| 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 | 35.6 | Very low | 44 | Very low | 247 Ų | 247 | 134 Ų | 134 | 100% | 1.217 | 75% | 0.75 | S | S | * | * | 0 | 118.4 | 0 | -164.8 | 153.8 | 177.5 | 0 | 0 | 105.8 | |||||
| 2 | V | 38.6 | Very low | 44.9 | Very low | 108 Ų | 108 | 128 Ų | 128 | 66% | 0.655 | 73% | 0.73 | S | S | * | * | trans | -63.1 | 134.9 | -173.9 | 177.7 | 0 | 0 | 0 | 0 | 108.8 | F4 | V2-F4 HydrophobicContact CG1-CD2 3.55Å; V2-F4 HydrophobicContact CG1-CE2 4.04Å | ||
| 3 | D | 28.8 | Very low | 45.8 | Very low | 172 Ų | 172 | 124.7 Ų | 124.7 | 92% | 0.92 | 71% | 0.714 | S | S | * | * | trans | -143.1 | 125.5 | 147.1 | -98.7 | -32.1 | 0 | 0 | 0 | 110.8 | ||||
| 4 | F | 32.7 | Very low | 46.5 | Very low | 182 Ų | 182 | 119.1 Ų | 119.1 | 80% | 0.798 | 69% | 0.69 | S | S | * | * | trans | -95.6 | 174.9 | -173.1 | -107.5 | -70.2 | 0 | 0 | 0 | 109.1 | V2 | V2-F4 HydrophobicContact CG1-CD2 3.55Å; V2-F4 HydrophobicContact CG1-CE2 4.04Å | ||
| 5 | P | 46.3 | Very low | 47.1 | Very low | 69 Ų | 69 | 115.5 Ų | 115.5 | 45% | 0.448 | 67% | 0.674 | S | S | . | * | -89 | 165.3 | -128 | 40.4 | -30.7 | 0 | 0 | 0 | 114.4 | Y7 | P5-Y7 HydrophobicContact CG-CD2 3.96Å; P5-Y7 HydrophobicContact CG-CE2 3.4Å; P5-Y7 WeakPolarHBondContact O-CD2 3.35Å; P5-Y7 PolarHBondContact O-N 3.28Å | |||
| 6 | G | 48.8 | Very low | 47.6 | Very low | 86 Ų | 86 | 117.2 Ų | 117.2 | 89% | 0.887 | 67% | 0.671 | S | S | * | * | trans | -61.1 | 104.6 | 166.7 | 0 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 7 | Y | 44.4 | Very low | 48 | Very low | 196 Ų | 196 | 115.9 Ų | 115.9 | 77% | 0.769 | 66% | 0.661 | S | S | * | * | trans | -90.2 | 121 | 166.1 | -75.2 | -76.4 | 0 | 0 | 0 | 109.4 | P5 L9 | P5-Y7 HydrophobicContact CG-CD2 3.96Å; P5-Y7 HydrophobicContact CG-CE2 3.4Å; P5-Y7 WeakPolarHBondContact O-CD2 3.35Å; P5-Y7 PolarHBondContact O-N 3.28Å; Y7-L9 PolarHBondContact O-N 3.31Å | ||
| 8 | N | 48.6 | Very low | 48.2 | Very low | 135 Ų | 135 | 117.6 Ų | 117.6 | 72% | 0.722 | 66% | 0.66 | S | S | * | * | trans | -68.5 | 113.6 | -177.3 | -147.4 | -13.2 | 0 | 0 | 0 | 109.5 | S10 G11 | N8-S10 PolarHBondContact O-N 3.38Å; N8-G11 PolarHBondContact O-N 3.07Å | ||
| 9 | L | 51.1 | Low | 48.4 | Very low | 148 Ų | 148 | 116.2 Ų | 116.2 | 78% | 0.775 | 65% | 0.65 | S | S | * | * | H | α-helix | trans | -58.2 | -20.8 | -177.8 | -133.8 | 83 | 0 | 0 | 0 | 112.9 | Y7 V13 | Y7-L9 PolarHBondContact O-N 3.31Å; L9-V13 VanDerWaalsContact O-CG2 3.29Å; L9-V13 WeakPolarHBondContact O-CG2 3.19Å; L9-V13 PolarHBondContact O-N 3.19Å |
| 10 | S | 56.2 | Low | 48.6 | Very low | 88 Ų | 88 | 116.1 Ų | 116.1 | 62% | 0.615 | 65% | 0.647 | S | S | * | * | H | α-helix | trans | -71.6 | -34.1 | 176.2 | 172.1 | 0 | 0 | 0 | 0 | 113.4 | N8 A14 | N8-S10 PolarHBondContact O-N 3.38Å; S10-A14 VanDerWaalsContact O-CB 3.27Å; S10-A14 WeakPolarHBondContact O-CB 3.29Å; S10-A14 PolarHBondContact O-N 3.24Å; S10-A14 VanDerWaalsContact O-N 3.13Å |
| 11 | G | 53.1 | Low | 48.6 | Very low | 43 Ų | 43 | 117 Ų | 117 | 44% | 0.443 | 65% | 0.65 | S | S | . | * | H | α-helix | trans | -76.4 | -36.8 | -179.2 | 0 | 0 | 0 | 0 | 0 | 112.8 | N8 S15 | N8-G11 PolarHBondContact O-N 3.07Å; G11-S15 WeakPolarHBondContact O-CB 3.47Å; G11-S15 PolarHBondContact O-N 3.1Å |
| 12 | A | 54.7 | Low | 49.1 | Very low | 62 Ų | 62 | 110 Ų | 110 | 51% | 0.512 | 62% | 0.621 | S | S | . | * | H | α-helix | trans | -69.7 | -39 | 178.2 | 0 | 0 | 0 | 0 | 0 | 112.2 | S15 F16 | A12-S15 PolarHBondContact O-N 3.35Å; A12-F16 WeakPolarHBondContact O-CB 3.2Å; A12-F16 PolarHBondContact O-N 2.71Å |
| 13 | V | 55.9 | Low | 49.3 | Very low | 85 Ų | 85 | 111.5 Ų | 111.5 | 52% | 0.515 | 62% | 0.623 | S | S | . | * | H | α-helix | trans | -71.7 | -39.9 | 176.7 | 179.6 | 0 | 0 | 0 | 0 | 111.1 | L9 S15 F16 L17 | L9-V13 VanDerWaalsContact O-CG2 3.29Å; L9-V13 WeakPolarHBondContact O-CG2 3.19Å; L9-V13 PolarHBondContact O-N 3.19Å; V13-S15 VanDerWaalsContact C-N 3.35Å; V13-F16 PolarHBondContact O-N 2.99Å; V13-L17 HydrophobicContact CG1-CD1 4Å; V13-L17 WeakPolarHBondContact O-CB 3.23Å; V13-L17 WeakPolarHBondContact O-CG 3.42Å; V13-L17 PolarHBondContact O-N 2.9Å |
| 14 | A | 55.9 | Low | 50.1 | Low | 46 Ų | 46 | 112.4 Ų | 112.4 | 38% | 0.38 | 62% | 0.619 | S | S | . | * | H | α-helix | trans | -65.5 | -37 | 172.6 | 0 | 0 | 0 | 0 | 0 | 112.1 | S10 F18 | S10-A14 VanDerWaalsContact O-CB 3.27Å; S10-A14 WeakPolarHBondContact O-CB 3.29Å; S10-A14 PolarHBondContact O-N 3.24Å; S10-A14 VanDerWaalsContact O-N 3.13Å; A14-F18 WeakPolarHBondContact O-CB 3.3Å; A14-F18 WeakPolarHBondContact O-CD2 3.44Å; A14-F18 PolarHBondContact O-N 2.9Å |
| 15 | S | 56.3 | Low | 50.8 | Low | 66 Ų | 66 | 111.2 Ų | 111.2 | 46% | 0.462 | 62% | 0.616 | S | S | . | * | H | α-helix | trans | -72.9 | -33.9 | 176.1 | -158.1 | 0 | 0 | 0 | 0 | 112.2 | G11 A12 V13 I19 | G11-S15 WeakPolarHBondContact O-CB 3.47Å; G11-S15 PolarHBondContact O-N 3.1Å; A12-S15 PolarHBondContact O-N 3.35Å; V13-S15 VanDerWaalsContact C-N 3.35Å; S15-I19 WeakPolarHBondContact O-CB 3.26Å; S15-I19 WeakPolarHBondContact O-CD1 3.35Å; S15-I19 WeakPolarHBondContact O-CG1 3.4Å; S15-I19 PolarHBondContact O-N 2.99Å |
| 16 | F | 54.3 | Low | 51.2 | Low | 142 Ų | 142 | 111.3 Ų | 111.3 | 62% | 0.623 | 62% | 0.618 | S | S | * | * | H | α-helix | trans | -70.3 | -39.2 | 171.7 | -118.7 | -92.7 | 0 | 0 | 0 | 111.9 | A12 V13 I19 L20 | A12-F16 WeakPolarHBondContact O-CB 3.2Å; A12-F16 PolarHBondContact O-N 2.71Å; V13-F16 PolarHBondContact O-N 2.99Å; F16-I19 PolarHBondContact O-N 2.94Å; F16-L20 HydrophobicContact CD1-CD1 4.3Å; F16-L20 VanDerWaalsContact O-CB 3.32Å; F16-L20 WeakPolarHBondContact O-CB 3.2Å; F16-L20 WeakPolarHBondContact O-CD1 3.43Å; F16-L20 WeakPolarHBondContact O-CG 3.49Å; F16-L20 PolarHBondContact O-N 2.8Å |
| 17 | L | 54.3 | Low | 51.6 | Low | 96 Ų | 96 | 111.7 Ų | 111.7 | 50% | 0.503 | 60% | 0.597 | S | S | . | * | H | α-helix | trans | -64.8 | -41 | 172 | -84.2 | 157.7 | 0 | 0 | 0 | 111.2 | V13 L20 L21 | V13-L17 HydrophobicContact CG1-CD1 4Å; V13-L17 WeakPolarHBondContact O-CB 3.23Å; V13-L17 WeakPolarHBondContact O-CG 3.42Å; V13-L17 PolarHBondContact O-N 2.9Å; L17-L20 PolarHBondContact O-N 3.01Å; L17-L21 VanDerWaalsContact O-CB 3.24Å; L17-L21 WeakPolarHBondContact O-CB 3.22Å; L17-L21 VanDerWaalsContact O-CD1 3.3Å; L17-L21 WeakPolarHBondContact O-CD1 3.18Å; L17-L21 WeakPolarHBondContact O-CG 3.44Å; L17-L21 PolarHBondContact O-N 2.86Å |
| 18 | F | 51.7 | Low | 53.1 | Low | 145 Ų | 145 | 108.7 Ų | 108.7 | 64% | 0.636 | 59% | 0.594 | S | S | * | * | H | α-helix | trans | -64.9 | -40.8 | 172.1 | -102.8 | -85.3 | 0 | 0 | 0 | 112 | A14 L21 T22 | A14-F18 WeakPolarHBondContact O-CB 3.3Å; A14-F18 WeakPolarHBondContact O-CD2 3.44Å; A14-F18 PolarHBondContact O-N 2.9Å; F18-L21 CarbonylContact O-C 3.53Å; F18-L21 PolarHBondContact O-N 3.32Å; F18-T22 WeakPolarHBondContact O-CB 3.49Å; F18-T22 VanDerWaalsContact O-CG2 3.28Å; F18-T22 WeakPolarHBondContact O-CG2 2.93Å; F18-T22 PolarHBondContact O-N 2.99Å; F18-T22 PolarHBondContact O-OG1 3.04Å |
| 19 | I | 53.2 | Low | 54.8 | Low | 91 Ų | 91 | 102.8 Ų | 102.8 | 47% | 0.467 | 56% | 0.562 | S | S | . | * | H | α-helix | trans | -65.4 | -40.8 | 175.6 | -70.6 | 162.5 | 0 | 0 | 0 | 111 | S15 F16 T22 M23 | S15-I19 WeakPolarHBondContact O-CB 3.26Å; S15-I19 WeakPolarHBondContact O-CD1 3.35Å; S15-I19 WeakPolarHBondContact O-CG1 3.4Å; S15-I19 PolarHBondContact O-N 2.99Å; F16-I19 PolarHBondContact O-N 2.94Å; I19-T22 WeakPolarHBondContact CA-OG1 3.04Å; I19-T22 CarbonylContact O-C 3.57Å; I19-T22 PolarHBondContact O-N 2.76Å; I19-T22 PolarHBondContact O-OG1 2.92Å; I19-M23 VanDerWaalsContact O-CG 3.32Å; I19-M23 WeakPolarHBondContact O-CG 3.42Å; I19-M23 PolarHBondContact O-N 3.34Å |
| 20 | L | 51.3 | Low | 56.6 | Low | 115 Ų | 115 | 103.6 Ų | 103.6 | 60% | 0.602 | 56% | 0.555 | S | S | * | * | H | α-helix | trans | -67.2 | -32.1 | 173 | -79.8 | 157.2 | 0 | 0 | 0 | 112.9 | F16 L17 | F16-L20 HydrophobicContact CD1-CD1 4.3Å; F16-L20 VanDerWaalsContact O-CB 3.32Å; F16-L20 WeakPolarHBondContact O-CB 3.2Å; F16-L20 WeakPolarHBondContact O-CD1 3.43Å; F16-L20 WeakPolarHBondContact O-CG 3.49Å; F16-L20 PolarHBondContact O-N 2.8Å; L17-L20 PolarHBondContact O-N 3.01Å |
| 21 | L | 49.6 | Very low | 58.3 | Low | 136 Ų | 136 | 100 Ų | 100 | 71% | 0.712 | 53% | 0.529 | S | S | * | . | H | α-helix | trans | -80.4 | -22 | 174 | -80.7 | 153.7 | 0 | 0 | 0 | 113 | L17 F18 | L17-L21 VanDerWaalsContact O-CB 3.24Å; L17-L21 WeakPolarHBondContact O-CB 3.22Å; L17-L21 VanDerWaalsContact O-CD1 3.3Å; L17-L21 WeakPolarHBondContact O-CD1 3.18Å; L17-L21 WeakPolarHBondContact O-CG 3.44Å; L17-L21 PolarHBondContact O-N 2.86Å; F18-L21 CarbonylContact O-C 3.53Å; F18-L21 PolarHBondContact O-N 3.32Å |
| 22 | T | 45.5 | Very low | 60.2 | Low | 99 Ų | 99 | 100.7 Ų | 100.7 | 61% | 0.607 | 52% | 0.522 | S | S | * | . | H | α-helix | trans | -96.4 | -5.9 | 174.3 | 58.7 | 0 | 0 | 0 | 0 | 114.1 | F18 I19 K24 | F18-T22 WeakPolarHBondContact O-CB 3.49Å; F18-T22 VanDerWaalsContact O-CG2 3.28Å; F18-T22 WeakPolarHBondContact O-CG2 2.93Å; F18-T22 PolarHBondContact O-N 2.99Å; F18-T22 PolarHBondContact O-OG1 3.04Å; I19-T22 WeakPolarHBondContact CA-OG1 3.04Å; I19-T22 CarbonylContact O-C 3.57Å; I19-T22 PolarHBondContact O-N 2.76Å; I19-T22 PolarHBondContact O-OG1 2.92Å; T22-K24 PolarHBondContact O-N 2.83Å |
| 23 | M | 42.1 | Very low | 61.9 | Low | 139 Ų | 139 | 99 Ų | 99 | 69% | 0.685 | 51% | 0.51 | S | S | * | . | S | Bend | trans | -67.4 | 79.1 | 155.8 | -67.6 | -137.1 | 73.1 | 0 | 0 | 106.6 | I19 Q25 | I19-M23 VanDerWaalsContact O-CG 3.32Å; I19-M23 WeakPolarHBondContact O-CG 3.42Å; I19-M23 PolarHBondContact O-N 3.34Å; M23-Q25 VanDerWaalsContact C-N 3.33Å; M23-Q25 PolarHBondContact O-N 3.11Å |
| 24 | K | 45.3 | Very low | 63.6 | Low | 192 Ų | 192 | 97 Ų | 97 | 84% | 0.835 | 50% | 0.499 | S | S | * | . | trans | -46.2 | 108.6 | 162.7 | -162.3 | -176.5 | -173.8 | -171.6 | 0 | 104.1 | T22 S26 | T22-K24 PolarHBondContact O-N 2.83Å; K24-S26 VanDerWaalsContact C-N 3.27Å; K24-S26 PolarHBondContact O-N 2.94Å | ||
| 25 | Q | 48.2 | Very low | 65.2 | Low | 157 Ų | 157 | 99.5 Ų | 99.5 | 73% | 0.734 | 52% | 0.52 | S | S | * | . | trans | -53.6 | 102.6 | 177.9 | -164.8 | 169.9 | 1 | 0 | 0 | 104.7 | M23 E27 | M23-Q25 VanDerWaalsContact C-N 3.33Å; M23-Q25 PolarHBondContact O-N 3.11Å; Q25-E27 HydrophobicContact CB-CG 4.37Å; Q25-E27 HydrophobicContact CG-CG 4.17Å; Q25-E27 PolarHBondContact O-N 3.38Å | ||
| 26 | S | 54.8 | Low | 66.9 | Low | 71 Ų | 71 | 103.6 Ų | 103.6 | 50% | 0.497 | 53% | 0.531 | S | S | . | . | trans | -74.6 | 89 | -179.8 | -163.9 | 0 | 0 | 0 | 0 | 103.8 | K24 D28 Y131 | K24-S26 VanDerWaalsContact C-N 3.27Å; K24-S26 PolarHBondContact O-N 2.94Å; S26-D28 PolarHBondContact O-N 3.4Å; S26-Y131 VanDerWaalsContact OG-CE2 3.26Å; S26-Y131 WeakPolarHBondContact OG-CE2 3.41Å; S26-Y131 VanDerWaalsContact OG-CZ 3.25Å; S26-Y131 PolarHBondContact OG-OH 2.93Å | ||
| 27 | E | 58.3 | Low | 68.8 | Low | 93 Ų | 93 | 99.8 Ų | 99.8 | 44% | 0.435 | 52% | 0.521 | S | S | . | . | trans | -71.5 | 99.7 | -169.6 | -69.7 | -158.7 | 157.4 | 0 | 0 | 109.2 | Q25 F29 R56 | Q25-E27 HydrophobicContact CB-CG 4.37Å; Q25-E27 HydrophobicContact CG-CG 4.17Å; Q25-E27 PolarHBondContact O-N 3.38Å; E27-F29 PolarHBondContact O-N 3.01Å; E27-R56 PolarHBondContact O-NH1 2.88Å; E27-R56 VanDerWaalsContact O-NH1 3.16Å | ||
| 28 | D | 74.1 | Confident | 70.8 | Confident | 133 Ų | 133 | 96.6 Ų | 96.6 | 71% | 0.711 | 50% | 0.504 | S | S | * | . | trans | -47 | 125.7 | 163.7 | -161.6 | 14.2 | 0 | 0 | 0 | 109 | S26 | S26-D28 PolarHBondContact O-N 3.4Š| ||
| 29 | F | 85.3 | Confident | 72.8 | Confident | 11 Ų | 11 | 94.3 Ų | 94.3 | 5% | 0.048 | 50% | 0.498 | C | S | . | . | trans | -120.2 | 152.7 | -178.4 | 71.7 | -93.7 | 0 | 0 | 0 | 110.6 | E27 V31 L52 L53 F126 D128 | E27-F29 PolarHBondContact O-N 3.01Å; F29-V31 HydrophobicContact CD2-CG2 4.39Å; F29-V31 HydrophobicContact CE2-CG2 4.22Å; F29-L52 HydrophobicContact CB-CD2 3.71Å; F29-L52 HydrophobicContact CB-CG 4.23Å; F29-L52 HydrophobicContact CD2-CD1 3.79Å; F29-L52 HydrophobicContact CD2-CD2 4.22Å; F29-L52 HydrophobicContact CD2-CG 3.81Å; F29-L52 HydrophobicContact CE2-CD1 4.12Å; F29-L52 HydrophobicContact CG-CD1 4.22Å; F29-L52 HydrophobicContact CG-CD2 4.12Å; F29-L52 HydrophobicContact CG-CG 4.21Å; F29-L53 WeakPolarHBondContact CA-O 3.29Å; F29-F126 HydrophobicContact CE2-CB 3.72Å; F29-F126 HydrophobicContact CZ-CB 4.16Å; F29-D128 HydrophobicContact CE1-CB 3.98Å; F29-D128 HydrophobicContact CZ-CB 4.45Å | ||
| 30 | R | 88.8 | Confident | 74.9 | Confident | 166 Ų | 166 | 90.2 Ų | 90.2 | 63% | 0.626 | 48% | 0.477 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -124.3 | 155.6 | 171 | 69.2 | -177.9 | -176.9 | -155.9 | 1.4 | 110.8 | L53 | R30-L53 HydrophobicContact CG-CB 3.96Å; R30-L53 PolarHBondContact N-O 3Å; R30-L53 PolarHBondContact O-N 2.81Å |
