| 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 | A | 50.5 | Low | 52.1 | Low | 153 Ų | 153 | 145.5 Ų | 145.5 | 100% | 1.264 | 84% | 0.836 | S | S | * | * | 0 | 101.6 | 0 | 0 | 0 | 0 | 0 | 0 | 108.4 | |||||
| 2 | F | 46.8 | Very low | 52.8 | Low | 196 Ų | 196 | 148 Ų | 148 | 86% | 0.86 | 84% | 0.835 | S | S | * | * | trans | -153.3 | 105.4 | 163.5 | -130.7 | -95 | 0 | 0 | 0 | 105.7 | ||||
| 3 | K | 49.2 | Very low | 53.5 | Low | 197 Ų | 197 | 151.6 Ų | 151.6 | 86% | 0.857 | 84% | 0.841 | S | S | * | * | trans | -90.7 | 107.8 | 171.2 | -97.6 | 177.4 | 171.1 | 178.2 | 0 | 105.3 | T5 | K3-T5 VanDerWaalsContact C-N 3.29Å; K3-T5 PolarHBondContact O-N 3.26Å | ||
| 4 | D | 50.6 | Low | 54.8 | Low | 152 Ų | 152 | 147.6 Ų | 147.6 | 81% | 0.813 | 82% | 0.822 | S | S | * | * | trans | -61.5 | 96.2 | 161.4 | -80 | -58.2 | 0 | 0 | 0 | 107.8 | G6 | D4-G6 PolarHBondContact O-N 3.11Å; D4-G6 VanDerWaalsContact O-N 3.16Å | ||
| 5 | T | 52.7 | Low | 56.5 | Low | 130 Ų | 130 | 141.8 Ų | 141.8 | 80% | 0.798 | 80% | 0.801 | S | S | * | * | trans | -70.8 | 108.7 | 170.6 | 47 | 0 | 0 | 0 | 0 | 107.6 | K3 K7 | K3-T5 VanDerWaalsContact C-N 3.29Å; K3-T5 PolarHBondContact O-N 3.26Å; T5-K7 PolarHBondContact O-N 2.95Å | ||
| 6 | G | 51.6 | Low | 58.2 | Low | 72 Ų | 72 | 141.2 Ų | 141.2 | 74% | 0.742 | 79% | 0.793 | S | S | * | * | trans | -44.3 | 124.2 | 174.3 | 0 | 0 | 0 | 0 | 0 | 111.4 | D4 A8 | D4-G6 PolarHBondContact O-N 3.11Å; D4-G6 VanDerWaalsContact O-N 3.16Å; G6-A8 PolarHBondContact O-N 3.02Å | ||
| 7 | K | 50.9 | Low | 59.9 | Low | 198 Ų | 198 | 135.9 Ų | 135.9 | 86% | 0.861 | 76% | 0.76 | S | S | * | * | trans | -62.2 | 103.6 | 166.4 | -163.8 | 174.8 | -173.1 | 177.6 | 0 | 106.6 | T5 | T5-K7 PolarHBondContact O-N 2.95Š| ||
| 8 | A | 53.5 | Low | 61.6 | Low | 75 Ų | 75 | 134.6 Ų | 134.6 | 62% | 0.62 | 74% | 0.742 | S | S | * | * | trans | -54.5 | 138.2 | 170.1 | 0 | 0 | 0 | 0 | 0 | 108.6 | G6 V10 | G6-A8 PolarHBondContact O-N 3.02Å; A8-V10 PolarHBondContact O-N 3.16Å; A8-V10 VanDerWaalsContact O-N 3.11Å | ||
| 9 | P | 54.5 | Low | 63.1 | Low | 122 Ų | 122 | 127.6 Ų | 127.6 | 79% | 0.792 | 70% | 0.703 | S | S | * | * | trans | -61.7 | 120.6 | 174.6 | 26.1 | -30.3 | 0 | 0 | 0 | 107.3 | E11 | P9-E11 PolarHBondContact O-N 2.99Å; P9-E11 VanDerWaalsContact O-N 3.08Å | ||
| 10 | V | 56.2 | Low | 64.6 | Low | 119 Ų | 119 | 126.3 Ų | 126.3 | 72% | 0.721 | 69% | 0.687 | S | S | * | * | trans | -63.3 | 111.2 | 176.1 | -174 | 0 | 0 | 0 | 0 | 106.3 | A8 Q12 | A8-V10 PolarHBondContact O-N 3.16Å; A8-V10 VanDerWaalsContact O-N 3.11Å; V10-Q12 PolarHBondContact O-N 3.13Å | ||
| 11 | E | 56.8 | Low | 65.9 | Low | 186 Ų | 186 | 120.3 Ų | 120.3 | 87% | 0.869 | 65% | 0.654 | S | S | * | * | trans | -58.7 | 105.5 | 168.7 | -73.5 | -179 | 162.2 | 0 | 0 | 106.9 | P9 E13 | P9-E11 PolarHBondContact O-N 2.99Å; P9-E11 VanDerWaalsContact O-N 3.08Å; E11-E13 PolarHBondContact O-N 2.95Å; E11-E13 VanDerWaalsContact O-N 3.13Å | ||
| 12 | Q | 60.6 | Low | 67.9 | Low | 176 Ų | 176 | 113.3 Ų | 113.3 | 82% | 0.822 | 60% | 0.596 | S | S | * | * | trans | -62.9 | 115.7 | 175.7 | -79.9 | 176.7 | -35.3 | 0 | 0 | 107.7 | V10 V14 | V10-Q12 PolarHBondContact O-N 3.13Å; Q12-V14 WeakPolarHBondContact O-CG2 3.36Å; Q12-V14 PolarHBondContact O-N 3.08Å | ||
| 13 | E | 61.3 | Low | 70.2 | Confident | 195 Ų | 195 | 104 Ų | 104 | 91% | 0.911 | 56% | 0.555 | S | S | * | * | trans | -55.1 | 112.1 | 170.3 | -80.7 | -172.3 | 150.5 | 0 | 0 | 108.9 | E11 A15 | E11-E13 PolarHBondContact O-N 2.95Å; E11-E13 VanDerWaalsContact O-N 3.13Å; E13-A15 PolarHBondContact O-N 3.27Å | ||
| 14 | V | 71.7 | Confident | 72.3 | Confident | 95 Ų | 95 | 96 Ų | 96 | 58% | 0.576 | 52% | 0.523 | S | S | * | . | trans | -78.5 | 100.6 | -174.4 | -168.2 | 0 | 0 | 0 | 0 | 108.2 | Q12 I16 P93 | Q12-V14 WeakPolarHBondContact O-CG2 3.36Å; Q12-V14 PolarHBondContact O-N 3.08Å; V14-I16 PolarHBondContact O-N 3.29Å; V14-P93 HydrophobicContact CB-CG 4.47Å; V14-P93 HydrophobicContact CG1-CB 3.36Å; V14-P93 HydrophobicContact CG1-CG 3.29Å | ||
| 15 | A | 80 | Confident | 74.4 | Confident | 61 Ų | 61 | 89 Ų | 89 | 50% | 0.504 | 49% | 0.486 | S | S | . | . | trans | -58.1 | 122.5 | 177.6 | 0 | 0 | 0 | 0 | 0 | 110.8 | E13 H17 | E13-A15 PolarHBondContact O-N 3.27Å; A15-H17 PolarHBondContact O-CD2 3.22Å | ||
| 16 | I | 84.4 | Confident | 76.4 | Confident | 132 Ų | 132 | 91.1 Ų | 91.1 | 68% | 0.677 | 48% | 0.48 | S | S | * | . | trans | -88 | 113.6 | 178.8 | -60.1 | 172.9 | 0 | 0 | 0 | 107.8 | V14 | V14-I16 PolarHBondContact O-N 3.29Š| ||
| 17 | H | 87.5 | Confident | 78.4 | Confident | 51 Ų | 51 | 91.8 Ų | 91.8 | 24% | 0.236 | 47% | 0.466 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102 | 153.3 | 175.7 | -61.8 | -86.4 | 0 | 0 | 0 | 111.4 | A15 I19 S92 I115 D117 | A15-H17 PolarHBondContact O-CD2 3.22Å; H17-I19 HydrophobicContact CB-CD1 4.36Å; H17-I19 HydrophobicContact CB-CG1 3.98Å; H17-S92 PolarHBondContact N-O 3.11Å; H17-S92 PolarHBondContact O-N 3.39Å; H17-S92 VanDerWaalsContact O-N 3.13Å; H17-I115 HydrophobicContact CB-CG2 3.87Å; H17-D117 IonicContact CE1-OD1 3.97Å; H17-D117 IonicContact ND1-OD1 3.85Å; H17-D117 PolarHBondContact ND1-OD1 3.11Å; H17-D117 VanDerWaalsContact ND1-OD1 3.11Å |
| 18 | R | 89.4 | Confident | 80.4 | Confident | 113 Ų | 113 | 85.1 Ų | 85.1 | 43% | 0.426 | 44% | 0.442 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.8 | 109.5 | 166.2 | -177.9 | 167.3 | 178.6 | -169.4 | -4.3 | 108.5 | D89 A116 | R18-D89 IonicContact NH2-OD2 3.69Å; R18-A116 WeakPolarHBondContact O-CB 2.93Å; R18-A116 PolarHBondContact O-N 3.43Å |
| 19 | I | 91 | Very high | 82.3 | Confident | 2 Ų | 2 | 90 Ų | 90 | 1% | 0.01 | 45% | 0.449 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.9 | 134.6 | -173.8 | -54.1 | -176.2 | 0 | 0 | 0 | 109 | H17 I21 D89 L90 V97 V113 | H17-I19 HydrophobicContact CB-CD1 4.36Å; H17-I19 HydrophobicContact CB-CG1 3.98Å; I19-I21 HydrophobicContact CG2-CG1 4.39Å; I19-D89 WeakPolarHBondContact O-CA 3.35Å; I19-L90 PolarHBondContact N-O 3Å; I19-L90 PolarHBondContact O-N 3.28Å; I19-V97 HydrophobicContact CD1-CB 4.22Å; I19-V97 HydrophobicContact CD1-CG2 3.81Å; I19-V97 HydrophobicContact CG2-CG1 4.31Å; I19-V113 HydrophobicContact CG2-CG1 3.45Å; I19-V113 VanDerWaalsContact CG2-CG1 3.45Å |
| 20 | R | 92 | Very high | 84.1 | Confident | 100 Ų | 100 | 84.8 Ų | 84.8 | 38% | 0.377 | 42% | 0.416 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.4 | 120.4 | 175.6 | 174.2 | 163.4 | -78.9 | 179.7 | 1.7 | 109 | L87 D89 T114 | R20-L87 HydrophobicContact CG-CD2 3.86Å; R20-D89 WeakPolarHBondContact CG-OD1 3.46Å; R20-D89 IonicContact CZ-OD1 2.69Å; R20-D89 IonicContact CZ-OD2 2.84Å; R20-D89 IonicContact NE-OD1 3.51Å; R20-D89 PolarHBondContact NE-OD1 3.44Å; R20-D89 IonicContact NE-OD2 2.8Å; R20-D89 IonicContact NH2-OD1 3.91Å; R20-D89 PolarHBondContact NH2-OD1 2.8Å; R20-D89 IonicContact NH2-OD2 3.33Å; R20-D89 PolarHBondContact NH2-OD2 2.69Å; R20-T114 PolarHBondContact N-O 2.88Å; R20-T114 PolarHBondContact O-N 2.75Å |
