicContact CB-CB 3.9Å; V518-A549 HydrophobicContact CG1-CB 4.04Å; V518-A549 HydrophobicContact CG2-CB 3.74Å; A545-A549 WeakPolarHBondContact O-CB 3.34Å; A545-A549 PolarHBondContact O-N 2.97Å; L546-A549 PolarHBondContact O-N 2.99Å; A549-A552 PolarHBondContact O-N 3.45Å; A549-R553 WeakPolarHBondContact O-CB 3.4Å; A549-R553 WeakPolarHBondContact O-CG 3.46Å; A549-R553 PolarHBondContact O-N 3.18Å; A549-R553 PolarHBondContact O-NE 3.21Å |
| 550 | K | 98.4 | Very high | 97.5 | Very high | 86 Ų | 86 | 33.9 Ų | 33.9 | 37% | 0.374 | 19% | 0.186 | S | C | . | . | H | α-helix | trans | -60.5 | -50.6 | 173.8 | -174.1 | -177.2 | -166.5 | 149 | 0 | 111.2 | E221 L546 N547 Q548 A552 R553 L554 | E221-K550 HydrophobicContact CG-CB 4.33Å; E221-K550 HydrophobicContact CG-CD 4.28Å; E221-K550 WeakPolarHBondContact OE2-CD 3.46Å; E221-K550 WeakPolarHBondContact OE2-CE 3.41Å; E221-K550 IonicContact OE2-NZ 3.67Å; E221-K550 PolarHBondContact OE2-NZ 2.82Å; L546-K550 PolarHBondContact O-N 3.3Å; N547-K550 WeakPolarHBondContact O-CB 3.46Å; N547-K550 PolarHBondContact O-N 2.97Å; Q548-K550 VanDerWaalsContact C-N 3.32Å; Q548-K550 PolarHBondContact O-N 3.41Å; K550-A552 VanDerWaalsContact C-N 3.32Å; K550-A552 PolarHBondContact O-N 2.96Å; K550-R553 PolarHBondContact O-N 2.8Å; K550-L554 HydrophobicContact CG-CD1 4.2Å; K550-L554 WeakPolarHBondContact O-CG 3.18Å; K550-L554 PolarHBondContact O-N 3.14Å |
| 551 | G | 97.9 | Very high | 97.7 | Very high | 45 Ų | 45 | 31.7 Ų | 31.7 | 46% | 0.464 | 18% | 0.175 | S | C | . | . | H | α-helix | trans | -56.1 | -47.3 | 176.3 | 0 | 0 | 0 | 0 | 0 | 112.2 | N547 Q548 L554 H555 | N547-G551 PolarHBondContact O-N 2.75Å; Q548-G551 PolarHBondContact O-N 3.37Å; G551-L554 PolarHBondContact O-N 3.18Å; G551-H555 PolarHBondContact O-N 2.57Å; G551-H555 VanDerWaalsContact O-N 3.08Å |
| 552 | A | 98.2 | Very high | 97.8 | Very high | 6 Ų | 6 | 39.1 Ų | 39.1 | 5% | 0.05 | 21% | 0.21 | C | C | . | . | H | α-helix | trans | -60.6 | -47.3 | 177.7 | 0 | 0 | 0 | 0 | 0 | 113.3 | I347 I487 Q548 A549 K550 H555 I556 | I347-A552 HydrophobicContact CD1-CB 3.5Å; I347-A552 HydrophobicContact CG1-CB 4.26Å; I487-A552 HydrophobicContact CB-CB 4.42Å; I487-A552 HydrophobicContact CG1-CB 3.9Å; I487-A552 HydrophobicContact CG2-CB 4.36Å; Q548-A552 PolarHBondContact O-N 3.03Å; A549-A552 PolarHBondContact O-N 3.45Å; K550-A552 VanDerWaalsContact C-N 3.32Å; K550-A552 PolarHBondContact O-N 2.96Å; A552-H555 WeakPolarHBondContact O-CB 3.33Å; A552-H555 PolarHBondContact O-N 3.34Å; A552-I556 WeakPolarHBondContact O-CG1 3.38Å; A552-I556 PolarHBondContact O-N 2.9Å |
| 553 | R | 98.3 | Very high | 97.9 | Very high | 5 Ų | 5 | 41 Ų | 41 | 2% | 0.019 | 23% | 0.226 | C | C | . | . | H | α-helix | trans | -63 | -43.9 | 178.5 | -74.8 | -179.6 | -60.6 | 164.5 | 6.9 | 112 | E221 A485 I487 A519 A549 K550 H555 I556 L557 | E221-R553 IonicContact OE1-CZ 2.75Å; E221-R553 IonicContact OE1-NH2 2.8Å; E221-R553 PolarHBondContact OE1-NH2 2.97Å; A485-R553 HydrophobicContact CB-CB 4.45Å; I487-R553 HydrophobicContact CB-CG 4.35Å; I487-R553 HydrophobicContact CG2-CG 3.79Å; A519-R553 PolarHBondContact O-NH1 3.12Å; A549-R553 WeakPolarHBondContact O-CB 3.4Å; A549-R553 WeakPolarHBondContact O-CG 3.46Å; A549-R553 PolarHBondContact O-N 3.18Å; A549-R553 PolarHBondContact O-NE 3.21Å; K550-R553 PolarHBondContact O-N 2.8Å; R553-H555 VanDerWaalsContact C-N 3.27Å; R553-H555 PolarHBondContact O-N 3.41Å; R553-I556 PolarHBondContact O-N 2.98Å; R553-L557 WeakPolarHBondContact O-CB 3.31Å; R553-L557 VanDerWaalsContact O-CG 3.3Å; R553-L557 WeakPolarHBondContact O-CG 3.22Å; R553-L557 PolarHBondContact O-N 2.85Å |
| 554 | L | 98.4 | Very high | 97.9 | Very high | 62 Ų | 62 | 39.5 Ų | 39.5 | 33% | 0.325 | 22% | 0.219 | S | C | . | . | H | α-helix | trans | -62.4 | -36.8 | 178.3 | -69.2 | 177.8 | 0 | 0 | 0 | 111.9 | R522 K550 G551 L557 G558 | R522-L554 HydrophobicContact CB-CD2 4.35Å; R522-L554 HydrophobicContact CG-CD2 4Å; K550-L554 HydrophobicContact CG-CD1 4.2Å; K550-L554 WeakPolarHBondContact O-CG 3.18Å; K550-L554 PolarHBondContact O-N 3.14Å; G551-L554 PolarHBondContact O-N 3.18Å; L554-L557 HydrophobicContact CD2-CD1 4.45Å; L554-G558 PolarHBondContact O-N 2.9Å |
| 555 | H | 98.3 | Very high | 97.8 | Very high | 105 Ų | 105 | 43.1 Ų | 43.1 | 49% | 0.486 | 24% | 0.237 | S | C | . | . | H | α-helix | trans | -63.4 | -49.4 | 172.6 | 178.5 | 62.3 | 0 | 0 | 0 | 111.7 | G551 A552 R553 L557 G558 V559 | G551-H555 PolarHBondContact O-N 2.57Å; G551-H555 VanDerWaalsContact O-N 3.08Å; A552-H555 WeakPolarHBondContact O-CB 3.33Å; A552-H555 PolarHBondContact O-N 3.34Å; R553-H555 VanDerWaalsContact C-N 3.27Å; R553-H555 PolarHBondContact O-N 3.41Å; H555-L557 PolarHBondContact O-N 3.49Å; H555-G558 PolarHBondContact O-N 3.35Å; H555-G558 VanDerWaalsContact O-N 3.16Å; H555-V559 PolarHBondContact O-N 3.29Å; H555-V559 VanDerWaalsContact O-N 3.13Å |
| 556 | I | 98.6 | Very high | 97.7 | Very high | 0 Ų | 0 | 45.4 Ų | 45.4 | 0% | 0 | 26% | 0.256 | C | S | . | . | H | α-helix | trans | -61.2 | -44.8 | 179.1 | -66.3 | 161 | 0 | 0 | 0 | 111.4 | I347 L350 F366 A485 I487 A552 R553 G558 V559 M560 | I347-I556 HydrophobicContact CG2-CD1 4.44Å; I347-I556 HydrophobicContact CG2-CG1 4.36Å; L350-I556 HydrophobicContact CD1-CB 4.48Å; L350-I556 HydrophobicContact CD1-CG1 3.98Å; L350-I556 HydrophobicContact CD2-CG1 4.5Å; F366-I556 HydrophobicContact CE2-CG2 4.17Å; F366-I556 HydrophobicContact CZ-CG2 4.09Å; A485-I556 HydrophobicContact CB-CB 4.06Å; A485-I556 HydrophobicContact CB-CG2 3.75Å; I487-I556 HydrophobicContact CB-CD1 4.42Å; I487-I556 HydrophobicContact CD1-CD1 3.93Å; A552-I556 WeakPolarHBondContact O-CG1 3.38Å; A552-I556 PolarHBondContact O-N 2.9Å; R553-I556 PolarHBondContact O-N 2.98Å; I556-G558 VanDerWaalsContact C-N 3.29Å; I556-G558 PolarHBondContact O-N 3.3Å; I556-V559 PolarHBondContact O-N 2.91Å; I556-V559 VanDerWaalsContact O-N 3.11Å; I556-M560 HydrophobicContact CG2-CG 4.32Å; I556-M560 HydrophobicContact CG2-SD 3.76Å; I556-M560 WeakPolarHBondContact O-CG 3.3Å; I556-M560 PolarHBondContact O-N 2.78Å |
| 557 | L | 98.5 | Very high | 97.7 | Very high | 1 Ų | 1 | 47.4 Ų | 47.4 | 1% | 0.005 | 27% | 0.269 | C | S | . | . | H | α-helix | trans | -57.3 | -43.7 | 174.9 | -74.1 | 167.8 | 0 | 0 | 0 | 111.2 | A483 A485 R522 R553 L554 H555 V559 M560 E561 | A483-L557 HydrophobicContact CB-CD2 3.89Å; A485-L557 HydrophobicContact CB-CD1 4.49Å; A485-L557 HydrophobicContact CB-CD2 3.81Å; A485-L557 HydrophobicContact CB-CG 3.67Å; R522-L557 HydrophobicContact CG-CD1 3.94Å; R553-L557 WeakPolarHBondContact O-CB 3.31Å; R553-L557 VanDerWaalsContact O-CG 3.3Å; R553-L557 WeakPolarHBondContact O-CG 3.22Å; R553-L557 PolarHBondContact O-N 2.85Å; L554-L557 HydrophobicContact CD2-CD1 4.45Å; H555-L557 PolarHBondContact O-N 3.49Å; L557-V559 VanDerWaalsContact C-N 3.27Å; L557-V559 PolarHBondContact O-N 2.78Å; L557-M560 HydrophobicContact CD2-SD 4.41Å; L557-M560 PolarHBondContact O-N 3.18Å; L557-E561 WeakPolarHBondContact O-CB 3.47Å; L557-E561 VanDerWaalsContact O-CG 3.25Å; L557-E561 WeakPolarHBondContact O-CG 3.16Å; L557-E561 PolarHBondContact O-N 3.33Å |
| 558 | G | 98.5 | Very high | 97.6 | Very high | 22 Ų | 22 | 49.2 Ų | 49.2 | 23% | 0.227 | 27% | 0.269 | C | S | . | . | H | α-helix | trans | -61.6 | -32.1 | 176.7 | 0 | 0 | 0 | 0 | 0 | 113.8 | L554 H555 I556 Q562 | L554-G558 PolarHBondContact O-N 2.9Å; H555-G558 PolarHBondContact O-N 3.35Å; H555-G558 VanDerWaalsContact O-N 3.16Å; I556-G558 VanDerWaalsContact C-N 3.29Å; I556-G558 PolarHBondContact O-N 3.3Å; G558-Q562 WeakPolarHBondContact O-CG 3.21Å; G558-Q562 PolarHBondContact O-NE2 3.17Å |
| 559 | V | 98.2 | Very high | 97.4 | Very high | 29 Ų | 29 | 51.9 Ų | 51.9 | 18% | 0.176 | 31% | 0.307 | C | S | . | . | H | α-helix | trans | -76.5 | -42.4 | 173.4 | 177.7 | 0 | 0 | 0 | 0 | 111.2 | L350 V352 H555 I556 L557 E561 Q562 | L350-V559 HydrophobicContact CB-CG1 3.9Å; L350-V559 HydrophobicContact CD1-CB 4.02Å; L350-V559 HydrophobicContact CD1-CG1 4.28Å; L350-V559 HydrophobicContact CD1-CG2 3.83Å; V352-V559 HydrophobicContact CG2-CG1 4.16Å; H555-V559 PolarHBondContact O-N 3.29Å; H555-V559 VanDerWaalsContact O-N 3.13Å; I556-V559 PolarHBondContact O-N 2.91Å; I556-V559 VanDerWaalsContact O-N 3.11Å; L557-V559 VanDerWaalsContact C-N 3.27Å; L557-V559 PolarHBondContact O-N 2.78Å; V559-E561 VanDerWaalsContact C-N 3.29Å; V559-E561 PolarHBondContact O-N 2.83Å; V559-Q562 WeakPolarHBondContact O-CB 3.25Å; V559-Q562 PolarHBondContact O-N 2.89Å; V559-Q562 VanDerWaalsContact O-N 3.1Å |
| 560 | M | 98.5 | Very high | 97 | Very high | 1 Ų | 1 | 56.3 Ų | 56.3 | 1% | 0.005 | 33% | 0.33 | C | S | . | . | H | α-helix | trans | -57.9 | -42.2 | 176.4 | -71 | 165.9 | 60 | 0 | 0 | 112 | F366 C467 L471 A483 A485 I556 L557 Q562 A563 I564 | F366-M560 HydrophobicContact CE2-CG 4.29Å; C467-M560 HydrophobicContact CB-CE 4.35Å; C467-M560 HydrophobicContact CB-SD 3.97Å; L471-M560 HydrophobicContact CD1-CG 4.36Å; L471-M560 HydrophobicContact CD2-CB 4.07Å; L471-M560 HydrophobicContact CD2-CE 4.34Å; L471-M560 HydrophobicContact CD2-CG 4.29Å; L471-M560 HydrophobicContact CG-CE 4.03Å; L471-M560 HydrophobicContact CG-CG 4.49Å; A483-M560 HydrophobicContact CB-CE 4.48Å; A485-M560 HydrophobicContact CB-SD 4.1Å; I556-M560 HydrophobicContact CG2-CG 4.32Å; I556-M560 HydrophobicContact CG2-SD 3.76Å; I556-M560 WeakPolarHBondContact O-CG 3.3Å; I556-M560 PolarHBondContact O-N 2.78Å; L557-M560 HydrophobicContact CD2-SD 4.41Å; L557-M560 PolarHBondContact O-N 3.18Å; M560-Q562 PolarHBondContact O-N 3.35Å; M560-A563 PolarHBondContact O-N 3.08Å; M560-I564 PolarHBondContact O-N 2.85Å; M560-I564 VanDerWaalsContact O-N 3.07Å |
| 561 | E | 97.4 | Very high | 96.7 | Very high | 68 Ų | 68 | 53.4 Ų | 53.4 | 32% | 0.318 | 32% | 0.318 | S | S | . | . | H | α-helix | trans | -60.4 | -23.5 | 177.8 | -76 | 164.7 | -175 | 0 | 0 | 113.3 | R522 L557 V559 A563 I564 N565 | R522-E561 IonicContact CZ-OE1 3.41Å; R522-E561 IonicContact CZ-OE2 2.73Å; R522-E561 IonicContact NE-OE1 2.65Å; R522-E561 PolarHBondContact NE-OE1 2.84Å; R522-E561 IonicContact NE-OE2 3.98Å; R522-E561 VanDerWaalsContact NH2-CD 3.26Å; R522-E561 IonicContact NH2-OE1 2.65Å; R522-E561 PolarHBondContact NH2-OE1 2.91Å; R522-E561 IonicContact NH2-OE2 2.9Å; R522-E561 PolarHBondContact NH2-OE2 2.98Å; L557-E561 WeakPolarHBondContact O-CB 3.47Å; L557-E561 VanDerWaalsContact O-CG 3.25Å; L557-E561 WeakPolarHBondContact O-CG 3.16Å; L557-E561 PolarHBondContact O-N 3.33Å; V559-E561 VanDerWaalsContact C-N 3.29Å; V559-E561 PolarHBondContact O-N 2.83Å; E561-A563 VanDerWaalsContact C-N 3.33Å; E561-I564 WeakPolarHBondContact CA-O 3.29Å; E561-N565 HydrophobicContact CB-CB 4.42Å |
| 562 | Q | 97.1 | Very high | 96.2 | Very high | 161 Ų | 161 | 52.4 Ų | 52.4 | 75% | 0.752 | 30% | 0.304 | S | S | * | . | H | α-helix | trans | -72.5 | -28.3 | 174.9 | -62.5 | 170.6 | 19.8 | 0 | 0 | 112.2 | G558 V559 M560 | G558-Q562 WeakPolarHBondContact O-CG 3.21Å; G558-Q562 PolarHBondContact O-NE2 3.17Å; V559-Q562 WeakPolarHBondContact O-CB 3.25Å; V559-Q562 PolarHBondContact O-N 2.89Å; V559-Q562 VanDerWaalsContact O-N 3.1Å; M560-Q562 PolarHBondContact O-N 3.35Å |
| 563 | A | 96.1 | Very high | 95.6 | Very high | 42 Ų | 42 | 59.3 Ų | 59.3 | 35% | 0.347 | 34% | 0.335 | S | S | . | . | H | α-helix | trans | -85.1 | -45.1 | 176.3 | 0 | 0 | 0 | 0 | 0 | 111.6 | V352 M560 E561 | V352-A563 HydrophobicContact CB-CB 4.15Å; V352-A563 HydrophobicContact CG1-CB 3.64Å; M560-A563 PolarHBondContact O-N 3.08Å; E561-A563 VanDerWaalsContact C-N 3.33Å |
| 564 | I | 97 | Very high | 95.3 | Very high | 19 Ų | 19 | 62.1 Ų | 62.1 | 10% | 0.097 | 35% | 0.348 | C | S | . | . | trans | -154.9 | 124.8 | 175.2 | -172.3 | 164 | 0 | 0 | 0 | 109.3 | T354 L471 M474 M560 E561 A566 R568 | T354-I564 HydrophobicContact CG2-CB 4.24Å; T354-I564 HydrophobicContact CG2-CG2 3.7Å; L471-I564 HydrophobicContact CD2-CG2 3.54Å; M474-I564 HydrophobicContact CB-CD1 3.76Å; M474-I564 HydrophobicContact CB-CG1 4.2Å; M474-I564 HydrophobicContact CB-CG2 4.33Å; M474-I564 HydrophobicContact CE-CG2 3.74Å; M474-I564 HydrophobicContact SD-CG2 4.49Å; M560-I564 PolarHBondContact O-N 2.85Å; M560-I564 VanDerWaalsContact O-N 3.07Å; E561-I564 WeakPolarHBondContact CA-O 3.29Å; I564-A566 WeakPolarHBondContact CD1-O 3.33Å; I564-A566 WeakPolarHBondContact CG1-O 3.3Å; I564-R568 HydrophobicContact CD1-CG 4.26Å | ||
| 565 | N | 95.3 | Very high | 94.9 | Very high | 133 Ų | 133 | 59.1 Ų | 59.1 | 71% | 0.711 | 33% | 0.332 | S | S | * | . | S | Bend | trans | -105.6 | -10.3 | -175.8 | 61.5 | 6.8 | 0 | 0 | 0 | 114.1 | E561 | E561-N565 HydrophobicContact CB-CB 4.42Š|
| 566 | A | 96.1 | Very high | 94.5 | Very high | 48 Ų | 48 | 55.1 Ų | 55.1 | 40% | 0.397 | 32% | 0.316 | S | S | . | . | S | Bend | trans | -152.4 | 154.1 | 176.5 | 0 | 0 | 0 | 0 | 0 | 109.4 | I564 | I564-A566 WeakPolarHBondContact CD1-O 3.33Å; I564-A566 WeakPolarHBondContact CG1-O 3.3Å |
| 567 | P | 97.3 | Very high | 94.2 | Very high | 42 Ų | 42 | 60 Ų | 60 | 27% | 0.273 | 33% | 0.334 | S | S | . | . | trans | -49.9 | 143.3 | 169.1 | -24.9 | 32.7 | 0 | 0 | 0 | 112.1 | M474 V478 I480 | M474-P567 HydrophobicContact CG-CG 4.06Å; M474-P567 WeakPolarHBondContact O-CA 3.34Å; V478-P567 WeakPolarHBondContact O-CB 3.31Å; V478-P567 VanDerWaalsContact O-CG 3.29Å; V478-P567 WeakPolarHBondContact O-CG 3.48Å; I480-P567 HydrophobicContact CG1-CG 4.41Å | ||
| 568 | R | 96.3 | Very high | 93.8 | Very high | 123 Ų | 123 | 61.7 Ų | 61.7 | 46% | 0.464 | 34% | 0.343 | S | S | . | . | trans | -57.1 | 143.1 | 171.3 | -65.6 | -166.8 | -174 | -88.3 | -2.4 | 109.7 | M474 D475 G477 I564 D570 | M474-R568 PolarHBondContact O-N 2.95Å; D475-R568 WeakPolarHBondContact O-CD 3.3Å; D475-R568 PolarHBondContact O-NE 3.45Å; D475-R568 IonicContact OD1-CZ 3.56Å; D475-R568 IonicContact OD1-NE 3.78Å; D475-R568 PolarHBondContact OD1-NE 2.79Å; D475-R568 IonicContact OD1-NH2 2.85Å; D475-R568 PolarHBondContact OD1-NH2 2.88Å; G477-R568 WeakPolarHBondContact CA-O 3.47Å; I564-R568 HydrophobicContact CD1-CG 4.26Å; R568-D570 PolarHBondContact O-N 3.18Å | ||
| 569 | G | 91.9 | Very high | 93.3 | Very high | 92 Ų | 92 | 63.6 Ų | 63.6 | 95% | 0.948 | 35% | 0.345 | S | S | * | . | S | Bend | trans | -70.4 | -14 | -174.5 | 0 | 0 | 0 | 0 | 0 | 115.3 | ||