| 31 | V | 91.5 | Very high | 77 | Confident | 11 Ų | 11 | 85.5 Ų | 85.5 | 7% | 0.067 | 46% | 0.457 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106 | 134 | 175.6 | -172.3 | 0 | 0 | 0 | 0 | 108.2 | F29 C50 Q51 F126 G133 T135 | F29-V31 HydrophobicContact CD2-CG2 4.39Å; F29-V31 HydrophobicContact CE2-CG2 4.22Å; V31-C50 HydrophobicContact CG1-CB 3.94Å; V31-Q51 WeakPolarHBondContact CA-O 3.36Å; V31-F126 HydrophobicContact CB-CD2 4.27Å; V31-F126 HydrophobicContact CG1-CD2 3.73Å; V31-F126 HydrophobicContact CG1-CE2 3.64Å; V31-F126 HydrophobicContact CG2-CB 3.96Å; V31-F126 HydrophobicContact CG2-CD2 3.44Å; V31-F126 VanDerWaalsContact CG2-CD2 3.44Å; V31-F126 HydrophobicContact CG2-CE2 4.11Å; V31-F126 HydrophobicContact CG2-CG 3.93Å; V31-G133 VanDerWaalsContact CG2-C 3.44Å; V31-G133 VanDerWaalsContact CG2-O 3.25Å; V31-G133 WeakPolarHBondContact CG2-O 3.35Å; V31-T135 HydrophobicContact CB-CG2 4.39Å; V31-T135 HydrophobicContact CG1-CG2 3.66Å |
| 32 | I | 92.6 | Very high | 79.1 | Confident | 59 Ų | 59 | 81 Ų | 81 | 30% | 0.303 | 44% | 0.435 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.2 | 134.5 | 175.3 | 55 | 158.1 | 0 | 0 | 0 | 109.9 | C50 Q51 L53 | I32-C50 WeakPolarHBondContact O-CA 3.32Å; I32-Q51 HydrophobicContact CD1-CB 4.3Å; I32-Q51 HydrophobicContact CD1-CG 4.46Å; I32-Q51 HydrophobicContact CG1-CB 3.96Å; I32-Q51 HydrophobicContact CG1-CG 4.4Å; I32-Q51 VanDerWaalsContact CG1-O 3.28Å; I32-Q51 WeakPolarHBondContact CG1-O 2.96Å; I32-Q51 PolarHBondContact N-O 3.05Å; I32-Q51 PolarHBondContact O-N 3.07Å; I32-L53 HydrophobicContact CD1-CD1 3.56Å; I32-L53 HydrophobicContact CD1-CG 3.99Å; I32-L53 HydrophobicContact CG1-CD1 3.89Å; I32-L53 HydrophobicContact CG1-CG 4.06Å; I32-L53 HydrophobicContact CG2-CD1 3.85Å |
| 33 | G | 91.5 | Very high | 81.3 | Confident | 26 Ų | 26 | 78.2 Ų | 78.2 | 27% | 0.268 | 43% | 0.425 | S | S | . | . | trans | -105.6 | -179.5 | 174.8 | 0 | 0 | 0 | 0 | 0 | 111.9 | T135 | G33-T135 PolarHBondContact N-OG1 2.98Š| ||
| 34 | P | 92.2 | Very high | 83.8 | Confident | 44 Ų | 44 | 77.3 Ų | 77.3 | 29% | 0.286 | 42% | 0.42 | S | S | . | . | trans | -61.2 | 141.7 | 171.8 | 28.7 | -36.5 | 0 | 0 | 0 | 110.9 | H36 I38 T49 L137 | P34-H36 VanDerWaalsContact C-N 3.34Å; P34-I38 HydrophobicContact CG-CD1 4.02Å; P34-I38 HydrophobicContact CG-CG1 4.15Å; P34-T49 WeakPolarHBondContact CD-O 3.48Å; P34-L137 HydrophobicContact CG-CB 3.95Å | ||
| 35 | A | 89.3 | Confident | 86.2 | Confident | 98 Ų | 98 | 71.8 Ų | 71.8 | 81% | 0.81 | 40% | 0.399 | S | S | * | . | S | Bend | trans | -77.3 | -21.2 | 178.1 | 0 | 0 | 0 | 0 | 0 | 113.3 | ||
| 36 | H | 92.2 | Very high | 88.4 | Confident | 151 Ų | 151 | 64.5 Ų | 64.5 | 70% | 0.699 | 37% | 0.366 | S | S | * | . | S | Bend | trans | -117.6 | 154.8 | -179.4 | -58.1 | 96 | 0 | 0 | 0 | 110 | P34 | P34-H36 VanDerWaalsContact C-N 3.34Š|
| 37 | P | 93.5 | Very high | 90.2 | Very high | 62 Ų | 62 | 65 Ų | 65 | 40% | 0.403 | 36% | 0.363 | S | S | . | . | P | Polyproline II helix | trans | -57.2 | 142.1 | 174.3 | -22.1 | 33.6 | 0 | 0 | 0 | 111.4 | L138 K140 | P37-L138 CarbonylContact C-O 3.52Å; P37-L138 VanDerWaalsContact CA-O 3.28Å; P37-L138 WeakPolarHBondContact CA-O 3.26Å; P37-L138 HydrophobicContact CB-CB 4.27Å; P37-L138 HydrophobicContact CB-CD2 4.22Å; P37-L138 HydrophobicContact CB-CG 4.32Å; P37-L138 HydrophobicContact CG-CD2 4.03Å; P37-K140 HydrophobicContact CB-CD 4.01Å; P37-K140 HydrophobicContact CB-CG 4Å; P37-K140 HydrophobicContact CG-CD 4.37Å |
| 38 | I | 95.1 | Very high | 91.9 | Very high | 30 Ų | 30 | 60.6 Ų | 60.6 | 15% | 0.154 | 34% | 0.342 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -81.9 | 123.5 | 170.8 | -60.8 | 165.2 | 0 | 0 | 0 | 106.5 | P34 L48 L137 L138 L139 K140 | P34-I38 HydrophobicContact CG-CD1 4.02Å; P34-I38 HydrophobicContact CG-CG1 4.15Å; I38-L48 HydrophobicContact CD1-CD2 3.65Å; I38-L137 HydrophobicContact CD1-CD1 4.18Å; I38-L138 PolarHBondContact N-O 3.12Å; I38-L139 HydrophobicContact CB-CD1 4.18Å; I38-L139 HydrophobicContact CG2-CD1 3.98Å; I38-K140 PolarHBondContact O-N 3.12Å |
| 39 | L | 95.3 | Very high | 92.8 | Very high | 96 Ų | 96 | 57.1 Ų | 57.1 | 50% | 0.503 | 33% | 0.325 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.7 | 131.7 | 176.3 | 178.9 | 64 | 0 | 0 | 0 | 109 | K140 A142 V224 L225 | L39-K140 WeakPolarHBondContact CA-O 3.21Å; L39-K140 HydrophobicContact CD1-CB 4.46Å; L39-A142 HydrophobicContact CD1-CB 4.26Å; L39-V224 HydrophobicContact CD1-CG1 3.7Å; L39-L225 HydrophobicContact CD1-CD2 3.97Å; L39-L225 HydrophobicContact CD2-CD2 3.73Å; L39-L225 HydrophobicContact CG-CD2 4.22Å |
| 40 | A | 96.3 | Very high | 93.2 | Very high | 5 Ų | 5 | 56.9 Ų | 56.9 | 4% | 0.041 | 33% | 0.325 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.9 | 141.4 | 175.3 | 0 | 0 | 0 | 0 | 0 | 111.4 | A46 I114 L139 K140 V141 A142 | A40-A46 HydrophobicContact CB-CB 3.8Å; A40-I114 HydrophobicContact CB-CG1 4.16Å; A40-I114 HydrophobicContact CB-CG2 4.36Å; A40-L139 HydrophobicContact CB-CD1 3.98Å; A40-K140 PolarHBondContact N-O 2.9Å; A40-V141 WeakPolarHBondContact O-CA 3.22Å; A40-A142 PolarHBondContact O-N 3.45Å |
| 41 | G | 95 | Very high | 93.2 | Very high | 16 Ų | 16 | 50.9 Ų | 50.9 | 17% | 0.165 | 30% | 0.304 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -71.8 | 147.2 | 172.1 | 0 | 0 | 0 | 0 | 0 | 112.4 | G43 E44 A142 | G41-G43 PolarHBondContact O-N 3.38Å; G41-E44 WeakPolarHBondContact CA-OE2 3.37Å; G41-E44 PolarHBondContact N-OE2 3.37Å; G41-E44 VanDerWaalsContact N-OE2 3.14Å; G41-E44 WeakPolarHBondContact O-CB 3.31Å; G41-E44 PolarHBondContact O-N 2.75Å; G41-E44 VanDerWaalsContact O-N 3.13Å; G41-A142 CarbonylContact C-O 3.51Å; G41-A142 WeakPolarHBondContact CA-O 3.36Å |
| 42 | V | 94.3 | Very high | 93.1 | Very high | 43 Ų | 43 | 50.4 Ų | 50.4 | 26% | 0.261 | 30% | 0.301 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -60 | 129.7 | 165.3 | 177.4 | 0 | 0 | 0 | 0 | 109.3 | E44 I114 P116 V141 A142 F170 L199 | V42-E44 VanDerWaalsContact C-N 3.25Å; V42-E44 PolarHBondContact O-N 2.74Å; V42-I114 CarbonylContact C-O 3.55Å; V42-I114 WeakPolarHBondContact CA-O 3.24Å; V42-P116 HydrophobicContact CG2-CG 4.22Å; V42-V141 HydrophobicContact CG2-CG1 3.65Å; V42-A142 PolarHBondContact N-O 3.14Å; V42-F170 HydrophobicContact CG2-CB 4.26Å; V42-L199 HydrophobicContact CG1-CD2 4.33Å; V42-L199 HydrophobicContact CG2-CD2 4.28Å |
| 43 | G | 92.3 | Very high | 92.7 | Very high | 39 Ų | 39 | 49.6 Ų | 49.6 | 40% | 0.402 | 30% | 0.297 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 80.7 | -5.5 | -176.5 | 0 | 0 | 0 | 0 | 0 | 115 | G41 N113 I114 | G41-G43 PolarHBondContact O-N 3.38Å; G43-N113 WeakPolarHBondContact CA-OD1 3.31Å; G43-I114 PolarHBondContact N-O 2.75Å |
| 44 | E | 94.2 | Very high | 92.5 | Very high | 121 Ų | 121 | 51.2 Ų | 51.2 | 57% | 0.565 | 30% | 0.303 | S | S | * | . | S | Bend | trans | -88 | 178.4 | 174.1 | -60.5 | -170.5 | 152.3 | 0 | 0 | 111.7 | G41 V42 N113 I114 | G41-E44 WeakPolarHBondContact CA-OE2 3.37Å; G41-E44 PolarHBondContact N-OE2 3.37Å; G41-E44 VanDerWaalsContact N-OE2 3.14Å; G41-E44 WeakPolarHBondContact O-CB 3.31Å; G41-E44 PolarHBondContact O-N 2.75Å; G41-E44 VanDerWaalsContact O-N 3.13Å; V42-E44 VanDerWaalsContact C-N 3.25Å; V42-E44 PolarHBondContact O-N 2.74Å; E44-N113 WeakPolarHBondContact O-CA 3.45Å; E44-N113 PolarHBondContact O-N 3.46Å; E44-N113 VanDerWaalsContact O-N 3.17Å; E44-I114 WeakPolarHBondContact O-CB 3.42Å; E44-I114 WeakPolarHBondContact O-CG1 3.47Å; E44-I114 PolarHBondContact O-N 3.33Å |
| 45 | D | 94.8 | Very high | 92.2 | Very high | 75 Ų | 75 | 55.5 Ų | 55.5 | 40% | 0.401 | 32% | 0.317 | S | S | . | . | trans | -97.5 | 137.1 | 173.3 | -62.4 | -21 | 0 | 0 | 0 | 110.4 | K110 I111 H112 N113 | D45-K110 HydrophobicContact CB-CG 4.36Å; D45-K110 WeakPolarHBondContact OD2-CE 3.21Å; D45-K110 IonicContact OD2-NZ 3.77Å; D45-K110 PolarHBondContact OD2-NZ 3.35Å; D45-I111 CarbonylContact C-O 3.5Å; D45-I111 VanDerWaalsContact CA-O 3.26Å; D45-I111 WeakPolarHBondContact CA-O 3.31Å; D45-H112 VanDerWaalsContact CG-ND1 3.33Å; D45-H112 VanDerWaalsContact OD1-CA 3.25Å; D45-H112 WeakPolarHBondContact OD1-CA 3.41Å; D45-H112 IonicContact OD1-CG 3.07Å; D45-H112 IonicContact OD1-ND1 3.32Å; D45-H112 PolarHBondContact OD1-ND1 3.22Å; D45-H112 IonicContact OD2-CE1 3.15Å; D45-H112 IonicContact OD2-ND1 2.68Å; D45-H112 PolarHBondContact OD2-ND1 2.81Å; D45-N113 PolarHBondContact OD1-N 3.23Å | ||
| 46 | A | 94.5 | Very high | 91.7 | Very high | 4 Ų | 4 | 53.6 Ų | 53.6 | 3% | 0.033 | 29% | 0.289 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105 | 142.7 | 170 | 0 | 0 | 0 | 0 | 0 | 111.4 | A40 K110 I111 I114 L139 | A40-A46 HydrophobicContact CB-CB 3.8Å; A46-K110 CarbonylContact O-C 3.52Å; A46-K110 VanDerWaalsContact O-CA 3.3Å; A46-K110 WeakPolarHBondContact O-CA 3.41Å; A46-I111 PolarHBondContact N-O 2.92Å; A46-I111 PolarHBondContact O-N 3.22Å; A46-I114 HydrophobicContact CB-CD1 3.65Å; A46-I114 HydrophobicContact CB-CG1 3.8Å; A46-L139 HydrophobicContact CB-CD1 3.86Å; A46-L139 HydrophobicContact CB-CD2 4.41Å |
| 47 | L | 94.2 | Very high | 91 | Very high | 83 Ų | 83 | 49.6 Ų | 49.6 | 44% | 0.435 | 28% | 0.275 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -113 | 107.7 | 175 | -170.2 | 70.9 | 0 | 0 | 0 | 110.6 | T49 I98 A108 K110 | L47-T49 HydrophobicContact CD2-CG2 4.05Å; L47-T49 HydrophobicContact CG-CG2 3.95Å; L47-I98 HydrophobicContact CD1-CG1 3.95Å; L47-A108 HydrophobicContact CD1-CB 3.87Å; L47-A108 HydrophobicContact CG-CB 4.24Å; L47-K110 HydrophobicContact CD1-CB 3.93Å; L47-K110 HydrophobicContact CD1-CG 4.47Å |
| 48 | L | 94.1 | Very high | 89.7 | Confident | 0 Ų | 0 | 46.8 Ų | 46.8 | 0% | 0 | 26% | 0.257 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.4 | 122.5 | 176.3 | -49.1 | -173.8 | 0 | 0 | 0 | 109.4 | I38 W65 A108 L109 I111 Y122 L137 L139 | I38-L48 HydrophobicContact CD1-CD2 3.65Å; L48-W65 HydrophobicContact CB-CE3 4.13Å; L48-W65 HydrophobicContact CB-CH2 3.68Å; L48-W65 HydrophobicContact CB-CZ2 4.5Å; L48-W65 HydrophobicContact CB-CZ3 3.45Å; L48-W65 VanDerWaalsContact CB-CZ3 3.45Å; L48-W65 HydrophobicContact CD1-CE3 4.16Å; L48-W65 HydrophobicContact CD1-CZ3 4.17Å; L48-W65 HydrophobicContact CG-CZ3 4.46Å; L48-W65 WeakPolarHBondContact O-CH2 3.42Å; L48-A108 CarbonylContact O-C 3.56Å; L48-A108 WeakPolarHBondContact O-CA 3.23Å; L48-L109 HydrophobicContact CB-CB 4.5Å; L48-L109 PolarHBondContact N-O 2.99Å; L48-L109 PolarHBondContact O-N 3.43Å; L48-I111 HydrophobicContact CD1-CD1 3.62Å; L48-I111 HydrophobicContact CD1-CG1 4.37Å; L48-I111 HydrophobicContact CG-CD1 4.23Å; L48-Y122 HydrophobicContact CD1-CD1 3.7Å; L48-Y122 HydrophobicContact CD1-CD2 4.46Å; L48-Y122 HydrophobicContact CD1-CE1 4.11Å; L48-Y122 HydrophobicContact CD1-CG 3.91Å; L48-L137 HydrophobicContact CB-CD1 3.88Å; L48-L137 HydrophobicContact CD1-CD1 3.93Å; L48-L137 HydrophobicContact CD2-CD1 3.72Å; L48-L137 HydrophobicContact CG-CD1 4.04Å; L48-L139 HydrophobicContact CD2-CD1 4.37Å |
| 49 | T | 92.8 | Very high | 88.3 | Confident | 59 Ų | 59 | 50.9 Ų | 50.9 | 36% | 0.362 | 28% | 0.277 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -125 | 136.9 | -174 | 64.6 | 0 | 0 | 0 | 0 | 112.3 | P34 L47 V107 A108 | P34-T49 WeakPolarHBondContact CD-O 3.48Å; L47-T49 HydrophobicContact CD2-CG2 4.05Å; L47-T49 HydrophobicContact CG-CG2 3.95Å; T49-V107 WeakPolarHBondContact CA-O 3.33Å; T49-A108 HydrophobicContact CG2-CB 3.86Å |
| 50 | C | 92.3 | Very high | 87.1 | Confident | 6 Ų | 6 | 53.3 Ų | 53.3 | 4% | 0.041 | 29% | 0.286 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.7 | 158.3 | 169.1 | -67.6 | 0 | 0 | 0 | 0 | 111.2 | V31 I32 W65 V107 C124 F126 T135 L137 | V31-C50 HydrophobicContact CG1-CB 3.94Å; I32-C50 WeakPolarHBondContact O-CA 3.32Å; C50-W65 HydrophobicContact CB-CH2 4.27Å; C50-V107 HydrophobicContact CB-CG2 4.29Å; C50-V107 PolarHBondContact N-O 2.79Å; C50-V107 PolarHBondContact O-N 3.36Å; C50-C124 HydrophobicContact CB-CB 3.72Å; C50-C124 VanDerWaalsContact CB-SG 3.52Å; C50-C124 WeakPolarHBondContact SG-CB 3.39Å; C50-F126 HydrophobicContact CB-CE2 4.35Å; C50-T135 HydrophobicContact CB-CG2 4.2Å; C50-T135 WeakPolarHBondContact SG-CG2 3.42Å; C50-L137 WeakPolarHBondContact SG-CD2 3.42Å |
| 51 | Q | 90.4 | Very high | 86.3 | Confident | 41 Ų | 41 | 53.4 Ų | 53.4 | 19% | 0.192 | 29% | 0.285 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.4 | 138.6 | -177.9 | 172.7 | 173.9 | 57.5 | 0 | 0 | 111.4 | V31 I32 K55 G105 N106 | V31-Q51 WeakPolarHBondContact CA-O 3.36Å; I32-Q51 HydrophobicContact CD1-CB 4.3Å; I32-Q51 HydrophobicContact CD1-CG 4.46Å; I32-Q51 HydrophobicContact CG1-CB 3.96Å; I32-Q51 HydrophobicContact CG1-CG 4.4Å; I32-Q51 VanDerWaalsContact CG1-O 3.28Å; I32-Q51 WeakPolarHBondContact CG1-O 2.96Å; I32-Q51 PolarHBondContact N-O 3.05Å; I32-Q51 PolarHBondContact O-N 3.07Å; Q51-K55 VanDerWaalsContact NE2-CE 3.29Å; Q51-G105 WeakPolarHBondContact CA-O 3.48Å; Q51-N106 VanDerWaalsContact CD-OD1 3.25Å; Q51-N106 WeakPolarHBondContact CG-OD1 2.99Å; Q51-N106 PolarHBondContact NE2-OD1 3.01Å |