| 21 | I | 92.1 | Very high | 85.9 | Confident | 1 Ų | 1 | 79.1 Ų | 79.1 | 1% | 0.005 | 38% | 0.381 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.4 | 121.6 | 176.1 | -57.7 | 174.9 | 0 | 0 | 0 | 107.7 | I19 L23 L38 L87 I88 L90 V97 T101 V111 E112 V113 | I19-I21 HydrophobicContact CG2-CG1 4.39Å; I21-L23 HydrophobicContact CG2-CD2 4.16Å; I21-L23 HydrophobicContact CG2-CG 4.44Å; I21-L38 HydrophobicContact CD1-CD2 3.67Å; I21-L38 HydrophobicContact CG2-CD2 4.31Å; I21-L87 CarbonylContact O-C 3.56Å; I21-L87 WeakPolarHBondContact O-CA 3.25Å; I21-I88 HydrophobicContact CB-CB 4.46Å; I21-I88 PolarHBondContact N-O 2.86Å; I21-I88 PolarHBondContact O-N 2.82Å; I21-L90 HydrophobicContact CD1-CD1 3.5Å; I21-L90 VanDerWaalsContact CD1-CD1 3.5Å; I21-L90 HydrophobicContact CD1-CG 4.47Å; I21-L90 HydrophobicContact CG1-CD1 4.46Å; I21-V97 HydrophobicContact CD1-CG1 3.83Å; I21-V97 HydrophobicContact CG1-CG1 4.46Å; I21-T101 HydrophobicContact CD1-CG2 4.2Å; I21-V111 HydrophobicContact CG2-CG1 3.96Å; I21-E112 CarbonylContact C-O 3.52Å; I21-E112 WeakPolarHBondContact CA-O 3.34Å; I21-V113 HydrophobicContact CG1-CG2 4.39Å |
| 22 | T | 93.4 | Very high | 87.6 | Confident | 7 Ų | 7 | 72.7 Ų | 72.7 | 4% | 0.043 | 35% | 0.351 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.9 | 122.9 | 175.9 | -69.5 | 0 | 0 | 0 | 0 | 108.9 | K85 E112 | T22-K85 HydrophobicContact CG2-CD 4.28Å; T22-K85 HydrophobicContact CG2-CG 4.21Å; T22-E112 PolarHBondContact N-O 2.85Å; T22-E112 PolarHBondContact O-N 3.06Å |
| 23 | L | 93.7 | Very high | 89.1 | Confident | 0 Ų | 0 | 69.7 Ų | 69.7 | 0% | 0 | 34% | 0.335 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.9 | 126 | 173.8 | -56.1 | 173.4 | 0 | 0 | 0 | 109 | I21 L31 V34 C35 K85 R86 I88 V109 E110 V111 | I21-L23 HydrophobicContact CG2-CD2 4.16Å; I21-L23 HydrophobicContact CG2-CG 4.44Å; L23-L31 HydrophobicContact CB-CD1 3.53Å; L23-L31 HydrophobicContact CD1-CD1 4.48Å; L23-V34 HydrophobicContact CD1-CG1 4.32Å; L23-V34 HydrophobicContact CD2-CG1 4.33Å; L23-C35 HydrophobicContact CD1-CB 4.07Å; L23-K85 CarbonylContact O-C 3.57Å; L23-K85 VanDerWaalsContact O-CA 3.32Å; L23-K85 WeakPolarHBondContact O-CA 3.26Å; L23-R86 HydrophobicContact CB-CB 4.23Å; L23-R86 PolarHBondContact N-O 2.84Å; L23-R86 PolarHBondContact O-N 3.05Å; L23-I88 HydrophobicContact CD1-CD1 4.09Å; L23-V109 HydrophobicContact CB-CG1 4.46Å; L23-V109 HydrophobicContact CD2-CG1 4.41Å; L23-E110 WeakPolarHBondContact CA-O 3.26Å; L23-V111 HydrophobicContact CD2-CB 4.11Å; L23-V111 HydrophobicContact CD2-CG1 3.82Å; L23-V111 HydrophobicContact CD2-CG2 3.6Å |
| 24 | T | 94.5 | Very high | 90.6 | Very high | 28 Ų | 28 | 60.5 Ų | 60.5 | 17% | 0.172 | 29% | 0.293 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.3 | 131.7 | 177.9 | -55.5 | 0 | 0 | 0 | 0 | 109.9 | I83 H84 E110 | T24-I83 HydrophobicContact CG2-CG2 3.51Å; T24-H84 WeakPolarHBondContact CA-O 3.45Å; T24-E110 PolarHBondContact N-O 3.18Å; T24-E110 PolarHBondContact O-N 2.87Å |
| 25 | S | 95.3 | Very high | 91.6 | Very high | 7 Ų | 7 | 56.1 Ų | 56.1 | 5% | 0.049 | 27% | 0.266 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -153.7 | 163.6 | 175.4 | -170 | 0 | 0 | 0 | 0 | 112.5 | N27 H84 G108 | S25-N27 PolarHBondContact OG-N 2.81Å; S25-N27 PolarHBondContact OG-O 2.83Å; S25-H84 PolarHBondContact N-O 3.31Å; S25-H84 WeakPolarHBondContact O-CB 3.35Å; S25-H84 PolarHBondContact O-N 3.47Å; S25-G108 WeakPolarHBondContact CB-O 3.12Å; S25-G108 PolarHBondContact OG-O 2.88Å |
| 26 | R | 94.6 | Very high | 92.2 | Very high | 174 Ų | 174 | 55.9 Ų | 55.9 | 66% | 0.657 | 26% | 0.264 | S | S | * | . | S | Bend | trans | -89 | -24.9 | 168.5 | -63.8 | -178.7 | -67.8 | 137.6 | -2.2 | 112.4 | ||
| 27 | N | 93.6 | Very high | 92.5 | Very high | 85 Ų | 85 | 52.1 Ų | 52.1 | 46% | 0.455 | 25% | 0.246 | S | C | . | . | trans | -103.4 | 121.6 | -178.2 | -175.4 | -5.9 | 0 | 0 | 0 | 110.2 | S25 K29 S30 L31 | S25-N27 PolarHBondContact OG-N 2.81Å; S25-N27 PolarHBondContact OG-O 2.83Å; N27-K29 PolarHBondContact OD1-N 2.84Å; N27-S30 WeakPolarHBondContact CB-OG 3.43Å; N27-S30 PolarHBondContact O-OG 3.13Å; N27-L31 VanDerWaalsContact O-CB 3.26Å; N27-L31 WeakPolarHBondContact O-CB 3.47Å; N27-L31 PolarHBondContact O-N 3.34Å | ||
| 28 | V | 93.3 | Very high | 92.6 | Very high | 59 Ų | 59 | 49.8 Ų | 49.8 | 36% | 0.358 | 24% | 0.235 | S | C | . | . | H | α-helix | trans | -69.1 | -38 | -179.3 | -178.4 | 0 | 0 | 0 | 0 | 111.5 | L31 E32 H84 | V28-L31 PolarHBondContact O-N 3.14Å; V28-E32 HydrophobicContact CG1-CG 3.81Å; V28-E32 WeakPolarHBondContact O-CB 3.44Å; V28-E32 VanDerWaalsContact O-CG 3.25Å; V28-E32 WeakPolarHBondContact O-CG 3.49Å; V28-E32 PolarHBondContact O-N 3.38Å; V28-H84 VanDerWaalsContact CG2-CD2 3.44Å; V28-H84 WeakPolarHBondContact CG2-CD2 3.4Å; V28-H84 VanDerWaalsContact CG2-NE2 3.26Å; V28-H84 WeakPolarHBondContact CG2-NE2 3.35Å |
| 29 | K | 92.9 | Very high | 92.8 | Very high | 178 Ų | 178 | 45.7 Ų | 45.7 | 77% | 0.774 | 22% | 0.221 | S | C | * | . | H | α-helix | trans | -65.2 | -47.5 | -172.8 | -67.5 | -175.3 | 178.4 | -177.6 | 0 | 111.8 | N27 K33 | N27-K29 PolarHBondContact OD1-N 2.84Å; K29-K33 WeakPolarHBondContact O-CB 3.44Å; K29-K33 PolarHBondContact O-N 3.49Å; K29-K33 VanDerWaalsContact O-N 3.1Å |
| 30 | S | 92.8 | Very high | 92.8 | Very high | 12 Ų | 12 | 51.8 Ų | 51.8 | 8% | 0.084 | 24% | 0.244 | C | C | . | . | H | α-helix | trans | -65.8 | -41.9 | 175.9 | 50.7 | 0 | 0 | 0 | 0 | 111.5 | N27 E32 K33 V34 E106 | N27-S30 WeakPolarHBondContact CB-OG 3.43Å; N27-S30 PolarHBondContact O-OG 3.13Å; S30-E32 PolarHBondContact O-N 2.76Å; S30-K33 PolarHBondContact O-N 2.8Å; S30-V34 WeakPolarHBondContact O-CG2 3.43Å; S30-V34 PolarHBondContact O-N 3.26Å; S30-E106 WeakPolarHBondContact CA-OE2 3.48Å; S30-E106 WeakPolarHBondContact CB-OE2 3Å |
| 31 | L | 92.9 | Very high | 92.7 | Very high | 0 Ų | 0 | 47.7 Ų | 47.7 | 0% | 0 | 23% | 0.232 | C | C | . | . | H | α-helix | trans | -61 | -43.6 | 178.5 | -176 | 60.9 | 0 | 0 | 0 | 113.1 | L23 N27 V28 C35 H84 R86 V109 | L23-L31 HydrophobicContact CB-CD1 3.53Å; L23-L31 HydrophobicContact CD1-CD1 4.48Å; N27-L31 VanDerWaalsContact O-CB 3.26Å; N27-L31 WeakPolarHBondContact O-CB 3.47Å; N27-L31 PolarHBondContact O-N 3.34Å; V28-L31 PolarHBondContact O-N 3.14Å; L31-C35 WeakPolarHBondContact O-CB 3.37Å; L31-C35 PolarHBondContact O-N 3.01Å; L31-H84 HydrophobicContact CD2-CB 3.5Å; L31-H84 WeakPolarHBondContact CD2-O 3.46Å; L31-R86 VanDerWaalsContact CD2-CZ 3.49Å; L31-R86 HydrophobicContact CG-CG 4.47Å; L31-V109 HydrophobicContact CD1-CG1 3.97Å |
| 32 | E | 92.9 | Very high | 92.6 | Very high | 51 Ų | 51 | 47.7 Ų | 47.7 | 24% | 0.238 | 23% | 0.232 | C | C | . | . | H | α-helix | trans | -69.9 | -35.9 | 177.8 | -65.5 | -65.4 | 145.6 | 0 | 0 | 111.7 | V28 S30 C35 A36 R54 R86 | V28-E32 HydrophobicContact CG1-CG 3.81Å; V28-E32 WeakPolarHBondContact O-CB 3.44Å; V28-E32 VanDerWaalsContact O-CG 3.25Å; V28-E32 WeakPolarHBondContact O-CG 3.49Å; V28-E32 PolarHBondContact O-N 3.38Å; S30-E32 PolarHBondContact O-N 2.76Å; E32-C35 PolarHBondContact O-N 2.82Å; E32-A36 WeakPolarHBondContact O-CB 3.49Å; E32-A36 PolarHBondContact O-N 3.45Å; E32-R54 IonicContact OE1-NE 3.57Å; E32-R54 PolarHBondContact OE1-NE 3.4Å; E32-R54 IonicContact OE1-NH2 2.76Å; E32-R54 IonicContact OE2-CZ 3.11Å; E32-R54 IonicContact OE2-NE 3.5Å; E32-R54 IonicContact OE2-NH2 3.38Å; E32-R54 PolarHBondContact OE2-NH2 3.34Å; E32-R86 IonicContact OE1-CZ 3.75Å; E32-R86 IonicContact OE1-NE 3Å; E32-R86 PolarHBondContact OE1-NE 2.88Å; E32-R86 IonicContact OE1-NH2 3.51Å; E32-R86 PolarHBondContact OE1-NH2 3.44Å |