| 570 | D | 91 | Very high | 92.9 | Very high | 93 Ų | 93 | 66.1 Ų | 66.1 | 50% | 0.497 | 36% | 0.361 | S | S | . | . | S | Bend | trans | -136.9 | 156 | 172.7 | -157.6 | -5.6 | 0 | 0 | 0 | 108.9 | R568 R577 | R568-D570 PolarHBondContact O-N 3.18Å; D570-R577 IonicContact OD1-CZ 3.69Å; D570-R577 IonicContact OD1-NH2 2.74Å; D570-R577 PolarHBondContact OD1-NH2 2.8Å; D570-R577 IonicContact OD2-CZ 3.26Å; D570-R577 IonicContact OD2-NH1 2.72Å; D570-R577 IonicContact OD2-NH2 2.63Å; D570-R577 PolarHBondContact OD2-NH2 3.2Å |
| 571 | I | 92.2 | Very high | 92.6 | Very high | 24 Ų | 24 | 67.6 Ų | 67.6 | 12% | 0.123 | 37% | 0.369 | C | S | . | . | trans | -77.6 | 161.5 | 173.7 | 63.5 | 176.2 | 0 | 0 | 0 | 110.2 | L379 F444 Y446 A575 R577 | L379-I571 HydrophobicContact CD1-CB 4.12Å; L379-I571 HydrophobicContact CD1-CD1 4.49Å; L379-I571 HydrophobicContact CD1-CG2 3.88Å; F444-I571 HydrophobicContact CE2-CG2 4.1Å; F444-I571 HydrophobicContact CZ-CG2 4.21Å; Y446-I571 HydrophobicContact CE2-CD1 4.43Å; Y446-I571 VanDerWaalsContact OH-CD1 3.3Å; Y446-I571 WeakPolarHBondContact OH-CD1 3.36Å; I571-A575 HydrophobicContact CB-CB 4.4Å; I571-A575 HydrophobicContact CD1-CB 3.97Å; I571-A575 HydrophobicContact CG1-CB 4.29Å; I571-R577 HydrophobicContact CD1-CG 4.34Å | ||
| 572 | S | 87.2 | Confident | 92.3 | Very high | 24 Ų | 24 | 70.9 Ų | 70.9 | 17% | 0.168 | 38% | 0.382 | C | S | . | . | trans | -52.1 | 143 | 176.6 | 179.7 | 0 | 0 | 0 | 0 | 112.6 | H361 F574 A575 | H361-S572 WeakPolarHBondContact O-CB 3.26Å; S572-F574 PolarHBondContact O-N 2.83Å; S572-F574 VanDerWaalsContact O-N 3.16Å; S572-F574 PolarHBondContact OG-N 3.18Å; S572-A575 VanDerWaalsContact O-CB 3.3Å; S572-A575 WeakPolarHBondContact O-CB 3.39Å; S572-A575 PolarHBondContact O-N 3.12Å | ||
| 573 | E | 86.5 | Confident | 92.1 | Very high | 151 Ų | 151 | 63.8 Ų | 63.8 | 71% | 0.706 | 35% | 0.349 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60.3 | -22.1 | 172 | 66.8 | 178.8 | 124.4 | 0 | 0 | 113.1 | ||
| 574 | F | 90.4 | Very high | 91.7 | Very high | 64 Ų | 64 | 64.6 Ų | 64.6 | 28% | 0.281 | 35% | 0.348 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -84.9 | -13.4 | 176.2 | -56.2 | -63.9 | 0 | 0 | 0 | 112.9 | P358 H361 S572 T623 | P358-F574 VanDerWaalsContact O-CE2 3.29Å; P358-F574 WeakPolarHBondContact O-CE2 3.38Å; H361-F574 PolarHBondContact NE2-O 2.91Å; S572-F574 PolarHBondContact O-N 2.83Å; S572-F574 VanDerWaalsContact O-N 3.16Å; S572-F574 PolarHBondContact OG-N 3.18Å; F574-T623 WeakPolarHBondContact O-CG2 3.41Å |
| 575 | A | 91.5 | Very high | 91.3 | Very high | 0 Ų | 0 | 67 Ų | 67 | 0% | 0 | 36% | 0.364 | C | S | . | . | S | Bend | trans | -76.5 | 143.2 | 177 | 0 | 0 | 0 | 0 | 0 | 111 | H361 L379 I571 S572 R577 | H361-A575 HydrophobicContact CB-CB 4.3Å; H361-A575 WeakPolarHBondContact NE2-CA 3.35Å; L379-A575 HydrophobicContact CB-CB 4.43Å; L379-A575 HydrophobicContact CD1-CB 4.06Å; I571-A575 HydrophobicContact CB-CB 4.4Å; I571-A575 HydrophobicContact CD1-CB 3.97Å; I571-A575 HydrophobicContact CG1-CB 4.29Å; S572-A575 VanDerWaalsContact O-CB 3.3Å; S572-A575 WeakPolarHBondContact O-CB 3.39Å; S572-A575 PolarHBondContact O-N 3.12Å; A575-R577 PolarHBondContact O-N 2.87Å |
| 576 | P | 89.8 | Confident | 90.9 | Very high | 21 Ų | 21 | 66.3 Ų | 66.3 | 14% | 0.136 | 36% | 0.361 | C | S | . | . | P | Polyproline II helix | trans | -64.2 | 127 | 173.6 | 26 | -31.5 | 0 | 0 | 0 | 109.6 | L379 Y446 A621 A622 T623 | L379-P576 WeakPolarHBondContact O-CD 3.34Å; Y446-P576 HydrophobicContact CE1-CG 4.35Å; Y446-P576 WeakPolarHBondContact CE1-O 3.47Å; Y446-P576 VanDerWaalsContact CZ-O 3.3Å; Y446-P576 PolarHBondContact OH-O 2.97Å; P576-A621 HydrophobicContact CB-CB 4.38Å; P576-A622 CarbonylContact C-O 3.56Å; P576-T623 HydrophobicContact CB-CG2 4.42Å |
| 577 | R | 90.8 | Very high | 90.6 | Very high | 103 Ų | 103 | 66.3 Ų | 66.3 | 39% | 0.389 | 35% | 0.352 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.2 | 128.1 | 170.3 | -70.2 | -176.1 | 176.1 | -128.1 | -8.1 | 109.2 | D570 I571 A575 A621 A622 | D570-R577 IonicContact OD1-CZ 3.69Å; D570-R577 IonicContact OD1-NH2 2.74Å; D570-R577 PolarHBondContact OD1-NH2 2.8Å; D570-R577 IonicContact OD2-CZ 3.26Å; D570-R577 IonicContact OD2-NH1 2.72Å; D570-R577 IonicContact OD2-NH2 2.63Å; D570-R577 PolarHBondContact OD2-NH2 3.2Å; I571-R577 HydrophobicContact CD1-CG 4.34Å; A575-R577 PolarHBondContact O-N 2.87Å; R577-A621 WeakPolarHBondContact O-CA 3.45Å; R577-A622 PolarHBondContact N-O 2.77Å; R577-A622 PolarHBondContact O-N 3.11Å; R577-A622 VanDerWaalsContact O-N 3.08Å |
| 578 | I | 89.9 | Confident | 90.2 | Very high | 35 Ų | 35 | 65.3 Ų | 65.3 | 18% | 0.179 | 34% | 0.344 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.4 | 115.1 | 176.9 | -61.6 | 172.4 | 0 | 0 | 0 | 108.6 | P445 Y446 K619 A621 | P445-I578 HydrophobicContact CB-CD1 4.44Å; P445-I578 HydrophobicContact CG-CD1 4.16Å; P445-I578 WeakPolarHBondContact O-CD1 3.06Å; Y446-I578 HydrophobicContact CD1-CD1 3.8Å; Y446-I578 HydrophobicContact CD2-CD1 4.34Å; Y446-I578 HydrophobicContact CE1-CD1 3.51Å; Y446-I578 HydrophobicContact CE1-CG1 3.78Å; Y446-I578 HydrophobicContact CE2-CD1 4.09Å; Y446-I578 HydrophobicContact CG-CD1 4.21Å; Y446-I578 PolarHBondContact OH-N 3.16Å; I578-K619 HydrophobicContact CG2-CB 3.99Å; I578-K619 HydrophobicContact CG2-CG 4.3Å; I578-A621 HydrophobicContact CG1-CB 4.03Å |
| 579 | H | 89.5 | Confident | 89.9 | Confident | 62 Ų | 62 | 66.4 Ų | 66.4 | 29% | 0.287 | 35% | 0.352 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.1 | 129.2 | 170.7 | -64.3 | -91.2 | 0 | 0 | 0 | 109.3 | K619 I620 A628 I632 | H579-K619 CarbonylContact O-C 3.59Å; H579-K619 WeakPolarHBondContact O-CA 3.19Å; H579-I620 HydrophobicContact CB-CB 4.5Å; H579-I620 PolarHBondContact N-O 3.38Å; H579-I620 PolarHBondContact O-N 3.35Å; H579-A628 VanDerWaalsContact CD2-CB 3.4Å; H579-A628 WeakPolarHBondContact CD2-CB 3.36Å; H579-I632 HydrophobicContact CB-CD1 3.81Å |
| 580 | T | 89.1 | Confident | 89.8 | Confident | 83 Ų | 83 | 64.6 Ų | 64.6 | 51% | 0.509 | 32% | 0.321 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.4 | 125.6 | 178 | -54.7 | 0 | 0 | 0 | 0 | 110.1 | T617 V618 | T580-T617 HydrophobicContact CG2-CG2 3.46Å; T580-T617 VanDerWaalsContact CG2-CG2 3.46Å; T580-V618 WeakPolarHBondContact CA-O 3.43Å |
| 581 | I | 92.3 | Very high | 89.8 | Confident | 31 Ų | 31 | 60.1 Ų | 60.1 | 16% | 0.159 | 30% | 0.297 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.1 | 155.2 | 170.7 | 65.6 | 178.1 | 0 | 0 | 0 | 109.5 | I583 V618 I620 I632 I635 | I581-I583 HydrophobicContact CD1-CG2 4.48Å; I581-V618 HydrophobicContact CD1-CB 4.43Å; I581-V618 HydrophobicContact CG1-CB 3.78Å; I581-V618 HydrophobicContact CG1-CG1 4.43Å; I581-V618 HydrophobicContact CG1-CG2 4.45Å; I581-V618 PolarHBondContact N-O 3.37Å; I581-V618 PolarHBondContact O-N 3.39Å; I581-I620 HydrophobicContact CD1-CD1 3.96Å; I581-I620 HydrophobicContact CG1-CD1 3.89Å; I581-I632 HydrophobicContact CD1-CG2 4.38Å; I581-I632 HydrophobicContact CG2-CG1 4.33Å; I581-I632 HydrophobicContact CG2-CG2 4.13Å; I581-I635 HydrophobicContact CD1-CB 4.05Å; I581-I635 HydrophobicContact CD1-CD1 4.36Å; I581-I635 HydrophobicContact CD1-CG2 3.74Å |
| 582 | K | 91.8 | Very high | 89.8 | Confident | 137 Ų | 137 | 62.2 Ų | 62.2 | 60% | 0.596 | 31% | 0.308 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -109.1 | 126.9 | 175.5 | -160.4 | 90.1 | -178.9 | -179.2 | 0 | 108.6 | D615 T617 | K582-D615 WeakPolarHBondContact CE-O 3.36Å; K582-D615 VanDerWaalsContact NZ-CG 3.28Å; K582-D615 PolarHBondContact NZ-O 2.61Å; K582-D615 IonicContact NZ-OD1 3.75Å; K582-D615 IonicContact NZ-OD2 2.92Å; K582-D615 PolarHBondContact NZ-OD2 3.34Å; K582-T617 PolarHBondContact NZ-OG1 3.05Å |
| 583 | I | 91.4 | Very high | 89.9 | Confident | 12 Ų | 12 | 61.8 Ų | 61.8 | 6% | 0.062 | 31% | 0.307 | C | S | . | . | trans | -114.2 | 161.6 | 172.4 | 67.5 | 170.8 | 0 | 0 | 0 | 109.6 | I581 P585 I588 V591 G616 V618 I635 T639 | I581-I583 HydrophobicContact CD1-CG2 4.48Å; I583-P585 WeakPolarHBondContact O-CD 3.49Å; I583-I588 HydrophobicContact CD1-CG1 4.15Å; I583-V591 HydrophobicContact CD1-CG2 3.73Å; I583-G616 WeakPolarHBondContact CG1-O 3.31Å; I583-G616 PolarHBondContact N-O 2.81Å; I583-G616 WeakPolarHBondContact O-CA 3.4Å; I583-V618 HydrophobicContact CD1-CG2 3.78Å; I583-V618 HydrophobicContact CG1-CG2 3.84Å; I583-V618 HydrophobicContact CG2-CG2 4.12Å; I583-I635 HydrophobicContact CG2-CG2 3.97Å; I583-T639 HydrophobicContact CB-CG2 3.97Å; I583-T639 HydrophobicContact CD1-CG2 3.92Å; I583-T639 HydrophobicContact CG2-CG2 3.87Å | ||
| 584 | N | 87.8 | Confident | 90 | Very high | 60 Ų | 60 | 64.1 Ų | 64.1 | 32% | 0.321 | 32% | 0.315 | S | S | . | . | trans | -61.1 | 126.3 | 171.7 | -176.2 | -24.9 | 0 | 0 | 0 | 109.5 | D586 K587 E641 | N584-D586 PolarHBondContact O-N 3Å; N584-D586 VanDerWaalsContact O-N 3.12Å; N584-D586 PolarHBondContact OD1-N 3.04Å; N584-D586 VanDerWaalsContact OD1-N 3.1Å; N584-K587 HydrophobicContact CB-CB 4.44Å; N584-K587 HydrophobicContact CB-CG 3.97Å; N584-K587 WeakPolarHBondContact O-CA 3.24Å; N584-K587 VanDerWaalsContact O-CB 3.28Å; N584-K587 WeakPolarHBondContact O-CB 3.31Å; N584-K587 PolarHBondContact O-N 3.33Å; N584-E641 PolarHBondContact ND2-OE1 3.47Å; N584-E641 VanDerWaalsContact ND2-OE1 3.15Å | ||
| 585 | P | 89.5 | Confident | 89.8 | Confident | 68 Ų | 68 | 64.3 Ų | 64.3 | 44% | 0.442 | 34% | 0.335 | S | S | . | . | G | 310 helix | trans | -53.4 | -33.4 | -179.6 | -28.4 | 35.5 | 0 | 0 | 0 | 114 | I583 K587 I588 | I583-P585 WeakPolarHBondContact O-CD 3.49Å; P585-K587 PolarHBondContact O-N 3.14Å; P585-I588 HydrophobicContact CB-CD1 4.27Å; P585-I588 WeakPolarHBondContact O-CB 3.38Å; P585-I588 WeakPolarHBondContact O-CD1 3.33Å; P585-I588 WeakPolarHBondContact O-CG1 3.37Å; P585-I588 PolarHBondContact O-N 3.07Å; P585-I588 VanDerWaalsContact O-N 3.17Å |
| 586 | D | 87.5 | Confident | 89.7 | Confident | 120 Ų | 120 | 64.7 Ų | 64.7 | 64% | 0.642 | 34% | 0.339 | S | S | * | . | G | 310 helix | trans | -64.4 | -15.5 | 177.1 | -70.9 | -27.8 | 0 | 0 | 0 | 113.4 | N584 K589 | N584-D586 PolarHBondContact O-N 3Å; N584-D586 VanDerWaalsContact O-N 3.12Å; N584-D586 PolarHBondContact OD1-N 3.04Å; N584-D586 VanDerWaalsContact OD1-N 3.1Å; D586-K589 WeakPolarHBondContact O-CE 3.27Å |
| 587 | K | 88 | Confident | 89.8 | Confident | 47 Ų | 47 | 66.8 Ų | 66.8 | 20% | 0.204 | 35% | 0.354 | C | S | . | . | G | 310 helix | trans | -100.1 | -5.7 | -178.5 | -60.2 | -59.6 | -171.6 | -175.9 | 0 | 114.3 | N584 P585 K589 D590 V591 T639 | N584-K587 HydrophobicContact CB-CB 4.44Å; N584-K587 HydrophobicContact CB-CG 3.97Å; N584-K587 WeakPolarHBondContact O-CA 3.24Å; N584-K587 VanDerWaalsContact O-CB 3.28Å; N584-K587 WeakPolarHBondContact O-CB 3.31Å; N584-K587 PolarHBondContact O-N 3.33Å; P585-K587 PolarHBondContact O-N 3.14Å; K587-K589 PolarHBondContact O-N 3.02Å; K587-D590 WeakPolarHBondContact CD-OD2 3.47Å; K587-D590 IonicContact NZ-OD2 3.38Å; K587-D590 PolarHBondContact NZ-OD2 2.84Å; K587-D590 WeakPolarHBondContact O-CB 3.07Å; K587-D590 PolarHBondContact O-N 2.65Å; K587-V591 PolarHBondContact O-N 3.02Å; K587-T639 HydrophobicContact CB-CG2 3.99Å |
| 588 | I | 90.2 | Very high | 89.8 | Confident | 21 Ų | 21 | 64.2 Ų | 64.2 | 11% | 0.108 | 35% | 0.35 | C | S | . | . | H | α-helix | trans | -51.9 | -43.8 | 173.8 | -69.1 | 168.1 | 0 | 0 | 0 | 110.7 | I583 P585 D590 V591 I592 I612 E613 D614 | I583-I588 HydrophobicContact CD1-CG1 4.15Å; P585-I588 HydrophobicContact CB-CD1 4.27Å; P585-I588 WeakPolarHBondContact O-CB 3.38Å; P585-I588 WeakPolarHBondContact O-CD1 3.33Å; P585-I588 WeakPolarHBondContact O-CG1 3.37Å; P585-I588 PolarHBondContact O-N 3.07Å; P585-I588 VanDerWaalsContact O-N 3.17Å; I588-D590 VanDerWaalsContact C-N 3.25Å; I588-D590 PolarHBondContact O-N 3.3Å; I588-V591 PolarHBondContact O-N 2.96Å; I588-I592 HydrophobicContact CG2-CD1 3.54Å; I588-I592 HydrophobicContact CG2-CG1 4.19Å; I588-I592 WeakPolarHBondContact O-CG1 3.43Å; I588-I592 PolarHBondContact O-N 2.94Å; I588-I612 HydrophobicContact CB-CG2 4.38Å; I588-I612 HydrophobicContact CD1-CG2 4.45Å; I588-I612 HydrophobicContact CG1-CG2 3.94Å; I588-I612 HydrophobicContact CG2-CG2 3.8Å; I588-E613 WeakPolarHBondContact CD1-O 3.27Å; I588-D614 WeakPolarHBondContact CD1-O 3.27Å |
| 589 | K | 89.7 | Confident | 89.9 | Confident | 146 Ų | 146 | 63.8 Ų | 63.8 | 64% | 0.635 | 35% | 0.347 | S | S | * | . | H | α-helix | trans | -60.8 | -31.5 | 178.2 | 72.4 | -172.7 | 178.8 | -171.1 | 0 | 113.8 | D586 K587 G593 | D586-K589 WeakPolarHBondContact O-CE 3.27Å; K587-K589 PolarHBondContact O-N 3.02Å; K589-G593 WeakPolarHBondContact O-CA 3.32Å; K589-G593 PolarHBondContact O-N 3.38Å |
| 590 | D | 90 | Very high | 90 | Very high | 54 Ų | 54 | 68.9 Ų | 68.9 | 29% | 0.289 | 36% | 0.364 | S | S | . | . | H | α-helix | trans | -74.2 | -38.1 | -179 | -63.7 | -11.6 | 0 | 0 | 0 | 109.2 | K587 I588 I638 | K587-D590 WeakPolarHBondContact CD-OD2 3.47Å; K587-D590 IonicContact NZ-OD2 3.38Å; K587-D590 PolarHBondContact NZ-OD2 2.84Å; K587-D590 WeakPolarHBondContact O-CB 3.07Å; K587-D590 PolarHBondContact O-N 2.65Å; I588-D590 VanDerWaalsContact C-N 3.25Å; I588-D590 PolarHBondContact O-N 3.3Å; D590-I638 HydrophobicContact CB-CG2 3.95Å |
| 591 | V | 90.8 | Very high | 90.1 | Very high | 0 Ų | 0 | 67.5 Ų | 67.5 | 0% | 0 | 36% | 0.361 | C | S | . | . | H | α-helix | trans | -72.8 | -40.7 | 176.1 | -174.6 | 0 | 0 | 0 | 0 | 112.2 | I583 K587 I588 V598 I599 I612 I635 I638 T639 | I583-V591 HydrophobicContact CD1-CG2 3.73Å; K587-V591 PolarHBondContact O-N 3.02Å; I588-V591 PolarHBondContact O-N 2.96Å; V591-V598 WeakPolarHBondContact O-CB 3.37Å; V591-V598 WeakPolarHBondContact O-CG1 3.04Å; V591-I599 PolarHBondContact O-N 2.89Å; V591-I612 HydrophobicContact CB-CD1 3.99Å; V591-I612 HydrophobicContact CG1-CD1 3.57Å; V591-I635 HydrophobicContact CG1-CG1 4.25Å; V591-I635 HydrophobicContact CG1-CG2 4.34Å; V591-I635 HydrophobicContact CG2-CG2 4.11Å; V591-I638 HydrophobicContact CG2-CG2 3.99Å; V591-T639 HydrophobicContact CG2-CG2 3.41Å; V591-T639 VanDerWaalsContact CG2-CG2 3.41Å |