| 52 | L | 89.3 | Confident | 86 | Confident | 0 Ų | 0 | 53.7 Ų | 53.7 | 0% | 0 | 28% | 0.282 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.3 | 134.4 | 174 | -160.5 | 153.3 | 0 | 0 | 0 | 110.6 | F29 P54 R56 T58 G105 F126 | F29-L52 HydrophobicContact CB-CD2 3.71Å; F29-L52 HydrophobicContact CB-CG 4.23Å; F29-L52 HydrophobicContact CD2-CD1 3.79Å; F29-L52 HydrophobicContact CD2-CD2 4.22Å; F29-L52 HydrophobicContact CD2-CG 3.81Å; F29-L52 HydrophobicContact CE2-CD1 4.12Å; F29-L52 HydrophobicContact CG-CD1 4.22Å; F29-L52 HydrophobicContact CG-CD2 4.12Å; F29-L52 HydrophobicContact CG-CG 4.21Å; L52-P54 VanDerWaalsContact CD2-O 3.3Å; L52-P54 WeakPolarHBondContact CD2-O 3.33Å; L52-R56 HydrophobicContact CD2-CG 3.73Å; L52-T58 HydrophobicContact CD1-CG2 4.23Å; L52-G105 PolarHBondContact N-O 2.89Å; L52-F126 HydrophobicContact CB-CE1 4.37Å; L52-F126 HydrophobicContact CD1-CB 4.49Å; L52-F126 HydrophobicContact CD1-CD1 3.65Å; L52-F126 HydrophobicContact CD1-CE1 4.05Å; L52-F126 HydrophobicContact CD1-CG 4.23Å |
| 53 | L | 84.1 | Confident | 85.7 | Confident | 42 Ų | 42 | 51.7 Ų | 51.7 | 22% | 0.22 | 27% | 0.27 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.7 | 132.2 | 174.6 | -70.2 | 179.8 | 0 | 0 | 0 | 110.8 | F29 R30 I32 K55 | F29-L53 WeakPolarHBondContact CA-O 3.29Å; R30-L53 HydrophobicContact CG-CB 3.96Å; R30-L53 PolarHBondContact N-O 3Å; R30-L53 PolarHBondContact O-N 2.81Å; I32-L53 HydrophobicContact CD1-CD1 3.56Å; I32-L53 HydrophobicContact CD1-CG 3.99Å; I32-L53 HydrophobicContact CG1-CD1 3.89Å; I32-L53 HydrophobicContact CG1-CG 4.06Å; I32-L53 HydrophobicContact CG2-CD1 3.85Å; L53-K55 HydrophobicContact CD2-CG 4.34Å |
| 54 | P | 85.7 | Confident | 85.7 | Confident | 61 Ų | 61 | 53.9 Ų | 53.9 | 40% | 0.396 | 27% | 0.267 | S | S | . | . | S | Bend | cis | -65.6 | 155.5 | -4.2 | 28.8 | -34.8 | 0 | 0 | 0 | 112.9 | L52 R56 | L52-P54 VanDerWaalsContact CD2-O 3.3Å; L52-P54 WeakPolarHBondContact CD2-O 3.33Å; P54-R56 PolarHBondContact O-N 3.01Å |
| 55 | K | 85.9 | Confident | 85.5 | Confident | 134 Ų | 134 | 48.2 Ų | 48.2 | 58% | 0.583 | 24% | 0.24 | S | C | * | . | trans | -63.9 | 118 | -176.5 | -65.6 | -176.1 | -173.4 | -174.8 | 0 | 110.6 | Q51 L53 K104 | Q51-K55 VanDerWaalsContact NE2-CE 3.29Å; L53-K55 HydrophobicContact CD2-CG 4.34Å; K55-K104 WeakPolarHBondContact CB-O 3.37Å | ||
| 56 | R | 80.1 | Confident | 85.2 | Confident | 57 Ų | 57 | 46.9 Ų | 46.9 | 22% | 0.215 | 23% | 0.23 | C | C | . | . | trans | -150.1 | 166.5 | 177.8 | 62.7 | -173.7 | -165.1 | -178.4 | 13.2 | 110.4 | E27 L52 P54 K104 G105 D128 | E27-R56 PolarHBondContact O-NH1 2.88Å; E27-R56 VanDerWaalsContact O-NH1 3.16Å; L52-R56 HydrophobicContact CD2-CG 3.73Å; P54-R56 PolarHBondContact O-N 3.01Å; R56-K104 CarbonylContact O-C 3.55Å; R56-G105 WeakPolarHBondContact O-CA 3.46Å; R56-G105 PolarHBondContact O-N 2.72Å; R56-D128 IonicContact CZ-OD2 2.96Å; R56-D128 IonicContact NH2-OD2 3.76Å; R56-D128 PolarHBondContact NH2-OD2 3.42Å | ||
| 57 | T | 76.1 | Confident | 85 | Confident | 67 Ų | 67 | 48.5 Ų | 48.5 | 41% | 0.411 | 24% | 0.235 | S | C | . | . | trans | -64.3 | 142.8 | 179.8 | -172.9 | 0 | 0 | 0 | 0 | 112 | M59 I102 | T57-M59 WeakPolarHBondContact OG1-CG 3.43Å; T57-M59 PolarHBondContact OG1-N 2.75Å; T57-I102 WeakPolarHBondContact CA-O 3.16Å | ||
| 58 | T | 66.8 | Low | 84.3 | Confident | 4 Ų | 4 | 46.2 Ų | 46.2 | 3% | 0.025 | 23% | 0.226 | C | C | . | . | trans | -108.2 | 14.1 | 175.4 | 53.3 | 0 | 0 | 0 | 0 | 113.1 | L52 H60 V61 I102 F126 | L52-T58 HydrophobicContact CD1-CG2 4.23Å; T58-H60 PolarHBondContact O-N 3.25Å; T58-H60 VanDerWaalsContact O-N 3.13Å; T58-V61 HydrophobicContact CG2-CB 4.45Å; T58-V61 PolarHBondContact O-N 2.96Å; T58-V61 VanDerWaalsContact O-N 3.09Å; T58-I102 PolarHBondContact N-O 3.28Å; T58-I102 VanDerWaalsContact N-O 3.14Å; T58-I102 WeakPolarHBondContact OG1-CG2 3.28Å; T58-I102 PolarHBondContact OG1-O 3.19Å; T58-F126 HydrophobicContact CG2-CD1 4.24Å; T58-F126 HydrophobicContact CG2-CE1 3.66Å | ||
| 59 | M | 65.5 | Low | 83.2 | Confident | 116 Ų | 116 | 54.2 Ų | 54.2 | 57% | 0.571 | 26% | 0.263 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -57 | -27.8 | -178.8 | -78 | 176 | 168.4 | 0 | 0 | 114.9 | T57 I102 | T57-M59 WeakPolarHBondContact OG1-CG 3.43Å; T57-M59 PolarHBondContact OG1-N 2.75Å; M59-I102 HydrophobicContact CG-CG2 4.04Å |
| 60 | H | 69.4 | Low | 81.9 | Confident | 147 Ų | 147 | 56.2 Ų | 56.2 | 68% | 0.681 | 28% | 0.277 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -118.5 | 16.9 | 179.2 | -57.3 | -55.2 | 0 | 0 | 0 | 112.3 | T58 | T58-H60 PolarHBondContact O-N 3.25Å; T58-H60 VanDerWaalsContact O-N 3.13Å |
| 61 | V | 81.5 | Confident | 80.9 | Confident | 6 Ų | 6 | 60.3 Ų | 60.3 | 4% | 0.036 | 31% | 0.306 | C | S | . | . | S | Bend | trans | -105.8 | 129.7 | 179.9 | -176.2 | 0 | 0 | 0 | 0 | 107.6 | T58 F126 Q127 D128 | T58-V61 HydrophobicContact CG2-CB 4.45Å; T58-V61 PolarHBondContact O-N 2.96Å; T58-V61 VanDerWaalsContact O-N 3.09Å; V61-F126 HydrophobicContact CG1-CB 4.15Å; V61-F126 HydrophobicContact CG1-CD1 3.73Å; V61-F126 HydrophobicContact CG1-CG 4.43Å; V61-Q127 WeakPolarHBondContact CG1-O 3.38Å; V61-D128 HydrophobicContact CG1-CB 4.25Å; V61-D128 HydrophobicContact CG2-CB 4.22Å |
| 62 | E | 87.6 | Confident | 80.4 | Confident | 22 Ų | 22 | 59 Ų | 59 | 10% | 0.103 | 30% | 0.301 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -77.9 | 132.1 | 174.4 | 171 | 176.9 | 173.5 | 0 | 0 | 109.8 | R64 H77 R78 F126 Q127 | E62-R64 HydrophobicContact CG-CG 4.31Å; E62-R64 IonicContact OE1-CZ 2.64Å; E62-R64 IonicContact OE1-NE 3.84Å; E62-R64 PolarHBondContact OE1-NE 3.42Å; E62-R64 IonicContact OE1-NH2 3.08Å; E62-R64 PolarHBondContact OE1-NH2 3.04Å; E62-R64 IonicContact OE2-NH2 2.7Å; E62-H77 CarbonylContact C-O 3.53Å; E62-H77 VanDerWaalsContact CA-O 3.3Å; E62-H77 WeakPolarHBondContact CA-O 3.49Å; E62-R78 HydrophobicContact CB-CB 4.43Å; E62-R78 HydrophobicContact CB-CG 4.28Å; E62-R78 VanDerWaalsContact CD-NH2 3.3Å; E62-R78 HydrophobicContact CG-CB 4.24Å; E62-R78 HydrophobicContact CG-CG 4.42Å; E62-R78 IonicContact OE1-CZ 3.16Å; E62-R78 IonicContact OE1-NE 3.3Å; E62-R78 IonicContact OE1-NH2 4Å; E62-R78 PolarHBondContact OE1-NH2 2.96Å; E62-R78 IonicContact OE2-CZ 2.75Å; E62-R78 IonicContact OE2-NE 2.82Å; E62-R78 PolarHBondContact OE2-NE 2.86Å; E62-R78 IonicContact OE2-NH2 3.9Å; E62-R78 PolarHBondContact OE2-NH2 2Å; E62-F126 CarbonylContact O-C 3.6Å; E62-F126 WeakPolarHBondContact O-CA 3.17Å; E62-Q127 HydrophobicContact CB-CB 4.16Å; E62-Q127 PolarHBondContact N-O 2.72Å; E62-Q127 PolarHBondContact O-N 3.45Å |
| 63 | V | 89.2 | Confident | 80 | Confident | 1 Ų | 1 | 61.3 Ų | 61.3 | 1% | 0.006 | 32% | 0.316 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.3 | 127.1 | 180 | -174.7 | 0 | 0 | 0 | 0 | 109 | V76 H77 W97 V107 H125 F126 | V63-V76 WeakPolarHBondContact O-CA 2.94Å; V63-H77 PolarHBondContact N-O 3.41Å; V63-H77 PolarHBondContact O-N 3.32Å; V63-W97 HydrophobicContact CB-CH2 4.06Å; V63-W97 HydrophobicContact CB-CZ3 4.47Å; V63-W97 HydrophobicContact CG1-CH2 4.05Å; V63-W97 HydrophobicContact CG1-CZ3 4.17Å; V63-W97 HydrophobicContact CG2-CH2 4.2Å; V63-V107 HydrophobicContact CG1-CG2 4.13Å; V63-V107 HydrophobicContact CG2-CG1 4.26Å; V63-H125 CarbonylContact C-O 3.43Å; V63-H125 WeakPolarHBondContact CA-O 3.14Å; V63-F126 HydrophobicContact CG1-CE2 4.35Å; V63-F126 HydrophobicContact CG1-CZ 4.38Å; V63-F126 HydrophobicContact CG2-CD1 3.71Å; V63-F126 HydrophobicContact CG2-CE1 3.62Å; V63-F126 HydrophobicContact CG2-CG 4.36Å; V63-F126 HydrophobicContact CG2-CZ 4.22Å |
| 64 | R | 90.2 | Very high | 80 | Confident | 86 Ų | 86 | 59.3 Ų | 59.3 | 33% | 0.325 | 31% | 0.306 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.8 | 137 | 178.4 | -56.6 | -179.2 | -177.3 | 162.6 | 5.7 | 110.2 | E62 F75 V76 H125 | E62-R64 HydrophobicContact CG-CG 4.31Å; E62-R64 IonicContact OE1-CZ 2.64Å; E62-R64 IonicContact OE1-NE 3.84Å; E62-R64 PolarHBondContact OE1-NE 3.42Å; E62-R64 IonicContact OE1-NH2 3.08Å; E62-R64 PolarHBondContact OE1-NH2 3.04Å; E62-R64 IonicContact OE2-NH2 2.7Å; R64-F75 WeakPolarHBondContact CA-O 3.15Å; R64-V76 HydrophobicContact CG-CG1 4.21Å; R64-V76 HydrophobicContact CG-CG2 4.23Å; R64-H125 HydrophobicContact CB-CB 4.24Å; R64-H125 PolarHBondContact N-O 2.97Å; R64-H125 PolarHBondContact O-N 2.81Å |
| 65 | W | 91.3 | Very high | 80.1 | Confident | 1 Ų | 1 | 56.4 Ų | 56.4 | 0% | 0.004 | 29% | 0.287 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.1 | 129.3 | 167.8 | -66.3 | 86.1 | 0 | 0 | 0 | 109.1 | L48 C50 V74 F75 W97 V107 L109 W123 C124 L137 | L48-W65 HydrophobicContact CB-CE3 4.13Å; L48-W65 HydrophobicContact CB-CH2 3.68Å; L48-W65 HydrophobicContact CB-CZ2 4.5Å; L48-W65 HydrophobicContact CB-CZ3 3.45Å; L48-W65 VanDerWaalsContact CB-CZ3 3.45Å; L48-W65 HydrophobicContact CD1-CE3 4.16Å; L48-W65 HydrophobicContact CD1-CZ3 4.17Å; L48-W65 HydrophobicContact CG-CZ3 4.46Å; L48-W65 WeakPolarHBondContact O-CH2 3.42Å; C50-W65 HydrophobicContact CB-CH2 4.27Å; W65-V74 HydrophobicContact CB-CB 4.33Å; W65-V74 PolarHBondContact O-N 2.94Å; W65-F75 HydrophobicContact CB-CB 4.27Å; W65-F75 PolarHBondContact N-O 2.91Å; W65-F75 PolarHBondContact O-N 2.78Å; W65-W97 AromaticContact NE1-CZ3 3.94Å; W65-V107 HydrophobicContact CZ2-CG2 4.17Å; W65-L109 HydrophobicContact CB-CD2 3.77Å; W65-L109 HydrophobicContact CD2-CB 4.05Å; W65-L109 HydrophobicContact CD2-CD2 4.08Å; W65-L109 HydrophobicContact CG-CB 4.24Å; W65-L109 HydrophobicContact CG-CD2 3.65Å; W65-L109 HydrophobicContact CZ2-CB 4.16Å; W65-W123 VanDerWaalsContact CA-O 3.3Å; W65-W123 WeakPolarHBondContact CA-O 3.45Å; W65-C124 HydrophobicContact CD2-CB 4.19Å; W65-C124 HydrophobicContact CE3-CB 3.94Å; W65-C124 HydrophobicContact CH2-CB 3.78Å; W65-C124 HydrophobicContact CZ2-CB 4.03Å; W65-C124 VanDerWaalsContact CZ2-SG 3.53Å; W65-C124 HydrophobicContact CZ3-CB 3.73Å; W65-L137 HydrophobicContact CE3-CD2 4.42Å; W65-L137 HydrophobicContact CH2-CD2 4.12Å; W65-L137 HydrophobicContact CZ3-CD1 3.92Å; W65-L137 HydrophobicContact CZ3-CD2 3.48Å; W65-L137 VanDerWaalsContact CZ3-CD2 3.48Å; W65-L137 HydrophobicContact CZ3-CG 4.28Å |
| 66 | Y | 89.2 | Confident | 80.1 | Confident | 47 Ų | 47 | 50.2 Ų | 50.2 | 18% | 0.184 | 26% | 0.26 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -143.6 | 152.4 | 174.9 | 58.1 | -88.8 | 0 | 0 | 0 | 112.5 | T72 Y122 W123 H125 E134 | Y66-T72 CarbonylContact C-O 3.57Å; Y66-T72 WeakPolarHBondContact CA-O 3.31Å; Y66-T72 WeakPolarHBondContact CB-O 3.01Å; Y66-Y122 CarbonylContact O-C 3.55Å; Y66-Y122 WeakPolarHBondContact O-CA 3.46Å; Y66-W123 HydrophobicContact CD1-CB 4.14Å; Y66-W123 HydrophobicContact CD2-CB 3.82Å; Y66-W123 AromaticContact CD2-CD1 3.99Å; Y66-W123 HydrophobicContact CD2-CG 4.13Å; Y66-W123 HydrophobicContact CE1-CB 3.72Å; Y66-W123 HydrophobicContact CE2-CB 3.37Å; Y66-W123 AromaticContact CE2-CD1 3.54Å; Y66-W123 HydrophobicContact CE2-CD2 4.34Å; Y66-W123 AromaticContact CE2-CG 3.45Å; Y66-W123 HydrophobicContact CE2-CG 3.45Å; Y66-W123 VanDerWaalsContact CE2-CG 3.45Å; Y66-W123 HydrophobicContact CG-CB 4.18Å; Y66-W123 AromaticContact CZ-CG 3.72Å; Y66-W123 PolarHBondContact N-O 2.74Å; Y66-W123 VanDerWaalsContact N-O 3.13Å; Y66-W123 PolarHBondContact O-N 2.83Å; Y66-H125 HydrophobicContact CE1-CB 3.85Å; Y66-E134 PolarHBondContact OH-OE2 2.86Å |
| 67 | R | 88.9 | Confident | 80.4 | Confident | 38 Ų | 38 | 48.3 Ų | 48.3 | 14% | 0.143 | 25% | 0.253 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -82.3 | 152.3 | 172.5 | -66.8 | -174.7 | 63.1 | 177.3 | 1 | 110.7 | S71 T72 V74 Y91 S117 N119 Y122 | R67-S71 VanDerWaalsContact O-CA 3.23Å; R67-S71 WeakPolarHBondContact O-CA 3.37Å; R67-T72 PolarHBondContact N-O 2.82Å; R67-T72 PolarHBondContact O-N 3.16Å; R67-V74 HydrophobicContact CG-CG2 3.76Å; R67-Y91 VanDerWaalsContact CD-OH 3.3Å; R67-Y91 WeakPolarHBondContact CD-OH 3.35Å; R67-Y91 PolarHBondContact NH1-OH 3.36Å; R67-S117 PolarHBondContact NH1-O 2.97Å; R67-S117 PolarHBondContact NH2-O 2.95Å; R67-N119 PolarHBondContact NH2-O 2.96Å; R67-Y122 HydrophobicContact CG-CD1 3.83Å; R67-Y122 HydrophobicContact CG-CE1 3.49Å; R67-Y122 VanDerWaalsContact CG-CE1 3.49Å; R67-Y122 HydrophobicContact CG-CG 4.48Å |
| 68 | S | 79.5 | Confident | 80.7 | Confident | 36 Ų | 36 | 48.5 Ų | 48.5 | 25% | 0.252 | 25% | 0.247 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -72.5 | -40.4 | 177.3 | -64.6 | 0 | 0 | 0 | 0 | 113.3 | P70 S71 Q121 W123 | S68-P70 CarbonylContact O-C 3.56Å; S68-S71 PolarHBondContact O-N 3.02Å; S68-Q121 PolarHBondContact N-O 2.84Å; S68-W123 PolarHBondContact OG-NE1 2.85Å |