| 33 | K | 92.5 | Very high | 92.4 | Very high | 112 Ų | 112 | 54 Ų | 54 | 49% | 0.487 | 26% | 0.259 | S | S | . | . | H | α-helix | trans | -62.1 | -54.6 | 173.9 | 180 | -176.5 | 164.8 | -161.5 | 0 | 111.4 | K29 S30 C35 A36 D37 E106 | K29-K33 WeakPolarHBondContact O-CB 3.44Å; K29-K33 PolarHBondContact O-N 3.49Å; K29-K33 VanDerWaalsContact O-N 3.1Å; S30-K33 PolarHBondContact O-N 2.8Å; K33-C35 VanDerWaalsContact C-N 3.27Å; K33-C35 PolarHBondContact O-N 3.25Å; K33-A36 PolarHBondContact O-N 2.95Å; K33-A36 VanDerWaalsContact O-N 3.1Å; K33-D37 PolarHBondContact O-N 2.96Å; K33-E106 IonicContact NZ-OE1 2.8Å; K33-E106 PolarHBondContact NZ-OE1 2.8Å |
| 34 | V | 92.5 | Very high | 92.3 | Very high | 3 Ų | 3 | 59.9 Ų | 59.9 | 2% | 0.018 | 29% | 0.287 | C | S | . | . | H | α-helix | trans | -57.6 | -42.7 | 177.1 | 173.3 | 0 | 0 | 0 | 0 | 110.9 | L23 S30 A36 D37 L38 S104 E106 V109 | L23-V34 HydrophobicContact CD1-CG1 4.32Å; L23-V34 HydrophobicContact CD2-CG1 4.33Å; S30-V34 WeakPolarHBondContact O-CG2 3.43Å; S30-V34 PolarHBondContact O-N 3.26Å; V34-A36 PolarHBondContact O-N 3.46Å; V34-D37 PolarHBondContact O-N 3.34Å; V34-L38 WeakPolarHBondContact O-CB 3.37Å; V34-L38 PolarHBondContact O-N 2.82Å; V34-S104 WeakPolarHBondContact CG2-O 3.45Å; V34-E106 HydrophobicContact CG2-CB 3.55Å; V34-V109 HydrophobicContact CG1-CG1 4.44Å; V34-V109 HydrophobicContact CG2-CG2 4.19Å |
| 35 | C | 92.3 | Very high | 92 | Very high | 2 Ų | 2 | 62 Ų | 62 | 1% | 0.014 | 29% | 0.294 | C | S | . | . | H | α-helix | trans | -60.4 | -44.6 | 176.7 | -176.3 | 0 | 0 | 0 | 0 | 112.4 | L23 L31 E32 K33 I39 P52 | L23-C35 HydrophobicContact CD1-CB 4.07Å; L31-C35 WeakPolarHBondContact O-CB 3.37Å; L31-C35 PolarHBondContact O-N 3.01Å; E32-C35 PolarHBondContact O-N 2.82Å; K33-C35 VanDerWaalsContact C-N 3.27Å; K33-C35 PolarHBondContact O-N 3.25Å; C35-I39 VanDerWaalsContact O-CD1 3.27Å; C35-I39 WeakPolarHBondContact O-CD1 3.32Å; C35-I39 VanDerWaalsContact O-CG1 3.24Å; C35-I39 WeakPolarHBondContact O-CG1 3.24Å; C35-I39 PolarHBondContact O-N 3.46Å; C35-I39 VanDerWaalsContact O-N 3.16Å; C35-P52 WeakPolarHBondContact SG-CB 3.32Å |
| 36 | A | 92 | Very high | 91.6 | Very high | 57 Ų | 57 | 68.7 Ų | 68.7 | 47% | 0.471 | 33% | 0.329 | S | S | . | . | H | α-helix | trans | -66.6 | -43.6 | 178.8 | 0 | 0 | 0 | 0 | 0 | 111.7 | E32 K33 V34 L38 I39 R40 | E32-A36 WeakPolarHBondContact O-CB 3.49Å; E32-A36 PolarHBondContact O-N 3.45Å; K33-A36 PolarHBondContact O-N 2.95Å; K33-A36 VanDerWaalsContact O-N 3.1Å; V34-A36 PolarHBondContact O-N 3.46Å; A36-L38 VanDerWaalsContact C-N 3.34Å; A36-L38 PolarHBondContact O-N 3.12Å; A36-I39 PolarHBondContact O-N 3.34Å; A36-R40 WeakPolarHBondContact O-CB 3.35Å; A36-R40 PolarHBondContact O-N 3.28Å |
| 37 | D | 91.4 | Very high | 91.3 | Very high | 53 Ų | 53 | 61.8 Ų | 61.8 | 28% | 0.283 | 31% | 0.305 | S | S | . | . | H | α-helix | trans | -62.9 | -40 | 177.2 | -78 | -37.1 | 0 | 0 | 0 | 112 | K33 V34 R40 G41 | K33-D37 PolarHBondContact O-N 2.96Å; V34-D37 PolarHBondContact O-N 3.34Å; D37-R40 PolarHBondContact O-N 3.05Å; D37-R40 IonicContact OD1-CZ 3.71Å; D37-R40 IonicContact OD1-NE 3.97Å; D37-R40 IonicContact OD1-NH2 2.92Å; D37-R40 PolarHBondContact OD1-NH2 3.3Å; D37-G41 PolarHBondContact O-N 3.22Å |
| 38 | L | 90.4 | Very high | 91 | Very high | 2 Ų | 2 | 65.7 Ų | 65.7 | 1% | 0.01 | 32% | 0.318 | C | S | . | . | H | α-helix | trans | -66.1 | -41.1 | 178.3 | -154.1 | 106.8 | 0 | 0 | 0 | 112 | I21 V34 A36 A42 I88 I100 T101 | I21-L38 HydrophobicContact CD1-CD2 3.67Å; I21-L38 HydrophobicContact CG2-CD2 4.31Å; V34-L38 WeakPolarHBondContact O-CB 3.37Å; V34-L38 PolarHBondContact O-N 2.82Å; A36-L38 VanDerWaalsContact C-N 3.34Å; A36-L38 PolarHBondContact O-N 3.12Å; L38-A42 VanDerWaalsContact O-CB 3.32Å; L38-A42 WeakPolarHBondContact O-CB 3.48Å; L38-A42 PolarHBondContact O-N 3.33Å; L38-I88 HydrophobicContact CB-CD1 4.36Å; L38-I88 HydrophobicContact CD2-CD1 3.63Å; L38-I88 HydrophobicContact CD2-CG2 4.48Å; L38-I100 HydrophobicContact CD1-CG2 3.98Å; L38-I100 HydrophobicContact CG-CG2 3.99Å; L38-T101 HydrophobicContact CD1-CG2 4.28Å |
| 39 | I | 91.6 | Very high | 90.9 | Very high | 26 Ų | 26 | 64.8 Ų | 64.8 | 13% | 0.133 | 31% | 0.312 | C | S | . | . | H | α-helix | trans | -66.1 | -41.3 | 175.7 | -66.9 | 159.4 | 0 | 0 | 0 | 110.5 | C35 A36 A42 K43 P52 I88 | C35-I39 VanDerWaalsContact O-CD1 3.27Å; C35-I39 WeakPolarHBondContact O-CD1 3.32Å; C35-I39 VanDerWaalsContact O-CG1 3.24Å; C35-I39 WeakPolarHBondContact O-CG1 3.24Å; C35-I39 PolarHBondContact O-N 3.46Å; C35-I39 VanDerWaalsContact O-N 3.16Å; A36-I39 PolarHBondContact O-N 3.34Å; I39-A42 PolarHBondContact O-N 3.27Å; I39-K43 HydrophobicContact CG2-CD 4.18Å; I39-K43 WeakPolarHBondContact O-CB 3.39Å; I39-K43 VanDerWaalsContact O-CG 3.32Å; I39-K43 WeakPolarHBondContact O-CG 3.35Å; I39-K43 PolarHBondContact O-N 2.88Å; I39-P52 HydrophobicContact CD1-CB 4.02Å; I39-P52 VanDerWaalsContact CD1-CD 3.47Å; I39-P52 HydrophobicContact CD1-CG 3.53Å; I39-I88 HydrophobicContact CG1-CD1 4.3Å |
| 40 | R | 91.9 | Very high | 90.7 | Very high | 131 Ų | 131 | 61.9 Ų | 61.9 | 49% | 0.494 | 30% | 0.3 | S | S | . | . | H | α-helix | trans | -62.3 | -50.3 | 176.7 | 179.3 | 175.5 | 60.5 | 84.9 | -3 | 110.9 | A36 D37 A42 K43 E44 | A36-R40 WeakPolarHBondContact O-CB 3.35Å; A36-R40 PolarHBondContact O-N 3.28Å; D37-R40 PolarHBondContact O-N 3.05Å; D37-R40 IonicContact OD1-CZ 3.71Å; D37-R40 IonicContact OD1-NE 3.97Å; D37-R40 IonicContact OD1-NH2 2.92Å; D37-R40 PolarHBondContact OD1-NH2 3.3Å; R40-A42 VanDerWaalsContact C-N 3.3Å; R40-A42 PolarHBondContact O-N 3.16Å; R40-K43 PolarHBondContact O-N 3.04Å; R40-K43 VanDerWaalsContact O-N 3.11Å; R40-E44 HydrophobicContact CG-CG 4.48Å; R40-E44 VanDerWaalsContact CG-OE1 3.28Å; R40-E44 WeakPolarHBondContact CG-OE1 3.32Å; R40-E44 IonicContact CZ-OE1 3.73Å; R40-E44 IonicContact NH1-OE1 2.84Å; R40-E44 PolarHBondContact NH1-OE1 3.45Å; R40-E44 IonicContact NH1-OE2 3.28Å; R40-E44 WeakPolarHBondContact O-CG 3.44Å; R40-E44 PolarHBondContact O-N 2.85Å |
| 41 | G | 89.9 | Confident | 90.3 | Very high | 13 Ų | 13 | 63.3 Ų | 63.3 | 13% | 0.134 | 32% | 0.317 | C | S | . | . | H | α-helix | trans | -62 | -34.8 | 177.7 | 0 | 0 | 0 | 0 | 0 | 113.4 | D37 K45 | D37-G41 PolarHBondContact O-N 3.22Å; G41-K45 WeakPolarHBondContact O-CG 3.37Å; G41-K45 PolarHBondContact O-N 2.87Å |
| 42 | A | 90 | Very high | 90.3 | Very high | 1 Ų | 1 | 65 Ų | 65 | 1% | 0.008 | 33% | 0.327 | C | S | . | . | H | α-helix | trans | -69.8 | -37.1 | 174.1 | 0 | 0 | 0 | 0 | 0 | 112.6 | L38 I39 R40 K45 N46 L47 V49 L90 I100 | L38-A42 VanDerWaalsContact O-CB 3.32Å; L38-A42 WeakPolarHBondContact O-CB 3.48Å; L38-A42 PolarHBondContact O-N 3.33Å; I39-A42 PolarHBondContact O-N 3.27Å; R40-A42 VanDerWaalsContact C-N 3.3Å; R40-A42 PolarHBondContact O-N 3.16Å; A42-K45 PolarHBondContact O-N 3.47Å; A42-N46 PolarHBondContact O-N 2.8Å; A42-L47 WeakPolarHBondContact O-CB 3.44Å; A42-L47 PolarHBondContact O-N 3.35Å; A42-V49 HydrophobicContact CB-CG2 3.48Å; A42-V49 VanDerWaalsContact CB-CG2 3.48Å; A42-L90 HydrophobicContact CB-CD2 4.04Å; A42-I100 HydrophobicContact CB-CD1 4.47Å |