| 592 | I | 91.4 | Very high | 90.1 | Very high | 68 Ų | 68 | 66.3 Ų | 66.3 | 35% | 0.349 | 36% | 0.355 | S | S | . | . | H | α-helix | trans | -66.7 | -45.4 | 175.2 | -64.5 | 174.1 | 0 | 0 | 0 | 109.9 | I588 G596 S597 V598 I599 I612 | I588-I592 HydrophobicContact CG2-CD1 3.54Å; I588-I592 HydrophobicContact CG2-CG1 4.19Å; I588-I592 WeakPolarHBondContact O-CG1 3.43Å; I588-I592 PolarHBondContact O-N 2.94Å; I592-G596 CarbonylContact O-C 3.51Å; I592-G596 WeakPolarHBondContact O-CA 3.28Å; I592-S597 PolarHBondContact O-N 3.46Å; I592-V598 PolarHBondContact O-N 2.94Å; I592-I599 HydrophobicContact CG2-CG2 4.49Å; I592-I599 PolarHBondContact O-N 2.95Å; I592-I612 HydrophobicContact CG1-CD1 3.91Å |
| 593 | G | 89 | Confident | 90.1 | Very high | 15 Ų | 15 | 61.3 Ų | 61.3 | 16% | 0.155 | 34% | 0.336 | C | S | . | . | trans | 73.7 | 167 | -174.2 | 0 | 0 | 0 | 0 | 0 | 113.4 | K589 G595 G596 | K589-G593 WeakPolarHBondContact O-CA 3.32Å; K589-G593 PolarHBondContact O-N 3.38Å; G593-G595 PolarHBondContact O-N 3.46Å; G593-G596 PolarHBondContact O-N 2.88Å | ||
| 594 | K | 89.5 | Confident | 90.1 | Very high | 199 Ų | 199 | 68.7 Ų | 68.7 | 87% | 0.865 | 37% | 0.37 | S | S | * | . | G | 310 helix | trans | -61.6 | 113.4 | -178.8 | -174.2 | 179.8 | 179.9 | -179 | 0 | 110.7 | G596 S597 | K594-G596 VanDerWaalsContact C-N 3.27Å; K594-G596 PolarHBondContact O-N 3.03Å; K594-S597 PolarHBondContact O-OG 3.26Å |
| 595 | G | 87.3 | Confident | 90.3 | Very high | 68 Ų | 68 | 71.3 Ų | 71.3 | 70% | 0.701 | 38% | 0.38 | S | S | * | . | G | 310 helix | trans | 70.3 | 19.6 | -177.9 | 0 | 0 | 0 | 0 | 0 | 114.4 | G593 | G593-G595 PolarHBondContact O-N 3.46Š|
| 596 | G | 88.3 | Confident | 90.3 | Very high | 9 Ų | 9 | 68.3 Ų | 68.3 | 9% | 0.093 | 36% | 0.361 | C | S | . | . | G | 310 helix | trans | 80 | 15.6 | -178.4 | 0 | 0 | 0 | 0 | 0 | 114.4 | I592 G593 K594 I599 R600 | I592-G596 CarbonylContact O-C 3.51Å; I592-G596 WeakPolarHBondContact O-CA 3.28Å; G593-G596 PolarHBondContact O-N 2.88Å; K594-G596 VanDerWaalsContact C-N 3.27Å; K594-G596 PolarHBondContact O-N 3.03Å; G596-I599 WeakPolarHBondContact O-CG2 3.27Å; G596-R600 VanDerWaalsContact O-CB 3.28Å; G596-R600 WeakPolarHBondContact O-CB 3.48Å; G596-R600 WeakPolarHBondContact O-CD 3.23Å; G596-R600 WeakPolarHBondContact O-CG 3.43Å; G596-R600 PolarHBondContact O-N 2.86Å; G596-R600 VanDerWaalsContact O-N 3.07Å |
| 597 | S | 91.3 | Very high | 90.4 | Very high | 64 Ų | 64 | 65.2 Ų | 65.2 | 45% | 0.448 | 36% | 0.357 | S | S | . | . | H | α-helix | trans | -63.7 | -41.2 | -174.4 | 55.9 | 0 | 0 | 0 | 0 | 113.7 | I592 K594 A601 | I592-S597 PolarHBondContact O-N 3.46Å; K594-S597 PolarHBondContact O-OG 3.26Å; S597-A601 WeakPolarHBondContact O-CB 3.48Å; S597-A601 PolarHBondContact O-N 3.25Å |
| 598 | V | 91.2 | Very high | 90.6 | Very high | 50 Ų | 50 | 63.2 Ų | 63.2 | 30% | 0.303 | 35% | 0.349 | S | S | . | . | H | α-helix | trans | -72.3 | -49 | -176.3 | 176.3 | 0 | 0 | 0 | 0 | 110.2 | V591 I592 R600 A601 L602 I638 | V591-V598 WeakPolarHBondContact O-CB 3.37Å; V591-V598 WeakPolarHBondContact O-CG1 3.04Å; I592-V598 PolarHBondContact O-N 2.94Å; V598-R600 VanDerWaalsContact C-N 3.32Å; V598-R600 PolarHBondContact O-N 3.02Å; V598-A601 PolarHBondContact O-N 3.11Å; V598-L602 WeakPolarHBondContact O-CB 3.48Å; V598-L602 PolarHBondContact O-N 3.41Å; V598-I638 HydrophobicContact CG1-CD1 3.69Å |
| 599 | I | 92.1 | Very high | 90.6 | Very high | 25 Ų | 25 | 64.4 Ų | 64.4 | 13% | 0.128 | 36% | 0.357 | C | S | . | . | H | α-helix | trans | -62.7 | -38.9 | 178.4 | -167.1 | 171.2 | 0 | 0 | 0 | 111.7 | V591 I592 G596 L602 T603 I610 I612 | V591-I599 PolarHBondContact O-N 2.89Å; I592-I599 HydrophobicContact CG2-CG2 4.49Å; I592-I599 PolarHBondContact O-N 2.95Å; G596-I599 WeakPolarHBondContact O-CG2 3.27Å; I599-L602 PolarHBondContact O-N 2.62Å; I599-T603 HydrophobicContact CG1-CG2 4.32Å; I599-T603 WeakPolarHBondContact O-CB 3.1Å; I599-T603 VanDerWaalsContact O-CG2 3.24Å; I599-T603 WeakPolarHBondContact O-CG2 3.32Å; I599-T603 PolarHBondContact O-N 2.75Å; I599-T603 PolarHBondContact O-OG1 2.99Å; I599-T603 VanDerWaalsContact O-OG1 3.06Å; I599-I610 HydrophobicContact CD1-CB 4.24Å; I599-I610 HydrophobicContact CD1-CG2 4.07Å; I599-I610 HydrophobicContact CG1-CB 4.26Å; I599-I610 HydrophobicContact CG1-CG2 4.34Å; I599-I612 HydrophobicContact CD1-CD1 3.81Å; I599-I612 HydrophobicContact CD1-CG1 4.27Å |
| 600 | R | 91.7 | Very high | 90.7 | Very high | 170 Ų | 170 | 57.4 Ų | 57.4 | 64% | 0.642 | 33% | 0.327 | S | S | * | . | H | α-helix | trans | -62.8 | -50 | 175.9 | -75.5 | 172.9 | -174 | 177.9 | 3.2 | 111.8 | G596 V598 L602 T603 E604 | G596-R600 VanDerWaalsContact O-CB 3.28Å; G596-R600 WeakPolarHBondContact O-CB 3.48Å; G596-R600 WeakPolarHBondContact O-CD 3.23Å; G596-R600 WeakPolarHBondContact O-CG 3.43Å; G596-R600 PolarHBondContact O-N 2.86Å; G596-R600 VanDerWaalsContact O-N 3.07Å; V598-R600 VanDerWaalsContact C-N 3.32Å; V598-R600 PolarHBondContact O-N 3.02Å; R600-L602 VanDerWaalsContact C-N 3.27Å; R600-L602 PolarHBondContact O-N 3.07Å; R600-T603 WeakPolarHBondContact CA-OG1 3.34Å; R600-T603 PolarHBondContact O-N 3.45Å; R600-T603 PolarHBondContact O-OG1 2.85Å; R600-E604 WeakPolarHBondContact O-CB 3.37Å; R600-E604 PolarHBondContact O-N 3.48Å |
| 601 | A | 91.6 | Very high | 90.7 | Very high | 53 Ų | 53 | 56.3 Ų | 56.3 | 44% | 0.438 | 32% | 0.32 | S | S | . | . | H | α-helix | trans | -58.7 | -42.2 | 177.5 | 0 | 0 | 0 | 0 | 0 | 111.2 | S597 V598 E604 E605 | S597-A601 WeakPolarHBondContact O-CB 3.48Å; S597-A601 PolarHBondContact O-N 3.25Å; V598-A601 PolarHBondContact O-N 3.11Å; A601-E604 PolarHBondContact O-N 3.31Å; A601-E605 WeakPolarHBondContact O-CB 3.06Å; A601-E605 PolarHBondContact O-N 3.42Å |
| 602 | L | 91.8 | Very high | 90.7 | Very high | 6 Ų | 6 | 58 Ų | 58 | 3% | 0.031 | 33% | 0.328 | C | S | . | . | H | α-helix | trans | -65.4 | -43.9 | 177.8 | -176.5 | 63.2 | 0 | 0 | 0 | 112.3 | V598 I599 R600 E604 T606 I610 R634 I635 | V598-L602 WeakPolarHBondContact O-CB 3.48Å; V598-L602 PolarHBondContact O-N 3.41Å; I599-L602 PolarHBondContact O-N 2.62Å; R600-L602 VanDerWaalsContact C-N 3.27Å; R600-L602 PolarHBondContact O-N 3.07Å; L602-E604 VanDerWaalsContact C-N 3.32Å; L602-E604 PolarHBondContact O-N 3.19Å; L602-T606 HydrophobicContact CD1-CG2 3.87Å; L602-T606 WeakPolarHBondContact O-CB 3.36Å; L602-T606 WeakPolarHBondContact O-CG2 3.32Å; L602-T606 PolarHBondContact O-N 2.95Å; L602-T606 PolarHBondContact O-OG1 3.45Å; L602-I610 HydrophobicContact CB-CD1 4.32Å; L602-I610 HydrophobicContact CD2-CD1 3.35Å; L602-I610 HydrophobicContact CG-CD1 3.59Å; L602-R634 HydrophobicContact CD1-CB 3.51Å; L602-R634 HydrophobicContact CD1-CG 3.91Å; L602-I635 HydrophobicContact CD2-CD1 4.01Å; L602-I635 HydrophobicContact CD2-CG1 3.54Å |
| 603 | T | 91.9 | Very high | 90.7 | Very high | 33 Ų | 33 | 58.5 Ų | 58.5 | 20% | 0.202 | 33% | 0.33 | C | S | . | . | H | α-helix | trans | -65.7 | -35.7 | 176.5 | 54.6 | 0 | 0 | 0 | 0 | 112 | I599 R600 G607 T608 I610 | I599-T603 HydrophobicContact CG1-CG2 4.32Å; I599-T603 WeakPolarHBondContact O-CB 3.1Å; I599-T603 VanDerWaalsContact O-CG2 3.24Å; I599-T603 WeakPolarHBondContact O-CG2 3.32Å; I599-T603 PolarHBondContact O-N 2.75Å; I599-T603 PolarHBondContact O-OG1 2.99Å; I599-T603 VanDerWaalsContact O-OG1 3.06Å; R600-T603 WeakPolarHBondContact CA-OG1 3.34Å; R600-T603 PolarHBondContact O-N 3.45Å; R600-T603 PolarHBondContact O-OG1 2.85Å; T603-G607 WeakPolarHBondContact O-CA 3.01Å; T603-G607 PolarHBondContact O-N 3.23Å; T603-T608 WeakPolarHBondContact CB-O 3.45Å; T603-T608 WeakPolarHBondContact CG2-O 3.49Å; T603-T608 PolarHBondContact O-N 3.32Å; T603-I610 HydrophobicContact CG2-CB 4.06Å; T603-I610 HydrophobicContact CG2-CD1 4Å; T603-I610 HydrophobicContact CG2-CG1 3.93Å |
| 604 | E | 92 | Very high | 90.7 | Very high | 167 Ų | 167 | 65.1 Ų | 65.1 | 78% | 0.78 | 36% | 0.361 | S | S | * | . | H | α-helix | trans | -72.3 | -44.8 | 177.5 | -173.9 | 175.3 | -174 | 0 | 0 | 111.7 | R600 A601 L602 | R600-E604 WeakPolarHBondContact O-CB 3.37Å; R600-E604 PolarHBondContact O-N 3.48Å; A601-E604 PolarHBondContact O-N 3.31Å; L602-E604 VanDerWaalsContact C-N 3.32Å; L602-E604 PolarHBondContact O-N 3.19Å |
| 605 | E | 91.7 | Very high | 90.9 | Very high | 114 Ų | 114 | 59.5 Ų | 59.5 | 53% | 0.533 | 34% | 0.341 | S | S | . | . | H | α-helix | trans | -62.7 | -45.6 | 177.7 | 176.5 | 179.4 | -167.3 | 0 | 0 | 111.9 | A601 H630 | A601-E605 WeakPolarHBondContact O-CB 3.06Å; A601-E605 PolarHBondContact O-N 3.42Å; E605-H630 IonicContact OE1-CE1 2.74Å; E605-H630 IonicContact OE1-NE2 3.83Å; E605-H630 PolarHBondContact OE1-NE2 3.36Å |
| 606 | T | 90.3 | Very high | 90.9 | Very high | 6 Ų | 6 | 56.2 Ų | 56.2 | 4% | 0.037 | 31% | 0.307 | C | S | . | . | H | α-helix | trans | -94 | -15 | -173.2 | 64.1 | 0 | 0 | 0 | 0 | 113 | L602 T608 K627 H630 A631 | L602-T606 HydrophobicContact CD1-CG2 3.87Å; L602-T606 WeakPolarHBondContact O-CB 3.36Å; L602-T606 WeakPolarHBondContact O-CG2 3.32Å; L602-T606 PolarHBondContact O-N 2.95Å; L602-T606 PolarHBondContact O-OG1 3.45Å; T606-T608 PolarHBondContact O-N 3.43Å; T606-T608 PolarHBondContact OG1-OG1 2.94Å; T606-K627 WeakPolarHBondContact O-CB 3.37Å; T606-K627 VanDerWaalsContact O-CD 3.31Å; T606-K627 WeakPolarHBondContact O-CD 3.45Å; T606-K627 WeakPolarHBondContact O-CG 3.2Å; T606-H630 HydrophobicContact CG2-CB 4.28Å; T606-A631 HydrophobicContact CG2-CB 3.98Å |
| 607 | G | 88.6 | Confident | 91.1 | Very high | 55 Ų | 55 | 56.8 Ų | 56.8 | 57% | 0.567 | 31% | 0.309 | S | S | * | . | trans | 61.5 | 27.2 | -173.3 | 0 | 0 | 0 | 0 | 0 | 113.3 | T603 | T603-G607 WeakPolarHBondContact O-CA 3.01Å; T603-G607 PolarHBondContact O-N 3.23Å | ||
| 608 | T | 91.7 | Very high | 91.1 | Very high | 5 Ų | 5 | 53.8 Ų | 53.8 | 3% | 0.031 | 29% | 0.288 | C | S | . | . | trans | -103.6 | 156.4 | 180 | 64.4 | 0 | 0 | 0 | 0 | 111.5 | T603 T606 I620 A621 A622 K627 A631 | T603-T608 WeakPolarHBondContact CB-O 3.45Å; T603-T608 WeakPolarHBondContact CG2-O 3.49Å; T603-T608 PolarHBondContact O-N 3.32Å; T606-T608 PolarHBondContact O-N 3.43Å; T606-T608 PolarHBondContact OG1-OG1 2.94Å; T608-I620 HydrophobicContact CG2-CG2 4.16Å; T608-A621 WeakPolarHBondContact CA-O 3.39Å; T608-A622 HydrophobicContact CG2-CB 3.73Å; T608-K627 HydrophobicContact CG2-CB 4.02Å; T608-A631 HydrophobicContact CG2-CB 4.12Å | ||
| 609 | T | 91.1 | Very high | 91.2 | Very high | 45 Ų | 45 | 53.8 Ų | 53.8 | 28% | 0.276 | 28% | 0.284 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.8 | 121.6 | 167.5 | -62.3 | 0 | 0 | 0 | 0 | 108.6 | T381 E611 I620 A621 | T381-T609 HydrophobicContact CG2-CG2 4.18Å; T609-E611 HydrophobicContact CG2-CG 4.44Å; T609-I620 WeakPolarHBondContact O-CA 3.34Å; T609-A621 PolarHBondContact N-O 3.05Å; T609-A621 PolarHBondContact O-N 2.91Å |
| 610 | I | 92 | Very high | 91.2 | Very high | 0 Ų | 0 | 52.6 Ų | 52.6 | 0% | 0 | 28% | 0.278 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.7 | 124.7 | -178.7 | -56.2 | 175.4 | 0 | 0 | 0 | 109 | R383 I599 L602 T603 I612 V618 K619 I620 A631 I635 | R383-I610 PolarHBondContact NH2-O 3.11Å; I599-I610 HydrophobicContact CD1-CB 4.24Å; I599-I610 HydrophobicContact CD1-CG2 4.07Å; I599-I610 HydrophobicContact CG1-CB 4.26Å; I599-I610 HydrophobicContact CG1-CG2 4.34Å; L602-I610 HydrophobicContact CB-CD1 4.32Å; L602-I610 HydrophobicContact CD2-CD1 3.35Å; L602-I610 HydrophobicContact CG-CD1 3.59Å; T603-I610 HydrophobicContact CG2-CB 4.06Å; T603-I610 HydrophobicContact CG2-CD1 4Å; T603-I610 HydrophobicContact CG2-CG1 3.93Å; I610-I612 HydrophobicContact CG2-CG1 4.19Å; I610-V618 HydrophobicContact CG2-CG1 3.8Å; I610-K619 WeakPolarHBondContact CA-O 3.29Å; I610-I620 HydrophobicContact CG1-CG1 4.37Å; I610-I620 HydrophobicContact CG1-CG2 4.46Å; I610-A631 HydrophobicContact CD1-CB 4.4Å; I610-I635 HydrophobicContact CD1-CD1 4.21Å; I610-I635 HydrophobicContact CG2-CD1 4.28Å |
| 611 | E | 89.8 | Confident | 91.2 | Very high | 30 Ų | 30 | 44.9 Ų | 44.9 | 14% | 0.14 | 25% | 0.25 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.8 | 132.8 | 176.3 | -65.8 | 169.1 | -170.8 | 0 | 0 | 108 | T381 A382 R383 T609 V618 K619 | T381-E611 WeakPolarHBondContact CB-OE1 3.31Å; T381-E611 PolarHBondContact OG1-OE1 3.25Å; A382-E611 VanDerWaalsContact CB-OE2 3.26Å; A382-E611 WeakPolarHBondContact CB-OE2 3.24Å; A382-E611 PolarHBondContact N-OE1 3.02Å; R383-E611 PolarHBondContact N-OE1 3.06Å; T609-E611 HydrophobicContact CG2-CG 4.44Å; E611-V618 CarbonylContact O-C 3.22Å; E611-V618 WeakPolarHBondContact O-CA 3.21Å; E611-K619 HydrophobicContact CB-CB 4.36Å; E611-K619 PolarHBondContact N-O 3.39Å; E611-K619 PolarHBondContact O-N 2.67Å |
| 612 | I | 91 | Very high | 91 | Very high | 35 Ų | 35 | 42.7 Ų | 42.7 | 18% | 0.179 | 23% | 0.232 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.6 | 124 | -177 | -53.1 | 173.6 | 0 | 0 | 0 | 107.5 | I588 V591 I592 I599 I610 V618 | I588-I612 HydrophobicContact CB-CG2 4.38Å; I588-I612 HydrophobicContact CD1-CG2 4.45Å; I588-I612 HydrophobicContact CG1-CG2 3.94Å; I588-I612 HydrophobicContact CG2-CG2 3.8Å; V591-I612 HydrophobicContact CB-CD1 3.99Å; V591-I612 HydrophobicContact CG1-CD1 3.57Å; I592-I612 HydrophobicContact CG1-CD1 3.91Å; I599-I612 HydrophobicContact CD1-CD1 3.81Å; I599-I612 HydrophobicContact CD1-CG1 4.27Å; I610-I612 HydrophobicContact CG2-CG1 4.19Å; I612-V618 HydrophobicContact CG1-CG1 4.08Å; I612-V618 HydrophobicContact CG1-CG2 4.19Å; I612-V618 HydrophobicContact CG2-CG2 4.15Å |
| 613 | E | 90.1 | Very high | 90.7 | Very high | 80 Ų | 80 | 46.7 Ų | 46.7 | 37% | 0.374 | 26% | 0.257 | S | S | . | . | trans | -91.9 | 156.2 | 175.8 | -51.3 | -70.2 | 179.2 | 0 | 0 | 110.2 | I588 D615 G616 T617 K619 | I588-E613 WeakPolarHBondContact CD1-O 3.27Å; E613-D615 WeakPolarHBondContact CB-OD1 3.37Å; E613-D615 PolarHBondContact O-N 2.81Å; E613-D615 VanDerWaalsContact O-N 3.14Å; E613-G616 PolarHBondContact O-N 2.76Å; E613-G616 VanDerWaalsContact O-N 3.07Å; E613-T617 HydrophobicContact CG-CG2 4.49Å; E613-T617 PolarHBondContact N-O 2.9Å; E613-K619 IonicContact OE1-NZ 3.17Å; E613-K619 PolarHBondContact OE1-NZ 2.88Å | ||
| 614 | D | 90.7 | Very high | 90.4 | Very high | 153 Ų | 153 | 48.4 Ų | 48.4 | 82% | 0.818 | 27% | 0.265 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -63.3 | -21.2 | -177.6 | -69.9 | -27.6 | 0 | 0 | 0 | 113.8 | I588 G616 | I588-D614 WeakPolarHBondContact CD1-O 3.27Å; D614-G616 PolarHBondContact O-N 2.99Å |