| 69 | E | 72.4 | Confident | 81.1 | Confident | 168 Ų | 168 | 53.6 Ų | 53.6 | 79% | 0.785 | 27% | 0.274 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -139.4 | 107.9 | -168 | -71 | -177.9 | -173.3 | 0 | 0 | 112 | ||
| 70 | P | 63.5 | Low | 81.4 | Confident | 101 Ų | 101 | 50.3 Ų | 50.3 | 66% | 0.656 | 27% | 0.27 | S | S | * | . | T | Hydrogen-bonded Turn | cis | -64.9 | 162.4 | -16.1 | 24.3 | -25.2 | 0 | 0 | 0 | 111.7 | S68 T72 | S68-P70 CarbonylContact O-C 3.56Å; P70-T72 VanDerWaalsContact C-N 3.34Å; P70-T72 VanDerWaalsContact C-OG1 3.31Å; P70-T72 WeakPolarHBondContact CG-OG1 3.24Å; P70-T72 WeakPolarHBondContact O-CB 3.14Å; P70-T72 PolarHBondContact O-N 2.82Å; P70-T72 PolarHBondContact O-OG1 2.95Å |
| 71 | S | 72.8 | Confident | 81.8 | Confident | 92 Ų | 92 | 47.7 Ų | 47.7 | 64% | 0.643 | 26% | 0.264 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -63.2 | 92.7 | 175.3 | -169 | 0 | 0 | 0 | 0 | 110.8 | R67 S68 | R67-S71 VanDerWaalsContact O-CA 3.23Å; R67-S71 WeakPolarHBondContact O-CA 3.37Å; S68-S71 PolarHBondContact O-N 3.02Å |
| 72 | T | 78.9 | Confident | 81.9 | Confident | 12 Ų | 12 | 51.7 Ų | 51.7 | 7% | 0.074 | 28% | 0.282 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.8 | 115.6 | -162.5 | -55.9 | 0 | 0 | 0 | 0 | 109.8 | Y66 R67 P70 V74 M88 | Y66-T72 CarbonylContact C-O 3.57Å; Y66-T72 WeakPolarHBondContact CA-O 3.31Å; Y66-T72 WeakPolarHBondContact CB-O 3.01Å; R67-T72 PolarHBondContact N-O 2.82Å; R67-T72 PolarHBondContact O-N 3.16Å; P70-T72 VanDerWaalsContact C-N 3.34Å; P70-T72 VanDerWaalsContact C-OG1 3.31Å; P70-T72 WeakPolarHBondContact CG-OG1 3.24Å; P70-T72 WeakPolarHBondContact O-CB 3.14Å; P70-T72 PolarHBondContact O-N 2.82Å; P70-T72 PolarHBondContact O-OG1 2.95Å; T72-V74 PolarHBondContact O-N 3.45Å; T72-V74 VanDerWaalsContact O-N 3.16Å; T72-M88 HydrophobicContact CG2-CB 3.97Å; T72-M88 HydrophobicContact CG2-CE 3.38Å; T72-M88 HydrophobicContact CG2-CG 3.43Å; T72-M88 VanDerWaalsContact CG2-CG 3.43Å; T72-M88 HydrophobicContact CG2-SD 4Å |
| 73 | P | 81.8 | Confident | 81.6 | Confident | 50 Ų | 50 | 51.8 Ų | 51.8 | 33% | 0.325 | 28% | 0.284 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -67.8 | 112.7 | 177.1 | 27.7 | -33.2 | 0 | 0 | 0 | 110.5 | M86 M88 | P73-M86 VanDerWaalsContact CB-O 3.23Å; P73-M86 WeakPolarHBondContact CB-O 3.3Å; P73-M86 WeakPolarHBondContact CG-O 3.42Å; P73-M88 PolarHBondContact O-N 2.68Å |
| 74 | V | 83.3 | Confident | 80.9 | Confident | 0 Ų | 0 | 55 Ų | 55 | 0% | 0 | 30% | 0.304 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.9 | -40.4 | 179.5 | 178.9 | 0 | 0 | 0 | 0 | 110.5 | W65 R67 T72 Q87 Y91 V95 L109 Y122 | W65-V74 HydrophobicContact CB-CB 4.33Å; W65-V74 PolarHBondContact O-N 2.94Å; R67-V74 HydrophobicContact CG-CG2 3.76Å; T72-V74 PolarHBondContact O-N 3.45Å; T72-V74 VanDerWaalsContact O-N 3.16Å; V74-Q87 WeakPolarHBondContact O-CG 3.49Å; V74-Q87 PolarHBondContact O-NE2 2.97Å; V74-Y91 HydrophobicContact CG1-CD1 3.93Å; V74-Y91 HydrophobicContact CG1-CD2 4.31Å; V74-Y91 HydrophobicContact CG1-CE1 4.3Å; V74-Y91 HydrophobicContact CG1-CG 3.95Å; V74-Y91 HydrophobicContact CG2-CD2 4.25Å; V74-Y91 HydrophobicContact CG2-CE2 4.08Å; V74-V95 HydrophobicContact CG1-CG1 4.08Å; V74-L109 HydrophobicContact CG1-CD2 3.9Å; V74-Y122 HydrophobicContact CG2-CD1 4.33Å; V74-Y122 HydrophobicContact CG2-CE1 4.07Å |
| 75 | F | 87.3 | Confident | 79.9 | Confident | 0 Ų | 0 | 59.1 Ų | 59.1 | 0% | 0 | 33% | 0.327 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -158.8 | 144.1 | -178.5 | -175.1 | -100.6 | 0 | 0 | 0 | 111.8 | R64 W65 H77 E82 V95 W97 L109 | R64-F75 WeakPolarHBondContact CA-O 3.15Å; W65-F75 HydrophobicContact CB-CB 4.27Å; W65-F75 PolarHBondContact N-O 2.91Å; W65-F75 PolarHBondContact O-N 2.78Å; F75-H77 HydrophobicContact CE1-CB 3.73Å; F75-H77 HydrophobicContact CZ-CB 4.33Å; F75-E82 HydrophobicContact CD2-CG 4.4Å; F75-E82 HydrophobicContact CE2-CB 4.35Å; F75-E82 VanDerWaalsContact CE2-CD 3.47Å; F75-E82 HydrophobicContact CE2-CG 3.57Å; F75-E82 HydrophobicContact CZ-CB 4.36Å; F75-E82 HydrophobicContact CZ-CG 4.03Å; F75-V95 HydrophobicContact CB-CG2 4.45Å; F75-V95 HydrophobicContact CD2-CG2 3.73Å; F75-V95 HydrophobicContact CE2-CG2 4.49Å; F75-V95 HydrophobicContact CG-CG2 4.48Å; F75-W97 AromaticContact CD1-CE3 4Å; F75-W97 HydrophobicContact CD1-CE3 4Å; F75-W97 HydrophobicContact CD1-CZ3 4.4Å; F75-W97 HydrophobicContact CE1-CB 4.01Å; F75-W97 AromaticContact CE1-CD2 3.85Å; F75-W97 HydrophobicContact CE1-CD2 3.85Å; F75-W97 AromaticContact CE1-CE3 3.36Å; F75-W97 HydrophobicContact CE1-CE3 3.36Å; F75-W97 HydrophobicContact CE1-CG 4.15Å; F75-W97 AromaticContact CE1-CZ3 4Å; F75-W97 HydrophobicContact CE1-CZ3 4Å; F75-W97 HydrophobicContact CE2-CB 4.32Å; F75-W97 HydrophobicContact CZ-CB 3.58Å; F75-W97 HydrophobicContact CZ-CD2 4.28Å; F75-W97 HydrophobicContact CZ-CE3 4.16Å; F75-W97 HydrophobicContact CZ-CG 4.08Å; F75-L109 HydrophobicContact CB-CD1 3.67Å; F75-L109 HydrophobicContact CB-CD2 3.79Å; F75-L109 HydrophobicContact CB-CG 4.4Å; F75-L109 HydrophobicContact CD1-CD1 3.73Å; F75-L109 HydrophobicContact CD2-CD1 3.93Å; F75-L109 HydrophobicContact CE1-CD1 4.32Å; F75-L109 HydrophobicContact CG-CD1 3.5Å; F75-L109 VanDerWaalsContact CG-CD1 3.5Å |
| 76 | V | 86.9 | Confident | 78.8 | Confident | 4 Ų | 4 | 63.4 Ų | 63.4 | 2% | 0.024 | 35% | 0.348 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.4 | 126.1 | 176 | -178.1 | 0 | 0 | 0 | 0 | 110 | V63 R64 V83 M86 | V63-V76 WeakPolarHBondContact O-CA 2.94Å; R64-V76 HydrophobicContact CG-CG1 4.21Å; R64-V76 HydrophobicContact CG-CG2 4.23Å; V76-V83 HydrophobicContact CB-CB 4.18Å; V76-V83 HydrophobicContact CG1-CB 4.05Å; V76-V83 HydrophobicContact CG1-CG2 4.26Å; V76-V83 PolarHBondContact O-N 3.24Å; V76-M86 HydrophobicContact CG2-CB 4.15Å |
| 77 | H | 85.3 | Confident | 78.1 | Confident | 16 Ų | 16 | 61.6 Ų | 61.6 | 7% | 0.074 | 34% | 0.341 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.3 | 124.1 | 171.9 | -175.4 | 83.5 | 0 | 0 | 0 | 109.9 | E62 V63 F75 G80 V81 | E62-H77 CarbonylContact C-O 3.53Å; E62-H77 VanDerWaalsContact CA-O 3.3Å; E62-H77 WeakPolarHBondContact CA-O 3.49Å; V63-H77 PolarHBondContact N-O 3.41Å; V63-H77 PolarHBondContact O-N 3.32Å; F75-H77 HydrophobicContact CE1-CB 3.73Å; F75-H77 HydrophobicContact CZ-CB 4.33Å; H77-G80 WeakPolarHBondContact NE2-CA 3.3Å; H77-V81 PolarHBondContact ND1-O 2.99Å |
| 78 | R | 83.8 | Confident | 77.1 | Confident | 71 Ų | 71 | 63.1 Ų | 63.1 | 27% | 0.268 | 35% | 0.351 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.7 | 131.4 | -179.3 | -175 | -173.9 | -67.3 | 142.5 | 9.4 | 109 | E62 G80 V81 V83 | E62-R78 HydrophobicContact CB-CB 4.43Å; E62-R78 HydrophobicContact CB-CG 4.28Å; E62-R78 VanDerWaalsContact CD-NH2 3.3Å; E62-R78 HydrophobicContact CG-CB 4.24Å; E62-R78 HydrophobicContact CG-CG 4.42Å; E62-R78 IonicContact OE1-CZ 3.16Å; E62-R78 IonicContact OE1-NE 3.3Å; E62-R78 IonicContact OE1-NH2 4Å; E62-R78 PolarHBondContact OE1-NH2 2.96Å; E62-R78 IonicContact OE2-CZ 2.75Å; E62-R78 IonicContact OE2-NE 2.82Å; E62-R78 PolarHBondContact OE2-NE 2.86Å; E62-R78 IonicContact OE2-NH2 3.9Å; E62-R78 PolarHBondContact OE2-NH2 2Å; R78-G80 VanDerWaalsContact C-N 3.26Å; R78-G80 PolarHBondContact O-N 3.45Å; R78-V81 PolarHBondContact N-O 3.16Å; R78-V81 WeakPolarHBondContact O-CG2 3.28Å; R78-V81 PolarHBondContact O-N 2.81Å; R78-V81 VanDerWaalsContact O-O 3.06Å; R78-V83 HydrophobicContact CB-CG2 3.81Å |
| 79 | D | 75.3 | Confident | 76.6 | Confident | 111 Ų | 111 | 68.9 Ų | 68.9 | 59% | 0.594 | 37% | 0.374 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 53.5 | 37.2 | 174.6 | -59.6 | -43 | 0 | 0 | 0 | 115 | V81 | D79-V81 VanDerWaalsContact C-N 3.3Å; D79-V81 PolarHBondContact O-N 2.84Å |
| 80 | G | 71.3 | Confident | 76.5 | Confident | 47 Ų | 47 | 67.5 Ų | 67.5 | 49% | 0.485 | 37% | 0.367 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 80.9 | 5.3 | 178.5 | 0 | 0 | 0 | 0 | 0 | 114.7 | H77 R78 | H77-G80 WeakPolarHBondContact NE2-CA 3.3Å; R78-G80 VanDerWaalsContact C-N 3.26Å; R78-G80 PolarHBondContact O-N 3.45Å |
| 81 | V | 78.8 | Confident | 76.7 | Confident | 92 Ų | 92 | 63.2 Ų | 63.2 | 56% | 0.558 | 34% | 0.338 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -127.7 | 148.8 | 178.1 | -64.5 | 0 | 0 | 0 | 0 | 112.2 | H77 R78 D79 | H77-V81 PolarHBondContact ND1-O 2.99Å; R78-V81 PolarHBondContact N-O 3.16Å; R78-V81 WeakPolarHBondContact O-CG2 3.28Å; R78-V81 PolarHBondContact O-N 2.81Å; R78-V81 VanDerWaalsContact O-O 3.06Å; D79-V81 VanDerWaalsContact C-N 3.3Å; D79-V81 PolarHBondContact O-N 2.84Å |
| 82 | E | 82.1 | Confident | 76.6 | Confident | 90 Ų | 90 | 64.1 Ų | 64.1 | 42% | 0.421 | 33% | 0.327 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -73.6 | 133.8 | 170.8 | 179.6 | 177.6 | 170.2 | 0 | 0 | 110.6 | F75 T84 | F75-E82 HydrophobicContact CD2-CG 4.4Å; F75-E82 HydrophobicContact CE2-CB 4.35Å; F75-E82 VanDerWaalsContact CE2-CD 3.47Å; F75-E82 HydrophobicContact CE2-CG 3.57Å; F75-E82 HydrophobicContact CZ-CB 4.36Å; F75-E82 HydrophobicContact CZ-CG 4.03Å; E82-T84 HydrophobicContact CG-CG2 4.07Å |
| 83 | V | 81.6 | Confident | 76.4 | Confident | 25 Ų | 25 | 67.1 Ų | 67.1 | 15% | 0.152 | 36% | 0.361 | C | S | . | . | trans | -104.9 | 87.8 | 179.4 | -174.7 | 0 | 0 | 0 | 0 | 109.7 | V76 R78 E85 M86 | V76-V83 HydrophobicContact CB-CB 4.18Å; V76-V83 HydrophobicContact CG1-CB 4.05Å; V76-V83 HydrophobicContact CG1-CG2 4.26Å; V76-V83 PolarHBondContact O-N 3.24Å; R78-V83 HydrophobicContact CB-CG2 3.81Å; V83-E85 VanDerWaalsContact C-N 3.33Å; V83-E85 PolarHBondContact O-N 2.78Å; V83-M86 HydrophobicContact CG1-CG 4.19Å; V83-M86 HydrophobicContact CG1-SD 4.35Å | ||
| 84 | T | 74.1 | Confident | 76.5 | Confident | 69 Ų | 69 | 69.6 Ų | 69.6 | 42% | 0.423 | 36% | 0.364 | S | S | . | . | G | 310 helix | trans | -71.7 | -23.2 | -174.8 | 59.8 | 0 | 0 | 0 | 0 | 114 | E82 M86 Q87 R92 | E82-T84 HydrophobicContact CG-CG2 4.07Å; T84-M86 PolarHBondContact O-N 3.43Å; T84-Q87 WeakPolarHBondContact O-CB 3.38Å; T84-Q87 PolarHBondContact O-N 2.78Å; T84-Q87 VanDerWaalsContact O-N 3.16Å; T84-R92 PolarHBondContact O-NH2 2.99Å |
| 85 | E | 70.8 | Confident | 76.6 | Confident | 172 Ų | 172 | 70.3 Ų | 70.3 | 80% | 0.804 | 37% | 0.368 | S | S | * | . | G | 310 helix | trans | -61.7 | -29.6 | 179.5 | -67.3 | -177.1 | 175.6 | 0 | 0 | 113.2 | V83 | V83-E85 VanDerWaalsContact C-N 3.33Å; V83-E85 PolarHBondContact O-N 2.78Å |
| 86 | M | 66.8 | Low | 76.7 | Confident | 91 Ų | 91 | 74.5 Ų | 74.5 | 45% | 0.448 | 39% | 0.388 | S | S | . | . | G | 310 helix | trans | -94.6 | -3.5 | -179.1 | -64.7 | -176.5 | 176.5 | 0 | 0 | 112.9 | P73 V76 V83 T84 | P73-M86 VanDerWaalsContact CB-O 3.23Å; P73-M86 WeakPolarHBondContact CB-O 3.3Å; P73-M86 WeakPolarHBondContact CG-O 3.42Å; V76-M86 HydrophobicContact CG2-CB 4.15Å; V83-M86 HydrophobicContact CG1-CG 4.19Å; V83-M86 HydrophobicContact CG1-SD 4.35Å; T84-M86 PolarHBondContact O-N 3.43Å |
| 87 | Q | 74 | Confident | 76.7 | Confident | 9 Ų | 9 | 75.8 Ų | 75.8 | 4% | 0.042 | 39% | 0.392 | C | S | . | . | S | Bend | trans | -88.5 | 134.5 | -178.2 | -174.6 | 178.5 | 34.9 | 0 | 0 | 111.2 | V74 T84 Y91 R92 | V74-Q87 WeakPolarHBondContact O-CG 3.49Å; V74-Q87 PolarHBondContact O-NE2 2.97Å; T84-Q87 WeakPolarHBondContact O-CB 3.38Å; T84-Q87 PolarHBondContact O-N 2.78Å; T84-Q87 VanDerWaalsContact O-N 3.16Å; Q87-Y91 PolarHBondContact NE2-O 3.24Å; Q87-R92 HydrophobicContact CG-CG 4.17Å; Q87-R92 PolarHBondContact O-NE 2.75Å |
| 88 | M | 69.3 | Low | 76.8 | Confident | 70 Ų | 70 | 76.7 Ų | 76.7 | 35% | 0.345 | 40% | 0.397 | S | S | . | . | trans | -63.5 | 142.1 | 172.3 | -90.1 | -106.7 | -65.8 | 0 | 0 | 112.6 | T72 P73 E90 Y91 R92 | T72-M88 HydrophobicContact CG2-CB 3.97Å; T72-M88 HydrophobicContact CG2-CE 3.38Å; T72-M88 HydrophobicContact CG2-CG 3.43Å; T72-M88 VanDerWaalsContact CG2-CG 3.43Å; T72-M88 HydrophobicContact CG2-SD 4Å; P73-M88 PolarHBondContact O-N 2.68Å; M88-E90 VanDerWaalsContact C-N 3.26Å; M88-E90 PolarHBondContact O-N 2.85Å; M88-Y91 HydrophobicContact CB-CD2 4.46Å; M88-Y91 PolarHBondContact O-N 2.88Å; M88-Y91 VanDerWaalsContact O-N 3.08Å; M88-R92 PolarHBondContact O-N 3.09Å | ||
| 89 | E | 68.1 | Low | 76.2 | Confident | 157 Ų | 157 | 79.8 Ų | 79.8 | 73% | 0.734 | 42% | 0.415 | S | S | * | . | G | 310 helix | trans | -60.8 | -35.1 | -171.6 | -163.2 | 138 | -150.5 | 0 | 0 | 112.6 | Y91 R92 | E89-Y91 PolarHBondContact O-N 3.37Å; E89-R92 PolarHBondContact O-N 2.88Å |
| 90 | E | 70.8 | Confident | 75.9 | Confident | 139 Ų | 139 | 81 Ų | 81 | 65% | 0.65 | 42% | 0.421 | S | S | * | . | G | 310 helix | trans | -60.8 | -27.5 | 177 | -65.2 | 167.6 | -156 | 0 | 0 | 113.9 | M88 | M88-E90 VanDerWaalsContact C-N 3.26Å; M88-E90 PolarHBondContact O-N 2.85Å |