| 43 | K | 90 | Very high | 90.4 | Very high | 140 Ų | 140 | 66.4 Ų | 66.4 | 61% | 0.609 | 34% | 0.339 | S | S | * | . | H | α-helix | trans | -69.6 | -40.1 | 174.8 | -75.1 | 177.9 | 178.6 | -175.5 | 0 | 112.7 | I39 R40 K45 N46 | I39-K43 HydrophobicContact CG2-CD 4.18Å; I39-K43 WeakPolarHBondContact O-CB 3.39Å; I39-K43 VanDerWaalsContact O-CG 3.32Å; I39-K43 WeakPolarHBondContact O-CG 3.35Å; I39-K43 PolarHBondContact O-N 2.88Å; R40-K43 PolarHBondContact O-N 3.04Å; R40-K43 VanDerWaalsContact O-N 3.11Å; K43-K45 PolarHBondContact O-N 2.77Å; K43-N46 PolarHBondContact O-N 2.88Å |
| 44 | E | 90.9 | Very high | 90.5 | Very high | 123 Ų | 123 | 67.9 Ų | 67.9 | 58% | 0.575 | 34% | 0.342 | S | S | * | . | H | α-helix | trans | -57.9 | -33.8 | 175.1 | -74.7 | 169.7 | -169.3 | 0 | 0 | 111.6 | R40 N46 | R40-E44 HydrophobicContact CG-CG 4.48Å; R40-E44 VanDerWaalsContact CG-OE1 3.28Å; R40-E44 WeakPolarHBondContact CG-OE1 3.32Å; R40-E44 IonicContact CZ-OE1 3.73Å; R40-E44 IonicContact NH1-OE1 2.84Å; R40-E44 PolarHBondContact NH1-OE1 3.45Å; R40-E44 IonicContact NH1-OE2 3.28Å; R40-E44 WeakPolarHBondContact O-CG 3.44Å; R40-E44 PolarHBondContact O-N 2.85Å; E44-N46 VanDerWaalsContact C-N 3.32Å |
| 45 | K | 88.1 | Confident | 90.6 | Very high | 73 Ų | 73 | 71.7 Ų | 71.7 | 32% | 0.317 | 36% | 0.36 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -88.9 | 12 | 175.2 | -60.4 | -169.4 | -166.8 | -177.9 | 0 | 114.4 | G41 A42 K43 L47 I96 I100 | G41-K45 WeakPolarHBondContact O-CG 3.37Å; G41-K45 PolarHBondContact O-N 2.87Å; A42-K45 PolarHBondContact O-N 3.47Å; K43-K45 PolarHBondContact O-N 2.77Å; K45-L47 VanDerWaalsContact C-N 3.26Å; K45-L47 HydrophobicContact CB-CG 4.28Å; K45-L47 PolarHBondContact O-N 3.16Å; K45-I96 HydrophobicContact CD-CG2 3.46Å; K45-I96 VanDerWaalsContact CD-CG2 3.46Å; K45-I100 HydrophobicContact CD-CD1 4.09Å; K45-I100 HydrophobicContact CD-CG1 4.18Å |
| 46 | N | 87.3 | Confident | 90.9 | Very high | 148 Ų | 148 | 76.6 Ų | 76.6 | 79% | 0.791 | 39% | 0.392 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 56.6 | 31.3 | 179.7 | -61.3 | -63.7 | 0 | 0 | 0 | 114.9 | A42 K43 E44 | A42-N46 PolarHBondContact O-N 2.8Å; K43-N46 PolarHBondContact O-N 2.88Å; E44-N46 VanDerWaalsContact C-N 3.32Å |
| 47 | L | 87.4 | Confident | 91 | Very high | 28 Ų | 28 | 76.7 Ų | 76.7 | 15% | 0.147 | 39% | 0.387 | C | S | . | . | trans | -83 | 147.6 | 177.2 | -61.3 | 177.4 | 0 | 0 | 0 | 111.7 | A42 K45 V49 I96 I100 | A42-L47 WeakPolarHBondContact O-CB 3.44Å; A42-L47 PolarHBondContact O-N 3.35Å; K45-L47 VanDerWaalsContact C-N 3.26Å; K45-L47 HydrophobicContact CB-CG 4.28Å; K45-L47 PolarHBondContact O-N 3.16Å; L47-V49 PolarHBondContact O-N 2.88Å; L47-I96 HydrophobicContact CD1-CG2 3.99Å; L47-I100 HydrophobicContact CD1-CD1 4.07Å | ||
| 48 | K | 88 | Confident | 91.3 | Very high | 168 Ų | 168 | 81.2 Ų | 81.2 | 73% | 0.73 | 40% | 0.404 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -77.2 | 109.2 | 172.1 | -69.5 | -177.2 | -178.1 | 176 | 0 | 109.5 | H91 | K48-H91 PolarHBondContact O-N 2.97Å |
| 49 | V | 91 | Very high | 91.5 | Very high | 39 Ų | 39 | 84.3 Ų | 84.3 | 24% | 0.236 | 42% | 0.423 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.4 | 127.5 | 179.8 | -171.2 | 0 | 0 | 0 | 0 | 110.2 | A42 L47 I88 L90 | A42-V49 HydrophobicContact CB-CG2 3.48Å; A42-V49 VanDerWaalsContact CB-CG2 3.48Å; L47-V49 PolarHBondContact O-N 2.88Å; V49-I88 HydrophobicContact CG1-CG2 3.88Å; V49-L90 HydrophobicContact CB-CD2 3.94Å; V49-L90 HydrophobicContact CG1-CD2 3.78Å; V49-L90 HydrophobicContact CG2-CD2 3.54Å |
| 50 | K | 89.5 | Confident | 91.7 | Very high | 117 Ų | 117 | 87.5 Ų | 87.5 | 51% | 0.509 | 44% | 0.44 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.5 | 123.1 | 158.5 | -73.6 | -177.2 | 178.8 | -178.2 | 0 | 107.5 | D89 | K50-D89 HydrophobicContact CB-CB 4.04Å; K50-D89 HydrophobicContact CD-CB 4.5Å; K50-D89 PolarHBondContact N-O 2.95Å; K50-D89 PolarHBondContact O-N 2.99Å |
| 51 | G | 83.4 | Confident | 92 | Very high | 43 Ų | 43 | 90 Ų | 90 | 44% | 0.443 | 45% | 0.449 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -56 | 173.1 | -169 | 0 | 0 | 0 | 0 | 0 | 114.4 | V53 | G51-V53 PolarHBondContact O-N 3.11Å |
| 52 | P | 92.1 | Very high | 92.3 | Very high | 35 Ų | 35 | 94.6 Ų | 94.6 | 23% | 0.227 | 47% | 0.47 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -73.8 | 107.7 | -169.8 | 30.7 | -33 | 0 | 0 | 0 | 110.7 | C35 I39 R54 L87 I88 | C35-P52 WeakPolarHBondContact SG-CB 3.32Å; I39-P52 HydrophobicContact CD1-CB 4.02Å; I39-P52 VanDerWaalsContact CD1-CD 3.47Å; I39-P52 HydrophobicContact CD1-CG 3.53Å; P52-R54 PolarHBondContact O-N 2.84Å; P52-L87 CarbonylContact C-O 3.53Å; P52-L87 WeakPolarHBondContact CA-O 3.47Å; P52-I88 HydrophobicContact CB-CG1 4.17Å |
| 53 | V | 95.3 | Very high | 92.6 | Very high | 81 Ų | 81 | 98.1 Ų | 98.1 | 49% | 0.491 | 49% | 0.491 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -76.3 | 113.3 | 174.7 | -178 | 0 | 0 | 0 | 0 | 107.9 | G51 M55 R86 L87 | G51-V53 PolarHBondContact O-N 3.11Å; V53-M55 PolarHBondContact O-N 3.34Å; V53-R86 CarbonylContact O-C 3.57Å; V53-R86 WeakPolarHBondContact O-CA 3.21Å; V53-L87 HydrophobicContact CB-CB 4.33Å; V53-L87 PolarHBondContact N-O 2.98Å; V53-L87 PolarHBondContact O-N 3.45Å |
| 54 | R | 95.3 | Very high | 92.9 | Very high | 142 Ų | 142 | 94.2 Ų | 94.2 | 54% | 0.536 | 48% | 0.479 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -82.7 | 115.4 | 176.7 | -68.2 | -177.8 | 178.2 | 82 | -2.5 | 109.1 | E32 P52 R86 | E32-R54 IonicContact OE1-NE 3.57Å; E32-R54 PolarHBondContact OE1-NE 3.4Å; E32-R54 IonicContact OE1-NH2 2.76Å; E32-R54 IonicContact OE2-CZ 3.11Å; E32-R54 IonicContact OE2-NE 3.5Å; E32-R54 IonicContact OE2-NH2 3.38Å; E32-R54 PolarHBondContact OE2-NH2 3.34Å; P52-R54 PolarHBondContact O-N 2.84Å; R54-R86 HydrophobicContact CG-CG 4.36Å |
| 55 | M | 95.7 | Very high | 93 | Very high | 83 Ų | 83 | 92.3 Ų | 92.3 | 41% | 0.409 | 47% | 0.467 | S | S | . | . | P | Polyproline II helix | trans | -79.7 | 153.3 | 174 | -67.9 | -65.7 | -74.8 | 0 | 0 | 110.6 | V53 T57 K85 L87 | V53-M55 PolarHBondContact O-N 3.34Å; M55-T57 PolarHBondContact O-N 3.34Å; M55-K85 HydrophobicContact CB-CB 3.99Å; M55-K85 HydrophobicContact CB-CG 4.26Å; M55-K85 WeakPolarHBondContact CB-O 3.1Å; M55-K85 HydrophobicContact CG-CB 4.47Å; M55-K85 HydrophobicContact CG-CD 4.34Å; M55-K85 HydrophobicContact CG-CG 4.19Å; M55-K85 PolarHBondContact N-O 2.92Å; M55-L87 HydrophobicContact CG-CD1 3.18Å; M55-L87 HydrophobicContact SD-CD1 3.83Å |
| 56 | P | 96.6 | Very high | 93.3 | Very high | 105 Ų | 105 | 94.5 Ų | 94.5 | 68% | 0.682 | 48% | 0.476 | S | S | * | . | P | Polyproline II helix | trans | -52.1 | 136.3 | 172.3 | -26.4 | 34.8 | 0 | 0 | 0 | 111.6 | K58 | P56-K58 PolarHBondContact O-N 3.35Š|
| 57 | T | 96.1 | Very high | 93.5 | Very high | 59 Ų | 59 | 89 Ų | 89 | 36% | 0.362 | 45% | 0.449 | S | S | . | . | P | Polyproline II helix | trans | -72.3 | 123.4 | 179.3 | -61.9 | 0 | 0 | 0 | 0 | 109.3 | M55 R82 I83 H84 | M55-T57 PolarHBondContact O-N 3.34Å; T57-R82 HydrophobicContact CG2-CB 3.89Å; T57-R82 HydrophobicContact CG2-CG 4.34Å; T57-I83 WeakPolarHBondContact CA-O 3.27Å; T57-I83 WeakPolarHBondContact CG2-O 3.41Å; T57-H84 WeakPolarHBondContact CG2-CE1 3.34Å; T57-H84 WeakPolarHBondContact CG2-ND1 3.48Å; T57-H84 PolarHBondContact OG1-CE1 2.96Å; T57-H84 PolarHBondContact OG1-ND1 2.91Å |