| 615 | D | 91.8 | Very high | 89.8 | Confident | 81 Ų | 81 | 42 Ų | 42 | 43% | 0.433 | 24% | 0.244 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -85.3 | 7.1 | 178.4 | 81.7 | -22.5 | 0 | 0 | 0 | 113.5 | K582 E613 T617 | K582-D615 WeakPolarHBondContact CE-O 3.36Å; K582-D615 VanDerWaalsContact NZ-CG 3.28Å; K582-D615 PolarHBondContact NZ-O 2.61Å; K582-D615 IonicContact NZ-OD1 3.75Å; K582-D615 IonicContact NZ-OD2 2.92Å; K582-D615 PolarHBondContact NZ-OD2 3.34Å; E613-D615 WeakPolarHBondContact CB-OD1 3.37Å; E613-D615 PolarHBondContact O-N 2.81Å; E613-D615 VanDerWaalsContact O-N 3.14Å; D615-T617 VanDerWaalsContact C-N 3.34Å; D615-T617 WeakPolarHBondContact OD1-CB 3.41Å; D615-T617 PolarHBondContact OD1-N 3.01Å; D615-T617 PolarHBondContact OD1-OG1 3.39Å; D615-T617 PolarHBondContact OD2-OG1 2.76Å; D615-T617 VanDerWaalsContact OD2-OG1 3.07Å |
| 616 | G | 88.3 | Confident | 89.6 | Confident | 0 Ų | 0 | 42.3 Ų | 42.3 | 0% | 0 | 25% | 0.245 | C | C | . | . | S | Bend | trans | 83.3 | 6.6 | -178.6 | 0 | 0 | 0 | 0 | 0 | 114.1 | I583 E613 D614 V618 | I583-G616 WeakPolarHBondContact CG1-O 3.31Å; I583-G616 PolarHBondContact N-O 2.81Å; I583-G616 WeakPolarHBondContact O-CA 3.4Å; E613-G616 PolarHBondContact O-N 2.76Å; E613-G616 VanDerWaalsContact O-N 3.07Å; D614-G616 PolarHBondContact O-N 2.99Å; G616-V618 PolarHBondContact O-N 3.37Å |
| 617 | T | 92.2 | Very high | 89.6 | Confident | 21 Ų | 21 | 46.5 Ų | 46.5 | 13% | 0.129 | 26% | 0.263 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -73.1 | 125 | 172.1 | -54.3 | 0 | 0 | 0 | 0 | 109.8 | T580 K582 E613 D615 | T580-T617 HydrophobicContact CG2-CG2 3.46Å; T580-T617 VanDerWaalsContact CG2-CG2 3.46Å; K582-T617 PolarHBondContact NZ-OG1 3.05Å; E613-T617 HydrophobicContact CG-CG2 4.49Å; E613-T617 PolarHBondContact N-O 2.9Å; D615-T617 VanDerWaalsContact C-N 3.34Å; D615-T617 WeakPolarHBondContact OD1-CB 3.41Å; D615-T617 PolarHBondContact OD1-N 3.01Å; D615-T617 PolarHBondContact OD1-OG1 3.39Å; D615-T617 PolarHBondContact OD2-OG1 2.76Å; D615-T617 VanDerWaalsContact OD2-OG1 3.07Å |
| 618 | V | 92.3 | Very high | 89.6 | Confident | 0 Ų | 0 | 43.9 Ų | 43.9 | 0% | 0 | 24% | 0.236 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.3 | 122 | 176.8 | -174.4 | 0 | 0 | 0 | 0 | 109.2 | T580 I581 I583 I610 E611 I612 G616 I620 I635 | T580-V618 WeakPolarHBondContact CA-O 3.43Å; I581-V618 HydrophobicContact CD1-CB 4.43Å; I581-V618 HydrophobicContact CG1-CB 3.78Å; I581-V618 HydrophobicContact CG1-CG1 4.43Å; I581-V618 HydrophobicContact CG1-CG2 4.45Å; I581-V618 PolarHBondContact N-O 3.37Å; I581-V618 PolarHBondContact O-N 3.39Å; I583-V618 HydrophobicContact CD1-CG2 3.78Å; I583-V618 HydrophobicContact CG1-CG2 3.84Å; I583-V618 HydrophobicContact CG2-CG2 4.12Å; I610-V618 HydrophobicContact CG2-CG1 3.8Å; E611-V618 CarbonylContact O-C 3.22Å; E611-V618 WeakPolarHBondContact O-CA 3.21Å; I612-V618 HydrophobicContact CG1-CG1 4.08Å; I612-V618 HydrophobicContact CG1-CG2 4.19Å; I612-V618 HydrophobicContact CG2-CG2 4.15Å; G616-V618 PolarHBondContact O-N 3.37Å; V618-I620 HydrophobicContact CB-CD1 4.38Å; V618-I620 HydrophobicContact CG1-CD1 3.77Å; V618-I620 HydrophobicContact CG1-CG1 4.22Å; V618-I635 HydrophobicContact CG1-CD1 3.9Å |
| 619 | K | 91.7 | Very high | 89.5 | Confident | 50 Ų | 50 | 49.4 Ų | 49.4 | 22% | 0.217 | 26% | 0.26 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.4 | 120.7 | 176.3 | -63.8 | 169.5 | -174.1 | 154.1 | 0 | 108.9 | I578 H579 I610 E611 E613 | I578-K619 HydrophobicContact CG2-CB 3.99Å; I578-K619 HydrophobicContact CG2-CG 4.3Å; H579-K619 CarbonylContact O-C 3.59Å; H579-K619 WeakPolarHBondContact O-CA 3.19Å; I610-K619 WeakPolarHBondContact CA-O 3.29Å; E611-K619 HydrophobicContact CB-CB 4.36Å; E611-K619 PolarHBondContact N-O 3.39Å; E611-K619 PolarHBondContact O-N 2.67Å; E613-K619 IonicContact OE1-NZ 3.17Å; E613-K619 PolarHBondContact OE1-NZ 2.88Å |
| 620 | I | 92.2 | Very high | 89.5 | Confident | 0 Ų | 0 | 51.3 Ų | 51.3 | 0% | 0 | 27% | 0.265 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113 | 112 | 178.7 | -57.2 | 92.5 | 0 | 0 | 0 | 108.2 | H579 I581 T608 T609 I610 V618 A628 A631 I632 I635 | H579-I620 HydrophobicContact CB-CB 4.5Å; H579-I620 PolarHBondContact N-O 3.38Å; H579-I620 PolarHBondContact O-N 3.35Å; I581-I620 HydrophobicContact CD1-CD1 3.96Å; I581-I620 HydrophobicContact CG1-CD1 3.89Å; T608-I620 HydrophobicContact CG2-CG2 4.16Å; T609-I620 WeakPolarHBondContact O-CA 3.34Å; I610-I620 HydrophobicContact CG1-CG1 4.37Å; I610-I620 HydrophobicContact CG1-CG2 4.46Å; V618-I620 HydrophobicContact CB-CD1 4.38Å; V618-I620 HydrophobicContact CG1-CD1 3.77Å; V618-I620 HydrophobicContact CG1-CG1 4.22Å; I620-A628 HydrophobicContact CG2-CB 4.46Å; I620-A631 HydrophobicContact CG2-CB 3.79Å; I620-I632 HydrophobicContact CD1-CG1 3.98Å; I620-I632 HydrophobicContact CG1-CG1 4.41Å; I620-I635 HydrophobicContact CD1-CD1 4.1Å; I620-I635 HydrophobicContact CG1-CD1 3.92Å |
| 621 | A | 91.5 | Very high | 89.5 | Confident | 8 Ų | 8 | 51.3 Ų | 51.3 | 7% | 0.066 | 27% | 0.265 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.6 | 127.8 | 178.4 | 0 | 0 | 0 | 0 | 0 | 111.3 | T381 P576 R577 I578 T608 T609 | T381-A621 HydrophobicContact CG2-CB 3.51Å; P576-A621 HydrophobicContact CB-CB 4.38Å; R577-A621 WeakPolarHBondContact O-CA 3.45Å; I578-A621 HydrophobicContact CG1-CB 4.03Å; T608-A621 WeakPolarHBondContact CA-O 3.39Å; T609-A621 PolarHBondContact N-O 3.05Å; T609-A621 PolarHBondContact O-N 2.91Å |
| 622 | A | 88.6 | Confident | 89.6 | Confident | 7 Ų | 7 | 51.2 Ų | 51.2 | 6% | 0.058 | 27% | 0.265 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -151.2 | 147.4 | 174.3 | 0 | 0 | 0 | 0 | 0 | 111.3 | P576 R577 T608 D624 K627 A628 | P576-A622 CarbonylContact C-O 3.56Å; R577-A622 PolarHBondContact N-O 2.77Å; R577-A622 PolarHBondContact O-N 3.11Å; R577-A622 VanDerWaalsContact O-N 3.08Å; T608-A622 HydrophobicContact CG2-CB 3.73Å; A622-D624 WeakPolarHBondContact CB-O 3.44Å; A622-K627 HydrophobicContact CB-CB 4.36Å; A622-A628 HydrophobicContact CB-CB 3.98Å |
| 623 | T | 84.7 | Confident | 89.5 | Confident | 90 Ų | 90 | 57.2 Ų | 57.2 | 55% | 0.552 | 29% | 0.286 | S | S | * | . | S | Bend | trans | -78.8 | -25 | 170.1 | 50.1 | 0 | 0 | 0 | 0 | 112.3 | F574 P576 | F574-T623 WeakPolarHBondContact O-CG2 3.41Å; P576-T623 HydrophobicContact CB-CG2 4.42Å |
| 624 | D | 85.3 | Confident | 89.6 | Confident | 70 Ų | 70 | 57.7 Ų | 57.7 | 37% | 0.374 | 28% | 0.284 | S | S | . | . | S | Bend | trans | -104.8 | 120.3 | 177.3 | 179.5 | -8.8 | 0 | 0 | 0 | 110.1 | A622 E626 K627 A628 | A622-D624 WeakPolarHBondContact CB-O 3.44Å; D624-E626 VanDerWaalsContact C-N 3.27Å; D624-E626 PolarHBondContact O-N 2.99Å; D624-E626 PolarHBondContact OD1-N 2.88Å; D624-K627 HydrophobicContact CB-CB 4.29Å; D624-K627 HydrophobicContact CB-CD 3.91Å; D624-K627 HydrophobicContact CB-CG 3.96Å; D624-K627 WeakPolarHBondContact O-CB 3.37Å; D624-K627 PolarHBondContact O-N 3.16Å; D624-A628 PolarHBondContact O-N 3.04Å |
| 625 | G | 81.1 | Confident | 89.6 | Confident | 33 Ų | 33 | 50.4 Ų | 50.4 | 34% | 0.34 | 25% | 0.245 | S | C | . | . | H | α-helix | trans | -62.6 | -29.4 | -178.3 | 0 | 0 | 0 | 0 | 0 | 114.1 | A628 K629 | G625-A628 PolarHBondContact O-N 3.34Å; G625-K629 WeakPolarHBondContact O-CG 3.44Å; G625-K629 PolarHBondContact O-N 3.45Å |
| 626 | E | 87.5 | Confident | 89.5 | Confident | 119 Ų | 119 | 51.6 Ų | 51.6 | 56% | 0.556 | 25% | 0.248 | S | C | * | . | H | α-helix | trans | -71.7 | -34.7 | 178 | -68.5 | -57.3 | 122.3 | 0 | 0 | 111.5 | D624 K629 H630 | D624-E626 VanDerWaalsContact C-N 3.27Å; D624-E626 PolarHBondContact O-N 2.99Å; D624-E626 PolarHBondContact OD1-N 2.88Å; E626-K629 PolarHBondContact O-N 2.85Å; E626-K629 IonicContact OE1-NZ 2.86Å; E626-K629 PolarHBondContact OE1-NZ 3.42Å; E626-H630 WeakPolarHBondContact O-CB 3.25Å; E626-H630 PolarHBondContact O-N 3.36Å |
| 627 | K | 90.2 | Very high | 89.4 | Confident | 94 Ų | 94 | 54.3 Ų | 54.3 | 41% | 0.409 | 26% | 0.261 | S | S | . | . | H | α-helix | trans | -64 | -43 | 173.1 | -67.2 | -177 | -175.1 | -175.7 | 0 | 111.7 | T606 T608 A622 D624 H630 A631 | T606-K627 WeakPolarHBondContact O-CB 3.37Å; T606-K627 VanDerWaalsContact O-CD 3.31Å; T606-K627 WeakPolarHBondContact O-CD 3.45Å; T606-K627 WeakPolarHBondContact O-CG 3.2Å; T608-K627 HydrophobicContact CG2-CB 4.02Å; A622-K627 HydrophobicContact CB-CB 4.36Å; D624-K627 HydrophobicContact CB-CB 4.29Å; D624-K627 HydrophobicContact CB-CD 3.91Å; D624-K627 HydrophobicContact CB-CG 3.96Å; D624-K627 WeakPolarHBondContact O-CB 3.37Å; D624-K627 PolarHBondContact O-N 3.16Å; K627-H630 PolarHBondContact O-N 3.01Å; K627-A631 PolarHBondContact O-N 3.37Å |
| 628 | A | 88.5 | Confident | 89.1 | Confident | 0 Ų | 0 | 54.8 Ų | 54.8 | 0% | 0 | 26% | 0.262 | C | S | . | . | H | α-helix | trans | -62.3 | -46.9 | 175.3 | 0 | 0 | 0 | 0 | 0 | 111.9 | H579 I620 A622 D624 G625 H630 A631 I632 | H579-A628 VanDerWaalsContact CD2-CB 3.4Å; H579-A628 WeakPolarHBondContact CD2-CB 3.36Å; I620-A628 HydrophobicContact CG2-CB 4.46Å; A622-A628 HydrophobicContact CB-CB 3.98Å; D624-A628 PolarHBondContact O-N 3.04Å; G625-A628 PolarHBondContact O-N 3.34Å; A628-H630 VanDerWaalsContact C-N 3.31Å; A628-H630 PolarHBondContact O-N 2.83Å; A628-A631 PolarHBondContact O-N 3.34Å; A628-I632 VanDerWaalsContact O-CG1 3.28Å; A628-I632 WeakPolarHBondContact O-CG1 3.34Å; A628-I632 PolarHBondContact O-N 3.08Å |
| 629 | K | 89.7 | Confident | 88.7 | Confident | 122 Ų | 122 | 55.7 Ų | 55.7 | 53% | 0.53 | 27% | 0.268 | S | S | . | . | H | α-helix | trans | -59.7 | -40.7 | 176.3 | -72.1 | 174.1 | -168.9 | 167.7 | 0 | 112.3 | G625 E626 I632 R633 | G625-K629 WeakPolarHBondContact O-CG 3.44Å; G625-K629 PolarHBondContact O-N 3.45Å; E626-K629 PolarHBondContact O-N 2.85Å; E626-K629 IonicContact OE1-NZ 2.86Å; E626-K629 PolarHBondContact OE1-NZ 3.42Å; K629-I632 PolarHBondContact O-N 3.24Å; K629-R633 WeakPolarHBondContact O-CB 3.15Å; K629-R633 PolarHBondContact O-N 2.98Å |
| 630 | H | 90.9 | Very high | 88.1 | Confident | 85 Ų | 85 | 55.7 Ų | 55.7 | 39% | 0.394 | 28% | 0.277 | S | S | . | . | H | α-helix | trans | -59 | -51.3 | 174.7 | -167 | 136.9 | 0 | 0 | 0 | 110.4 | E605 T606 E626 K627 A628 I632 R633 R634 | E605-H630 IonicContact OE1-CE1 2.74Å; E605-H630 IonicContact OE1-NE2 3.83Å; E605-H630 PolarHBondContact OE1-NE2 3.36Å; T606-H630 HydrophobicContact CG2-CB 4.28Å; E626-H630 WeakPolarHBondContact O-CB 3.25Å; E626-H630 PolarHBondContact O-N 3.36Å; K627-H630 PolarHBondContact O-N 3.01Å; A628-H630 VanDerWaalsContact C-N 3.31Å; A628-H630 PolarHBondContact O-N 2.83Å; H630-I632 PolarHBondContact O-N 3.35Å; H630-R633 PolarHBondContact O-N 3.3Å; H630-R634 WeakPolarHBondContact O-CG 2.87Å; H630-R634 PolarHBondContact O-N 3.16Å |
| 631 | A | 91 | Very high | 87.1 | Confident | 0 Ų | 0 | 61.6 Ų | 61.6 | 0% | 0 | 30% | 0.304 | C | S | . | . | H | α-helix | trans | -59 | -46.1 | 178.9 | 0 | 0 | 0 | 0 | 0 | 112.3 | T606 T608 I610 I620 K627 A628 R633 R634 I635 | T606-A631 HydrophobicContact CG2-CB 3.98Å; T608-A631 HydrophobicContact CG2-CB 4.12Å; I610-A631 HydrophobicContact CD1-CB 4.4Å; I620-A631 HydrophobicContact CG2-CB 3.79Å; K627-A631 PolarHBondContact O-N 3.37Å; A628-A631 PolarHBondContact O-N 3.34Å; A631-R633 PolarHBondContact O-N 2.95Å; A631-R634 PolarHBondContact O-N 2.79Å; A631-I635 VanDerWaalsContact O-CG1 3.28Å; A631-I635 WeakPolarHBondContact O-CG1 3.34Å; A631-I635 PolarHBondContact O-N 3.42Å |
| 632 | I | 91.7 | Very high | 86 | Confident | 27 Ų | 27 | 62.7 Ų | 62.7 | 14% | 0.138 | 31% | 0.309 | C | S | . | . | H | α-helix | trans | -56.8 | -52 | 176.9 | -69.3 | 162.9 | 0 | 0 | 0 | 110.7 | H579 I581 I620 A628 K629 H630 R634 I635 E636 | H579-I632 HydrophobicContact CB-CD1 3.81Å; I581-I632 HydrophobicContact CD1-CG2 4.38Å; I581-I632 HydrophobicContact CG2-CG1 4.33Å; I581-I632 HydrophobicContact CG2-CG2 4.13Å; I620-I632 HydrophobicContact CD1-CG1 3.98Å; I620-I632 HydrophobicContact CG1-CG1 4.41Å; A628-I632 VanDerWaalsContact O-CG1 3.28Å; A628-I632 WeakPolarHBondContact O-CG1 3.34Å; A628-I632 PolarHBondContact O-N 3.08Å; K629-I632 PolarHBondContact O-N 3.24Å; H630-I632 PolarHBondContact O-N 3.35Å; I632-R634 VanDerWaalsContact C-N 3.28Å; I632-R634 PolarHBondContact O-N 3.36Å; I632-I635 PolarHBondContact O-N 2.87Å; I632-I635 VanDerWaalsContact O-N 3.08Å; I632-E636 HydrophobicContact CG2-CG 4.31Å; I632-E636 WeakPolarHBondContact O-CG 3.45Å; I632-E636 PolarHBondContact O-N 2.64Å |
| 633 | R | 90.4 | Very high | 85.2 | Confident | 161 Ų | 161 | 67.3 Ų | 67.3 | 61% | 0.608 | 33% | 0.329 | S | S | * | . | H | α-helix | trans | -56.1 | -42.9 | 179.4 | 177.3 | -177.2 | 167.4 | 176.7 | 1.5 | 111.9 | K629 H630 A631 E636 E637 | K629-R633 WeakPolarHBondContact O-CB 3.15Å; K629-R633 PolarHBondContact O-N 2.98Å; H630-R633 PolarHBondContact O-N 3.3Å; A631-R633 PolarHBondContact O-N 2.95Å; R633-E636 PolarHBondContact O-N 2.91Å; R633-E637 IonicContact CZ-OE1 3.77Å; R633-E637 IonicContact NE-OE1 3.48Å; R633-E637 PolarHBondContact NE-OE1 2.9Å; R633-E637 IonicContact NH2-OE1 3.35Å; R633-E637 PolarHBondContact NH2-OE1 3.47Å; R633-E637 WeakPolarHBondContact O-CB 3.48Å; R633-E637 VanDerWaalsContact O-CG 3.27Å; R633-E637 WeakPolarHBondContact O-CG 3.43Å; R633-E637 PolarHBondContact O-N 3.45Å |
| 634 | R | 91.3 | Very high | 84.7 | Confident | 90 Ų | 90 | 67.3 Ų | 67.3 | 34% | 0.34 | 33% | 0.329 | S | S | . | . | H | α-helix | trans | -66.5 | -39.1 | 178.9 | -66.9 | -66.3 | -69.1 | 143.2 | -0.9 | 111.8 | L602 H630 A631 I632 E637 I638 | L602-R634 HydrophobicContact CD1-CB 3.51Å; L602-R634 HydrophobicContact CD1-CG 3.91Å; H630-R634 WeakPolarHBondContact O-CG 2.87Å; H630-R634 PolarHBondContact O-N 3.16Å; A631-R634 PolarHBondContact O-N 2.79Å; I632-R634 VanDerWaalsContact C-N 3.28Å; I632-R634 PolarHBondContact O-N 3.36Å; R634-E637 IonicContact CZ-OE2 3.38Å; R634-E637 IonicContact NH1-OE2 3.54Å; R634-E637 PolarHBondContact NH1-OE2 3.5Å; R634-E637 PolarHBondContact O-N 2.99Å; R634-I638 WeakPolarHBondContact O-CD1 3.49Å; R634-I638 WeakPolarHBondContact O-CG1 3.34Å; R634-I638 PolarHBondContact O-N 3.43Å |