| 91 | Y | 68.2 | Low | 76 | Confident | 11 Ų | 11 | 80 Ų | 80 | 4% | 0.043 | 41% | 0.411 | C | S | . | . | G | 310 helix | trans | -99.5 | -5.1 | -179.4 | -71.9 | -71.2 | 0 | 0 | 0 | 113.4 | R67 V74 Q87 M88 E89 G93 W94 V95 D118 | R67-Y91 VanDerWaalsContact CD-OH 3.3Å; R67-Y91 WeakPolarHBondContact CD-OH 3.35Å; R67-Y91 PolarHBondContact NH1-OH 3.36Å; V74-Y91 HydrophobicContact CG1-CD1 3.93Å; V74-Y91 HydrophobicContact CG1-CD2 4.31Å; V74-Y91 HydrophobicContact CG1-CE1 4.3Å; V74-Y91 HydrophobicContact CG1-CG 3.95Å; V74-Y91 HydrophobicContact CG2-CD2 4.25Å; V74-Y91 HydrophobicContact CG2-CE2 4.08Å; Q87-Y91 PolarHBondContact NE2-O 3.24Å; M88-Y91 HydrophobicContact CB-CD2 4.46Å; M88-Y91 PolarHBondContact O-N 2.88Å; M88-Y91 VanDerWaalsContact O-N 3.08Å; E89-Y91 PolarHBondContact O-N 3.37Å; Y91-G93 PolarHBondContact O-N 3.36Å; Y91-W94 PolarHBondContact O-N 3.03Å; Y91-W94 VanDerWaalsContact O-N 3.11Å; Y91-V95 HydrophobicContact CD1-CG1 4.14Å; Y91-D118 WeakPolarHBondContact CE1-OD1 3.32Å; Y91-D118 PolarHBondContact OH-OD1 2.8Å |
| 92 | R | 71.3 | Confident | 75.9 | Confident | 110 Ų | 110 | 76.8 Ų | 76.8 | 42% | 0.415 | 39% | 0.39 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -67.4 | 117.4 | -178.5 | -74.6 | -175.5 | 177.3 | -162.9 | -1.5 | 110.8 | T84 Q87 M88 E89 W94 | T84-R92 PolarHBondContact O-NH2 2.99Å; Q87-R92 HydrophobicContact CG-CG 4.17Å; Q87-R92 PolarHBondContact O-NE 2.75Å; M88-R92 PolarHBondContact O-N 3.09Å; E89-R92 PolarHBondContact O-N 2.88Å; R92-W94 VanDerWaalsContact C-N 3.25Å; R92-W94 PolarHBondContact O-N 3.11Å |
| 93 | G | 72.8 | Confident | 75.7 | Confident | 75 Ų | 75 | 76 Ų | 76 | 77% | 0.773 | 40% | 0.399 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 79.7 | 2.3 | -177.2 | 0 | 0 | 0 | 0 | 0 | 114.7 | Y91 | Y91-G93 PolarHBondContact O-N 3.36Š|
| 94 | W | 83.8 | Confident | 75.7 | Confident | 103 Ų | 103 | 81.1 Ų | 81.1 | 39% | 0.39 | 42% | 0.42 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -101 | -8.3 | 175.7 | -70 | 57.3 | 0 | 0 | 0 | 112.3 | Y91 R92 H112 N113 Q115 | Y91-W94 PolarHBondContact O-N 3.03Å; Y91-W94 VanDerWaalsContact O-N 3.11Å; R92-W94 VanDerWaalsContact C-N 3.25Å; R92-W94 PolarHBondContact O-N 3.11Å; W94-H112 WeakPolarHBondContact O-CB 3.17Å; W94-H112 PolarHBondContact O-CD2 3.37Å; W94-H112 PolarHBondContact O-N 2.69Å; W94-N113 HydrophobicContact CE3-CB 4.44Å; W94-N113 HydrophobicContact CZ3-CB 4.22Å; W94-N113 WeakPolarHBondContact CZ3-ND2 3.41Å; W94-Q115 HydrophobicContact CZ3-CG 4.16Å |
| 95 | V | 87.1 | Confident | 76.1 | Confident | 15 Ų | 15 | 77.9 Ų | 77.9 | 9% | 0.091 | 40% | 0.399 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.4 | 143.3 | -179.1 | -56.6 | 0 | 0 | 0 | 0 | 111.2 | V74 F75 Y91 L109 K110 I111 | V74-V95 HydrophobicContact CG1-CG1 4.08Å; F75-V95 HydrophobicContact CB-CG2 4.45Å; F75-V95 HydrophobicContact CD2-CG2 3.73Å; F75-V95 HydrophobicContact CE2-CG2 4.49Å; F75-V95 HydrophobicContact CG-CG2 4.48Å; Y91-V95 HydrophobicContact CD1-CG1 4.14Å; V95-L109 HydrophobicContact CB-CD1 4Å; V95-L109 HydrophobicContact CB-CG 4.42Å; V95-L109 HydrophobicContact CG2-CD1 4.33Å; V95-K110 CarbonylContact C-O 3.5Å; V95-K110 WeakPolarHBondContact CA-O 3.46Å; V95-I111 HydrophobicContact CG1-CG1 4.09Å; V95-I111 HydrophobicContact CG1-CG2 4.38Å |
| 96 | E | 88.9 | Confident | 77 | Confident | 87 Ų | 87 | 72.2 Ų | 72.2 | 41% | 0.407 | 38% | 0.375 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.3 | 127 | 179 | 178.5 | -170.2 | -178.4 | 0 | 0 | 109 | I98 K110 H112 | E96-I98 HydrophobicContact CG-CD1 3.9Å; E96-K110 HydrophobicContact CB-CB 4.19Å; E96-K110 PolarHBondContact N-O 2.84Å; E96-K110 PolarHBondContact O-N 2.93Å; E96-K110 WeakPolarHBondContact OE2-CD 3.47Å; E96-K110 IonicContact OE2-NZ 3.46Å; E96-H112 IonicContact OE2-CE1 3.58Å; E96-H112 IonicContact OE2-NE2 3.54Å |
| 97 | W | 87.3 | Confident | 78.1 | Confident | 31 Ų | 31 | 68 Ų | 68 | 12% | 0.117 | 35% | 0.354 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -81.8 | 124.1 | 173.5 | 176.4 | -106.1 | 0 | 0 | 0 | 110.9 | V63 W65 F75 I102 V107 | V63-W97 HydrophobicContact CB-CH2 4.06Å; V63-W97 HydrophobicContact CB-CZ3 4.47Å; V63-W97 HydrophobicContact CG1-CH2 4.05Å; V63-W97 HydrophobicContact CG1-CZ3 4.17Å; V63-W97 HydrophobicContact CG2-CH2 4.2Å; W65-W97 AromaticContact NE1-CZ3 3.94Å; F75-W97 AromaticContact CD1-CE3 4Å; F75-W97 HydrophobicContact CD1-CE3 4Å; F75-W97 HydrophobicContact CD1-CZ3 4.4Å; F75-W97 HydrophobicContact CE1-CB 4.01Å; F75-W97 AromaticContact CE1-CD2 3.85Å; F75-W97 HydrophobicContact CE1-CD2 3.85Å; F75-W97 AromaticContact CE1-CE3 3.36Å; F75-W97 HydrophobicContact CE1-CE3 3.36Å; F75-W97 HydrophobicContact CE1-CG 4.15Å; F75-W97 AromaticContact CE1-CZ3 4Å; F75-W97 HydrophobicContact CE1-CZ3 4Å; F75-W97 HydrophobicContact CE2-CB 4.32Å; F75-W97 HydrophobicContact CZ-CB 3.58Å; F75-W97 HydrophobicContact CZ-CD2 4.28Å; F75-W97 HydrophobicContact CZ-CE3 4.16Å; F75-W97 HydrophobicContact CZ-CG 4.08Å; W97-I102 HydrophobicContact CZ2-CD1 4.41Å; W97-V107 HydrophobicContact CH2-CB 3.45Å; W97-V107 VanDerWaalsContact CH2-CB 3.45Å; W97-V107 HydrophobicContact CH2-CG1 3.51Å; W97-V107 HydrophobicContact CH2-CG2 4.38Å; W97-V107 HydrophobicContact CZ2-CB 4.17Å; W97-V107 HydrophobicContact CZ2-CG1 3.95Å; W97-V107 HydrophobicContact CZ3-CB 3.97Å; W97-V107 HydrophobicContact CZ3-CG1 4.49Å |
| 98 | I | 86.8 | Confident | 79 | Confident | 35 Ų | 35 | 68.2 Ų | 68.2 | 18% | 0.179 | 36% | 0.357 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.3 | 110.2 | -178.4 | -52.7 | -60 | 0 | 0 | 0 | 109.8 | L47 E96 N100 A108 K110 | L47-I98 HydrophobicContact CD1-CG1 3.95Å; E96-I98 HydrophobicContact CG-CD1 3.9Å; I98-N100 HydrophobicContact CG2-CB 4.03Å; I98-N100 PolarHBondContact O-N 3.01Å; I98-N100 VanDerWaalsContact O-N 3.09Å; I98-A108 HydrophobicContact CB-CB 4.09Å; I98-A108 PolarHBondContact N-O 2.8Å; I98-K110 HydrophobicContact CD1-CB 4.19Å; I98-K110 HydrophobicContact CD1-CD 4.43Å; I98-K110 HydrophobicContact CG1-CB 4.11Å |
| 99 | E | 70.7 | Confident | 80 | Confident | 136 Ų | 136 | 64.9 Ų | 64.9 | 64% | 0.636 | 34% | 0.341 | S | S | * | . | trans | -75.7 | 6.3 | -175.2 | -63.5 | -172.8 | 163.7 | 0 | 0 | 115 | G101 I102 | E99-G101 PolarHBondContact O-N 2.85Å; E99-G101 VanDerWaalsContact O-N 3.09Å; E99-I102 HydrophobicContact CB-CD1 3.89Å; E99-I102 HydrophobicContact CG-CD1 4.06Å | ||
| 100 | N | 69.2 | Low | 81.2 | Confident | 138 Ų | 138 | 59.8 Ų | 59.8 | 74% | 0.738 | 32% | 0.316 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -76.7 | 101.6 | -175.7 | -74.1 | -29.2 | 0 | 0 | 0 | 112.1 | I98 | I98-N100 HydrophobicContact CG2-CB 4.03Å; I98-N100 PolarHBondContact O-N 3.01Å; I98-N100 VanDerWaalsContact O-N 3.09Å |
| 101 | G | 74.3 | Confident | 82.3 | Confident | 26 Ų | 26 | 53.1 Ų | 53.1 | 27% | 0.268 | 29% | 0.285 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 104.4 | 13.9 | 170.1 | 0 | 0 | 0 | 0 | 0 | 115.7 | E99 A103 K104 G105 N106 | E99-G101 PolarHBondContact O-N 2.85Å; E99-G101 VanDerWaalsContact O-N 3.09Å; G101-A103 PolarHBondContact O-N 3.11Å; G101-K104 CarbonylContact O-C 3.56Å; G101-K104 WeakPolarHBondContact O-CA 3.36Å; G101-K104 PolarHBondContact O-N 3.11Å; G101-G105 PolarHBondContact O-N 3.36Å; G101-N106 CarbonylContact C-O 3.56Å; G101-N106 PolarHBondContact O-N 3.31Å |
| 102 | I | 77.2 | Confident | 83.4 | Confident | 23 Ų | 23 | 55 Ų | 55 | 12% | 0.118 | 29% | 0.294 | C | S | . | . | G | 310 helix | trans | -50.1 | -40.6 | 172.2 | -68.5 | 175.8 | 0 | 0 | 0 | 111.7 | T57 T58 M59 W97 E99 K104 G105 N106 | T57-I102 WeakPolarHBondContact CA-O 3.16Å; T58-I102 PolarHBondContact N-O 3.28Å; T58-I102 VanDerWaalsContact N-O 3.14Å; T58-I102 WeakPolarHBondContact OG1-CG2 3.28Å; T58-I102 PolarHBondContact OG1-O 3.19Å; M59-I102 HydrophobicContact CG-CG2 4.04Å; W97-I102 HydrophobicContact CZ2-CD1 4.41Å; E99-I102 HydrophobicContact CB-CD1 3.89Å; E99-I102 HydrophobicContact CG-CD1 4.06Å; I102-K104 PolarHBondContact O-N 2.8Å; I102-K104 VanDerWaalsContact O-N 3.09Å; I102-G105 PolarHBondContact O-N 3.19Å; I102-N106 PolarHBondContact N-O 2.8Å |
| 103 | A | 76.8 | Confident | 84.4 | Confident | 74 Ų | 74 | 53.2 Ų | 53.2 | 61% | 0.612 | 29% | 0.293 | S | S | * | . | G | 310 helix | trans | -62 | -18.3 | 177.7 | 0 | 0 | 0 | 0 | 0 | 114.1 | G101 | G101-A103 PolarHBondContact O-N 3.11Š|
| 104 | K | 81.9 | Confident | 85.3 | Confident | 133 Ų | 133 | 49.7 Ų | 49.7 | 58% | 0.578 | 26% | 0.256 | S | S | * | . | G | 310 helix | trans | -112.2 | 7.2 | 178.2 | -65 | 179.6 | -179.7 | 173.6 | 0 | 112.7 | K55 R56 G101 I102 | K55-K104 WeakPolarHBondContact CB-O 3.37Å; R56-K104 CarbonylContact O-C 3.55Å; G101-K104 CarbonylContact O-C 3.56Å; G101-K104 WeakPolarHBondContact O-CA 3.36Å; G101-K104 PolarHBondContact O-N 3.11Å; I102-K104 PolarHBondContact O-N 2.8Å; I102-K104 VanDerWaalsContact O-N 3.09Å |
| 105 | G | 82.8 | Confident | 85.7 | Confident | 0 Ų | 0 | 47 Ų | 47 | 0% | 0 | 25% | 0.248 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 77.6 | 20.1 | 179.3 | 0 | 0 | 0 | 0 | 0 | 114 | Q51 L52 R56 G101 I102 | Q51-G105 WeakPolarHBondContact CA-O 3.48Å; L52-G105 PolarHBondContact N-O 2.89Å; R56-G105 WeakPolarHBondContact O-CA 3.46Å; R56-G105 PolarHBondContact O-N 2.72Å; G101-G105 PolarHBondContact O-N 3.36Å; I102-G105 PolarHBondContact O-N 3.19Å |
| 106 | N | 88.8 | Confident | 86 | Confident | 54 Ų | 54 | 46.7 Ų | 46.7 | 29% | 0.289 | 25% | 0.246 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -91.2 | 131.8 | 172.5 | -64.6 | -11.2 | 0 | 0 | 0 | 109.2 | Q51 G101 I102 | Q51-N106 VanDerWaalsContact CD-OD1 3.25Å; Q51-N106 WeakPolarHBondContact CG-OD1 2.99Å; Q51-N106 PolarHBondContact NE2-OD1 3.01Å; G101-N106 CarbonylContact C-O 3.56Å; G101-N106 PolarHBondContact O-N 3.31Å; I102-N106 PolarHBondContact N-O 2.8Å |
| 107 | V | 90 | Very high | 86 | Confident | 3 Ų | 3 | 46.3 Ų | 46.3 | 2% | 0.018 | 25% | 0.253 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.8 | 143.4 | 174.4 | -57.9 | 0 | 0 | 0 | 0 | 109.1 | T49 C50 V63 W65 W97 F126 | T49-V107 WeakPolarHBondContact CA-O 3.33Å; C50-V107 HydrophobicContact CB-CG2 4.29Å; C50-V107 PolarHBondContact N-O 2.79Å; C50-V107 PolarHBondContact O-N 3.36Å; V63-V107 HydrophobicContact CG1-CG2 4.13Å; V63-V107 HydrophobicContact CG2-CG1 4.26Å; W65-V107 HydrophobicContact CZ2-CG2 4.17Å; W97-V107 HydrophobicContact CH2-CB 3.45Å; W97-V107 VanDerWaalsContact CH2-CB 3.45Å; W97-V107 HydrophobicContact CH2-CG1 3.51Å; W97-V107 HydrophobicContact CH2-CG2 4.38Å; W97-V107 HydrophobicContact CZ2-CB 4.17Å; W97-V107 HydrophobicContact CZ2-CG1 3.95Å; W97-V107 HydrophobicContact CZ3-CB 3.97Å; W97-V107 HydrophobicContact CZ3-CG1 4.49Å; V107-F126 HydrophobicContact CB-CZ 4.19Å; V107-F126 HydrophobicContact CG1-CE1 3.93Å; V107-F126 HydrophobicContact CG1-CZ 3.76Å; V107-F126 HydrophobicContact CG2-CE1 4.31Å; V107-F126 HydrophobicContact CG2-CE2 3.85Å; V107-F126 HydrophobicContact CG2-CZ 3.35Å |
| 108 | A | 92.2 | Very high | 86.2 | Confident | 12 Ų | 12 | 45.1 Ų | 45.1 | 10% | 0.099 | 25% | 0.249 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -140 | 134.9 | 175.7 | 0 | 0 | 0 | 0 | 0 | 110.6 | L47 L48 T49 I98 | L47-A108 HydrophobicContact CD1-CB 3.87Å; L47-A108 HydrophobicContact CG-CB 4.24Å; L48-A108 CarbonylContact O-C 3.56Å; L48-A108 WeakPolarHBondContact O-CA 3.23Å; T49-A108 HydrophobicContact CG2-CB 3.86Å; I98-A108 HydrophobicContact CB-CB 4.09Å; I98-A108 PolarHBondContact N-O 2.8Å |
| 109 | L | 91.9 | Very high | 86.5 | Confident | 0 Ų | 0 | 46.6 Ų | 46.6 | 0% | 0 | 26% | 0.258 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.6 | 120.1 | 172.5 | -174.3 | 71.2 | 0 | 0 | 0 | 107.8 | L48 W65 V74 F75 V95 I111 | L48-L109 HydrophobicContact CB-CB 4.5Å; L48-L109 PolarHBondContact N-O 2.99Å; L48-L109 PolarHBondContact O-N 3.43Å; W65-L109 HydrophobicContact CB-CD2 3.77Å; W65-L109 HydrophobicContact CD2-CB 4.05Å; W65-L109 HydrophobicContact CD2-CD2 4.08Å; W65-L109 HydrophobicContact CG-CB 4.24Å; W65-L109 HydrophobicContact CG-CD2 3.65Å; W65-L109 HydrophobicContact CZ2-CB 4.16Å; V74-L109 HydrophobicContact CG1-CD2 3.9Å; F75-L109 HydrophobicContact CB-CD1 3.67Å; F75-L109 HydrophobicContact CB-CD2 3.79Å; F75-L109 HydrophobicContact CB-CG 4.4Å; F75-L109 HydrophobicContact CD1-CD1 3.73Å; F75-L109 HydrophobicContact CD2-CD1 3.93Å; F75-L109 HydrophobicContact CE1-CD1 4.32Å; F75-L109 HydrophobicContact CG-CD1 3.5Å; F75-L109 VanDerWaalsContact CG-CD1 3.5Å; V95-L109 HydrophobicContact CB-CD1 4Å; V95-L109 HydrophobicContact CB-CG 4.42Å; V95-L109 HydrophobicContact CG2-CD1 4.33Å; L109-I111 HydrophobicContact CD2-CG1 4.46Å |