| 58 | K | 95.8 | Very high | 93.7 | Very high | 149 Ų | 149 | 94.1 Ų | 94.1 | 65% | 0.648 | 48% | 0.483 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -81.3 | 123.2 | 174.6 | -66 | -176 | 178.2 | -175.2 | 0 | 108.6 | P56 R82 I83 | P56-K58 PolarHBondContact O-N 3.35Å; K58-R82 WeakPolarHBondContact O-CA 3.38Å; K58-I83 HydrophobicContact CB-CB 4.44Å; K58-I83 PolarHBondContact N-O 3.15Å; K58-I83 PolarHBondContact O-N 2.88Å |
| 59 | T | 96.4 | Very high | 93.7 | Very high | 66 Ų | 66 | 90.9 Ų | 90.9 | 41% | 0.405 | 48% | 0.481 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.9 | 108 | 177.2 | -52.8 | 0 | 0 | 0 | 0 | 109 | R61 Q80 R82 | T59-R61 HydrophobicContact CG2-CG 3.97Å; T59-Q80 HydrophobicContact CG2-CB 4.31Å; T59-R82 HydrophobicContact CG2-CG 4.3Å |
| 60 | L | 95.8 | Very high | 93.3 | Very high | 94 Ų | 94 | 90.9 Ų | 90.9 | 49% | 0.492 | 49% | 0.489 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.7 | 127.8 | 172.4 | -56 | 178.1 | 0 | 0 | 0 | 108.1 | Q80 M81 I83 | L60-Q80 CarbonylContact O-C 3.57Å; L60-Q80 VanDerWaalsContact O-CA 3.27Å; L60-Q80 WeakPolarHBondContact O-CA 3.28Å; L60-M81 HydrophobicContact CB-CB 4.36Å; L60-M81 PolarHBondContact N-O 3.37Å; L60-M81 PolarHBondContact O-N 3.4Å; L60-I83 HydrophobicContact CD1-CD1 3.82Å; L60-I83 HydrophobicContact CG-CD1 4.44Å |
| 61 | R | 97.3 | Very high | 93.1 | Very high | 182 Ų | 182 | 92.7 Ų | 92.7 | 69% | 0.687 | 50% | 0.499 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -124.1 | 127 | -176.9 | -61.4 | 177.3 | 69.5 | 150.7 | -0.2 | 108.9 | T59 F79 | T59-R61 HydrophobicContact CG2-CG 3.97Å; R61-F79 WeakPolarHBondContact CA-O 3.49Å |
| 62 | I | 97.2 | Very high | 93.3 | Very high | 111 Ų | 111 | 93.3 Ų | 93.3 | 57% | 0.569 | 51% | 0.505 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -123.2 | 125.2 | 172.9 | -61.9 | 177.6 | 0 | 0 | 0 | 106.8 | T64 F79 | I62-T64 HydrophobicContact CG2-CG2 3.83Å; I62-F79 PolarHBondContact N-O 2.95Å; I62-F79 PolarHBondContact O-N 3.32Å |
| 63 | T | 96.5 | Very high | 93.3 | Very high | 74 Ų | 74 | 96.3 Ų | 96.3 | 45% | 0.454 | 53% | 0.527 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -117 | 117.2 | 177 | -55.1 | 0 | 0 | 0 | 0 | 108.7 | W76 D77 R78 | T63-W76 HydrophobicContact CG2-CB 4.13Å; T63-W76 HydrophobicContact CG2-CD2 4.38Å; T63-W76 HydrophobicContact CG2-CE3 3.86Å; T63-D77 VanDerWaalsContact CA-O 3.26Å; T63-D77 WeakPolarHBondContact CA-O 3.36Å; T63-R78 HydrophobicContact CG2-CG 4.08Å |
| 64 | T | 94.9 | Very high | 93.1 | Very high | 58 Ų | 58 | 101.2 Ų | 101.2 | 36% | 0.356 | 54% | 0.541 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.9 | 154.9 | -177.7 | 53.9 | 0 | 0 | 0 | 0 | 110.1 | I62 W76 D77 | I62-T64 HydrophobicContact CG2-CG2 3.83Å; T64-W76 VanDerWaalsContact C-CE3 3.4Å; T64-W76 CarbonylContact O-C 3.59Å; T64-W76 WeakPolarHBondContact O-CA 3.47Å; T64-D77 PolarHBondContact N-O 2.84Å; T64-D77 PolarHBondContact O-N 3.1Å |
| 65 | R | 93.9 | Very high | 93 | Very high | 84 Ų | 84 | 97.3 Ų | 97.3 | 32% | 0.317 | 53% | 0.533 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -64.7 | 142.8 | 167.3 | -78.3 | -167.5 | 72.8 | -179.7 | -0.3 | 108.7 | T67 G70 W76 | R65-T67 VanDerWaalsContact C-N 3.32Å; R65-T67 HydrophobicContact CB-CG2 4.43Å; R65-T67 VanDerWaalsContact CZ-CG2 3.43Å; R65-G70 VanDerWaalsContact CZ-O 3.29Å; R65-G70 VanDerWaalsContact NH1-CA 3.34Å; R65-G70 PolarHBondContact NH1-O 2.91Å; R65-G70 PolarHBondContact NH2-O 2.88Å; R65-W76 HydrophobicContact CG-CD2 4.22Å; R65-W76 HydrophobicContact CG-CE3 3.99Å; R65-W76 HydrophobicContact CG-CH2 3.73Å; R65-W76 HydrophobicContact CG-CZ2 3.95Å; R65-W76 HydrophobicContact CG-CZ3 3.74Å |
| 66 | K | 93.4 | Very high | 93 | Very high | 118 Ų | 118 | 99.6 Ų | 99.6 | 51% | 0.513 | 54% | 0.538 | S | S | . | . | S | Bend | trans | -67 | -37 | 173.1 | -65.5 | -165.3 | 166.6 | 179.9 | 0 | 112.1 | T75 D77 | K66-T75 PolarHBondContact N-O 3.47Å; K66-D77 WeakPolarHBondContact CE-OD1 3.37Å; K66-D77 HydrophobicContact CG-CB 4.44Å; K66-D77 IonicContact NZ-OD1 3.82Å |
| 67 | T | 91.3 | Very high | 92.9 | Very high | 34 Ų | 34 | 97.1 Ų | 97.1 | 21% | 0.209 | 52% | 0.519 | C | S | . | . | trans | -84.5 | 139 | -176.2 | 178.7 | 0 | 0 | 0 | 0 | 111.6 | R65 E71 | R65-T67 VanDerWaalsContact C-N 3.32Å; R65-T67 HydrophobicContact CB-CG2 4.43Å; R65-T67 VanDerWaalsContact CZ-CG2 3.43Å; T67-E71 PolarHBondContact OG1-O 3.32Å | ||
| 68 | P | 92.4 | Very high | 92.9 | Very high | 135 Ų | 135 | 103.3 Ų | 103.3 | 88% | 0.877 | 54% | 0.535 | S | S | * | . | S | Bend | trans | -81.1 | -29.2 | 176.5 | 32 | -34.9 | 0 | 0 | 0 | 113.5 | ||
| 69 | C | 87.4 | Confident | 93 | Very high | 100 Ų | 100 | 101.9 Ų | 101.9 | 68% | 0.676 | 53% | 0.53 | S | S | * | . | S | Bend | trans | -104 | 4.3 | -167.1 | 56.6 | 0 | 0 | 0 | 0 | 114.7 | E71 | C69-E71 PolarHBondContact O-N 2.97Å; C69-E71 VanDerWaalsContact O-N 3.11Å |
| 70 | G | 82.7 | Confident | 93 | Very high | 39 Ų | 39 | 104.3 Ų | 104.3 | 40% | 0.402 | 54% | 0.536 | S | S | . | . | S | Bend | trans | 81.4 | -20.4 | 175.9 | 0 | 0 | 0 | 0 | 0 | 115.4 | R65 | R65-G70 VanDerWaalsContact CZ-O 3.29Å; R65-G70 VanDerWaalsContact NH1-CA 3.34Å; R65-G70 PolarHBondContact NH1-O 2.91Å; R65-G70 PolarHBondContact NH2-O 2.88Å |
| 71 | E | 86.4 | Confident | 93.1 | Very high | 155 Ų | 155 | 104.1 Ų | 104.1 | 72% | 0.724 | 53% | 0.534 | S | S | * | . | trans | -80.4 | 158 | 175.5 | -87.1 | -62.1 | 158.7 | 0 | 0 | 113.8 | T67 C69 | T67-E71 PolarHBondContact OG1-O 3.32Å; C69-E71 PolarHBondContact O-N 2.97Å; C69-E71 VanDerWaalsContact O-N 3.11Å | ||
| 72 | G | 87.8 | Confident | 93 | Very high | 55 Ų | 55 | 101.5 Ų | 101.5 | 57% | 0.567 | 52% | 0.524 | S | S | * | . | S | Bend | trans | 86.6 | -168.4 | 179.8 | 0 | 0 | 0 | 0 | 0 | 115.8 | ||
| 73 | S | 90.7 | Very high | 93 | Very high | 98 Ų | 98 | 98.5 Ų | 98.5 | 69% | 0.685 | 51% | 0.509 | S | S | * | . | S | Bend | trans | -63.1 | 137.5 | -173.9 | -61.2 | 0 | 0 | 0 | 0 | 113 | T75 | S73-T75 PolarHBondContact O-N 3.42Å; S73-T75 PolarHBondContact O-OG1 2.93Å |
| 74 | K | 90.6 | Very high | 92.9 | Very high | 184 Ų | 184 | 96 Ų | 96 | 80% | 0.8 | 49% | 0.492 | S | S | * | . | trans | -70.7 | 71.1 | -179.7 | -63.7 | 179.4 | -175.1 | 176.1 | 0 | 112 | ||||
| 75 | T | 94.1 | Very high | 93 | Very high | 60 Ų | 60 | 96.7 Ų | 96.7 | 37% | 0.368 | 49% | 0.49 | S | S | . | . | trans | -104.7 | 146.1 | 179.2 | 58.3 | 0 | 0 | 0 | 0 | 111.2 | K66 S73 | K66-T75 PolarHBondContact N-O 3.47Å; S73-T75 PolarHBondContact O-N 3.42Å; S73-T75 PolarHBondContact O-OG1 2.93Å | ||
| 76 | W | 95.1 | Very high | 93 | Very high | 131 Ų | 131 | 93.3 Ų | 93.3 | 50% | 0.496 | 48% | 0.477 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -129 | 139 | -174.4 | -63.4 | 86.5 | 0 | 0 | 0 | 110.6 | T63 T64 R65 | T63-W76 HydrophobicContact CG2-CB 4.13Å; T63-W76 HydrophobicContact CG2-CD2 4.38Å; T63-W76 HydrophobicContact CG2-CE3 3.86Å; T64-W76 VanDerWaalsContact C-CE3 3.4Å; T64-W76 CarbonylContact O-C 3.59Å; T64-W76 WeakPolarHBondContact O-CA 3.47Å; R65-W76 HydrophobicContact CG-CD2 4.22Å; R65-W76 HydrophobicContact CG-CE3 3.99Å; R65-W76 HydrophobicContact CG-CH2 3.73Å; R65-W76 HydrophobicContact CG-CZ2 3.95Å; R65-W76 HydrophobicContact CG-CZ3 3.74Å |