| 635 | I | 91.4 | Very high | 84.5 | Confident | 0 Ų | 0 | 65.4 Ų | 65.4 | 0% | 0 | 33% | 0.326 | C | S | . | . | H | α-helix | trans | -65.7 | -42.8 | 175.7 | -63.6 | 168.3 | 0 | 0 | 0 | 110.4 | I581 I583 V591 L602 I610 V618 I620 A631 I632 E637 I638 T639 | I581-I635 HydrophobicContact CD1-CB 4.05Å; I581-I635 HydrophobicContact CD1-CD1 4.36Å; I581-I635 HydrophobicContact CD1-CG2 3.74Å; I583-I635 HydrophobicContact CG2-CG2 3.97Å; V591-I635 HydrophobicContact CG1-CG1 4.25Å; V591-I635 HydrophobicContact CG1-CG2 4.34Å; V591-I635 HydrophobicContact CG2-CG2 4.11Å; L602-I635 HydrophobicContact CD2-CD1 4.01Å; L602-I635 HydrophobicContact CD2-CG1 3.54Å; I610-I635 HydrophobicContact CD1-CD1 4.21Å; I610-I635 HydrophobicContact CG2-CD1 4.28Å; V618-I635 HydrophobicContact CG1-CD1 3.9Å; I620-I635 HydrophobicContact CD1-CD1 4.1Å; I620-I635 HydrophobicContact CG1-CD1 3.92Å; A631-I635 VanDerWaalsContact O-CG1 3.28Å; A631-I635 WeakPolarHBondContact O-CG1 3.34Å; A631-I635 PolarHBondContact O-N 3.42Å; I632-I635 PolarHBondContact O-N 2.87Å; I632-I635 VanDerWaalsContact O-N 3.08Å; I635-E637 PolarHBondContact O-N 3.25Å; I635-I638 PolarHBondContact O-N 2.82Å; I635-T639 HydrophobicContact CG2-CG2 4.29Å; I635-T639 WeakPolarHBondContact O-CB 3.14Å; I635-T639 VanDerWaalsContact O-CG2 3.32Å; I635-T639 WeakPolarHBondContact O-CG2 3.43Å; I635-T639 PolarHBondContact O-N 3.3Å; I635-T639 PolarHBondContact O-OG1 2.69Å |
| 636 | E | 90.1 | Very high | 84.5 | Confident | 106 Ų | 106 | 70 Ų | 70 | 50% | 0.495 | 33% | 0.333 | S | S | . | . | H | α-helix | trans | -61 | -42.3 | 173.6 | -70.6 | 174.7 | 165 | 0 | 0 | 111.5 | I632 R633 I638 T639 A640 | I632-E636 HydrophobicContact CG2-CG 4.31Å; I632-E636 WeakPolarHBondContact O-CG 3.45Å; I632-E636 PolarHBondContact O-N 2.64Å; R633-E636 PolarHBondContact O-N 2.91Å; E636-I638 VanDerWaalsContact C-N 3.35Å; E636-I638 PolarHBondContact O-N 3.24Å; E636-T639 PolarHBondContact O-N 3Å; E636-T639 PolarHBondContact O-OG1 2.95Å; E636-A640 WeakPolarHBondContact O-CA 3.4Å; E636-A640 VanDerWaalsContact O-CB 3.23Å; E636-A640 WeakPolarHBondContact O-CB 3.41Å; E636-A640 PolarHBondContact O-N 2.8Å |
| 637 | E | 86.2 | Confident | 84.3 | Confident | 58 Ų | 58 | 66.9 Ų | 66.9 | 27% | 0.271 | 32% | 0.322 | S | S | . | . | H | α-helix | trans | -63 | -37.5 | 175.3 | -75 | 170.5 | -175.9 | 0 | 0 | 112.8 | R633 R634 I635 G666 | R633-E637 IonicContact CZ-OE1 3.77Å; R633-E637 IonicContact NE-OE1 3.48Å; R633-E637 PolarHBondContact NE-OE1 2.9Å; R633-E637 IonicContact NH2-OE1 3.35Å; R633-E637 PolarHBondContact NH2-OE1 3.47Å; R633-E637 WeakPolarHBondContact O-CB 3.48Å; R633-E637 VanDerWaalsContact O-CG 3.27Å; R633-E637 WeakPolarHBondContact O-CG 3.43Å; R633-E637 PolarHBondContact O-N 3.45Å; R634-E637 IonicContact CZ-OE2 3.38Å; R634-E637 IonicContact NH1-OE2 3.54Å; R634-E637 PolarHBondContact NH1-OE2 3.5Å; R634-E637 PolarHBondContact O-N 2.99Å; I635-E637 PolarHBondContact O-N 3.25Å; E637-G666 VanDerWaalsContact O-CA 3.23Å; E637-G666 WeakPolarHBondContact O-CA 3.4Å |
| 638 | I | 84.8 | Confident | 84.1 | Confident | 30 Ų | 30 | 64.4 Ų | 64.4 | 15% | 0.154 | 31% | 0.31 | C | S | . | . | H | α-helix | trans | -70 | -41.1 | 176.5 | -68.4 | 160.2 | 0 | 0 | 0 | 110.8 | D590 V591 V598 R634 I635 E636 | D590-I638 HydrophobicContact CB-CG2 3.95Å; V591-I638 HydrophobicContact CG2-CG2 3.99Å; V598-I638 HydrophobicContact CG1-CD1 3.69Å; R634-I638 WeakPolarHBondContact O-CD1 3.49Å; R634-I638 WeakPolarHBondContact O-CG1 3.34Å; R634-I638 PolarHBondContact O-N 3.43Å; I635-I638 PolarHBondContact O-N 2.82Å; E636-I638 VanDerWaalsContact C-N 3.35Å; E636-I638 PolarHBondContact O-N 3.24Å |
| 639 | T | 83.8 | Confident | 84 | Confident | 19 Ų | 19 | 69.2 Ų | 69.2 | 12% | 0.117 | 34% | 0.34 | C | S | . | . | H | α-helix | trans | -90.2 | -12.8 | -173.6 | 57.6 | 0 | 0 | 0 | 0 | 113.8 | I583 K587 V591 I635 E636 E641 | I583-T639 HydrophobicContact CB-CG2 3.97Å; I583-T639 HydrophobicContact CD1-CG2 3.92Å; I583-T639 HydrophobicContact CG2-CG2 3.87Å; K587-T639 HydrophobicContact CB-CG2 3.99Å; V591-T639 HydrophobicContact CG2-CG2 3.41Å; V591-T639 VanDerWaalsContact CG2-CG2 3.41Å; I635-T639 HydrophobicContact CG2-CG2 4.29Å; I635-T639 WeakPolarHBondContact O-CB 3.14Å; I635-T639 VanDerWaalsContact O-CG2 3.32Å; I635-T639 WeakPolarHBondContact O-CG2 3.43Å; I635-T639 PolarHBondContact O-N 3.3Å; I635-T639 PolarHBondContact O-OG1 2.69Å; E636-T639 PolarHBondContact O-N 3Å; E636-T639 PolarHBondContact O-OG1 2.95Å; T639-E641 PolarHBondContact O-N 2.96Å |
| 640 | A | 78.7 | Confident | 83.9 | Confident | 50 Ų | 50 | 63.4 Ų | 63.4 | 41% | 0.413 | 32% | 0.315 | S | S | . | . | trans | -46.5 | 120.9 | -179.3 | 0 | 0 | 0 | 0 | 0 | 111.4 | E636 K668 | E636-A640 WeakPolarHBondContact O-CA 3.4Å; E636-A640 VanDerWaalsContact O-CB 3.23Å; E636-A640 WeakPolarHBondContact O-CB 3.41Å; E636-A640 PolarHBondContact O-N 2.8Å; A640-K668 PolarHBondContact O-NZ 2.87Å | ||
| 641 | E | 70.7 | Confident | 83.9 | Confident | 124 Ų | 124 | 64.6 Ų | 64.6 | 58% | 0.579 | 32% | 0.319 | S | S | * | . | trans | -73.3 | 143.5 | 176.9 | -64.8 | -167.1 | 164.7 | 0 | 0 | 110.4 | N584 T639 | N584-E641 PolarHBondContact ND2-OE1 3.47Å; N584-E641 VanDerWaalsContact ND2-OE1 3.15Å; T639-E641 PolarHBondContact O-N 2.96Å | ||
| 642 | I | 69.8 | Low | 83.8 | Confident | 31 Ų | 31 | 64.7 Ų | 64.7 | 16% | 0.159 | 32% | 0.32 | C | S | . | . | trans | -87.8 | 115.5 | 173.4 | -66.7 | 171.7 | 0 | 0 | 0 | 106.4 | V644 Y648 I664 K668 V699 I708 | I642-V644 PolarHBondContact O-N 3.49Å; I642-Y648 HydrophobicContact CG2-CE2 4.29Å; I642-I664 HydrophobicContact CD1-CD1 3.67Å; I642-I664 HydrophobicContact CD1-CG1 4.46Å; I642-I664 HydrophobicContact CG1-CD1 4.1Å; I642-I664 HydrophobicContact CG2-CD1 4.03Å; I642-K668 HydrophobicContact CD1-CB 3.75Å; I642-K668 HydrophobicContact CD1-CD 3.27Å; I642-K668 HydrophobicContact CD1-CG 4.11Å; I642-K668 HydrophobicContact CG1-CD 3.71Å; I642-V699 HydrophobicContact CG2-CB 4.02Å; I642-V699 HydrophobicContact CG2-CG1 3.71Å; I642-V699 HydrophobicContact CG2-CG2 3.3Å; I642-I708 HydrophobicContact CD1-CD1 3.2Å; I642-I708 HydrophobicContact CD1-CG1 3.72Å; I642-I708 HydrophobicContact CG2-CG2 4.48Å | ||
| 643 | E | 70.4 | Confident | 83.7 | Confident | 104 Ų | 104 | 66 Ų | 66 | 49% | 0.486 | 33% | 0.329 | S | S | . | . | trans | -81 | 117.2 | 179.1 | -70.4 | 172.3 | 162.6 | 0 | 0 | 109.9 | G645 R646 Y648 | E643-G645 PolarHBondContact O-N 2.82Å; E643-R646 HydrophobicContact CB-CB 3.9Å; E643-R646 WeakPolarHBondContact O-CB 3.27Å; E643-R646 PolarHBondContact O-N 2.66Å; E643-R646 VanDerWaalsContact O-N 3.13Å; E643-R646 WeakPolarHBondContact OE2-CD 3.46Å; E643-R646 IonicContact OE2-CZ 3.18Å; E643-R646 IonicContact OE2-NE 3.15Å; E643-R646 IonicContact OE2-NH1 2.62Å; E643-R646 PolarHBondContact OE2-NH1 2.93Å; E643-Y648 PolarHBondContact N-OH 3.44Å | ||
| 644 | V | 76.2 | Confident | 83.8 | Confident | 90 Ų | 90 | 64.5 Ų | 64.5 | 55% | 0.545 | 32% | 0.324 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -61.4 | 126.6 | 171.3 | 177.7 | 0 | 0 | 0 | 0 | 108.8 | I642 V699 L700 V702 | I642-V644 PolarHBondContact O-N 3.49Å; V644-V699 HydrophobicContact CG2-CG1 4.16Å; V644-L700 WeakPolarHBondContact CG1-O 3.42Å; V644-V702 HydrophobicContact CG2-CG2 4.27Å |
| 645 | G | 79.3 | Confident | 83.6 | Confident | 30 Ų | 30 | 62.2 Ų | 62.2 | 31% | 0.309 | 32% | 0.318 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 99 | -16.1 | -176.5 | 0 | 0 | 0 | 0 | 0 | 114.6 | E643 K698 V699 | E643-G645 PolarHBondContact O-N 2.82Å; G645-K698 VanDerWaalsContact O-CE 3.25Å; G645-K698 WeakPolarHBondContact O-CE 3.3Å; G645-K698 WeakPolarHBondContact O-CG 3.48Å; G645-V699 WeakPolarHBondContact CA-O 3.38Å; G645-V699 PolarHBondContact N-O 3.35Å |
| 646 | R | 82.2 | Confident | 83.6 | Confident | 129 Ų | 129 | 64 Ų | 64 | 49% | 0.487 | 33% | 0.328 | S | S | . | . | trans | -80.4 | 144 | 179 | -177.7 | 164.4 | 176.3 | 176.4 | 1.1 | 111.9 | E643 Y648 K698 V699 | E643-R646 HydrophobicContact CB-CB 3.9Å; E643-R646 WeakPolarHBondContact O-CB 3.27Å; E643-R646 PolarHBondContact O-N 2.66Å; E643-R646 VanDerWaalsContact O-N 3.13Å; E643-R646 WeakPolarHBondContact OE2-CD 3.46Å; E643-R646 IonicContact OE2-CZ 3.18Å; E643-R646 IonicContact OE2-NE 3.15Å; E643-R646 IonicContact OE2-NH1 2.62Å; E643-R646 PolarHBondContact OE2-NH1 2.93Å; R646-Y648 HydrophobicContact CB-CD2 4.45Å; R646-Y648 HydrophobicContact CB-CE2 3.75Å; R646-Y648 HydrophobicContact CG-CD2 4.28Å; R646-Y648 HydrophobicContact CG-CE2 3.77Å; R646-K698 WeakPolarHBondContact O-CA 3.33Å; R646-V699 PolarHBondContact O-N 3.19Å | ||
| 647 | V | 83.6 | Confident | 83.4 | Confident | 55 Ų | 55 | 66.5 Ų | 66.5 | 33% | 0.333 | 35% | 0.345 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.6 | 128.8 | 173.2 | -177.6 | 0 | 0 | 0 | 0 | 109.7 | P696 V697 K698 A715 | V647-P696 HydrophobicContact CG1-CB 4.01Å; V647-V697 CarbonylContact C-O 3.57Å; V647-V697 WeakPolarHBondContact CA-O 3.48Å; V647-K698 HydrophobicContact CG2-CB 4.08Å; V647-K698 HydrophobicContact CG2-CG 4.22Å; V647-A715 HydrophobicContact CG1-CB 3.76Å; V647-A715 HydrophobicContact CG2-CB 4.05Å |
| 648 | Y | 84.9 | Confident | 83.5 | Confident | 41 Ų | 41 | 68.8 Ų | 68.8 | 16% | 0.161 | 35% | 0.354 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119 | 148.2 | 175.6 | -64.9 | -94 | 0 | 0 | 0 | 109.6 | I642 E643 R646 I664 P696 V697 V699 | I642-Y648 HydrophobicContact CG2-CE2 4.29Å; E643-Y648 PolarHBondContact N-OH 3.44Å; R646-Y648 HydrophobicContact CB-CD2 4.45Å; R646-Y648 HydrophobicContact CB-CE2 3.75Å; R646-Y648 HydrophobicContact CG-CD2 4.28Å; R646-Y648 HydrophobicContact CG-CE2 3.77Å; Y648-I664 HydrophobicContact CG-CB 4.36Å; Y648-P696 CarbonylContact O-C 3.58Å; Y648-P696 WeakPolarHBondContact O-CA 3.48Å; Y648-V697 PolarHBondContact N-O 3.42Å; Y648-V697 VanDerWaalsContact O-CG2 3.32Å; Y648-V697 WeakPolarHBondContact O-CG2 3.34Å; Y648-V697 PolarHBondContact O-N 3.44Å; Y648-V699 HydrophobicContact CD2-CG2 3.78Å; Y648-V699 HydrophobicContact CE2-CG2 3.68Å |
| 649 | T | 86.3 | Confident | 83.8 | Confident | 101 Ų | 101 | 67.3 Ų | 67.3 | 62% | 0.62 | 35% | 0.347 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -83.5 | 114.9 | 165.6 | -54.8 | 0 | 0 | 0 | 0 | 107.9 | E694 | T649-E694 HydrophobicContact CG2-CB 4.23Å |
| 650 | G | 87.4 | Confident | 84 | Confident | 1 Ų | 1 | 66.4 Ų | 66.4 | 1% | 0.01 | 34% | 0.341 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.8 | 149 | -176.6 | 0 | 0 | 0 | 0 | 0 | 113.1 | V662 A663 E694 V695 | G650-V662 VanDerWaalsContact CA-CG1 3.48Å; G650-A663 CarbonylContact C-O 3.58Å; G650-A663 WeakPolarHBondContact CA-O 3.43Å; G650-E694 CarbonylContact O-C 3.58Å; G650-E694 WeakPolarHBondContact O-CA 3.41Å; G650-V695 PolarHBondContact N-O 2.89Å; G650-V695 PolarHBondContact O-N 2.91Å |
| 651 | K | 90.9 | Very high | 84.7 | Confident | 109 Ų | 109 | 65.9 Ų | 65.9 | 47% | 0.474 | 33% | 0.33 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.9 | 129.6 | 178.9 | -172.1 | 172.3 | -177.2 | 171 | 0 | 110.9 | T653 V662 A663 G692 Q693 E694 | K651-T653 PolarHBondContact O-N 3.47Å; K651-V662 WeakPolarHBondContact O-CA 3.36Å; K651-A663 PolarHBondContact N-O 3.38Å; K651-A663 PolarHBondContact O-N 2.87Å; K651-G692 WeakPolarHBondContact CE-O 3.4Å; K651-Q693 WeakPolarHBondContact CA-O 3.45Å; K651-E694 HydrophobicContact CB-CG 4.46Å |
| 652 | V | 89.5 | Confident | 85.6 | Confident | 3 Ų | 3 | 60 Ų | 60 | 2% | 0.018 | 30% | 0.302 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -67.6 | 115.9 | 178 | 179.7 | 0 | 0 | 0 | 0 | 110 | I655 A660 V662 L689 Q690 G692 Q693 V695 | V652-I655 HydrophobicContact CG1-CD1 4.08Å; V652-I655 HydrophobicContact CG1-CG1 3.64Å; V652-A660 HydrophobicContact CG1-CB 4.27Å; V652-V662 HydrophobicContact CG2-CG2 4.22Å; V652-L689 HydrophobicContact CG2-CB 4.44Å; V652-L689 HydrophobicContact CG2-CD2 4.21Å; V652-Q690 WeakPolarHBondContact CB-O 3.37Å; V652-G692 WeakPolarHBondContact O-CA 3.49Å; V652-G692 PolarHBondContact O-N 3Å; V652-Q693 HydrophobicContact CG2-CB 4.35Å; V652-Q693 WeakPolarHBondContact CG2-O 3.45Å; V652-Q693 PolarHBondContact N-O 2.73Å; V652-V695 HydrophobicContact CG2-CG2 4.35Å |
| 653 | T | 90.6 | Very high | 86.4 | Confident | 55 Ų | 55 | 60.1 Ų | 60.1 | 34% | 0.337 | 31% | 0.308 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.5 | -27.8 | -177.3 | 44.9 | 0 | 0 | 0 | 0 | 112.8 | K651 F661 A663 E669 M691 | K651-T653 PolarHBondContact O-N 3.47Å; T653-F661 PolarHBondContact N-O 3.35Å; T653-F661 PolarHBondContact OG1-O 2.67Å; T653-F661 VanDerWaalsContact OG1-O 3.07Å; T653-A663 HydrophobicContact CG2-CB 3.71Å; T653-E669 WeakPolarHBondContact CB-OE1 3.35Å; T653-E669 PolarHBondContact OG1-OE1 2.95Å; T653-M691 WeakPolarHBondContact O-CE 3.38Å |
| 654 | R | 91.5 | Very high | 86.9 | Confident | 129 Ų | 129 | 55.7 Ų | 55.7 | 49% | 0.487 | 29% | 0.288 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -157.3 | 135.1 | 179.2 | -169 | 172.5 | 66.5 | 172.2 | -0.6 | 111.2 | A660 F661 | R654-A660 CarbonylContact O-C 3.59Å; R654-A660 WeakPolarHBondContact O-CA 3.45Å; R654-F661 HydrophobicContact CB-CB 4.16Å; R654-F661 HydrophobicContact CB-CD2 4.22Å; R654-F661 PolarHBondContact N-O 2.95Å; R654-F661 VanDerWaalsContact NH2-CZ 3.26Å; R654-F661 PolarHBondContact O-N 2.91Å |
| 655 | I | 87.7 | Confident | 86.5 | Confident | 42 Ų | 42 | 53.8 Ų | 53.8 | 22% | 0.215 | 29% | 0.286 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.8 | 136.8 | 174.7 | -61.8 | 173.7 | 0 | 0 | 0 | 109.2 | V652 A660 V685 T686 L689 M691 | V652-I655 HydrophobicContact CG1-CD1 4.08Å; V652-I655 HydrophobicContact CG1-CG1 3.64Å; I655-A660 HydrophobicContact CG1-CB 4.34Å; I655-V685 HydrophobicContact CG2-CB 4.03Å; I655-V685 HydrophobicContact CG2-CG1 3.73Å; I655-T686 HydrophobicContact CG2-CG2 4.14Å; I655-L689 HydrophobicContact CD1-CB 4.33Å; I655-L689 VanDerWaalsContact CD1-O 3.23Å; I655-L689 WeakPolarHBondContact CD1-O 3.39Å; I655-M691 HydrophobicContact CD1-CG 4.34Å; I655-M691 HydrophobicContact CG1-SD 4.24Å |