| 110 | K | 93.4 | Very high | 87.5 | Confident | 50 Ų | 50 | 40.9 Ų | 40.9 | 22% | 0.217 | 24% | 0.235 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -92.3 | 130.4 | 171.8 | -173.2 | -178.8 | 179.3 | -168.1 | 0 | 108.5 | D45 A46 L47 V95 E96 I98 H112 | D45-K110 HydrophobicContact CB-CG 4.36Å; D45-K110 WeakPolarHBondContact OD2-CE 3.21Å; D45-K110 IonicContact OD2-NZ 3.77Å; D45-K110 PolarHBondContact OD2-NZ 3.35Å; A46-K110 CarbonylContact O-C 3.52Å; A46-K110 VanDerWaalsContact O-CA 3.3Å; A46-K110 WeakPolarHBondContact O-CA 3.41Å; L47-K110 HydrophobicContact CD1-CB 3.93Å; L47-K110 HydrophobicContact CD1-CG 4.47Å; V95-K110 CarbonylContact C-O 3.5Å; V95-K110 WeakPolarHBondContact CA-O 3.46Å; E96-K110 HydrophobicContact CB-CB 4.19Å; E96-K110 PolarHBondContact N-O 2.84Å; E96-K110 PolarHBondContact O-N 2.93Å; E96-K110 WeakPolarHBondContact OE2-CD 3.47Å; E96-K110 IonicContact OE2-NZ 3.46Å; I98-K110 HydrophobicContact CD1-CB 4.19Å; I98-K110 HydrophobicContact CD1-CD 4.43Å; I98-K110 HydrophobicContact CG1-CB 4.11Å; K110-H112 VanDerWaalsContact CE-CE1 3.48Å; K110-H112 WeakPolarHBondContact CE-CE1 3.47Å; K110-H112 PolarHBondContact NZ-CE1 3.48Å |
| 111 | I | 92.4 | Very high | 88.7 | Confident | 0 Ų | 0 | 38.2 Ų | 38.2 | 0% | 0 | 22% | 0.218 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.3 | 124 | 173.3 | -53.3 | -179.8 | 0 | 0 | 0 | 106.7 | D45 A46 L48 V95 L109 I114 Y122 | D45-I111 CarbonylContact C-O 3.5Å; D45-I111 VanDerWaalsContact CA-O 3.26Å; D45-I111 WeakPolarHBondContact CA-O 3.31Å; A46-I111 PolarHBondContact N-O 2.92Å; A46-I111 PolarHBondContact O-N 3.22Å; L48-I111 HydrophobicContact CD1-CD1 3.62Å; L48-I111 HydrophobicContact CD1-CG1 4.37Å; L48-I111 HydrophobicContact CG-CD1 4.23Å; V95-I111 HydrophobicContact CG1-CG1 4.09Å; V95-I111 HydrophobicContact CG1-CG2 4.38Å; L109-I111 HydrophobicContact CD2-CG1 4.46Å; I111-I114 HydrophobicContact CB-CD1 3.88Å; I111-I114 HydrophobicContact CG2-CD1 3.68Å; I111-Y122 HydrophobicContact CD1-CE1 3.93Å |
| 112 | H | 92.5 | Very high | 89.6 | Confident | 51 Ų | 51 | 37 Ų | 37 | 24% | 0.236 | 21% | 0.205 | C | C | . | . | trans | -88.2 | 151 | -179.2 | -65.8 | -71.7 | 0 | 0 | 0 | 112.1 | D45 W94 E96 K110 I114 | D45-H112 VanDerWaalsContact CG-ND1 3.33Å; D45-H112 VanDerWaalsContact OD1-CA 3.25Å; D45-H112 WeakPolarHBondContact OD1-CA 3.41Å; D45-H112 IonicContact OD1-CG 3.07Å; D45-H112 IonicContact OD1-ND1 3.32Å; D45-H112 PolarHBondContact OD1-ND1 3.22Å; D45-H112 IonicContact OD2-CE1 3.15Å; D45-H112 IonicContact OD2-ND1 2.68Å; D45-H112 PolarHBondContact OD2-ND1 2.81Å; W94-H112 WeakPolarHBondContact O-CB 3.17Å; W94-H112 PolarHBondContact O-CD2 3.37Å; W94-H112 PolarHBondContact O-N 2.69Å; E96-H112 IonicContact OE2-CE1 3.58Å; E96-H112 IonicContact OE2-NE2 3.54Å; K110-H112 VanDerWaalsContact CE-CE1 3.48Å; K110-H112 WeakPolarHBondContact CE-CE1 3.47Å; K110-H112 PolarHBondContact NZ-CE1 3.48Å; H112-I114 PolarHBondContact O-N 2.96Å | ||
| 113 | N | 91 | Very high | 90.3 | Very high | 72 Ų | 72 | 38.7 Ų | 38.7 | 39% | 0.385 | 21% | 0.21 | S | C | . | . | S | Bend | trans | 50.9 | 56.4 | 169.8 | -174.2 | 47.1 | 0 | 0 | 0 | 113 | G43 E44 D45 W94 Q115 | G43-N113 WeakPolarHBondContact CA-OD1 3.31Å; E44-N113 WeakPolarHBondContact O-CA 3.45Å; E44-N113 PolarHBondContact O-N 3.46Å; E44-N113 VanDerWaalsContact O-N 3.17Å; D45-N113 PolarHBondContact OD1-N 3.23Å; W94-N113 HydrophobicContact CE3-CB 4.44Å; W94-N113 HydrophobicContact CZ3-CB 4.22Å; W94-N113 WeakPolarHBondContact CZ3-ND2 3.41Å; N113-Q115 PolarHBondContact ND2-NE2 2.93Å; N113-Q115 PolarHBondContact O-N 2.96Å; N113-Q115 PolarHBondContact O-NE2 2.88Å |
| 114 | I | 93.1 | Very high | 91.1 | Very high | 0 Ų | 0 | 35.2 Ų | 35.2 | 0% | 0 | 18% | 0.181 | C | C | . | . | trans | -51.7 | 130.7 | -175.5 | -71.6 | -63.2 | 0 | 0 | 0 | 111.9 | A40 V42 G43 E44 A46 I111 H112 D118 L139 V141 | A40-I114 HydrophobicContact CB-CG1 4.16Å; A40-I114 HydrophobicContact CB-CG2 4.36Å; V42-I114 CarbonylContact C-O 3.55Å; V42-I114 WeakPolarHBondContact CA-O 3.24Å; G43-I114 PolarHBondContact N-O 2.75Å; E44-I114 WeakPolarHBondContact O-CB 3.42Å; E44-I114 WeakPolarHBondContact O-CG1 3.47Å; E44-I114 PolarHBondContact O-N 3.33Å; A46-I114 HydrophobicContact CB-CD1 3.65Å; A46-I114 HydrophobicContact CB-CG1 3.8Å; I111-I114 HydrophobicContact CB-CD1 3.88Å; I111-I114 HydrophobicContact CG2-CD1 3.68Å; H112-I114 PolarHBondContact O-N 2.96Å; I114-D118 HydrophobicContact CD1-CB 4.33Å; I114-D118 HydrophobicContact CG2-CB 4.46Å; I114-L139 HydrophobicContact CD1-CD2 4.09Å; I114-V141 HydrophobicContact CG2-CB 4.19Å; I114-V141 HydrophobicContact CG2-CG1 3.6Å; I114-V141 HydrophobicContact CG2-CG2 3.51Å | ||
| 115 | Q | 91.8 | Very high | 91.5 | Very high | 47 Ų | 47 | 29.8 Ų | 29.8 | 22% | 0.22 | 16% | 0.158 | C | C | . | . | trans | -104.4 | 158.5 | 176.8 | -61.4 | -54.7 | -46 | 0 | 0 | 111.5 | W94 N113 S117 D118 | W94-Q115 HydrophobicContact CZ3-CG 4.16Å; N113-Q115 PolarHBondContact ND2-NE2 2.93Å; N113-Q115 PolarHBondContact O-N 2.96Å; N113-Q115 PolarHBondContact O-NE2 2.88Å; Q115-S117 PolarHBondContact O-N 2.93Å; Q115-S117 VanDerWaalsContact O-N 3.15Å; Q115-D118 PolarHBondContact N-OD2 2.79Å; Q115-D118 WeakPolarHBondContact O-CB 3.28Å; Q115-D118 PolarHBondContact O-N 2.79Å | ||
| 116 | P | 93.2 | Very high | 91.9 | Very high | 9 Ų | 9 | 29.8 Ų | 29.8 | 6% | 0.058 | 16% | 0.158 | C | C | . | . | G | 310 helix | trans | -50.2 | -37 | 171.5 | -33.5 | 41.7 | 0 | 0 | 0 | 113.7 | V42 D118 N119 F170 D197 L199 | V42-P116 HydrophobicContact CG2-CG 4.22Å; P116-D118 PolarHBondContact O-N 2.99Å; P116-N119 VanDerWaalsContact O-CB 3.31Å; P116-N119 WeakPolarHBondContact O-CB 2.95Å; P116-N119 PolarHBondContact O-N 2.95Å; P116-F170 HydrophobicContact CB-CD1 4.31Å; P116-F170 HydrophobicContact CB-CD2 3.7Å; P116-F170 HydrophobicContact CB-CE1 4.2Å; P116-F170 HydrophobicContact CB-CE2 3.58Å; P116-F170 HydrophobicContact CB-CG 4.07Å; P116-F170 HydrophobicContact CB-CZ 3.83Å; P116-F170 HydrophobicContact CG-CD2 4.17Å; P116-F170 HydrophobicContact CG-CG 4.24Å; P116-D197 VanDerWaalsContact CG-O 3.3Å; P116-D197 WeakPolarHBondContact CG-O 3.39Å; P116-L199 HydrophobicContact CG-CD2 3.7Å; P116-L199 HydrophobicContact CG-CG 4.2Å |
| 117 | S | 89.8 | Confident | 91.8 | Very high | 78 Ų | 78 | 29.6 Ų | 29.6 | 55% | 0.545 | 16% | 0.155 | S | C | . | . | G | 310 helix | trans | -66.7 | -19.9 | 178.6 | 62 | 0 | 0 | 0 | 0 | 113.7 | R67 Q115 N119 | R67-S117 PolarHBondContact NH1-O 2.97Å; R67-S117 PolarHBondContact NH2-O 2.95Å; Q115-S117 PolarHBondContact O-N 2.93Å; Q115-S117 VanDerWaalsContact O-N 3.15Å; S117-N119 PolarHBondContact O-N 2.98Å |
| 118 | D | 90.2 | Very high | 91.6 | Very high | 6 Ų | 6 | 32.3 Ų | 32.3 | 3% | 0.032 | 17% | 0.17 | C | C | . | . | G | 310 helix | trans | -75.6 | -13.7 | 178.2 | -68.7 | -47.7 | 0 | 0 | 0 | 113 | Y91 I114 Q115 P116 G120 Y122 L139 V141 | Y91-D118 WeakPolarHBondContact CE1-OD1 3.32Å; Y91-D118 PolarHBondContact OH-OD1 2.8Å; I114-D118 HydrophobicContact CD1-CB 4.33Å; I114-D118 HydrophobicContact CG2-CB 4.46Å; Q115-D118 PolarHBondContact N-OD2 2.79Å; Q115-D118 WeakPolarHBondContact O-CB 3.28Å; Q115-D118 PolarHBondContact O-N 2.79Å; P116-D118 PolarHBondContact O-N 2.99Å; D118-G120 PolarHBondContact O-N 2.68Å; D118-Y122 VanDerWaalsContact O-CE2 3.25Å; D118-Y122 WeakPolarHBondContact O-CE2 3.22Å; D118-Y122 PolarHBondContact O-OH 3.32Å; D118-L139 HydrophobicContact CB-CD2 4.26Å; D118-V141 HydrophobicContact CB-CG2 4.47Å |
| 119 | N | 92.8 | Very high | 91.2 | Very high | 67 Ų | 67 | 34.7 Ų | 34.7 | 36% | 0.358 | 20% | 0.195 | S | C | . | . | trans | -58.2 | 127.1 | 176.2 | -178.7 | 78 | 0 | 0 | 0 | 111.1 | R67 P116 S117 L139 K140 V141 F170 | R67-N119 PolarHBondContact NH2-O 2.96Å; P116-N119 VanDerWaalsContact O-CB 3.31Å; P116-N119 WeakPolarHBondContact O-CB 2.95Å; P116-N119 PolarHBondContact O-N 2.95Å; S117-N119 PolarHBondContact O-N 2.98Å; N119-L139 PolarHBondContact OD1-O 3.39Å; N119-K140 WeakPolarHBondContact OD1-CA 3.16Å; N119-V141 HydrophobicContact CB-CB 4Å; N119-V141 HydrophobicContact CB-CG2 3.88Å; N119-V141 PolarHBondContact OD1-N 3.3Å; N119-V141 VanDerWaalsContact OD1-N 3.09Å; N119-F170 HydrophobicContact CB-CE1 4.21Å; N119-F170 HydrophobicContact CB-CZ 4.38Å | ||
| 120 | G | 92.7 | Very high | 90.7 | Very high | 16 Ų | 16 | 42.4 Ų | 42.4 | 17% | 0.165 | 24% | 0.237 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 147.5 | -166.3 | 176 | 0 | 0 | 0 | 0 | 0 | 114.4 | D118 Y122 L139 | D118-G120 PolarHBondContact O-N 2.68Å; G120-Y122 WeakPolarHBondContact O-CD2 3.31Å; G120-L139 PolarHBondContact N-O 3.12Å; G120-L139 PolarHBondContact O-N 2.68Å |
| 121 | Q | 93.8 | Very high | 90.3 | Very high | 81 Ų | 81 | 45.1 Ų | 45.1 | 38% | 0.379 | 25% | 0.246 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -91.6 | 131.6 | -175.8 | -169.9 | 173.2 | 9.6 | 0 | 0 | 111.2 | S68 S136 L137 | S68-Q121 PolarHBondContact N-O 2.84Å; Q121-S136 PolarHBondContact NE2-OG 2.83Å; Q121-L137 WeakPolarHBondContact CA-O 3.49Å |
| 122 | Y | 93.3 | Very high | 90 | Very high | 0 Ų | 0 | 49 Ų | 49 | 0% | 0 | 27% | 0.273 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.2 | 154.9 | 175.4 | -69 | -105.7 | 0 | 0 | 0 | 109.3 | L48 Y66 R67 V74 I111 D118 G120 S136 L137 L139 | L48-Y122 HydrophobicContact CD1-CD1 3.7Å; L48-Y122 HydrophobicContact CD1-CD2 4.46Å; L48-Y122 HydrophobicContact CD1-CE1 4.11Å; L48-Y122 HydrophobicContact CD1-CG 3.91Å; Y66-Y122 CarbonylContact O-C 3.55Å; Y66-Y122 WeakPolarHBondContact O-CA 3.46Å; R67-Y122 HydrophobicContact CG-CD1 3.83Å; R67-Y122 HydrophobicContact CG-CE1 3.49Å; R67-Y122 VanDerWaalsContact CG-CE1 3.49Å; R67-Y122 HydrophobicContact CG-CG 4.48Å; V74-Y122 HydrophobicContact CG2-CD1 4.33Å; V74-Y122 HydrophobicContact CG2-CE1 4.07Å; I111-Y122 HydrophobicContact CD1-CE1 3.93Å; D118-Y122 VanDerWaalsContact O-CE2 3.25Å; D118-Y122 WeakPolarHBondContact O-CE2 3.22Å; D118-Y122 PolarHBondContact O-OH 3.32Å; G120-Y122 WeakPolarHBondContact O-CD2 3.31Å; Y122-S136 CarbonylContact O-C 3.59Å; Y122-S136 VanDerWaalsContact O-CA 3.25Å; Y122-S136 WeakPolarHBondContact O-CA 3.29Å; Y122-L137 HydrophobicContact CG-CD1 4.38Å; Y122-L137 PolarHBondContact N-O 2.81Å; Y122-L137 PolarHBondContact O-N 2.88Å; Y122-L139 HydrophobicContact CD2-CB 3.97Å; Y122-L139 HydrophobicContact CE2-CB 3.72Å; Y122-L139 HydrophobicContact CE2-CD2 3.84Å; Y122-L139 HydrophobicContact CE2-CG 4.43Å |
| 123 | W | 92.8 | Very high | 89.8 | Confident | 60 Ų | 60 | 47.2 Ų | 47.2 | 23% | 0.227 | 27% | 0.268 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.5 | 138.2 | 174.9 | -70.3 | 86.1 | 0 | 0 | 0 | 109.9 | W65 Y66 S68 E134 T135 | W65-W123 VanDerWaalsContact CA-O 3.3Å; W65-W123 WeakPolarHBondContact CA-O 3.45Å; Y66-W123 HydrophobicContact CD1-CB 4.14Å; Y66-W123 HydrophobicContact CD2-CB 3.82Å; Y66-W123 AromaticContact CD2-CD1 3.99Å; Y66-W123 HydrophobicContact CD2-CG 4.13Å; Y66-W123 HydrophobicContact CE1-CB 3.72Å; Y66-W123 HydrophobicContact CE2-CB 3.37Å; Y66-W123 AromaticContact CE2-CD1 3.54Å; Y66-W123 HydrophobicContact CE2-CD2 4.34Å; Y66-W123 AromaticContact CE2-CG 3.45Å; Y66-W123 HydrophobicContact CE2-CG 3.45Å; Y66-W123 VanDerWaalsContact CE2-CG 3.45Å; Y66-W123 HydrophobicContact CG-CB 4.18Å; Y66-W123 AromaticContact CZ-CG 3.72Å; Y66-W123 PolarHBondContact N-O 2.74Å; Y66-W123 VanDerWaalsContact N-O 3.13Å; Y66-W123 PolarHBondContact O-N 2.83Å; S68-W123 PolarHBondContact OG-NE1 2.85Å; W123-E134 HydrophobicContact CE3-CB 4.21Å; W123-E134 HydrophobicContact CE3-CG 3.93Å; W123-E134 HydrophobicContact CZ3-CG 3.88Å; W123-E134 VanDerWaalsContact CZ3-OE1 3.31Å; W123-E134 WeakPolarHBondContact CZ3-OE1 3.49Å; W123-T135 WeakPolarHBondContact CA-O 3.39Å |
| 124 | C | 92.6 | Very high | 89.9 | Confident | 0 Ų | 0 | 48.1 Ų | 48.1 | 0% | 0 | 27% | 0.27 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112 | 115.5 | 167.4 | -172.6 | 0 | 0 | 0 | 0 | 108.5 | C50 W65 F126 E134 T135 L137 | C50-C124 HydrophobicContact CB-CB 3.72Å; C50-C124 VanDerWaalsContact CB-SG 3.52Å; C50-C124 WeakPolarHBondContact SG-CB 3.39Å; W65-C124 HydrophobicContact CD2-CB 4.19Å; W65-C124 HydrophobicContact CE3-CB 3.94Å; W65-C124 HydrophobicContact CH2-CB 3.78Å; W65-C124 HydrophobicContact CZ2-CB 4.03Å; W65-C124 VanDerWaalsContact CZ2-SG 3.53Å; W65-C124 HydrophobicContact CZ3-CB 3.73Å; C124-F126 WeakPolarHBondContact SG-CE2 3.15Å; C124-E134 WeakPolarHBondContact O-CA 2.83Å; C124-T135 HydrophobicContact CB-CG2 4.32Å; C124-T135 PolarHBondContact N-O 2.91Å; C124-T135 PolarHBondContact O-N 3.01Å; C124-L137 HydrophobicContact CB-CD2 4.34Å |