| 77 | D | 95.9 | Very high | 93 | Very high | 53 Ų | 53 | 88.7 Ų | 88.7 | 28% | 0.283 | 46% | 0.458 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.5 | 135.8 | 165.4 | -81.8 | -36.3 | 0 | 0 | 0 | 110.1 | T63 T64 K66 F79 | T63-D77 VanDerWaalsContact CA-O 3.26Å; T63-D77 WeakPolarHBondContact CA-O 3.36Å; T64-D77 PolarHBondContact N-O 2.84Å; T64-D77 PolarHBondContact O-N 3.1Å; K66-D77 WeakPolarHBondContact CE-OD1 3.37Å; K66-D77 HydrophobicContact CG-CB 4.44Å; K66-D77 IonicContact NZ-OD1 3.82Å; D77-F79 HydrophobicContact CB-CD2 4.08Å; D77-F79 HydrophobicContact CB-CE2 3.39Å; D77-F79 HydrophobicContact CB-CZ 3.66Å |
| 78 | R | 96.4 | Very high | 93.1 | Very high | 189 Ų | 189 | 87.1 Ų | 87.1 | 71% | 0.713 | 45% | 0.448 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -117.7 | 86.1 | -179.3 | -63.4 | -177 | -175.7 | 109.3 | -2.9 | 109.1 | T63 | T63-R78 HydrophobicContact CG2-CG 4.08Å |
| 79 | F | 97.4 | Very high | 93.1 | Very high | 120 Ų | 120 | 81.6 Ų | 81.6 | 53% | 0.526 | 41% | 0.411 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -78.1 | 141.4 | 176.6 | -59.2 | -74.8 | 0 | 0 | 0 | 110.5 | R61 I62 D77 | R61-F79 WeakPolarHBondContact CA-O 3.49Å; I62-F79 PolarHBondContact N-O 2.95Å; I62-F79 PolarHBondContact O-N 3.32Å; D77-F79 HydrophobicContact CB-CD2 4.08Å; D77-F79 HydrophobicContact CB-CE2 3.39Å; D77-F79 HydrophobicContact CB-CZ 3.66Å |
| 80 | Q | 96.8 | Very high | 93.2 | Very high | 116 Ų | 116 | 76.9 Ų | 76.9 | 54% | 0.542 | 38% | 0.379 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.5 | 141.1 | 171.5 | 65 | 174.8 | -7.2 | 0 | 0 | 110.9 | T59 L60 | T59-Q80 HydrophobicContact CG2-CB 4.31Å; L60-Q80 CarbonylContact O-C 3.57Å; L60-Q80 VanDerWaalsContact O-CA 3.27Å; L60-Q80 WeakPolarHBondContact O-CA 3.28Å |
| 81 | M | 96.1 | Very high | 93.5 | Very high | 90 Ų | 90 | 78.9 Ų | 78.9 | 44% | 0.443 | 38% | 0.378 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.3 | 129.2 | 166.7 | -172.8 | 178.5 | -64.6 | 0 | 0 | 108.7 | L60 | L60-M81 HydrophobicContact CB-CB 4.36Å; L60-M81 PolarHBondContact N-O 3.37Å; L60-M81 PolarHBondContact O-N 3.4Å |
| 82 | R | 96.1 | Very high | 93.5 | Very high | 128 Ų | 128 | 71.6 Ų | 71.6 | 48% | 0.483 | 34% | 0.344 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.3 | 130.1 | 177.8 | -66.2 | -178.5 | -177.2 | -175.4 | -0.4 | 109.3 | T57 K58 T59 | T57-R82 HydrophobicContact CG2-CB 3.89Å; T57-R82 HydrophobicContact CG2-CG 4.34Å; K58-R82 WeakPolarHBondContact O-CA 3.38Å; T59-R82 HydrophobicContact CG2-CG 4.3Å |
| 83 | I | 96.2 | Very high | 93.5 | Very high | 48 Ų | 48 | 70 Ų | 70 | 25% | 0.246 | 32% | 0.324 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.7 | 122.2 | 176.5 | -59.7 | 174.9 | 0 | 0 | 0 | 108 | T24 T57 K58 L60 | T24-I83 HydrophobicContact CG2-CG2 3.51Å; T57-I83 WeakPolarHBondContact CA-O 3.27Å; T57-I83 WeakPolarHBondContact CG2-O 3.41Å; K58-I83 HydrophobicContact CB-CB 4.44Å; K58-I83 PolarHBondContact N-O 3.15Å; K58-I83 PolarHBondContact O-N 2.88Å; L60-I83 HydrophobicContact CD1-CD1 3.82Å; L60-I83 HydrophobicContact CG-CD1 4.44Å |
| 84 | H | 95.9 | Very high | 93.2 | Very high | 22 Ų | 22 | 67.4 Ų | 67.4 | 10% | 0.102 | 31% | 0.306 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.7 | 125.4 | -175 | -67.1 | -65.4 | 0 | 0 | 0 | 108.7 | T24 S25 V28 L31 T57 R86 | T24-H84 WeakPolarHBondContact CA-O 3.45Å; S25-H84 PolarHBondContact N-O 3.31Å; S25-H84 WeakPolarHBondContact O-CB 3.35Å; S25-H84 PolarHBondContact O-N 3.47Å; V28-H84 VanDerWaalsContact CG2-CD2 3.44Å; V28-H84 WeakPolarHBondContact CG2-CD2 3.4Å; V28-H84 VanDerWaalsContact CG2-NE2 3.26Å; V28-H84 WeakPolarHBondContact CG2-NE2 3.35Å; L31-H84 HydrophobicContact CD2-CB 3.5Å; L31-H84 WeakPolarHBondContact CD2-O 3.46Å; T57-H84 WeakPolarHBondContact CG2-CE1 3.34Å; T57-H84 WeakPolarHBondContact CG2-ND1 3.48Å; T57-H84 PolarHBondContact OG1-CE1 2.96Å; T57-H84 PolarHBondContact OG1-ND1 2.91Å; H84-R86 VanDerWaalsContact CB-NH1 3.28Å |
| 85 | K | 95.3 | Very high | 93 | Very high | 72 Ų | 72 | 66 Ų | 66 | 31% | 0.313 | 30% | 0.302 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.8 | 132.1 | -177.6 | -177.9 | 175.7 | -167.3 | 170.4 | 0 | 111 | T22 L23 M55 L87 | T22-K85 HydrophobicContact CG2-CD 4.28Å; T22-K85 HydrophobicContact CG2-CG 4.21Å; L23-K85 CarbonylContact O-C 3.57Å; L23-K85 VanDerWaalsContact O-CA 3.32Å; L23-K85 WeakPolarHBondContact O-CA 3.26Å; M55-K85 HydrophobicContact CB-CB 3.99Å; M55-K85 HydrophobicContact CB-CG 4.26Å; M55-K85 WeakPolarHBondContact CB-O 3.1Å; M55-K85 HydrophobicContact CG-CB 4.47Å; M55-K85 HydrophobicContact CG-CD 4.34Å; M55-K85 HydrophobicContact CG-CG 4.19Å; M55-K85 PolarHBondContact N-O 2.92Å; K85-L87 HydrophobicContact CD-CD1 4.47Å; K85-L87 HydrophobicContact CG-CD1 4.29Å |
| 86 | R | 95.1 | Very high | 92.6 | Very high | 13 Ų | 13 | 65.8 Ų | 65.8 | 5% | 0.049 | 30% | 0.298 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.2 | 143 | 175.2 | -81.7 | 48 | 166.1 | 169.9 | -5.4 | 108 | L23 L31 E32 V53 R54 H84 | L23-R86 HydrophobicContact CB-CB 4.23Å; L23-R86 PolarHBondContact N-O 2.84Å; L23-R86 PolarHBondContact O-N 3.05Å; L31-R86 VanDerWaalsContact CD2-CZ 3.49Å; L31-R86 HydrophobicContact CG-CG 4.47Å; E32-R86 IonicContact OE1-CZ 3.75Å; E32-R86 IonicContact OE1-NE 3Å; E32-R86 PolarHBondContact OE1-NE 2.88Å; E32-R86 IonicContact OE1-NH2 3.51Å; E32-R86 PolarHBondContact OE1-NH2 3.44Å; V53-R86 CarbonylContact O-C 3.57Å; V53-R86 WeakPolarHBondContact O-CA 3.21Å; R54-R86 HydrophobicContact CG-CG 4.36Å; H84-R86 VanDerWaalsContact CB-NH1 3.28Å |
| 87 | L | 93.6 | Very high | 92.1 | Very high | 21 Ų | 21 | 59.8 Ų | 59.8 | 11% | 0.11 | 28% | 0.276 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.4 | 138.3 | 171 | -73 | 98.9 | 0 | 0 | 0 | 110.2 | R20 I21 P52 V53 M55 K85 | R20-L87 HydrophobicContact CG-CD2 3.86Å; I21-L87 CarbonylContact O-C 3.56Å; I21-L87 WeakPolarHBondContact O-CA 3.25Å; P52-L87 CarbonylContact C-O 3.53Å; P52-L87 WeakPolarHBondContact CA-O 3.47Å; V53-L87 HydrophobicContact CB-CB 4.33Å; V53-L87 PolarHBondContact N-O 2.98Å; V53-L87 PolarHBondContact O-N 3.45Å; M55-L87 HydrophobicContact CG-CD1 3.18Å; M55-L87 HydrophobicContact SD-CD1 3.83Å; K85-L87 HydrophobicContact CD-CD1 4.47Å; K85-L87 HydrophobicContact CG-CD1 4.29Å |
| 88 | I | 93.1 | Very high | 91.6 | Very high | 1 Ų | 1 | 64.4 Ų | 64.4 | 1% | 0.005 | 29% | 0.293 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127 | 124.8 | 174 | -59.9 | 168 | 0 | 0 | 0 | 106.6 | I21 L23 L38 I39 V49 P52 L90 | I21-I88 HydrophobicContact CB-CB 4.46Å; I21-I88 PolarHBondContact N-O 2.86Å; I21-I88 PolarHBondContact O-N 2.82Å; L23-I88 HydrophobicContact CD1-CD1 4.09Å; L38-I88 HydrophobicContact CB-CD1 4.36Å; L38-I88 HydrophobicContact CD2-CD1 3.63Å; L38-I88 HydrophobicContact CD2-CG2 4.48Å; I39-I88 HydrophobicContact CG1-CD1 4.3Å; V49-I88 HydrophobicContact CG1-CG2 3.88Å; P52-I88 HydrophobicContact CB-CG1 4.17Å; I88-L90 HydrophobicContact CG2-CD2 4.26Å; I88-L90 HydrophobicContact CG2-CG 4.26Å |