| 656 | V | 90.8 | Very high | 85.8 | Confident | 36 Ų | 36 | 54.3 Ų | 54.3 | 22% | 0.218 | 29% | 0.292 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.8 | 162.7 | 176 | -66.7 | 0 | 0 | 0 | 0 | 109.4 | F658 G659 F661 | V656-F658 HydrophobicContact CB-CD1 4.35Å; V656-F658 HydrophobicContact CB-CE1 4.07Å; V656-F658 HydrophobicContact CB-CZ 4.36Å; V656-F658 HydrophobicContact CG2-CD1 3.98Å; V656-F658 HydrophobicContact CG2-CD2 4Å; V656-F658 HydrophobicContact CG2-CE1 3.73Å; V656-F658 HydrophobicContact CG2-CE2 3.74Å; V656-F658 HydrophobicContact CG2-CG 4.13Å; V656-F658 HydrophobicContact CG2-CZ 3.61Å; V656-F658 PolarHBondContact O-N 3.21Å; V656-F658 VanDerWaalsContact O-N 3.08Å; V656-G659 CarbonylContact C-O 3.45Å; V656-G659 VanDerWaalsContact CG2-O 3.23Å; V656-G659 WeakPolarHBondContact CG2-O 3.25Å; V656-G659 PolarHBondContact N-O 3.35Å; V656-G659 PolarHBondContact O-N 2.91Å; V656-G659 VanDerWaalsContact O-N 3.07Å; V656-F661 HydrophobicContact CG1-CE2 4.37Å; V656-F661 HydrophobicContact CG2-CE2 4.13Å |
| 657 | D | 85.1 | Confident | 85 | Confident | 160 Ų | 160 | 52.4 Ų | 52.4 | 86% | 0.856 | 31% | 0.312 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -58.5 | -31.1 | -173.4 | -61.1 | -24 | 0 | 0 | 0 | 113.6 | ||
| 658 | F | 88.7 | Confident | 84.5 | Confident | 105 Ų | 105 | 51.6 Ų | 51.6 | 46% | 0.461 | 30% | 0.304 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -94.6 | -1 | -178.6 | 61.8 | -95.6 | 0 | 0 | 0 | 114.6 | V656 L671 H673 I674 | V656-F658 HydrophobicContact CB-CD1 4.35Å; V656-F658 HydrophobicContact CB-CE1 4.07Å; V656-F658 HydrophobicContact CB-CZ 4.36Å; V656-F658 HydrophobicContact CG2-CD1 3.98Å; V656-F658 HydrophobicContact CG2-CD2 4Å; V656-F658 HydrophobicContact CG2-CE1 3.73Å; V656-F658 HydrophobicContact CG2-CE2 3.74Å; V656-F658 HydrophobicContact CG2-CG 4.13Å; V656-F658 HydrophobicContact CG2-CZ 3.61Å; V656-F658 PolarHBondContact O-N 3.21Å; V656-F658 VanDerWaalsContact O-N 3.08Å; F658-L671 HydrophobicContact CD2-CD1 4.49Å; F658-L671 HydrophobicContact CD2-CD2 4.33Å; F658-L671 HydrophobicContact CE2-CD1 3.96Å; F658-L671 HydrophobicContact CE2-CD2 3.92Å; F658-H673 PolarHBondContact O-CD2 3.27Å; F658-H673 VanDerWaalsContact O-CD2 3.23Å; F658-I674 PolarHBondContact O-N 2.9Å |
| 659 | G | 91 | Very high | 84.5 | Confident | 0 Ų | 0 | 53.8 Ų | 53.8 | 0% | 0 | 32% | 0.316 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 165 | -168.4 | -177.8 | 0 | 0 | 0 | 0 | 0 | 115.1 | V656 V672 | V656-G659 CarbonylContact C-O 3.45Å; V656-G659 VanDerWaalsContact CG2-O 3.23Å; V656-G659 WeakPolarHBondContact CG2-O 3.25Å; V656-G659 PolarHBondContact N-O 3.35Å; V656-G659 PolarHBondContact O-N 2.91Å; V656-G659 VanDerWaalsContact O-N 3.07Å; G659-V672 CarbonylContact C-O 3.47Å; G659-V672 WeakPolarHBondContact CA-O 3.49Å |
| 660 | A | 89.7 | Confident | 84.6 | Confident | 0 Ų | 0 | 49.1 Ų | 49.1 | 0% | 0 | 29% | 0.287 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.4 | 139.3 | 175.9 | 0 | 0 | 0 | 0 | 0 | 110.6 | V652 R654 I655 V672 V685 L689 | V652-A660 HydrophobicContact CG1-CB 4.27Å; R654-A660 CarbonylContact O-C 3.59Å; R654-A660 WeakPolarHBondContact O-CA 3.45Å; I655-A660 HydrophobicContact CG1-CB 4.34Å; A660-V672 PolarHBondContact N-O 3.47Å; A660-V672 PolarHBondContact O-N 2.96Å; A660-V685 HydrophobicContact CB-CG1 4.06Å; A660-L689 HydrophobicContact CB-CD1 3.52Å |
| 661 | F | 92.1 | Very high | 84.8 | Confident | 38 Ų | 38 | 51.2 Ų | 51.2 | 17% | 0.167 | 30% | 0.298 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.9 | 132.4 | 168.1 | -69.4 | -90.6 | 0 | 0 | 0 | 109.2 | T653 R654 V656 E669 G670 L671 | T653-F661 PolarHBondContact N-O 3.35Å; T653-F661 PolarHBondContact OG1-O 2.67Å; T653-F661 VanDerWaalsContact OG1-O 3.07Å; R654-F661 HydrophobicContact CB-CB 4.16Å; R654-F661 HydrophobicContact CB-CD2 4.22Å; R654-F661 PolarHBondContact N-O 2.95Å; R654-F661 VanDerWaalsContact NH2-CZ 3.26Å; R654-F661 PolarHBondContact O-N 2.91Å; V656-F661 HydrophobicContact CG1-CE2 4.37Å; V656-F661 HydrophobicContact CG2-CE2 4.13Å; F661-E669 HydrophobicContact CB-CG 3.82Å; F661-E669 WeakPolarHBondContact CB-OE1 3.32Å; F661-E669 HydrophobicContact CD1-CG 4.06Å; F661-E669 HydrophobicContact CG-CG 4.42Å; F661-G670 WeakPolarHBondContact CA-O 3.3Å; F661-L671 HydrophobicContact CD1-CD1 4.26Å; F661-L671 HydrophobicContact CD2-CD1 4.07Å; F661-L671 HydrophobicContact CE1-CB 4.36Å; F661-L671 HydrophobicContact CE1-CD1 4.03Å; F661-L671 HydrophobicContact CE2-CD1 3.82Å; F661-L671 HydrophobicContact CG-CD1 4.28Å; F661-L671 HydrophobicContact CZ-CD1 3.8Å |
| 662 | V | 89.2 | Confident | 84.8 | Confident | 0 Ų | 0 | 46 Ų | 46 | 0% | 0 | 28% | 0.275 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.1 | 123.8 | -174.6 | -176.4 | 0 | 0 | 0 | 0 | 108.8 | G650 K651 V652 I664 E669 G670 V672 V695 V697 L710 | G650-V662 VanDerWaalsContact CA-CG1 3.48Å; K651-V662 WeakPolarHBondContact O-CA 3.36Å; V652-V662 HydrophobicContact CG2-CG2 4.22Å; V662-I664 HydrophobicContact CG1-CG2 4.27Å; V662-E669 WeakPolarHBondContact O-CA 3.27Å; V662-G670 PolarHBondContact N-O 3.44Å; V662-G670 PolarHBondContact O-N 3.43Å; V662-V672 HydrophobicContact CG2-CG2 3.76Å; V662-V695 HydrophobicContact CG1-CG2 4.41Å; V662-V697 HydrophobicContact CG1-CG1 4.35Å; V662-V697 HydrophobicContact CG1-CG2 4.2Å; V662-L710 HydrophobicContact CB-CD1 3.91Å |
| 663 | A | 86.7 | Confident | 84.9 | Confident | 35 Ų | 35 | 49.9 Ų | 49.9 | 29% | 0.289 | 29% | 0.293 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -81.1 | 121.9 | 172.6 | 0 | 0 | 0 | 0 | 0 | 109.7 | G650 K651 T653 K668 | G650-A663 CarbonylContact C-O 3.58Å; G650-A663 WeakPolarHBondContact CA-O 3.43Å; K651-A663 PolarHBondContact N-O 3.38Å; K651-A663 PolarHBondContact O-N 2.87Å; T653-A663 HydrophobicContact CG2-CB 3.71Å; A663-K668 WeakPolarHBondContact CA-O 3.44Å |
| 664 | I | 81.3 | Confident | 84.7 | Confident | 11 Ų | 11 | 48.9 Ų | 48.9 | 6% | 0.056 | 29% | 0.285 | C | S | . | . | trans | -107.6 | 12.5 | -172.6 | 53.9 | 165 | 0 | 0 | 0 | 114.1 | I642 Y648 V662 K668 V697 V699 I708 L710 | I642-I664 HydrophobicContact CD1-CD1 3.67Å; I642-I664 HydrophobicContact CD1-CG1 4.46Å; I642-I664 HydrophobicContact CG1-CD1 4.1Å; I642-I664 HydrophobicContact CG2-CD1 4.03Å; Y648-I664 HydrophobicContact CG-CB 4.36Å; V662-I664 HydrophobicContact CG1-CG2 4.27Å; I664-K668 PolarHBondContact N-O 3.4Å; I664-K668 VanDerWaalsContact N-O 3.09Å; I664-V697 HydrophobicContact CG2-CG2 3.38Å; I664-V699 HydrophobicContact CD1-CG2 4.16Å; I664-I708 HydrophobicContact CD1-CG2 4.32Å; I664-L710 HydrophobicContact CD1-CD2 4.18Å; I664-L710 HydrophobicContact CG2-CD1 3.72Å; I664-L710 HydrophobicContact CG2-CD2 4.24Å | ||
| 665 | G | 68.5 | Low | 84.4 | Confident | 50 Ų | 50 | 46.1 Ų | 46.1 | 52% | 0.515 | 29% | 0.286 | S | S | . | . | S | Bend | trans | 100.9 | 163 | -175.5 | 0 | 0 | 0 | 0 | 0 | 113.2 | G667 K668 | G665-G667 PolarHBondContact O-N 2.91Å; G665-K668 PolarHBondContact O-N 3.36Å |
| 666 | G | 63.6 | Low | 84.5 | Confident | 41 Ų | 41 | 46.7 Ų | 46.7 | 42% | 0.423 | 29% | 0.287 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 64.3 | 20.1 | -179.6 | 0 | 0 | 0 | 0 | 0 | 115.3 | E637 K668 | E637-G666 VanDerWaalsContact O-CA 3.23Å; E637-G666 WeakPolarHBondContact O-CA 3.4Å; G666-K668 VanDerWaalsContact C-N 3.26Å; G666-K668 PolarHBondContact O-N 3.01Å |
| 667 | G | 65.4 | Low | 84.3 | Confident | 88 Ų | 88 | 45.3 Ų | 45.3 | 91% | 0.907 | 28% | 0.279 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 73.7 | 10.6 | -175.8 | 0 | 0 | 0 | 0 | 0 | 114.8 | G665 | G665-G667 PolarHBondContact O-N 2.91Š|
| 668 | K | 74.4 | Confident | 84.2 | Confident | 39 Ų | 39 | 38.8 Ų | 38.8 | 17% | 0.17 | 25% | 0.247 | C | C | . | . | trans | -99.8 | 137.7 | -176.4 | -62.1 | -179.8 | -174.2 | 170.1 | 0 | 111.9 | A640 I642 A663 I664 G665 G666 I708 | A640-K668 PolarHBondContact O-NZ 2.87Å; I642-K668 HydrophobicContact CD1-CB 3.75Å; I642-K668 HydrophobicContact CD1-CD 3.27Å; I642-K668 HydrophobicContact CD1-CG 4.11Å; I642-K668 HydrophobicContact CG1-CD 3.71Å; A663-K668 WeakPolarHBondContact CA-O 3.44Å; I664-K668 PolarHBondContact N-O 3.4Å; I664-K668 VanDerWaalsContact N-O 3.09Å; G665-K668 PolarHBondContact O-N 3.36Å; G666-K668 VanDerWaalsContact C-N 3.26Å; G666-K668 PolarHBondContact O-N 3.01Å; K668-I708 HydrophobicContact CB-CD1 4.06Å | ||
| 669 | E | 84 | Confident | 83.7 | Confident | 87 Ų | 87 | 38.9 Ų | 38.9 | 41% | 0.407 | 25% | 0.252 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.7 | 131 | -178.3 | -171.9 | -177.7 | -121.7 | 0 | 0 | 109.6 | T653 F661 V662 | T653-E669 WeakPolarHBondContact CB-OE1 3.35Å; T653-E669 PolarHBondContact OG1-OE1 2.95Å; F661-E669 HydrophobicContact CB-CG 3.82Å; F661-E669 WeakPolarHBondContact CB-OE1 3.32Å; F661-E669 HydrophobicContact CD1-CG 4.06Å; F661-E669 HydrophobicContact CG-CG 4.42Å; V662-E669 WeakPolarHBondContact O-CA 3.27Å |
| 670 | G | 88.6 | Confident | 83.2 | Confident | 2 Ų | 2 | 46.8 Ų | 46.8 | 2% | 0.021 | 29% | 0.287 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.3 | 160.2 | 175.1 | 0 | 0 | 0 | 0 | 0 | 112.1 | F661 V662 I708 | F661-G670 WeakPolarHBondContact CA-O 3.3Å; V662-G670 PolarHBondContact N-O 3.44Å; V662-G670 PolarHBondContact O-N 3.43Å; G670-I708 CarbonylContact C-O 3.53Å; G670-I708 VanDerWaalsContact CA-O 3.23Å; G670-I708 WeakPolarHBondContact CA-O 3.47Å |
| 671 | L | 91.5 | Very high | 82.8 | Confident | 45 Ų | 45 | 58 Ų | 58 | 24% | 0.236 | 33% | 0.329 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.3 | 121.8 | 178.2 | -177.9 | 75.2 | 0 | 0 | 0 | 110.3 | F658 F661 I708 L710 | F658-L671 HydrophobicContact CD2-CD1 4.49Å; F658-L671 HydrophobicContact CD2-CD2 4.33Å; F658-L671 HydrophobicContact CE2-CD1 3.96Å; F658-L671 HydrophobicContact CE2-CD2 3.92Å; F661-L671 HydrophobicContact CD1-CD1 4.26Å; F661-L671 HydrophobicContact CD2-CD1 4.07Å; F661-L671 HydrophobicContact CE1-CB 4.36Å; F661-L671 HydrophobicContact CE1-CD1 4.03Å; F661-L671 HydrophobicContact CE2-CD1 3.82Å; F661-L671 HydrophobicContact CG-CD1 4.28Å; F661-L671 HydrophobicContact CZ-CD1 3.8Å; L671-I708 PolarHBondContact N-O 3.12Å; L671-L710 PolarHBondContact O-N 3.31Å |
| 672 | V | 91.5 | Very high | 82.1 | Confident | 0 Ų | 0 | 56.9 Ų | 56.9 | 0% | 0 | 33% | 0.325 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.2 | 107.3 | 161.5 | -175.4 | 0 | 0 | 0 | 0 | 107.5 | G659 A660 V662 Q676 I677 V697 L710 I712 | G659-V672 CarbonylContact C-O 3.47Å; G659-V672 WeakPolarHBondContact CA-O 3.49Å; A660-V672 PolarHBondContact N-O 3.47Å; A660-V672 PolarHBondContact O-N 2.96Å; V662-V672 HydrophobicContact CG2-CG2 3.76Å; V672-Q676 HydrophobicContact CG1-CB 4.2Å; V672-I677 HydrophobicContact CG1-CG1 3.73Å; V672-V697 HydrophobicContact CG2-CG1 3.87Å; V672-L710 HydrophobicContact CG2-CB 3.54Å; V672-L710 HydrophobicContact CG2-CD1 4.39Å; V672-I712 HydrophobicContact CG1-CD1 4.06Å; V672-I712 HydrophobicContact CG1-CG1 4.04Å; V672-I712 HydrophobicContact CG2-CD1 4.39Å; V672-I712 HydrophobicContact CG2-CG1 4.2Å |
| 673 | H | 91.2 | Very high | 81.7 | Confident | 85 Ų | 85 | 64.8 Ų | 64.8 | 39% | 0.394 | 36% | 0.362 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -67 | 150.7 | 173.9 | -171.7 | -109.2 | 0 | 0 | 0 | 110.3 | F658 S675 Q676 | F658-H673 PolarHBondContact O-CD2 3.27Å; F658-H673 VanDerWaalsContact O-CD2 3.23Å; H673-S675 PolarHBondContact ND1-OG 3.42Å; H673-S675 PolarHBondContact O-N 2.96Å; H673-Q676 HydrophobicContact CB-CG 4.47Å; H673-Q676 WeakPolarHBondContact O-CA 3.3Å; H673-Q676 WeakPolarHBondContact O-CB 3.16Å; H673-Q676 PolarHBondContact O-N 3.07Å |
| 674 | I | 86.1 | Confident | 81.5 | Confident | 34 Ų | 34 | 69.2 Ų | 69.2 | 17% | 0.174 | 38% | 0.375 | C | S | . | . | G | 310 helix | trans | -52.3 | -32.2 | -177.8 | -168.7 | 167.6 | 0 | 0 | 0 | 113.3 | F658 Q676 I677 V682 V685 | F658-I674 PolarHBondContact O-N 2.9Å; I674-Q676 VanDerWaalsContact C-N 3.27Å; I674-Q676 PolarHBondContact O-N 2.98Å; I674-I677 HydrophobicContact CG1-CD1 4.43Å; I674-V682 HydrophobicContact CD1-CB 4.45Å; I674-V682 HydrophobicContact CD1-CG1 4.15Å; I674-V682 WeakPolarHBondContact CD1-O 3.34Å; I674-V682 HydrophobicContact CG1-CB 3.85Å; I674-V682 HydrophobicContact CG1-CG1 3.78Å; I674-V685 HydrophobicContact CB-CG2 4.09Å; I674-V685 HydrophobicContact CD1-CG2 3.86Å; I674-V685 HydrophobicContact CG1-CG2 3.86Å |
| 675 | S | 86.4 | Confident | 81.5 | Confident | 70 Ų | 70 | 69 Ų | 69 | 49% | 0.49 | 37% | 0.374 | S | S | . | . | G | 310 helix | trans | -75.1 | -9.1 | 177.3 | 67.5 | 0 | 0 | 0 | 0 | 115 | H673 | H673-S675 PolarHBondContact ND1-OG 3.42Å; H673-S675 PolarHBondContact O-N 2.96Å |
| 676 | Q | 89.2 | Confident | 82.2 | Confident | 54 Ų | 54 | 70.6 Ų | 70.6 | 25% | 0.252 | 37% | 0.374 | S | S | . | . | G | 310 helix | trans | -110 | 7.6 | -177 | -64.9 | -62.7 | -25.4 | 0 | 0 | 112.4 | V672 H673 I674 L700 S711 I712 K713 | V672-Q676 HydrophobicContact CG1-CB 4.2Å; H673-Q676 HydrophobicContact CB-CG 4.47Å; H673-Q676 WeakPolarHBondContact O-CA 3.3Å; H673-Q676 WeakPolarHBondContact O-CB 3.16Å; H673-Q676 PolarHBondContact O-N 3.07Å; I674-Q676 VanDerWaalsContact C-N 3.27Å; I674-Q676 PolarHBondContact O-N 2.98Å; Q676-L700 HydrophobicContact CG-CD1 4.27Å; Q676-S711 PolarHBondContact O-OG 3.37Å; Q676-S711 PolarHBondContact OE1-OG 3.39Å; Q676-I712 PolarHBondContact O-N 3.14Å; Q676-K713 PolarHBondContact O-N 3.32Å; Q676-K713 VanDerWaalsContact O-N 3.11Å |
| 677 | I | 86.3 | Confident | 83.2 | Confident | 8 Ų | 8 | 73.8 Ų | 73.8 | 4% | 0.041 | 38% | 0.381 | C | S | . | . | S | Bend | trans | -81.6 | -45.3 | -179.3 | -64.1 | 176.1 | 0 | 0 | 0 | 111.2 | V672 I674 V682 V685 Y688 L689 | V672-I677 HydrophobicContact CG1-CG1 3.73Å; I674-I677 HydrophobicContact CG1-CD1 4.43Å; I677-V682 HydrophobicContact CB-CG2 4.22Å; I677-V682 HydrophobicContact CG2-CG2 4.38Å; I677-V685 HydrophobicContact CD1-CB 4.2Å; I677-V685 HydrophobicContact CD1-CG1 3.75Å; I677-V685 HydrophobicContact CD1-CG2 4.01Å; I677-Y688 HydrophobicContact CG2-CD1 4.24Å; I677-Y688 HydrophobicContact CG2-CG 3.87Å; I677-L689 HydrophobicContact CD1-CD1 4.02Å; I677-L689 HydrophobicContact CG1-CD1 4.24Å |
| 678 | A | 82.5 | Confident | 84.1 | Confident | 22 Ų | 22 | 74.4 Ų | 74.4 | 18% | 0.182 | 36% | 0.357 | C | S | . | . | trans | -148.8 | 163.7 | -175.6 | 0 | 0 | 0 | 0 | 0 | 111.1 | K680 V682 Y688 | A678-K680 PolarHBondContact O-N 3.39Å; A678-V682 HydrophobicContact CB-CG2 4.05Å; A678-Y688 HydrophobicContact CB-CD1 4.21Å; A678-Y688 HydrophobicContact CB-CE1 3.82Å | ||