| 125 | H | 91.3 | Very high | 89.9 | Confident | 20 Ų | 20 | 49.5 Ų | 49.5 | 9% | 0.093 | 28% | 0.278 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113 | 134.3 | -177 | 172.2 | 94.4 | 0 | 0 | 0 | 110.1 | V63 R64 Y66 Q127 C132 E134 | V63-H125 CarbonylContact C-O 3.43Å; V63-H125 WeakPolarHBondContact CA-O 3.14Å; R64-H125 HydrophobicContact CB-CB 4.24Å; R64-H125 PolarHBondContact N-O 2.97Å; R64-H125 PolarHBondContact O-N 2.81Å; Y66-H125 HydrophobicContact CE1-CB 3.85Å; H125-Q127 PolarHBondContact NE2-OE1 3.09Å; H125-C132 VanDerWaalsContact CE1-CB 3.5Å; H125-C132 WeakPolarHBondContact CE1-CB 3.48Å; H125-E134 HydrophobicContact CB-CB 4.26Å; H125-E134 IonicContact ND1-OE2 2.89Å |
| 126 | F | 90.1 | Very high | 90 | Very high | 0 Ų | 0 | 49.4 Ų | 49.4 | 0% | 0 | 28% | 0.283 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.2 | 133.7 | 174.9 | -76.8 | -108.4 | 0 | 0 | 0 | 109.4 | F29 V31 C50 L52 T58 V61 E62 V63 V107 C124 C132 G133 | F29-F126 HydrophobicContact CE2-CB 3.72Å; F29-F126 HydrophobicContact CZ-CB 4.16Å; V31-F126 HydrophobicContact CB-CD2 4.27Å; V31-F126 HydrophobicContact CG1-CD2 3.73Å; V31-F126 HydrophobicContact CG1-CE2 3.64Å; V31-F126 HydrophobicContact CG2-CB 3.96Å; V31-F126 HydrophobicContact CG2-CD2 3.44Å; V31-F126 VanDerWaalsContact CG2-CD2 3.44Å; V31-F126 HydrophobicContact CG2-CE2 4.11Å; V31-F126 HydrophobicContact CG2-CG 3.93Å; C50-F126 HydrophobicContact CB-CE2 4.35Å; L52-F126 HydrophobicContact CB-CE1 4.37Å; L52-F126 HydrophobicContact CD1-CB 4.49Å; L52-F126 HydrophobicContact CD1-CD1 3.65Å; L52-F126 HydrophobicContact CD1-CE1 4.05Å; L52-F126 HydrophobicContact CD1-CG 4.23Å; T58-F126 HydrophobicContact CG2-CD1 4.24Å; T58-F126 HydrophobicContact CG2-CE1 3.66Å; V61-F126 HydrophobicContact CG1-CB 4.15Å; V61-F126 HydrophobicContact CG1-CD1 3.73Å; V61-F126 HydrophobicContact CG1-CG 4.43Å; E62-F126 CarbonylContact O-C 3.6Å; E62-F126 WeakPolarHBondContact O-CA 3.17Å; V63-F126 HydrophobicContact CG1-CE2 4.35Å; V63-F126 HydrophobicContact CG1-CZ 4.38Å; V63-F126 HydrophobicContact CG2-CD1 3.71Å; V63-F126 HydrophobicContact CG2-CE1 3.62Å; V63-F126 HydrophobicContact CG2-CG 4.36Å; V63-F126 HydrophobicContact CG2-CZ 4.22Å; V107-F126 HydrophobicContact CB-CZ 4.19Å; V107-F126 HydrophobicContact CG1-CE1 3.93Å; V107-F126 HydrophobicContact CG1-CZ 3.76Å; V107-F126 HydrophobicContact CG2-CE1 4.31Å; V107-F126 HydrophobicContact CG2-CE2 3.85Å; V107-F126 HydrophobicContact CG2-CZ 3.35Å; C124-F126 WeakPolarHBondContact SG-CE2 3.15Å; F126-C132 VanDerWaalsContact O-CA 3.29Å; F126-C132 WeakPolarHBondContact O-CA 3.45Å; F126-G133 PolarHBondContact N-O 2.99Å; F126-G133 PolarHBondContact O-N 3.35Å; F126-G133 VanDerWaalsContact O-N 3.11Å |
| 127 | Q | 87.8 | Confident | 90 | Very high | 49 Ų | 49 | 49.2 Ų | 49.2 | 23% | 0.229 | 28% | 0.282 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.4 | 120.4 | 177.7 | -173.9 | 73.7 | 37.3 | 0 | 0 | 110.3 | V61 E62 H125 G129 | V61-Q127 WeakPolarHBondContact CG1-O 3.38Å; E62-Q127 HydrophobicContact CB-CB 4.16Å; E62-Q127 PolarHBondContact N-O 2.72Å; E62-Q127 PolarHBondContact O-N 3.45Å; H125-Q127 PolarHBondContact NE2-OE1 3.09Å; Q127-G129 PolarHBondContact NE2-O 3.28Å |
| 128 | D | 85.8 | Confident | 90.2 | Very high | 60 Ų | 60 | 49 Ų | 49 | 32% | 0.321 | 27% | 0.274 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.1 | 99.1 | 175.8 | -176.1 | 10.1 | 0 | 0 | 0 | 109.3 | F29 R56 V61 N130 Y131 | F29-D128 HydrophobicContact CE1-CB 3.98Å; F29-D128 HydrophobicContact CZ-CB 4.45Å; R56-D128 IonicContact CZ-OD2 2.96Å; R56-D128 IonicContact NH2-OD2 3.76Å; R56-D128 PolarHBondContact NH2-OD2 3.42Å; V61-D128 HydrophobicContact CG1-CB 4.25Å; V61-D128 HydrophobicContact CG2-CB 4.22Å; D128-N130 PolarHBondContact O-N 3.07Å; D128-N130 VanDerWaalsContact O-N 3.16Å; D128-Y131 PolarHBondContact N-O 3.28Å; D128-Y131 PolarHBondContact O-N 3.14Å |
| 129 | G | 83.8 | Confident | 90.5 | Very high | 62 Ų | 62 | 48.7 Ų | 48.7 | 64% | 0.639 | 27% | 0.272 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 59.2 | -116.5 | -172 | 0 | 0 | 0 | 0 | 0 | 111.9 | Q127 | Q127-G129 PolarHBondContact NE2-O 3.28Š|
| 130 | N | 81 | Confident | 90.6 | Very high | 162 Ų | 162 | 49.7 Ų | 49.7 | 87% | 0.866 | 27% | 0.273 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -92.4 | -2.4 | 179.1 | -68.2 | -18.9 | 0 | 0 | 0 | 113.9 | D128 | D128-N130 PolarHBondContact O-N 3.07Å; D128-N130 VanDerWaalsContact O-N 3.16Å |
| 131 | Y | 84.1 | Confident | 90.8 | Very high | 107 Ų | 107 | 49 Ų | 49 | 42% | 0.42 | 27% | 0.266 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.6 | 135.3 | -177.7 | -65 | -86.4 | 0 | 0 | 0 | 110.4 | S26 D128 | S26-Y131 VanDerWaalsContact OG-CE2 3.26Å; S26-Y131 WeakPolarHBondContact OG-CE2 3.41Å; S26-Y131 VanDerWaalsContact OG-CZ 3.25Å; S26-Y131 PolarHBondContact OG-OH 2.93Å; D128-Y131 PolarHBondContact N-O 3.28Å; D128-Y131 PolarHBondContact O-N 3.14Å |
| 132 | C | 86.4 | Confident | 90.9 | Very high | 83 Ų | 83 | 45.2 Ų | 45.2 | 56% | 0.561 | 25% | 0.248 | S | C | * | . | E | Extended strand (participates in β ladder) | trans | -128.2 | 149.6 | 173.8 | 61.2 | 0 | 0 | 0 | 0 | 111.3 | H125 F126 | H125-C132 VanDerWaalsContact CE1-CB 3.5Å; H125-C132 WeakPolarHBondContact CE1-CB 3.48Å; F126-C132 VanDerWaalsContact O-CA 3.29Å; F126-C132 WeakPolarHBondContact O-CA 3.45Å |
| 133 | G | 89.4 | Confident | 91 | Very high | 13 Ų | 13 | 45.6 Ų | 45.6 | 13% | 0.134 | 25% | 0.252 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -147.4 | 146.3 | 169.2 | 0 | 0 | 0 | 0 | 0 | 109 | V31 F126 | V31-G133 VanDerWaalsContact CG2-C 3.44Å; V31-G133 VanDerWaalsContact CG2-O 3.25Å; V31-G133 WeakPolarHBondContact CG2-O 3.35Å; F126-G133 PolarHBondContact N-O 2.99Å; F126-G133 PolarHBondContact O-N 3.35Å; F126-G133 VanDerWaalsContact O-N 3.11Å |
| 134 | E | 92.2 | Very high | 91 | Very high | 91 Ų | 91 | 45.8 Ų | 45.8 | 43% | 0.425 | 26% | 0.257 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -143.7 | 161.6 | -178.6 | 64.6 | -177.8 | -153.9 | 0 | 0 | 111.4 | Y66 W123 C124 H125 | Y66-E134 PolarHBondContact OH-OE2 2.86Å; W123-E134 HydrophobicContact CE3-CB 4.21Å; W123-E134 HydrophobicContact CE3-CG 3.93Å; W123-E134 HydrophobicContact CZ3-CG 3.88Å; W123-E134 VanDerWaalsContact CZ3-OE1 3.31Å; W123-E134 WeakPolarHBondContact CZ3-OE1 3.49Å; C124-E134 WeakPolarHBondContact O-CA 2.83Å; H125-E134 HydrophobicContact CB-CB 4.26Å; H125-E134 IonicContact ND1-OE2 2.89Å |
| 135 | T | 93.7 | Very high | 91 | Very high | 28 Ų | 28 | 46.1 Ų | 46.1 | 17% | 0.172 | 26% | 0.261 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -145.1 | 152.3 | 172.6 | -161 | 0 | 0 | 0 | 0 | 108.7 | V31 G33 C50 W123 C124 | V31-T135 HydrophobicContact CB-CG2 4.39Å; V31-T135 HydrophobicContact CG1-CG2 3.66Å; G33-T135 PolarHBondContact N-OG1 2.98Å; C50-T135 HydrophobicContact CB-CG2 4.2Å; C50-T135 WeakPolarHBondContact SG-CG2 3.42Å; W123-T135 WeakPolarHBondContact CA-O 3.39Å; C124-T135 HydrophobicContact CB-CG2 4.32Å; C124-T135 PolarHBondContact N-O 2.91Å; C124-T135 PolarHBondContact O-N 3.01Å |
| 136 | S | 92.8 | Very high | 90.9 | Very high | 45 Ų | 45 | 47 Ų | 47 | 32% | 0.315 | 27% | 0.27 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.3 | 152.9 | 174.6 | 71.1 | 0 | 0 | 0 | 0 | 111.3 | Q121 Y122 | Q121-S136 PolarHBondContact NE2-OG 2.83Å; Y122-S136 CarbonylContact O-C 3.59Å; Y122-S136 VanDerWaalsContact O-CA 3.25Å; Y122-S136 WeakPolarHBondContact O-CA 3.29Å |
| 137 | L | 93.8 | Very high | 91.1 | Very high | 6 Ų | 6 | 49.9 Ų | 49.9 | 3% | 0.031 | 29% | 0.293 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -139.7 | 146.8 | 177.6 | 44.6 | 124.7 | 0 | 0 | 0 | 109 | P34 I38 L48 C50 W65 Q121 Y122 C124 | P34-L137 HydrophobicContact CG-CB 3.95Å; I38-L137 HydrophobicContact CD1-CD1 4.18Å; L48-L137 HydrophobicContact CB-CD1 3.88Å; L48-L137 HydrophobicContact CD1-CD1 3.93Å; L48-L137 HydrophobicContact CD2-CD1 3.72Å; L48-L137 HydrophobicContact CG-CD1 4.04Å; C50-L137 WeakPolarHBondContact SG-CD2 3.42Å; W65-L137 HydrophobicContact CE3-CD2 4.42Å; W65-L137 HydrophobicContact CH2-CD2 4.12Å; W65-L137 HydrophobicContact CZ3-CD1 3.92Å; W65-L137 HydrophobicContact CZ3-CD2 3.48Å; W65-L137 VanDerWaalsContact CZ3-CD2 3.48Å; W65-L137 HydrophobicContact CZ3-CG 4.28Å; Q121-L137 WeakPolarHBondContact CA-O 3.49Å; Y122-L137 HydrophobicContact CG-CD1 4.38Å; Y122-L137 PolarHBondContact N-O 2.81Å; Y122-L137 PolarHBondContact O-N 2.88Å; C124-L137 HydrophobicContact CB-CD2 4.34Å |
| 138 | L | 95.1 | Very high | 91.4 | Very high | 72 Ų | 72 | 47.8 Ų | 47.8 | 38% | 0.377 | 28% | 0.284 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.1 | 117.5 | 179.2 | -176.9 | 63.7 | 0 | 0 | 0 | 109.1 | P37 I38 K140 | P37-L138 CarbonylContact C-O 3.52Å; P37-L138 VanDerWaalsContact CA-O 3.28Å; P37-L138 WeakPolarHBondContact CA-O 3.26Å; P37-L138 HydrophobicContact CB-CB 4.27Å; P37-L138 HydrophobicContact CB-CD2 4.22Å; P37-L138 HydrophobicContact CB-CG 4.32Å; P37-L138 HydrophobicContact CG-CD2 4.03Å; I38-L138 PolarHBondContact N-O 3.12Å; L138-K140 HydrophobicContact CD2-CG 4.27Å; L138-K140 HydrophobicContact CG-CG 4.26Å |
| 139 | L | 94.9 | Very high | 91.6 | Very high | 0 Ų | 0 | 47.1 Ų | 47.1 | 0% | 0 | 28% | 0.284 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.1 | 117.3 | 167.5 | -179.5 | 62.3 | 0 | 0 | 0 | 108.2 | I38 A40 A46 L48 I114 D118 N119 G120 Y122 V141 | I38-L139 HydrophobicContact CB-CD1 4.18Å; I38-L139 HydrophobicContact CG2-CD1 3.98Å; A40-L139 HydrophobicContact CB-CD1 3.98Å; A46-L139 HydrophobicContact CB-CD1 3.86Å; A46-L139 HydrophobicContact CB-CD2 4.41Å; L48-L139 HydrophobicContact CD2-CD1 4.37Å; I114-L139 HydrophobicContact CD1-CD2 4.09Å; D118-L139 HydrophobicContact CB-CD2 4.26Å; N119-L139 PolarHBondContact OD1-O 3.39Å; G120-L139 PolarHBondContact N-O 3.12Å; G120-L139 PolarHBondContact O-N 2.68Å; Y122-L139 HydrophobicContact CD2-CB 3.97Å; Y122-L139 HydrophobicContact CE2-CB 3.72Å; Y122-L139 HydrophobicContact CE2-CD2 3.84Å; Y122-L139 HydrophobicContact CE2-CG 4.43Å; L139-V141 HydrophobicContact CD2-CG2 4.36Å; L139-V141 HydrophobicContact CG-CG2 4.18Å |
| 140 | K | 95.9 | Very high | 91.9 | Very high | 89 Ų | 89 | 45.2 Ų | 45.2 | 39% | 0.387 | 26% | 0.258 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.4 | 118.3 | 170.9 | -76 | -169.3 | 173.3 | -171.6 | 0 | 108.9 | P37 I38 L39 A40 N119 L138 V224 | P37-K140 HydrophobicContact CB-CD 4.01Å; P37-K140 HydrophobicContact CB-CG 4Å; P37-K140 HydrophobicContact CG-CD 4.37Å; I38-K140 PolarHBondContact O-N 3.12Å; L39-K140 WeakPolarHBondContact CA-O 3.21Å; L39-K140 HydrophobicContact CD1-CB 4.46Å; A40-K140 PolarHBondContact N-O 2.9Å; N119-K140 WeakPolarHBondContact OD1-CA 3.16Å; L138-K140 HydrophobicContact CD2-CG 4.27Å; L138-K140 HydrophobicContact CG-CG 4.26Å; K140-V224 HydrophobicContact CB-CG1 4.44Å; K140-V224 HydrophobicContact CD-CG1 4.48Å |
| 141 | V | 96.2 | Very high | 92 | Very high | 1 Ų | 1 | 42.3 Ų | 42.3 | 1% | 0.006 | 24% | 0.24 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -97 | 138 | 176.3 | -178 | 0 | 0 | 0 | 0 | 109.2 | A40 V42 I114 D118 N119 L139 F170 | A40-V141 WeakPolarHBondContact O-CA 3.22Å; V42-V141 HydrophobicContact CG2-CG1 3.65Å; I114-V141 HydrophobicContact CG2-CB 4.19Å; I114-V141 HydrophobicContact CG2-CG1 3.6Å; I114-V141 HydrophobicContact CG2-CG2 3.51Å; D118-V141 HydrophobicContact CB-CG2 4.47Å; N119-V141 HydrophobicContact CB-CB 4Å; N119-V141 HydrophobicContact CB-CG2 3.88Å; N119-V141 PolarHBondContact OD1-N 3.3Å; N119-V141 VanDerWaalsContact OD1-N 3.09Å; L139-V141 HydrophobicContact CD2-CG2 4.36Å; L139-V141 HydrophobicContact CG-CG2 4.18Å; V141-F170 HydrophobicContact CB-CD1 4.22Å; V141-F170 HydrophobicContact CB-CE1 3.96Å; V141-F170 HydrophobicContact CG1-CD1 4.03Å; V141-F170 HydrophobicContact CG1-CE1 4.19Å; V141-F170 WeakPolarHBondContact O-CD1 3.41Å; V141-F170 WeakPolarHBondContact O-CE1 3.27Å |
| 142 | A | 96.8 | Very high | 91.5 | Very high | 1 Ų | 1 | 39.6 Ų | 39.6 | 1% | 0.008 | 23% | 0.231 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -143.1 | 146.2 | 172.3 | 0 | 0 | 0 | 0 | 0 | 111.2 | L39 A40 G41 V42 F170 V224 L225 | L39-A142 HydrophobicContact CD1-CB 4.26Å; A40-A142 PolarHBondContact O-N 3.45Å; G41-A142 CarbonylContact C-O 3.51Å; G41-A142 WeakPolarHBondContact CA-O 3.36Å; V42-A142 PolarHBondContact N-O 3.14Å; A142-F170 CarbonylContact C-O 3.51Å; A142-F170 VanDerWaalsContact CA-O 3.25Å; A142-F170 WeakPolarHBondContact CA-O 3.18Å; A142-V224 HydrophobicContact CB-CB 4.02Å; A142-V224 HydrophobicContact CB-CG1 3.95Å; A142-L225 HydrophobicContact CB-CD1 3.84Å; A142-L225 HydrophobicContact CB-CD2 3.85Å; A142-L225 HydrophobicContact CB-CG 3.56Å |
| 143 | G | 94.8 | Very high | 90.7 | Very high | 8 Ų | 8 | 40 Ų | 40 | 8% | 0.082 | 23% | 0.225 | C | C | . | . | B | Isolated β-bridge | trans | -132 | 130.9 | 177.3 | 0 | 0 | 0 | 0 | 0 | 110.3 | F170 N222 | G143-F170 PolarHBondContact N-O 3.5Å; G143-F170 PolarHBondContact O-N 2.86Å; G143-F170 VanDerWaalsContact O-N 3.11Å; G143-N222 PolarHBondContact O-ND2 3.01Å; G143-N222 VanDerWaalsContact O-ND2 3.15Å |