| 89 | D | 92.1 | Very high | 91.1 | Very high | 18 Ų | 18 | 60.8 Ų | 60.8 | 10% | 0.096 | 29% | 0.285 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.5 | 130.1 | 176.5 | -72.9 | -13.8 | 0 | 0 | 0 | 109 | R18 I19 R20 K50 | R18-D89 IonicContact NH2-OD2 3.69Å; I19-D89 WeakPolarHBondContact O-CA 3.35Å; R20-D89 WeakPolarHBondContact CG-OD1 3.46Å; R20-D89 IonicContact CZ-OD1 2.69Å; R20-D89 IonicContact CZ-OD2 2.84Å; R20-D89 IonicContact NE-OD1 3.51Å; R20-D89 PolarHBondContact NE-OD1 3.44Å; R20-D89 IonicContact NE-OD2 2.8Å; R20-D89 IonicContact NH2-OD1 3.91Å; R20-D89 PolarHBondContact NH2-OD1 2.8Å; R20-D89 IonicContact NH2-OD2 3.33Å; R20-D89 PolarHBondContact NH2-OD2 2.69Å; K50-D89 HydrophobicContact CB-CB 4.04Å; K50-D89 HydrophobicContact CD-CB 4.5Å; K50-D89 PolarHBondContact N-O 2.95Å; K50-D89 PolarHBondContact O-N 2.99Å |
| 90 | L | 90.3 | Very high | 90.4 | Very high | 2 Ų | 2 | 55.7 Ų | 55.7 | 1% | 0.01 | 26% | 0.262 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.9 | 143.5 | -178.9 | -63.7 | 174 | 0 | 0 | 0 | 110.4 | I19 I21 A42 V49 I88 V97 | I19-L90 PolarHBondContact N-O 3Å; I19-L90 PolarHBondContact O-N 3.28Å; I21-L90 HydrophobicContact CD1-CD1 3.5Å; I21-L90 VanDerWaalsContact CD1-CD1 3.5Å; I21-L90 HydrophobicContact CD1-CG 4.47Å; I21-L90 HydrophobicContact CG1-CD1 4.46Å; A42-L90 HydrophobicContact CB-CD2 4.04Å; V49-L90 HydrophobicContact CB-CD2 3.94Å; V49-L90 HydrophobicContact CG1-CD2 3.78Å; V49-L90 HydrophobicContact CG2-CD2 3.54Å; I88-L90 HydrophobicContact CG2-CD2 4.26Å; I88-L90 HydrophobicContact CG2-CG 4.26Å; L90-V97 HydrophobicContact CD1-CG2 4.1Å |
| 91 | H | 88.9 | Confident | 89.8 | Confident | 80 Ų | 80 | 51.1 Ų | 51.1 | 37% | 0.37 | 24% | 0.243 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.7 | 103.9 | 165.6 | -66.6 | 172 | 0 | 0 | 0 | 108.2 | K48 | K48-H91 PolarHBondContact O-N 2.97Å |
| 92 | S | 85.5 | Confident | 88.9 | Confident | 2 Ų | 2 | 50.5 Ų | 50.5 | 1% | 0.014 | 25% | 0.247 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -164.7 | 162.6 | -171.4 | 56.7 | 0 | 0 | 0 | 0 | 112.1 | H17 V97 | H17-S92 PolarHBondContact N-O 3.11Å; H17-S92 PolarHBondContact O-N 3.39Å; H17-S92 VanDerWaalsContact O-N 3.13Å; S92-V97 WeakPolarHBondContact OG-CG2 3.41Å |
| 93 | P | 88.2 | Confident | 87.8 | Confident | 22 Ų | 22 | 51 Ų | 51 | 14% | 0.143 | 26% | 0.258 | C | S | . | . | trans | -58.5 | 147 | 166.7 | -19.5 | 32.1 | 0 | 0 | 0 | 111.4 | V14 E95 I96 | V14-P93 HydrophobicContact CB-CG 4.47Å; V14-P93 HydrophobicContact CG1-CB 3.36Å; V14-P93 HydrophobicContact CG1-CG 3.29Å; P93-E95 VanDerWaalsContact C-N 3.27Å; P93-E95 PolarHBondContact O-N 2.93Å; P93-I96 HydrophobicContact CB-CD1 4.41Å; P93-I96 HydrophobicContact CB-CG1 4.29Å; P93-I96 HydrophobicContact CG-CD1 3.84Å; P93-I96 HydrophobicContact CG-CG1 4.26Å | ||
| 94 | S | 84.8 | Confident | 86.6 | Confident | 44 Ų | 44 | 49.8 Ų | 49.8 | 31% | 0.308 | 25% | 0.254 | S | S | . | . | H | α-helix | trans | -64.3 | -30.7 | 177.9 | 55.4 | 0 | 0 | 0 | 0 | 113.3 | V97 K98 | S94-V97 PolarHBondContact O-N 2.89Å; S94-K98 WeakPolarHBondContact O-CG 3.42Å; S94-K98 PolarHBondContact O-N 2.84Å; S94-K98 VanDerWaalsContact O-N 3.14Å |
| 95 | E | 85.9 | Confident | 85.7 | Confident | 155 Ų | 155 | 54.4 Ų | 54.4 | 72% | 0.724 | 28% | 0.278 | S | S | * | . | H | α-helix | trans | -67.1 | -45.7 | -177.5 | -173.8 | 169.9 | -159.6 | 0 | 0 | 112.4 | P93 V97 K98 Q99 | P93-E95 VanDerWaalsContact C-N 3.27Å; P93-E95 PolarHBondContact O-N 2.93Å; E95-V97 VanDerWaalsContact C-N 3.26Å; E95-V97 PolarHBondContact O-N 3.42Å; E95-K98 PolarHBondContact O-N 3.25Å; E95-Q99 PolarHBondContact O-N 3.1Å |
| 96 | I | 85.4 | Confident | 85 | Confident | 55 Ų | 55 | 53.3 Ų | 53.3 | 28% | 0.282 | 27% | 0.274 | S | S | . | . | H | α-helix | trans | -62.8 | -37.3 | 179.1 | -58.1 | -177.7 | 0 | 0 | 0 | 110.7 | K45 L47 P93 Q99 I100 | K45-I96 HydrophobicContact CD-CG2 3.46Å; K45-I96 VanDerWaalsContact CD-CG2 3.46Å; L47-I96 HydrophobicContact CD1-CG2 3.99Å; P93-I96 HydrophobicContact CB-CD1 4.41Å; P93-I96 HydrophobicContact CB-CG1 4.29Å; P93-I96 HydrophobicContact CG-CD1 3.84Å; P93-I96 HydrophobicContact CG-CG1 4.26Å; I96-Q99 PolarHBondContact O-N 2.92Å; I96-I100 HydrophobicContact CG2-CD1 4.16Å; I96-I100 WeakPolarHBondContact O-CG1 3.44Å; I96-I100 PolarHBondContact O-N 3.48Å; I96-I100 VanDerWaalsContact O-N 3.16Å |
| 97 | V | 85.6 | Confident | 84.5 | Confident | 4 Ų | 4 | 58.3 Ų | 58.3 | 2% | 0.024 | 31% | 0.308 | C | S | . | . | H | α-helix | trans | -67.5 | -44.2 | 178.4 | 175.9 | 0 | 0 | 0 | 0 | 111.7 | I19 I21 L90 S92 S94 E95 Q99 I100 T101 V113 | I19-V97 HydrophobicContact CD1-CB 4.22Å; I19-V97 HydrophobicContact CD1-CG2 3.81Å; I19-V97 HydrophobicContact CG2-CG1 4.31Å; I21-V97 HydrophobicContact CD1-CG1 3.83Å; I21-V97 HydrophobicContact CG1-CG1 4.46Å; L90-V97 HydrophobicContact CD1-CG2 4.1Å; S92-V97 WeakPolarHBondContact OG-CG2 3.41Å; S94-V97 PolarHBondContact O-N 2.89Å; E95-V97 VanDerWaalsContact C-N 3.26Å; E95-V97 PolarHBondContact O-N 3.42Å; V97-Q99 PolarHBondContact O-N 2.64Å; V97-I100 PolarHBondContact O-N 2.84Å; V97-I100 VanDerWaalsContact O-N 3.12Å; V97-T101 HydrophobicContact CG1-CG2 4.19Å; V97-T101 WeakPolarHBondContact O-CG2 3.35Å; V97-T101 PolarHBondContact O-N 3.19Å; V97-T101 PolarHBondContact O-OG1 2.9Å; V97-T101 VanDerWaalsContact O-OG1 3.05Å; V97-V113 HydrophobicContact CG1-CG1 4.31Å |
| 98 | K | 85.7 | Confident | 84.1 | Confident | 151 Ų | 151 | 60.1 Ų | 60.1 | 66% | 0.657 | 33% | 0.332 | S | S | * | . | H | α-helix | trans | -54.9 | -44 | 176 | -74.3 | 178 | -177.5 | -179.1 | 0 | 111.4 | S94 E95 T101 S102 | S94-K98 WeakPolarHBondContact O-CG 3.42Å; S94-K98 PolarHBondContact O-N 2.84Å; S94-K98 VanDerWaalsContact O-N 3.14Å; E95-K98 PolarHBondContact O-N 3.25Å; K98-T101 WeakPolarHBondContact CA-OG1 3.44Å; K98-T101 PolarHBondContact O-N 3.03Å; K98-T101 PolarHBondContact O-OG1 2.89Å; K98-S102 PolarHBondContact O-N 3.01Å; K98-S102 VanDerWaalsContact O-N 3.15Å; K98-S102 PolarHBondContact O-OG 3.29Å |
| 99 | Q | 84.9 | Confident | 84.1 | Confident | 113 Ų | 113 | 60.6 Ų | 60.6 | 53% | 0.528 | 34% | 0.335 | S | S | . | . | H | α-helix | trans | -66.1 | -36.5 | 178.7 | -165 | -168.6 | 23.9 | 0 | 0 | 113.3 | E95 I96 V97 S102 I103 | E95-Q99 PolarHBondContact O-N 3.1Å; I96-Q99 PolarHBondContact O-N 2.92Å; V97-Q99 PolarHBondContact O-N 2.64Å; Q99-S102 PolarHBondContact O-OG 3.31Å; Q99-I103 WeakPolarHBondContact O-CD1 3.26Å; Q99-I103 WeakPolarHBondContact O-CG1 3.27Å |
| 100 | I | 84.1 | Confident | 84 | Confident | 12 Ų | 12 | 65.5 Ų | 65.5 | 6% | 0.062 | 36% | 0.357 | C | S | . | . | H | α-helix | trans | -69.2 | -45.5 | 176.7 | -64.8 | 165.9 | 0 | 0 | 0 | 109.7 | L38 A42 K45 L47 I96 V97 S102 I103 | L38-I100 HydrophobicContact CD1-CG2 3.98Å; L38-I100 HydrophobicContact CG-CG2 3.99Å; A42-I100 HydrophobicContact CB-CD1 4.47Å; K45-I100 HydrophobicContact CD-CD1 4.09Å; K45-I100 HydrophobicContact CD-CG1 4.18Å; L47-I100 HydrophobicContact CD1-CD1 4.07Å; I96-I100 HydrophobicContact CG2-CD1 4.16Å; I96-I100 WeakPolarHBondContact O-CG1 3.44Å; I96-I100 PolarHBondContact O-N 3.48Å; I96-I100 VanDerWaalsContact O-N 3.16Å; V97-I100 PolarHBondContact O-N 2.84Å; V97-I100 VanDerWaalsContact O-N 3.12Å; I100-S102 VanDerWaalsContact C-N 3.29Å; I100-S102 PolarHBondContact O-N 3.21Å; I100-I103 PolarHBondContact O-N 3.33Å |