| 679 | D | 79.1 | Confident | 84.7 | Confident | 108 Ų | 108 | 72.7 Ų | 72.7 | 58% | 0.578 | 35% | 0.35 | S | S | * | . | S | Bend | trans | -67.1 | -17.1 | 175.9 | -80.6 | -47.6 | 0 | 0 | 0 | 114.9 | K713 | D679-K713 WeakPolarHBondContact OD1-CD 3.49Å; D679-K713 WeakPolarHBondContact OD1-CE 3.31Å; D679-K713 WeakPolarHBondContact OD1-CG 3.12Å; D679-K713 IonicContact OD1-NZ 3.24Å; D679-K713 PolarHBondContact OD1-NZ 2.9Å |
| 680 | K | 80.5 | Confident | 85 | Confident | 166 Ų | 166 | 75.2 Ų | 75.2 | 72% | 0.722 | 36% | 0.361 | S | S | * | . | S | Bend | trans | -102.4 | 155.4 | -179.4 | -61.2 | -180 | -175.8 | 176.1 | 0 | 109.8 | A678 V682 | A678-K680 PolarHBondContact O-N 3.39Å; K680-V682 PolarHBondContact O-N 3.15Å |
| 681 | R | 79.9 | Confident | 85 | Confident | 235 Ų | 235 | 80.9 Ų | 80.9 | 89% | 0.887 | 39% | 0.389 | S | S | * | . | trans | -58.8 | 114.6 | 174.4 | -173.6 | 175.1 | -177.4 | 172.3 | -0.4 | 109.5 | ||||
| 682 | V | 78.7 | Confident | 84.6 | Confident | 14 Ų | 14 | 80.4 Ų | 80.4 | 9% | 0.085 | 39% | 0.394 | C | S | . | . | trans | -88.1 | 120.4 | 175.8 | 178.7 | 0 | 0 | 0 | 0 | 108.3 | I674 I677 A678 K680 K684 Y688 | I674-V682 HydrophobicContact CD1-CB 4.45Å; I674-V682 HydrophobicContact CD1-CG1 4.15Å; I674-V682 WeakPolarHBondContact CD1-O 3.34Å; I674-V682 HydrophobicContact CG1-CB 3.85Å; I674-V682 HydrophobicContact CG1-CG1 3.78Å; I677-V682 HydrophobicContact CB-CG2 4.22Å; I677-V682 HydrophobicContact CG2-CG2 4.38Å; A678-V682 HydrophobicContact CB-CG2 4.05Å; K680-V682 PolarHBondContact O-N 3.15Å; V682-K684 VanDerWaalsContact CG1-O 3.28Å; V682-K684 WeakPolarHBondContact CG1-O 3.24Å; V682-Y688 HydrophobicContact CB-CD2 4.41Å; V682-Y688 HydrophobicContact CB-CE2 4.19Å; V682-Y688 HydrophobicContact CG1-CD2 3.64Å; V682-Y688 HydrophobicContact CG1-CE2 3.79Å; V682-Y688 HydrophobicContact CG2-CD2 3.99Å; V682-Y688 HydrophobicContact CG2-CE2 3.72Å | ||
| 683 | E | 81.1 | Confident | 84.4 | Confident | 166 Ų | 166 | 83.5 Ų | 83.5 | 78% | 0.776 | 41% | 0.409 | S | S | * | . | S | Bend | trans | -82.2 | -40.7 | 175.1 | -68.2 | -160.4 | 164.7 | 0 | 0 | 112 | ||
| 684 | K | 81.5 | Confident | 84.4 | Confident | 129 Ų | 129 | 86.1 Ų | 86.1 | 56% | 0.561 | 42% | 0.421 | S | S | * | . | trans | -131.2 | 130.3 | 176.9 | -62 | 178.5 | -177.5 | 174.9 | 0 | 110.6 | V682 T686 D687 | V682-K684 VanDerWaalsContact CG1-O 3.28Å; V682-K684 WeakPolarHBondContact CG1-O 3.24Å; K684-T686 PolarHBondContact O-N 3.2Å; K684-D687 WeakPolarHBondContact O-CB 3.42Å; K684-D687 PolarHBondContact O-N 3.09Å; K684-D687 VanDerWaalsContact O-N 3.15Å | ||
| 685 | V | 81 | Confident | 84.5 | Confident | 5 Ų | 5 | 85 Ų | 85 | 3% | 0.03 | 42% | 0.416 | C | S | . | . | G | 310 helix | trans | -57.3 | -36.3 | 176.6 | 179.5 | 0 | 0 | 0 | 0 | 111.4 | I655 A660 I674 I677 D687 Y688 L689 | I655-V685 HydrophobicContact CG2-CB 4.03Å; I655-V685 HydrophobicContact CG2-CG1 3.73Å; A660-V685 HydrophobicContact CB-CG1 4.06Å; I674-V685 HydrophobicContact CB-CG2 4.09Å; I674-V685 HydrophobicContact CD1-CG2 3.86Å; I674-V685 HydrophobicContact CG1-CG2 3.86Å; I677-V685 HydrophobicContact CD1-CB 4.2Å; I677-V685 HydrophobicContact CD1-CG1 3.75Å; I677-V685 HydrophobicContact CD1-CG2 4.01Å; V685-D687 PolarHBondContact O-N 3.49Å; V685-Y688 PolarHBondContact O-N 3.22Å; V685-Y688 VanDerWaalsContact O-N 3.15Å; V685-L689 HydrophobicContact CG1-CB 4.29Å; V685-L689 HydrophobicContact CG1-CD1 4.09Å; V685-L689 PolarHBondContact O-N 3.09Å |
| 686 | T | 84 | Confident | 84.7 | Confident | 84 Ų | 84 | 84.6 Ų | 84.6 | 52% | 0.515 | 41% | 0.412 | S | S | . | . | G | 310 helix | trans | -63.9 | -18.4 | -179.4 | 51.9 | 0 | 0 | 0 | 0 | 114.5 | I655 K684 Y688 L689 | I655-T686 HydrophobicContact CG2-CG2 4.14Å; K684-T686 PolarHBondContact O-N 3.2Å; T686-Y688 PolarHBondContact O-N 3.32Å; T686-L689 WeakPolarHBondContact CA-O 3.29Å |
| 687 | D | 85.2 | Confident | 84.7 | Confident | 109 Ų | 109 | 82 Ų | 82 | 58% | 0.583 | 40% | 0.4 | S | S | * | . | G | 310 helix | trans | -74.6 | -19.6 | 178.7 | -61.2 | -12.1 | 0 | 0 | 0 | 111.6 | K684 V685 | K684-D687 WeakPolarHBondContact O-CB 3.42Å; K684-D687 PolarHBondContact O-N 3.09Å; K684-D687 VanDerWaalsContact O-N 3.15Å; V685-D687 PolarHBondContact O-N 3.49Å |
| 688 | Y | 83.3 | Confident | 84.8 | Confident | 101 Ų | 101 | 82.9 Ų | 82.9 | 40% | 0.396 | 40% | 0.403 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -117.7 | -28 | -177.2 | -69.2 | -96.4 | 0 | 0 | 0 | 113 | I677 A678 V682 V685 T686 Q693 | I677-Y688 HydrophobicContact CG2-CD1 4.24Å; I677-Y688 HydrophobicContact CG2-CG 3.87Å; A678-Y688 HydrophobicContact CB-CD1 4.21Å; A678-Y688 HydrophobicContact CB-CE1 3.82Å; V682-Y688 HydrophobicContact CB-CD2 4.41Å; V682-Y688 HydrophobicContact CB-CE2 4.19Å; V682-Y688 HydrophobicContact CG1-CD2 3.64Å; V682-Y688 HydrophobicContact CG1-CE2 3.79Å; V682-Y688 HydrophobicContact CG2-CD2 3.99Å; V682-Y688 HydrophobicContact CG2-CE2 3.72Å; V685-Y688 PolarHBondContact O-N 3.22Å; V685-Y688 VanDerWaalsContact O-N 3.15Å; T686-Y688 PolarHBondContact O-N 3.32Å; Y688-Q693 PolarHBondContact O-NE2 2.93Å; Y688-Q693 PolarHBondContact O-OE1 3.19Å |
| 689 | L | 87.5 | Confident | 85 | Confident | 3 Ų | 3 | 81.9 Ų | 81.9 | 2% | 0.016 | 40% | 0.395 | C | S | . | . | trans | -127.2 | 136.2 | -173.7 | -62.1 | 177.3 | 0 | 0 | 0 | 111.8 | V652 I655 A660 I677 V685 T686 Q693 V695 I712 | V652-L689 HydrophobicContact CG2-CB 4.44Å; V652-L689 HydrophobicContact CG2-CD2 4.21Å; I655-L689 HydrophobicContact CD1-CB 4.33Å; I655-L689 VanDerWaalsContact CD1-O 3.23Å; I655-L689 WeakPolarHBondContact CD1-O 3.39Å; A660-L689 HydrophobicContact CB-CD1 3.52Å; I677-L689 HydrophobicContact CD1-CD1 4.02Å; I677-L689 HydrophobicContact CG1-CD1 4.24Å; V685-L689 HydrophobicContact CG1-CB 4.29Å; V685-L689 HydrophobicContact CG1-CD1 4.09Å; V685-L689 PolarHBondContact O-N 3.09Å; T686-L689 WeakPolarHBondContact CA-O 3.29Å; L689-Q693 VanDerWaalsContact CA-OE1 3.27Å; L689-V695 HydrophobicContact CD2-CG1 3.72Å; L689-V695 HydrophobicContact CD2-CG2 4.4Å; L689-I712 HydrophobicContact CD1-CD1 3.9Å; L689-I712 HydrophobicContact CD2-CD1 3.71Å; L689-I712 HydrophobicContact CG-CD1 4.33Å | ||
| 690 | Q | 89.3 | Confident | 85.4 | Confident | 140 Ų | 140 | 79.1 Ų | 79.1 | 65% | 0.654 | 38% | 0.38 | S | S | * | . | trans | -119.4 | 151.7 | 172.9 | -60.6 | -179 | 11.8 | 0 | 0 | 110.4 | V652 G692 Q693 | V652-Q690 WeakPolarHBondContact CB-O 3.37Å; Q690-G692 PolarHBondContact O-N 3.3Å; Q690-Q693 HydrophobicContact CB-CB 4.46Å; Q690-Q693 WeakPolarHBondContact O-CB 3.26Å; Q690-Q693 PolarHBondContact O-N 3.23Å | ||
| 691 | M | 89.7 | Confident | 85.5 | Confident | 121 Ų | 121 | 75 Ų | 75 | 60% | 0.596 | 36% | 0.363 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -56.2 | 127.7 | 174.3 | -73.7 | -69.9 | -62 | 0 | 0 | 110.2 | T653 I655 Q693 | T653-M691 WeakPolarHBondContact O-CE 3.38Å; I655-M691 HydrophobicContact CD1-CG 4.34Å; I655-M691 HydrophobicContact CG1-SD 4.24Å; M691-Q693 VanDerWaalsContact C-N 3.32Å |
| 692 | G | 83 | Confident | 85.5 | Confident | 34 Ų | 34 | 66.9 Ų | 66.9 | 35% | 0.351 | 34% | 0.339 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 82.6 | -1.4 | -178.6 | 0 | 0 | 0 | 0 | 0 | 115.8 | K651 V652 Q690 | K651-G692 WeakPolarHBondContact CE-O 3.4Å; V652-G692 WeakPolarHBondContact O-CA 3.49Å; V652-G692 PolarHBondContact O-N 3Å; Q690-G692 PolarHBondContact O-N 3.3Å |
| 693 | Q | 87.7 | Confident | 85.4 | Confident | 66 Ų | 66 | 67.7 Ų | 67.7 | 31% | 0.308 | 34% | 0.343 | S | S | . | . | trans | -66.4 | 135.4 | 175.2 | -174.4 | -179.8 | -21.9 | 0 | 0 | 111 | K651 V652 Y688 L689 Q690 M691 V695 | K651-Q693 WeakPolarHBondContact CA-O 3.45Å; V652-Q693 HydrophobicContact CG2-CB 4.35Å; V652-Q693 WeakPolarHBondContact CG2-O 3.45Å; V652-Q693 PolarHBondContact N-O 2.73Å; Y688-Q693 PolarHBondContact O-NE2 2.93Å; Y688-Q693 PolarHBondContact O-OE1 3.19Å; L689-Q693 VanDerWaalsContact CA-OE1 3.27Å; Q690-Q693 HydrophobicContact CB-CB 4.46Å; Q690-Q693 WeakPolarHBondContact O-CB 3.26Å; Q690-Q693 PolarHBondContact O-N 3.23Å; M691-Q693 VanDerWaalsContact C-N 3.32Å; Q693-V695 HydrophobicContact CG-CG1 4.02Å | ||
| 694 | E | 89.3 | Confident | 84.9 | Confident | 140 Ų | 140 | 72.3 Ų | 72.3 | 65% | 0.654 | 35% | 0.353 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -90.2 | 127.4 | 171.8 | -69 | -175 | 173.5 | 0 | 0 | 110.1 | T649 G650 K651 | T649-E694 HydrophobicContact CG2-CB 4.23Å; G650-E694 CarbonylContact O-C 3.58Å; G650-E694 WeakPolarHBondContact O-CA 3.41Å; K651-E694 HydrophobicContact CB-CG 4.46Å |
| 695 | V | 89.2 | Confident | 84.3 | Confident | 10 Ų | 10 | 73 Ų | 73 | 6% | 0.061 | 36% | 0.359 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.8 | 142.1 | -177.7 | -70.8 | 0 | 0 | 0 | 0 | 111.1 | G650 V652 V662 L689 Q693 V697 I712 | G650-V695 PolarHBondContact N-O 2.89Å; G650-V695 PolarHBondContact O-N 2.91Å; V652-V695 HydrophobicContact CG2-CG2 4.35Å; V662-V695 HydrophobicContact CG1-CG2 4.41Å; L689-V695 HydrophobicContact CD2-CG1 3.72Å; L689-V695 HydrophobicContact CD2-CG2 4.4Å; Q693-V695 HydrophobicContact CG-CG1 4.02Å; V695-V697 HydrophobicContact CG2-CG1 4.07Å; V695-I712 HydrophobicContact CB-CD1 4.27Å; V695-I712 HydrophobicContact CG2-CD1 3.99Å; V695-I712 HydrophobicContact CG2-CG1 4.37Å |
| 696 | P | 90.4 | Very high | 83.7 | Confident | 62 Ų | 62 | 75 Ų | 75 | 40% | 0.403 | 38% | 0.381 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -70.6 | 129.4 | 169.5 | 30.5 | -33.1 | 0 | 0 | 0 | 109.6 | V647 Y648 A715 | V647-P696 HydrophobicContact CG1-CB 4.01Å; Y648-P696 CarbonylContact O-C 3.58Å; Y648-P696 WeakPolarHBondContact O-CA 3.48Å; P696-A715 HydrophobicContact CB-CB 4.15Å |
| 697 | V | 90 | Very high | 83.5 | Confident | 0 Ų | 0 | 78 Ų | 78 | 0% | 0 | 38% | 0.383 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.2 | 128.9 | -178.3 | -77.2 | 0 | 0 | 0 | 0 | 110.6 | V647 Y648 V662 I664 V672 V695 L710 I712 | V647-V697 CarbonylContact C-O 3.57Å; V647-V697 WeakPolarHBondContact CA-O 3.48Å; Y648-V697 PolarHBondContact N-O 3.42Å; Y648-V697 VanDerWaalsContact O-CG2 3.32Å; Y648-V697 WeakPolarHBondContact O-CG2 3.34Å; Y648-V697 PolarHBondContact O-N 3.44Å; V662-V697 HydrophobicContact CG1-CG1 4.35Å; V662-V697 HydrophobicContact CG1-CG2 4.2Å; I664-V697 HydrophobicContact CG2-CG2 3.38Å; V672-V697 HydrophobicContact CG2-CG1 3.87Å; V695-V697 HydrophobicContact CG2-CG1 4.07Å; V697-L710 HydrophobicContact CB-CB 4.21Å; V697-L710 HydrophobicContact CB-CD1 4.37Å; V697-L710 HydrophobicContact CB-CD2 4.41Å; V697-L710 HydrophobicContact CG1-CB 4.4Å; V697-L710 HydrophobicContact CG2-CD1 4.19Å; V697-L710 HydrophobicContact CG2-CD2 4.44Å; V697-I712 HydrophobicContact CG1-CD1 4.46Å; V697-I712 HydrophobicContact CG1-CG1 3.58Å |
| 698 | K | 88.2 | Confident | 83.6 | Confident | 26 Ų | 26 | 73.5 Ų | 73.5 | 11% | 0.113 | 36% | 0.358 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.5 | 135.9 | 173.9 | -169.8 | -177.9 | 176.2 | -175 | 0 | 109.6 | G645 R646 V647 L700 L710 S711 E714 A715 | G645-K698 VanDerWaalsContact O-CE 3.25Å; G645-K698 WeakPolarHBondContact O-CE 3.3Å; G645-K698 WeakPolarHBondContact O-CG 3.48Å; R646-K698 WeakPolarHBondContact O-CA 3.33Å; V647-K698 HydrophobicContact CG2-CB 4.08Å; V647-K698 HydrophobicContact CG2-CG 4.22Å; K698-L700 PolarHBondContact O-N 3.06Å; K698-L710 CarbonylContact O-C 3.52Å; K698-L710 VanDerWaalsContact O-CA 3.31Å; K698-L710 WeakPolarHBondContact O-CA 3.42Å; K698-S711 PolarHBondContact N-O 2.83Å; K698-S711 PolarHBondContact O-N 3.4Å; K698-E714 HydrophobicContact CB-CB 4.37Å; K698-E714 HydrophobicContact CD-CB 3.72Å; K698-E714 IonicContact NZ-OE2 3.98Å; K698-E714 PolarHBondContact NZ-OE2 3.02Å; K698-A715 HydrophobicContact CB-CB 4.18Å |
| 699 | V | 87.1 | Confident | 83.7 | Confident | 1 Ų | 1 | 75 Ų | 75 | 1% | 0.006 | 36% | 0.363 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -77.2 | 113.7 | 172.6 | -180 | 0 | 0 | 0 | 0 | 108.5 | I642 V644 G645 R646 Y648 I664 V702 I708 L710 | I642-V699 HydrophobicContact CG2-CB 4.02Å; I642-V699 HydrophobicContact CG2-CG1 3.71Å; I642-V699 HydrophobicContact CG2-CG2 3.3Å; V644-V699 HydrophobicContact CG2-CG1 4.16Å; G645-V699 WeakPolarHBondContact CA-O 3.38Å; G645-V699 PolarHBondContact N-O 3.35Å; R646-V699 PolarHBondContact O-N 3.19Å; Y648-V699 HydrophobicContact CD2-CG2 3.78Å; Y648-V699 HydrophobicContact CE2-CG2 3.68Å; I664-V699 HydrophobicContact CD1-CG2 4.16Å; V699-V702 HydrophobicContact CG1-CG2 4.35Å; V699-I708 HydrophobicContact CG1-CG2 3.98Å; V699-I708 HydrophobicContact CG2-CG2 4.38Å; V699-L710 HydrophobicContact CB-CD2 4.41Å; V699-L710 HydrophobicContact CG2-CD2 3.78Å |
| 700 | L | 85.9 | Confident | 83.9 | Confident | 50 Ų | 50 | 75 Ų | 75 | 26% | 0.262 | 36% | 0.363 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -81.9 | -46.2 | 179 | -67.8 | -177.2 | 0 | 0 | 0 | 111.8 | V644 Q676 K698 R709 E714 | V644-L700 WeakPolarHBondContact CG1-O 3.42Å; Q676-L700 HydrophobicContact CG-CD1 4.27Å; K698-L700 PolarHBondContact O-N 3.06Å; L700-R709 HydrophobicContact CB-CB 4.43Å; L700-R709 PolarHBondContact N-O 2.99Å; L700-E714 HydrophobicContact CD2-CB 4.48Å; L700-E714 HydrophobicContact CD2-CG 4.27Å |
| 701 | E | 83.7 | Confident | 83.9 | Confident | 80 Ų | 80 | 68.3 Ų | 68.3 | 37% | 0.374 | 33% | 0.332 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -162.3 | 158.4 | 178.9 | 60.3 | 178 | -177 | 0 | 0 | 110.2 | R709 | E701-R709 HydrophobicContact CG-CB 3.99Å; E701-R709 HydrophobicContact CG-CG 4.16Å; E701-R709 PolarHBondContact O-N 3.47Å; E701-R709 WeakPolarHBondContact OE1-CD 3.5Å; E701-R709 IonicContact OE1-CZ 3.56Å; E701-R709 IonicContact OE1-NE 2.76Å; E701-R709 PolarHBondContact OE1-NE 3.27Å; E701-R709 IonicContact OE1-NH1 2.63Å; E701-R709 PolarHBondContact OE1-NH1 3Å |
| 702 | V | 78.8 | Confident | 83.9 | Confident | 63 Ų | 63 | 63.3 Ų | 63.3 | 38% | 0.382 | 31% | 0.307 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.2 | 117.5 | 165.5 | -177.7 | 0 | 0 | 0 | 0 | 106.2 | V644 V699 I708 | V644-V702 HydrophobicContact CG2-CG2 4.27Å; V699-V702 HydrophobicContact CG1-CG2 4.35Å; V702-I708 HydrophobicContact CG2-CG1 4.13Å |