| 101 | T | 83.4 | Confident | 84.1 | Confident | 21 Ų | 21 | 67.5 Ų | 67.5 | 13% | 0.129 | 37% | 0.369 | C | S | . | . | H | α-helix | trans | -66.4 | -28.6 | -175.9 | 50 | 0 | 0 | 0 | 0 | 113.6 | I21 L38 V97 K98 I103 I105 V111 V113 | I21-T101 HydrophobicContact CD1-CG2 4.2Å; L38-T101 HydrophobicContact CD1-CG2 4.28Å; V97-T101 HydrophobicContact CG1-CG2 4.19Å; V97-T101 WeakPolarHBondContact O-CG2 3.35Å; V97-T101 PolarHBondContact O-N 3.19Å; V97-T101 PolarHBondContact O-OG1 2.9Å; V97-T101 VanDerWaalsContact O-OG1 3.05Å; K98-T101 WeakPolarHBondContact CA-OG1 3.44Å; K98-T101 PolarHBondContact O-N 3.03Å; K98-T101 PolarHBondContact O-OG1 2.89Å; T101-I103 VanDerWaalsContact C-N 3.31Å; T101-I103 PolarHBondContact O-N 3.48Å; T101-I105 WeakPolarHBondContact O-CG1 3.07Å; T101-V111 HydrophobicContact CG2-CG1 4.44Å; T101-V113 HydrophobicContact CG2-CG2 4.14Å |
| 102 | S | 77.8 | Confident | 84.2 | Confident | 77 Ų | 77 | 68.1 Ų | 68.1 | 54% | 0.538 | 37% | 0.373 | S | S | . | . | H | α-helix | trans | -71.5 | -23.2 | -179.8 | 54.7 | 0 | 0 | 0 | 0 | 113.9 | K98 Q99 I100 | K98-S102 PolarHBondContact O-N 3.01Å; K98-S102 VanDerWaalsContact O-N 3.15Å; K98-S102 PolarHBondContact O-OG 3.29Å; Q99-S102 PolarHBondContact O-OG 3.31Å; I100-S102 VanDerWaalsContact C-N 3.29Å; I100-S102 PolarHBondContact O-N 3.21Å |
| 103 | I | 72.4 | Confident | 84.4 | Confident | 138 Ų | 138 | 71.3 Ų | 71.3 | 71% | 0.708 | 39% | 0.392 | S | S | * | . | H | α-helix | trans | -85.4 | -24.6 | -173.5 | -61.7 | 168.1 | 0 | 0 | 0 | 111.7 | Q99 I100 T101 | Q99-I103 WeakPolarHBondContact O-CD1 3.26Å; Q99-I103 WeakPolarHBondContact O-CG1 3.27Å; I100-I103 PolarHBondContact O-N 3.33Å; T101-I103 VanDerWaalsContact C-N 3.31Å; T101-I103 PolarHBondContact O-N 3.48Å |
| 104 | S | 69.7 | Low | 84.5 | Confident | 23 Ų | 23 | 73.8 Ų | 73.8 | 16% | 0.161 | 41% | 0.406 | C | S | . | . | trans | -111.4 | 22.6 | -166.9 | 69.4 | 0 | 0 | 0 | 0 | 115.2 | V34 E106 | V34-S104 WeakPolarHBondContact CG2-O 3.45Å; S104-E106 PolarHBondContact O-N 3.33Å | ||
| 105 | I | 78.1 | Confident | 84.7 | Confident | 119 Ų | 119 | 75.4 Ų | 75.4 | 61% | 0.61 | 41% | 0.411 | S | S | * | . | trans | -78.7 | 95.2 | -178.2 | -53.9 | 178.2 | 0 | 0 | 0 | 109.5 | T101 | T101-I105 WeakPolarHBondContact O-CG1 3.07Š| ||
| 106 | E | 80.4 | Confident | 84.3 | Confident | 48 Ų | 48 | 70.6 Ų | 70.6 | 22% | 0.224 | 40% | 0.398 | C | S | . | . | trans | -83.8 | 140.4 | 171.1 | -160.3 | 164.5 | -142 | 0 | 0 | 110.1 | S30 K33 V34 S104 G108 V109 | S30-E106 WeakPolarHBondContact CA-OE2 3.48Å; S30-E106 WeakPolarHBondContact CB-OE2 3Å; K33-E106 IonicContact NZ-OE1 2.8Å; K33-E106 PolarHBondContact NZ-OE1 2.8Å; V34-E106 HydrophobicContact CG2-CB 3.55Å; S104-E106 PolarHBondContact O-N 3.33Å; E106-G108 PolarHBondContact O-N 3.06Å; E106-V109 PolarHBondContact O-N 2.84Å | ||
| 107 | P | 84.6 | Confident | 83.2 | Confident | 118 Ų | 118 | 73.3 Ų | 73.3 | 77% | 0.766 | 41% | 0.413 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -59.1 | 132 | -178.1 | 22.4 | -34.5 | 0 | 0 | 0 | 111.9 | ||
| 108 | G | 86.1 | Confident | 81.4 | Confident | 59 Ų | 59 | 81.6 Ų | 81.6 | 61% | 0.608 | 48% | 0.482 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 85.3 | 7.2 | 179.2 | 0 | 0 | 0 | 0 | 0 | 115 | S25 E106 | S25-G108 WeakPolarHBondContact CB-O 3.12Å; S25-G108 PolarHBondContact OG-O 2.88Å; E106-G108 PolarHBondContact O-N 3.06Å |
| 109 | V | 91.6 | Very high | 81.2 | Confident | 12 Ų | 12 | 78.2 Ų | 78.2 | 7% | 0.073 | 47% | 0.473 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.1 | 121.6 | 164.5 | -176 | 0 | 0 | 0 | 0 | 108.5 | L23 L31 V34 E106 V111 | L23-V109 HydrophobicContact CB-CG1 4.46Å; L23-V109 HydrophobicContact CD2-CG1 4.41Å; L31-V109 HydrophobicContact CD1-CG1 3.97Å; V34-V109 HydrophobicContact CG1-CG1 4.44Å; V34-V109 HydrophobicContact CG2-CG2 4.19Å; E106-V109 PolarHBondContact O-N 2.84Å; V109-V111 HydrophobicContact CG1-CG2 4.42Å |
| 110 | E | 91.1 | Very high | 81 | Confident | 120 Ų | 120 | 76.3 Ų | 76.3 | 56% | 0.561 | 47% | 0.47 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -93.3 | 131.9 | 174.2 | -173.5 | 168.4 | -158.7 | 0 | 0 | 109.4 | L23 T24 | L23-E110 WeakPolarHBondContact CA-O 3.26Å; T24-E110 PolarHBondContact N-O 3.18Å; T24-E110 PolarHBondContact O-N 2.87Å |
| 111 | V | 91.4 | Very high | 80.8 | Confident | 44 Ų | 44 | 79.9 Ų | 79.9 | 27% | 0.267 | 49% | 0.493 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.1 | 117.6 | -175.4 | -173.6 | 0 | 0 | 0 | 0 | 108.8 | I21 L23 T101 V109 | I21-V111 HydrophobicContact CG2-CG1 3.96Å; L23-V111 HydrophobicContact CD2-CB 4.11Å; L23-V111 HydrophobicContact CD2-CG1 3.82Å; L23-V111 HydrophobicContact CD2-CG2 3.6Å; T101-V111 HydrophobicContact CG2-CG1 4.44Å; V109-V111 HydrophobicContact CG1-CG2 4.42Å |
| 112 | E | 90.9 | Very high | 80.7 | Confident | 94 Ų | 94 | 83.4 Ų | 83.4 | 44% | 0.439 | 51% | 0.514 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.6 | 133.1 | 173.6 | -66.9 | 173.9 | 168.2 | 0 | 0 | 109.2 | I21 T22 | I21-E112 CarbonylContact C-O 3.52Å; I21-E112 WeakPolarHBondContact CA-O 3.34Å; T22-E112 PolarHBondContact N-O 2.85Å; T22-E112 PolarHBondContact O-N 3.06Å |
| 113 | V | 90.4 | Very high | 80.9 | Confident | 68 Ų | 68 | 83.8 Ų | 83.8 | 41% | 0.412 | 51% | 0.513 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.4 | 120.4 | 176.6 | -175.5 | 0 | 0 | 0 | 0 | 108.5 | I19 I21 V97 T101 | I19-V113 HydrophobicContact CG2-CG1 3.45Å; I19-V113 VanDerWaalsContact CG2-CG1 3.45Å; I21-V113 HydrophobicContact CG1-CG2 4.39Å; V97-V113 HydrophobicContact CG1-CG1 4.31Å; T101-V113 HydrophobicContact CG2-CG2 4.14Å |
| 114 | T | 90.9 | Very high | 81.4 | Confident | 74 Ų | 74 | 80.1 Ų | 80.1 | 45% | 0.454 | 50% | 0.5 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.3 | 125.8 | 178 | -24.9 | 0 | 0 | 0 | 0 | 109.1 | R20 | R20-T114 PolarHBondContact N-O 2.88Å; R20-T114 PolarHBondContact O-N 2.75Å |
| 115 | I | 89.3 | Confident | 82.3 | Confident | 78 Ų | 78 | 84.2 Ų | 84.2 | 40% | 0.4 | 52% | 0.524 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.8 | 117.3 | 172.3 | -56.5 | 175.8 | 0 | 0 | 0 | 106.1 | H17 D117 | H17-I115 HydrophobicContact CB-CG2 3.87Å; I115-D117 PolarHBondContact O-N 3.27Å |
| 116 | A | 76.4 | Confident | 82.6 | Confident | 54 Ų | 54 | 81.5 Ų | 81.5 | 45% | 0.446 | 52% | 0.517 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -86 | 87.3 | 170.3 | 0 | 0 | 0 | 0 | 0 | 107 | R18 | R18-A116 WeakPolarHBondContact O-CB 2.93Å; R18-A116 PolarHBondContact O-N 3.43Å |
| 117 | D | 62.8 | Low | 82.8 | Confident | 113 Ų | 113 | 84.3 Ų | 84.3 | 60% | 0.604 | 54% | 0.542 | S | S | * | . | trans | -70.3 | 138.2 | 158.1 | -68.6 | -34.6 | 0 | 0 | 0 | 107.2 | H17 I115 | H17-D117 IonicContact CE1-OD1 3.97Å; H17-D117 IonicContact ND1-OD1 3.85Å; H17-D117 PolarHBondContact ND1-OD1 3.11Å; H17-D117 VanDerWaalsContact ND1-OD1 3.11Å; I115-D117 PolarHBondContact O-N 3.27Å | ||
| 118 | A | 47.8 | Very low | 82.6 | Confident | 178 Ų | 178 | 81.3 Ų | 81.3 | 100% | 1.471 | 52% | 0.521 | S | S | * | . | trans | -59.6 | 0 | 178.6 | 0 | 0 | 0 | 0 | 0 | 111.3 |
Retrieved 118 of 118 residues in 715.5 ms
(Link to these results)