| 703 | D | 76.7 | Confident | 84.1 | Confident | 31 Ų | 31 | 64.5 Ų | 64.5 | 17% | 0.166 | 30% | 0.303 | C | S | . | . | trans | -72.4 | 172 | -176.7 | 79.1 | 6.4 | 0 | 0 | 0 | 112.3 | Q705 G706 R707 | D703-Q705 PolarHBondContact O-N 2.87Å; D703-Q705 VanDerWaalsContact OD1-C 3.31Å; D703-Q705 VanDerWaalsContact OD1-CA 3.28Å; D703-Q705 WeakPolarHBondContact OD1-CA 3.49Å; D703-Q705 WeakPolarHBondContact OD1-CB 3.45Å; D703-Q705 PolarHBondContact OD1-N 3.49Å; D703-G706 PolarHBondContact O-N 3.07Å; D703-G706 PolarHBondContact OD1-N 3.22Å; D703-R707 PolarHBondContact N-O 3.1Å; D703-R707 WeakPolarHBondContact OD1-CB 3.43Å; D703-R707 PolarHBondContact OD1-N 3.26Å; D703-R707 IonicContact OD1-NE 2.71Å; D703-R707 IonicContact OD2-CZ 3.74Å; D703-R707 IonicContact OD2-NE 2.83Å; D703-R707 PolarHBondContact OD2-NE 3.33Å; D703-R707 IonicContact OD2-NH2 3.71Å; D703-R707 PolarHBondContact OD2-NH2 2.98Å | ||
| 704 | R | 70.6 | Confident | 83.9 | Confident | 263 Ų | 263 | 64.4 Ų | 64.4 | 99% | 0.992 | 30% | 0.302 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60.8 | -15.6 | 179 | -65.2 | -175.4 | -178.7 | -177.3 | 0 | 114.2 | ||
| 705 | Q | 70.3 | Confident | 83.5 | Confident | 145 Ų | 145 | 57.9 Ų | 57.9 | 68% | 0.678 | 27% | 0.272 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -95.7 | 3 | 176.3 | -63.2 | -175 | -20.2 | 0 | 0 | 112 | D703 R707 | D703-Q705 PolarHBondContact O-N 2.87Å; D703-Q705 VanDerWaalsContact OD1-C 3.31Å; D703-Q705 VanDerWaalsContact OD1-CA 3.28Å; D703-Q705 WeakPolarHBondContact OD1-CA 3.49Å; D703-Q705 WeakPolarHBondContact OD1-CB 3.45Å; D703-Q705 PolarHBondContact OD1-N 3.49Å; Q705-R707 VanDerWaalsContact C-N 3.34Å; Q705-R707 HydrophobicContact CB-CG 4.46Å; Q705-R707 VanDerWaalsContact OE1-NH1 3.12Å |
| 706 | G | 67.3 | Low | 83 | Confident | 47 Ų | 47 | 61.1 Ų | 61.1 | 49% | 0.485 | 29% | 0.292 | S | S | . | . | S | Bend | trans | 80.2 | 10.5 | -178.5 | 0 | 0 | 0 | 0 | 0 | 114.2 | D703 | D703-G706 PolarHBondContact O-N 3.07Å; D703-G706 PolarHBondContact OD1-N 3.22Å |
| 707 | R | 80.2 | Confident | 81.7 | Confident | 147 Ų | 147 | 62.7 Ų | 62.7 | 56% | 0.555 | 29% | 0.294 | S | S | * | . | P | Polyproline II helix | trans | -81.5 | 128.6 | 178.4 | -58.7 | 177.8 | -63.8 | -160 | -3.6 | 109.6 | D703 Q705 | D703-R707 PolarHBondContact N-O 3.1Å; D703-R707 WeakPolarHBondContact OD1-CB 3.43Å; D703-R707 PolarHBondContact OD1-N 3.26Å; D703-R707 IonicContact OD1-NE 2.71Å; D703-R707 IonicContact OD2-CZ 3.74Å; D703-R707 IonicContact OD2-NE 2.83Å; D703-R707 PolarHBondContact OD2-NE 3.33Å; D703-R707 IonicContact OD2-NH2 3.71Å; D703-R707 PolarHBondContact OD2-NH2 2.98Å; Q705-R707 VanDerWaalsContact C-N 3.34Å; Q705-R707 HydrophobicContact CB-CG 4.46Å; Q705-R707 VanDerWaalsContact OE1-NH1 3.12Å |
| 708 | I | 86.4 | Confident | 79.9 | Confident | 14 Ų | 14 | 68.3 Ų | 68.3 | 7% | 0.072 | 32% | 0.32 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.2 | 124.6 | -175.1 | -57 | 138.4 | 0 | 0 | 0 | 108.9 | I642 I664 K668 G670 L671 V699 V702 L710 | I642-I708 HydrophobicContact CD1-CD1 3.2Å; I642-I708 HydrophobicContact CD1-CG1 3.72Å; I642-I708 HydrophobicContact CG2-CG2 4.48Å; I664-I708 HydrophobicContact CD1-CG2 4.32Å; K668-I708 HydrophobicContact CB-CD1 4.06Å; G670-I708 CarbonylContact C-O 3.53Å; G670-I708 VanDerWaalsContact CA-O 3.23Å; G670-I708 WeakPolarHBondContact CA-O 3.47Å; L671-I708 PolarHBondContact N-O 3.12Å; V699-I708 HydrophobicContact CG1-CG2 3.98Å; V699-I708 HydrophobicContact CG2-CG2 4.38Å; V702-I708 HydrophobicContact CG2-CG1 4.13Å; I708-L710 HydrophobicContact CG2-CD2 3.71Å; I708-L710 HydrophobicContact CG2-CG 4.13Å |
| 709 | R | 86.8 | Confident | 77.8 | Confident | 133 Ų | 133 | 71.7 Ų | 71.7 | 50% | 0.502 | 35% | 0.347 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.6 | 129.2 | 170.8 | -68.1 | -167.8 | -176.3 | 167.2 | -7.3 | 110 | L700 E701 | L700-R709 HydrophobicContact CB-CB 4.43Å; L700-R709 PolarHBondContact N-O 2.99Å; E701-R709 HydrophobicContact CG-CB 3.99Å; E701-R709 HydrophobicContact CG-CG 4.16Å; E701-R709 PolarHBondContact O-N 3.47Å; E701-R709 WeakPolarHBondContact OE1-CD 3.5Å; E701-R709 IonicContact OE1-CZ 3.56Å; E701-R709 IonicContact OE1-NE 2.76Å; E701-R709 PolarHBondContact OE1-NE 3.27Å; E701-R709 IonicContact OE1-NH1 2.63Å; E701-R709 PolarHBondContact OE1-NH1 3Å |
| 710 | L | 91.3 | Very high | 75.4 | Confident | 1 Ų | 1 | 79 Ų | 79 | 1% | 0.005 | 38% | 0.381 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.6 | 150.7 | -176 | -62.8 | 176.7 | 0 | 0 | 0 | 110.7 | V662 I664 L671 V672 V697 K698 V699 I708 | V662-L710 HydrophobicContact CB-CD1 3.91Å; I664-L710 HydrophobicContact CD1-CD2 4.18Å; I664-L710 HydrophobicContact CG2-CD1 3.72Å; I664-L710 HydrophobicContact CG2-CD2 4.24Å; L671-L710 PolarHBondContact O-N 3.31Å; V672-L710 HydrophobicContact CG2-CB 3.54Å; V672-L710 HydrophobicContact CG2-CD1 4.39Å; V697-L710 HydrophobicContact CB-CB 4.21Å; V697-L710 HydrophobicContact CB-CD1 4.37Å; V697-L710 HydrophobicContact CB-CD2 4.41Å; V697-L710 HydrophobicContact CG1-CB 4.4Å; V697-L710 HydrophobicContact CG2-CD1 4.19Å; V697-L710 HydrophobicContact CG2-CD2 4.44Å; K698-L710 CarbonylContact O-C 3.52Å; K698-L710 VanDerWaalsContact O-CA 3.31Å; K698-L710 WeakPolarHBondContact O-CA 3.42Å; V699-L710 HydrophobicContact CB-CD2 4.41Å; V699-L710 HydrophobicContact CG2-CD2 3.78Å; I708-L710 HydrophobicContact CG2-CD2 3.71Å; I708-L710 HydrophobicContact CG2-CG 4.13Å |
| 711 | S | 89.2 | Confident | 73 | Confident | 0 Ų | 0 | 82.7 Ų | 82.7 | 0% | 0 | 41% | 0.408 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.7 | 126.1 | 172.9 | -176.9 | 0 | 0 | 0 | 0 | 111.7 | Q676 K698 E714 | Q676-S711 PolarHBondContact O-OG 3.37Å; Q676-S711 PolarHBondContact OE1-OG 3.39Å; K698-S711 PolarHBondContact N-O 2.83Å; K698-S711 PolarHBondContact O-N 3.4Å; S711-E714 PolarHBondContact OG-N 3.1Å |
| 712 | I | 89.6 | Confident | 70.9 | Confident | 16 Ų | 16 | 83.7 Ų | 83.7 | 8% | 0.082 | 43% | 0.43 | C | S | . | . | H | α-helix | trans | -81.7 | -38.4 | 172.7 | -61.5 | 172.7 | 0 | 0 | 0 | 109.3 | V672 Q676 L689 V695 V697 E714 A715 T716 | V672-I712 HydrophobicContact CG1-CD1 4.06Å; V672-I712 HydrophobicContact CG1-CG1 4.04Å; V672-I712 HydrophobicContact CG2-CD1 4.39Å; V672-I712 HydrophobicContact CG2-CG1 4.2Å; Q676-I712 PolarHBondContact O-N 3.14Å; L689-I712 HydrophobicContact CD1-CD1 3.9Å; L689-I712 HydrophobicContact CD2-CD1 3.71Å; L689-I712 HydrophobicContact CG-CD1 4.33Å; V695-I712 HydrophobicContact CB-CD1 4.27Å; V695-I712 HydrophobicContact CG2-CD1 3.99Å; V695-I712 HydrophobicContact CG2-CG1 4.37Å; V697-I712 HydrophobicContact CG1-CD1 4.46Å; V697-I712 HydrophobicContact CG1-CG1 3.58Å; I712-E714 PolarHBondContact O-N 3.22Å; I712-A715 WeakPolarHBondContact O-CB 3.48Å; I712-A715 PolarHBondContact O-N 2.67Å; I712-T716 PolarHBondContact O-N 2.88Å; I712-T716 PolarHBondContact O-OG1 3.21Å |
| 713 | K | 87.3 | Confident | 69.1 | Low | 59 Ų | 59 | 85.4 Ų | 85.4 | 26% | 0.257 | 45% | 0.451 | S | S | . | . | H | α-helix | trans | -52.9 | -56.4 | 176.2 | 175.5 | -170.2 | 147.9 | 134.9 | 0 | 111.2 | Q676 D679 A715 T716 E717 | Q676-K713 PolarHBondContact O-N 3.32Å; Q676-K713 VanDerWaalsContact O-N 3.11Å; D679-K713 WeakPolarHBondContact OD1-CD 3.49Å; D679-K713 WeakPolarHBondContact OD1-CE 3.31Å; D679-K713 WeakPolarHBondContact OD1-CG 3.12Å; D679-K713 IonicContact OD1-NZ 3.24Å; D679-K713 PolarHBondContact OD1-NZ 2.9Å; K713-A715 VanDerWaalsContact C-N 3.3Å; K713-A715 PolarHBondContact O-N 3.34Å; K713-T716 WeakPolarHBondContact O-CB 3.46Å; K713-T716 PolarHBondContact O-N 3.04Å; K713-E717 VanDerWaalsContact CE-OE1 3.23Å; K713-E717 WeakPolarHBondContact CE-OE1 3.35Å; K713-E717 IonicContact NZ-OE1 3.85Å; K713-E717 PolarHBondContact O-N 2.89Å |
| 714 | E | 83.3 | Confident | 67.2 | Low | 65 Ų | 65 | 88.2 Ų | 88.2 | 30% | 0.304 | 48% | 0.479 | S | S | . | . | H | α-helix | trans | -70.4 | -24.9 | -176.5 | -73.9 | -141.5 | -166.3 | 0 | 0 | 114 | K698 L700 S711 I712 T716 | K698-E714 HydrophobicContact CB-CB 4.37Å; K698-E714 HydrophobicContact CD-CB 3.72Å; K698-E714 IonicContact NZ-OE2 3.98Å; K698-E714 PolarHBondContact NZ-OE2 3.02Å; L700-E714 HydrophobicContact CD2-CB 4.48Å; L700-E714 HydrophobicContact CD2-CG 4.27Å; S711-E714 PolarHBondContact OG-N 3.1Å; I712-E714 PolarHBondContact O-N 3.22Å; E714-T716 PolarHBondContact O-N 3.34Å |
| 715 | A | 80.8 | Confident | 66 | Low | 3 Ų | 3 | 81.9 Ų | 81.9 | 3% | 0.025 | 47% | 0.472 | C | S | . | . | H | α-helix | trans | -65.1 | -33.4 | 171.6 | 0 | 0 | 0 | 0 | 0 | 111.5 | V647 P696 K698 I712 K713 S719 | V647-A715 HydrophobicContact CG1-CB 3.76Å; V647-A715 HydrophobicContact CG2-CB 4.05Å; P696-A715 HydrophobicContact CB-CB 4.15Å; K698-A715 HydrophobicContact CB-CB 4.18Å; I712-A715 WeakPolarHBondContact O-CB 3.48Å; I712-A715 PolarHBondContact O-N 2.67Å; K713-A715 VanDerWaalsContact C-N 3.3Å; K713-A715 PolarHBondContact O-N 3.34Å; A715-S719 PolarHBondContact O-OG 3.14Å |
| 716 | T | 78.8 | Confident | 64.6 | Low | 77 Ų | 77 | 84.4 Ų | 84.4 | 47% | 0.472 | 48% | 0.483 | S | S | . | . | H | α-helix | trans | -78.2 | -37.7 | -178 | -45.3 | 0 | 0 | 0 | 0 | 111.6 | I712 K713 E714 Q718 S719 | I712-T716 PolarHBondContact O-N 2.88Å; I712-T716 PolarHBondContact O-OG1 3.21Å; K713-T716 WeakPolarHBondContact O-CB 3.46Å; K713-T716 PolarHBondContact O-N 3.04Å; E714-T716 PolarHBondContact O-N 3.34Å; T716-Q718 PolarHBondContact O-N 3.22Å; T716-S719 PolarHBondContact O-N 3.19Å |
| 717 | E | 63.5 | Low | 63.3 | Low | 95 Ų | 95 | 86.5 Ų | 86.5 | 44% | 0.444 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -62.7 | -35.7 | 179.6 | -75.2 | -179.7 | 176.1 | 0 | 0 | 113.5 | K713 S719 | K713-E717 VanDerWaalsContact CE-OE1 3.23Å; K713-E717 WeakPolarHBondContact CE-OE1 3.35Å; K713-E717 IonicContact NZ-OE1 3.85Å; K713-E717 PolarHBondContact O-N 2.89Å; E717-S719 VanDerWaalsContact C-N 3.27Å; E717-S719 PolarHBondContact O-N 3.45Å |
| 718 | Q | 51 | Low | 61.8 | Low | 119 Ų | 119 | 85.5 Ų | 85.5 | 56% | 0.556 | 51% | 0.509 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -73.8 | -11.5 | 179.1 | -80.2 | -175.4 | -17 | 0 | 0 | 114.9 | T716 Q720 | T716-Q718 PolarHBondContact O-N 3.22Å; Q718-Q720 PolarHBondContact O-N 3.31Å |
| 719 | S | 45.3 | Very low | 59.7 | Low | 97 Ų | 97 | 89.6 Ų | 89.6 | 68% | 0.678 | 55% | 0.545 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -78.6 | -2.3 | -179.4 | -51.1 | 0 | 0 | 0 | 0 | 113 | A715 T716 E717 | A715-S719 PolarHBondContact O-OG 3.14Å; T716-S719 PolarHBondContact O-N 3.19Å; E717-S719 VanDerWaalsContact C-N 3.27Å; E717-S719 PolarHBondContact O-N 3.45Å |
| 720 | Q | 36.2 | Very low | 57.6 | Low | 154 Ų | 154 | 87.9 Ų | 87.9 | 72% | 0.72 | 56% | 0.559 | S | S | * | * | S | Bend | trans | -96.4 | 122.7 | 178.2 | -64.7 | -177 | 13.1 | 0 | 0 | 109.4 | Q718 A722 | Q718-Q720 PolarHBondContact O-N 3.31Å; Q720-A722 PolarHBondContact O-N 2.62Å |
| 721 | P | 36.7 | Very low | 55.2 | Low | 128 Ų | 128 | 97.1 Ų | 97.1 | 83% | 0.831 | 60% | 0.602 | S | S | * | * | P | Polyproline II helix | trans | -59.8 | 124.8 | -173.6 | -18.5 | 28.9 | 0 | 0 | 0 | 111.6 | A723 | P721-A723 PolarHBondContact O-N 3.35Š|
| 722 | A | 39.1 | Very low | 52.7 | Low | 101 Ų | 101 | 106.7 Ų | 106.7 | 84% | 0.835 | 65% | 0.647 | S | S | * | * | P | Polyproline II helix | trans | -58.9 | 124.1 | 170.6 | 0 | 0 | 0 | 0 | 0 | 109.6 | Q720 | Q720-A722 PolarHBondContact O-N 2.62Š|
| 723 | A | 39.7 | Very low | 50.4 | Low | 99 Ų | 99 | 109.4 Ų | 109.4 | 82% | 0.818 | 68% | 0.678 | S | S | * | * | P | Polyproline II helix | trans | -51.9 | 135.2 | -176.1 | 0 | 0 | 0 | 0 | 0 | 112.4 | P721 | P721-A723 PolarHBondContact O-N 3.35Š|
| 724 | A | 38.5 | Very low | 47.8 | Very low | 90 Ų | 90 | 119.8 Ų | 119.8 | 74% | 0.744 | 73% | 0.728 | S | S | * | * | P | Polyproline II helix | trans | -56.7 | 144.4 | -179.1 | 0 | 0 | 0 | 0 | 0 | 112.1 | ||
| 725 | P | 44.2 | Very low | 46.1 | Very low | 130 Ų | 130 | 122.5 Ų | 122.5 | 84% | 0.844 | 75% | 0.749 | S | S | * | * | P | Polyproline II helix | trans | -69.5 | 133.4 | -178.9 | -4.8 | 19.5 | 0 | 0 | 0 | 110.8 | A727 | P725-A727 PolarHBondContact O-N 2.92Š|
| 726 | E | 42.2 | Very low | 44.2 | Very low | 197 Ų | 197 | 128.8 Ų | 128.8 | 92% | 0.921 | 79% | 0.787 | S | S | * | * | P | Polyproline II helix | trans | -53.1 | 124 | 177.2 | -74 | 174.9 | 141.7 | 0 | 0 | 111.7 | ||
| 727 | A | 40 | Very low | 42.3 | Very low | 92 Ų | 92 | 131.7 Ų | 131.7 | 76% | 0.76 | 81% | 0.805 | S | S | * | * | P | Polyproline II helix | trans | -68.8 | 138.4 | 173.8 | 0 | 0 | 0 | 0 | 0 | 110.6 | P725 | P725-A727 PolarHBondContact O-N 2.92Š|
| 728 | P | 47.1 | Very low | 41.1 | Very low | 126 Ų | 126 | 133.8 Ų | 133.8 | 82% | 0.818 | 83% | 0.826 | S | S | * | * | P | Polyproline II helix | trans | -71.9 | 138 | -175.9 | 27.8 | -32.2 | 0 | 0 | 0 | 111.7 | A730 | P728-A730 PolarHBondContact O-N 3.16Š|
| 729 | A | 43.6 | Very low | 40.4 | Very low | 100 Ų | 100 | 134.8 Ų | 134.8 | 83% | 0.826 | 84% | 0.843 | S | S | * | * | P | Polyproline II helix | trans | -56.6 | 125.5 | -178.4 | 0 | 0 | 0 | 0 | 0 | 112 | E731 | A729-E731 PolarHBondContact O-N 3.13Š|
| 730 | A | 41.8 | Very low | 40.1 | Very low | 97 Ų | 97 | 137.3 Ų | 137.3 | 80% | 0.802 | 85% | 0.854 | S | S | * | * | P | Polyproline II helix | trans | -68.7 | 120.3 | 173.1 | 0 | 0 | 0 | 0 | 0 | 110.3 | P728 | P728-A730 PolarHBondContact O-N 3.16Š|
| 731 | E | 40.5 | Very low | 40.4 | Very low | 194 Ų | 194 | 136.1 Ų | 136.1 | 91% | 0.907 | 86% | 0.863 | S | S | * | * | P | Polyproline II helix | trans | -65.2 | 133.3 | 170.1 | -77.6 | 178.7 | 148.7 | 0 | 0 | 110.6 | A729 G733 | A729-E731 PolarHBondContact O-N 3.13Å; E731-G733 PolarHBondContact O-N 3.49Å |
| 732 | Q | 38.5 | Very low | 40.7 | Very low | 202 Ų | 202 | 136.7 Ų | 136.7 | 94% | 0.944 | 87% | 0.866 | S | S | * | * | trans | -72 | 113.3 | 177.7 | -68.1 | 170.5 | -18.5 | 0 | 0 | 109.6 | ||||
| 733 | G | 40.6 | Very low | 40.8 | Very low | 72 Ų | 72 | 139.7 Ų | 139.7 | 74% | 0.742 | 87% | 0.868 | S | S | * | * | trans | -106.5 | 139.6 | 162.4 | 0 | 0 | 0 | 0 | 0 | 109.8 | E731 | E731-G733 PolarHBondContact O-N 3.49Š| ||
| 734 | E | 33 | Very low | 40.9 | Very low | 277 Ų | 277 | 143.4 Ų | 143.4 | 100% | 1.294 | 87% | 0.873 | S | S | * | * | trans | -53.2 | 0 | 170 | -70.1 | 180 | 146.6 | 0 | 0 | 114 |
Retrieved 734 of 734 residues in 1918.3 ms
(Link to these results)