| 144 | L | 93.6 | Very high | 89.1 | Confident | 64 Ų | 64 | 40.6 Ų | 40.6 | 34% | 0.335 | 23% | 0.231 | S | C | . | . | trans | -86.6 | 111.1 | 168.6 | -66.6 | 175.9 | 0 | 0 | 0 | 108.9 | W169 N222 L225 E227 | L144-W169 HydrophobicContact CD2-CH2 4.49Å; L144-W169 HydrophobicContact CD2-CZ3 4.04Å; L144-N222 HydrophobicContact CD2-CB 4.1Å; L144-L225 HydrophobicContact CD1-CD1 4.26Å; L144-L225 HydrophobicContact CD2-CD1 3.66Å; L144-L225 HydrophobicContact CG-CD1 3.57Å; L144-E227 VanDerWaalsContact CD1-OE2 3.23Å; L144-E227 WeakPolarHBondContact CD1-OE2 3.37Å; L144-E227 HydrophobicContact CD2-CB 3.95Å | ||
| 145 | G | 91.3 | Very high | 87.2 | Confident | 7 Ų | 7 | 40.3 Ų | 40.3 | 7% | 0.072 | 24% | 0.237 | C | C | . | . | trans | -73.1 | -166 | 178.6 | 0 | 0 | 0 | 0 | 0 | 113.7 | R167 G168 K229 | G145-R167 CarbonylContact C-O 3.6Å; G145-R167 WeakPolarHBondContact CA-O 3.42Å; G145-G168 VanDerWaalsContact CA-C 3.5Å; G145-G168 WeakPolarHBondContact CA-O 3.47Å; G145-G168 PolarHBondContact N-O 2.81Å; G145-K229 PolarHBondContact O-NZ 2.9Å | ||
| 146 | S | 90.6 | Very high | 85 | Confident | 40 Ų | 40 | 40.9 Ų | 40.9 | 28% | 0.28 | 25% | 0.249 | S | C | . | . | P | Polyproline II helix | trans | -61.5 | 151.3 | 174.3 | 67.9 | 0 | 0 | 0 | 0 | 110.9 | R167 W169 | S146-R167 PolarHBondContact N-O 2.77Å; S146-R167 WeakPolarHBondContact OG-CG 3.31Å; S146-R167 PolarHBondContact OG-N 2.96Å; S146-R167 VanDerWaalsContact OG-N 3.08Å; S146-W169 WeakPolarHBondContact O-CZ2 3.39Å; S146-W169 PolarHBondContact O-NE1 3.37Å |
| 147 | A | 93.1 | Very high | 82.8 | Confident | 60 Ų | 60 | 49 Ų | 49 | 50% | 0.496 | 28% | 0.282 | S | S | . | . | P | Polyproline II helix | trans | -56.5 | 143.3 | 162.2 | 0 | 0 | 0 | 0 | 0 | 108.9 | ||
| 148 | P | 95.4 | Very high | 80.9 | Confident | 5 Ų | 5 | 52 Ų | 52 | 3% | 0.032 | 30% | 0.303 | C | S | . | . | P | Polyproline II helix | trans | -63 | 142 | 178 | 22 | -28.9 | 0 | 0 | 0 | 110.8 | C164 T165 A166 C218 V220 K229 S231 | P148-C164 WeakPolarHBondContact CB-SG 3.16Å; P148-T165 CarbonylContact C-O 3.53Å; P148-T165 VanDerWaalsContact CA-O 3.3Å; P148-T165 WeakPolarHBondContact CA-O 3.28Å; P148-A166 HydrophobicContact CB-CB 4.37Å; P148-C218 WeakPolarHBondContact CG-O 3.45Å; P148-V220 HydrophobicContact CB-CG2 3.91Å; P148-V220 HydrophobicContact CG-CG2 4.05Å; P148-K229 WeakPolarHBondContact CD-O 3.35Å; P148-K229 WeakPolarHBondContact CG-O 3.4Å; P148-S231 WeakPolarHBondContact O-CB 3.37Å; P148-S231 PolarHBondContact O-OG 3.34Å |
| 149 | S | 89.7 | Confident | 79.6 | Confident | 45 Ų | 45 | 49.5 Ų | 49.5 | 32% | 0.315 | 30% | 0.295 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.8 | 128.3 | 170.6 | 44.1 | 0 | 0 | 0 | 0 | 109.3 | H151 C164 T165 | S149-H151 WeakPolarHBondContact CB-NE2 3.37Å; S149-H151 PolarHBondContact OG-NE2 2.84Å; S149-C164 CarbonylContact O-C 3.59Å; S149-C164 WeakPolarHBondContact O-CA 3.19Å; S149-T165 PolarHBondContact N-O 2.93Å; S149-T165 PolarHBondContact O-N 3.5Å; S149-T165 PolarHBondContact OG-O 2.74Å; S149-T165 PolarHBondContact OG-OG1 2.94Å |
| 150 | I | 88.9 | Confident | 78.6 | Confident | 22 Ų | 22 | 51 Ų | 51 | 11% | 0.113 | 30% | 0.304 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.5 | 128.1 | 177.6 | -57.4 | 167.1 | 0 | 0 | 0 | 108.2 | L162 V163 C164 W177 C218 S231 I233 | I150-L162 HydrophobicContact CG2-CB 4.4Å; I150-V163 WeakPolarHBondContact CA-O 2.98Å; I150-C164 HydrophobicContact CG1-CB 4.41Å; I150-W177 HydrophobicContact CD1-CH2 4.39Å; I150-W177 HydrophobicContact CD1-CZ3 3.97Å; I150-W177 HydrophobicContact CG1-CH2 4.12Å; I150-W177 HydrophobicContact CG1-CZ3 4.21Å; I150-W177 HydrophobicContact CG2-CH2 3.85Å; I150-W177 HydrophobicContact CG2-CZ3 4.21Å; I150-C218 HydrophobicContact CD1-CB 3.87Å; I150-C218 HydrophobicContact CG1-CB 3.92Å; I150-S231 VanDerWaalsContact CD1-O 3.27Å; I150-S231 WeakPolarHBondContact CD1-O 3.49Å; I150-I233 HydrophobicContact CB-CB 4.33Å; I150-I233 HydrophobicContact CB-CG2 4.45Å; I150-I233 HydrophobicContact CD1-CB 4.21Å; I150-I233 HydrophobicContact CD1-CG2 4.09Å; I150-I233 HydrophobicContact CG2-CB 4.03Å; I150-I233 HydrophobicContact CG2-CD1 4.01Å; I150-I233 HydrophobicContact CG2-CG2 3.72Å |
| 151 | H | 82.8 | Confident | 78 | Confident | 102 Ų | 102 | 49.6 Ų | 49.6 | 47% | 0.472 | 30% | 0.299 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.4 | 147.1 | 176.1 | -47.3 | -74.9 | 0 | 0 | 0 | 109.5 | S149 L162 V163 | S149-H151 WeakPolarHBondContact CB-NE2 3.37Å; S149-H151 PolarHBondContact OG-NE2 2.84Å; H151-L162 WeakPolarHBondContact O-CA 3.49Å; H151-V163 PolarHBondContact N-O 3.41Å; H151-V163 PolarHBondContact O-N 2.69Å |
| 152 | M | 74.3 | Confident | 77.6 | Confident | 49 Ų | 49 | 49.6 Ų | 49.6 | 24% | 0.241 | 30% | 0.299 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.8 | 121.3 | 175.2 | -170.8 | 178.9 | -60.4 | 0 | 0 | 109.2 | V160 L162 L235 | M152-V160 HydrophobicContact CE-CG1 4.02Å; M152-V160 HydrophobicContact CG-CG1 3.58Å; M152-V160 HydrophobicContact SD-CG1 3.68Å; M152-L162 HydrophobicContact CB-CD2 4.15Å; M152-L162 HydrophobicContact CE-CD2 4.31Å; M152-L162 HydrophobicContact CG-CD2 4.14Å; M152-L235 HydrophobicContact CE-CD2 3.93Å |
| 153 | E | 70.3 | Confident | 77.4 | Confident | 91 Ų | 91 | 50.1 Ų | 50.1 | 43% | 0.425 | 30% | 0.302 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.6 | 141.4 | 162.9 | -74.8 | -177.2 | 155 | 0 | 0 | 107.8 | Q161 V163 | E153-Q161 HydrophobicContact CB-CB 4.09Å; E153-Q161 HydrophobicContact CB-CG 4.21Å; E153-Q161 PolarHBondContact N-O 3.35Å; E153-Q161 VanDerWaalsContact O-O 3.08Å; E153-Q161 PolarHBondContact OE2-NE2 2.77Å; E153-V163 VanDerWaalsContact CD-CG2 3.49Å; E153-V163 HydrophobicContact CG-CG2 3.9Å; E153-V163 VanDerWaalsContact OE2-CG2 3.31Å; E153-V163 WeakPolarHBondContact OE2-CG2 3Å |
| 154 | G | 54.7 | Low | 77.3 | Confident | 26 Ų | 26 | 49.8 Ų | 49.8 | 27% | 0.268 | 30% | 0.298 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -51.5 | 169.5 | -169.4 | 0 | 0 | 0 | 0 | 0 | 115.1 | G156 | G154-G156 PolarHBondContact O-N 3.13Å |
| 155 | P | 53 | Low | 77.3 | Confident | 85 Ų | 85 | 47.7 Ų | 47.7 | 55% | 0.552 | 29% | 0.288 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -62 | 112.6 | -177.1 | 25.9 | -32.8 | 0 | 0 | 0 | 110.5 | ||
| 156 | G | 47.2 | Very low | 77.5 | Confident | 40 Ų | 40 | 47.5 Ų | 47.5 | 41% | 0.412 | 29% | 0.286 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -71.9 | 172.2 | 166.5 | 0 | 0 | 0 | 0 | 0 | 110.3 | G154 S158 G159 | G154-G156 PolarHBondContact O-N 3.13Å; G156-S158 PolarHBondContact O-N 2.95Å; G156-G159 PolarHBondContact N-O 2.81Å; G156-G159 PolarHBondContact O-N 2.97Å |
| 157 | E | 47.1 | Very low | 77.6 | Confident | 217 Ų | 217 | 54.3 Ų | 54.3 | 100% | 1.014 | 31% | 0.306 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -57 | -11.4 | 179.1 | -65.9 | -168.1 | 159.8 | 0 | 0 | 114.3 | ||
| 158 | S | 53.6 | Low | 77.6 | Confident | 67 Ų | 67 | 52.7 Ų | 52.7 | 47% | 0.469 | 30% | 0.295 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -131 | 4.5 | -173.9 | 72.9 | 0 | 0 | 0 | 0 | 117.1 | G156 R209 | G156-S158 PolarHBondContact O-N 2.95Å; S158-R209 WeakPolarHBondContact O-CD 3.36Å; S158-R209 VanDerWaalsContact O-CG 3.26Å; S158-R209 WeakPolarHBondContact O-CG 3.3Å |
| 159 | G | 66.9 | Low | 77.7 | Confident | 21 Ų | 21 | 52.5 Ų | 52.5 | 22% | 0.216 | 29% | 0.293 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 153.9 | -175.7 | -180 | 0 | 0 | 0 | 0 | 0 | 114.4 | G156 V208 | G156-G159 PolarHBondContact N-O 2.81Å; G156-G159 PolarHBondContact O-N 2.97Å; G159-V208 WeakPolarHBondContact CA-O 3.49Å |
| 160 | V | 74.9 | Confident | 78 | Confident | 32 Ų | 32 | 51.2 Ų | 51.2 | 19% | 0.194 | 28% | 0.282 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.2 | 129.3 | 175.1 | 177.9 | 0 | 0 | 0 | 0 | 109.3 | M152 L162 V207 V208 | M152-V160 HydrophobicContact CE-CG1 4.02Å; M152-V160 HydrophobicContact CG-CG1 3.58Å; M152-V160 HydrophobicContact SD-CG1 3.68Å; V160-L162 HydrophobicContact CG1-CD2 4.09Å; V160-L162 HydrophobicContact CG1-CG 4.46Å; V160-V207 CarbonylContact O-C 3.51Å; V160-V207 WeakPolarHBondContact O-CA 3.41Å; V160-V208 PolarHBondContact N-O 2.75Å; V160-V208 PolarHBondContact O-N 2.89Å |
| 161 | Q | 83.4 | Confident | 78.4 | Confident | 59 Ų | 59 | 51.8 Ų | 51.8 | 28% | 0.276 | 29% | 0.287 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.7 | 126.9 | 176.7 | -174.8 | 163.7 | -36.4 | 0 | 0 | 109.8 | E153 V163 T205 L206 | E153-Q161 HydrophobicContact CB-CB 4.09Å; E153-Q161 HydrophobicContact CB-CG 4.21Å; E153-Q161 PolarHBondContact N-O 3.35Å; E153-Q161 VanDerWaalsContact O-O 3.08Å; E153-Q161 PolarHBondContact OE2-NE2 2.77Å; Q161-V163 HydrophobicContact CG-CG2 4.42Å; Q161-T205 HydrophobicContact CG-CG2 3.46Å; Q161-T205 VanDerWaalsContact CG-CG2 3.46Å; Q161-L206 WeakPolarHBondContact CA-O 3.34Å |
| 162 | L | 87.6 | Confident | 79 | Confident | 0 Ų | 0 | 51.3 Ų | 51.3 | 0% | 0 | 29% | 0.285 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.7 | 127 | 176.3 | -59.9 | 176.1 | 0 | 0 | 0 | 108.2 | I150 H151 M152 V160 W177 T205 L206 V208 V216 I233 L235 | I150-L162 HydrophobicContact CG2-CB 4.4Å; H151-L162 WeakPolarHBondContact O-CA 3.49Å; M152-L162 HydrophobicContact CB-CD2 4.15Å; M152-L162 HydrophobicContact CE-CD2 4.31Å; M152-L162 HydrophobicContact CG-CD2 4.14Å; V160-L162 HydrophobicContact CG1-CD2 4.09Å; V160-L162 HydrophobicContact CG1-CG 4.46Å; L162-W177 HydrophobicContact CB-CH2 3.83Å; L162-W177 HydrophobicContact CB-CZ2 4.39Å; L162-W177 HydrophobicContact CB-CZ3 4.38Å; L162-T205 CarbonylContact O-C 3.54Å; L162-T205 WeakPolarHBondContact O-CA 3.49Å; L162-L206 HydrophobicContact CB-CB 4.46Å; L162-L206 HydrophobicContact CD1-CD2 4.48Å; L162-L206 PolarHBondContact N-O 3.09Å; L162-L206 PolarHBondContact O-N 2.03Å; L162-V208 HydrophobicContact CD1-CG2 3.73Å; L162-V208 HydrophobicContact CG-CG2 4.36Å; L162-V216 HydrophobicContact CD1-CG2 3.35Å; L162-I233 HydrophobicContact CD1-CG2 4.12Å; L162-I233 HydrophobicContact CD2-CD1 4.37Å; L162-L235 HydrophobicContact CD1-CD2 4.29Å; L162-L235 HydrophobicContact CD2-CD2 4.27Å |
| 163 | V | 91.9 | Very high | 80.1 | Confident | 12 Ų | 12 | 49 Ų | 49 | 7% | 0.073 | 27% | 0.274 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.4 | 124 | 178.3 | -175.3 | 0 | 0 | 0 | 0 | 108.1 | I150 H151 E153 Q161 T165 E203 T205 | I150-V163 WeakPolarHBondContact CA-O 2.98Å; H151-V163 PolarHBondContact N-O 3.41Å; H151-V163 PolarHBondContact O-N 2.69Å; E153-V163 VanDerWaalsContact CD-CG2 3.49Å; E153-V163 HydrophobicContact CG-CG2 3.9Å; E153-V163 VanDerWaalsContact OE2-CG2 3.31Å; E153-V163 WeakPolarHBondContact OE2-CG2 3Å; Q161-V163 HydrophobicContact CG-CG2 4.42Å; V163-T165 HydrophobicContact CG1-CG2 4Å; V163-E203 HydrophobicContact CG1-CG 3.93Å; V163-T205 HydrophobicContact CG2-CG2 4.39Å |
| 164 | C | 94.3 | Very high | 81.3 | Confident | 1 Ų | 1 | 49.2 Ų | 49.2 | 1% | 0.007 | 28% | 0.275 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.5 | 128.6 | 174.1 | 174.4 | 0 | 0 | 0 | 0 | 109.4 | P148 S149 I150 W177 E203 A204 C218 | P148-C164 WeakPolarHBondContact CB-SG 3.16Å; S149-C164 CarbonylContact O-C 3.59Å; S149-C164 WeakPolarHBondContact O-CA 3.19Å; I150-C164 HydrophobicContact CG1-CB 4.41Å; C164-W177 HydrophobicContact CB-CH2 3.6Å; C164-W177 HydrophobicContact CB-CZ2 3.26Å; C164-E203 CarbonylContact O-C 3.58Å; C164-E203 VanDerWaalsContact O-CA 3.24Å; C164-E203 WeakPolarHBondContact O-CA 3.35Å; C164-A204 PolarHBondContact N-O 2.95Å; C164-A204 PolarHBondContact O-N 3.14Å; C164-C218 HydrophobicContact CB-CB 3.57Å; C164-C218 WeakPolarHBondContact CB-SG 3.29Å; C164-C218 WeakPolarHBondContact SG-CB 3.12Å; C164-C218 CovalentContact SG-SG 2.02Å; C164-C218 PolarHBondContact SG-SG 2.82Å |
| 165 | T | 93.3 | Very high | 83.2 | Confident | 21 Ų | 21 | 48.5 Ų | 48.5 | 13% | 0.129 | 27% | 0.265 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.8 | 142.1 | 179.8 | 60.7 | 0 | 0 | 0 | 0 | 110.9 | P148 S149 V163 Y201 A202 E203 | P148-T165 CarbonylContact C-O 3.53Å; P148-T165 VanDerWaalsContact CA-O 3.3Å; P148-T165 WeakPolarHBondContact CA-O 3.28Å; S149-T165 PolarHBondContact N-O 2.93Å; S149-T165 PolarHBondContact O-N 3.5Å; S149-T165 PolarHBondContact OG-O 2.74Å; S149-T165 PolarHBondContact OG-OG1 2.94Å; V163-T165 HydrophobicContact CG1-CG2 4Å; T165-Y201 HydrophobicContact CG2-CE2 4.43Å; T165-Y201 WeakPolarHBondContact CG2-OH 3.44Å; T165-A202 CarbonylContact C-O 3.51Å; T165-A202 WeakPolarHBondContact CA-O 3.24Å; T165-E203 HydrophobicContact CG2-CG 4.21Å |
| 166 | A | 94.3 | Very high | 85.2 | Confident | 3 Ų | 3 | 46.3 Ų | 46.3 | 3% | 0.025 | 25% | 0.246 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -149.5 | 144.6 | 176.2 | 0 | 0 | 0 | 0 | 0 | 110.6 | P148 Y201 A202 V220 | P148-A166 HydrophobicContact CB-CB 4.37Å; A166-Y201 CarbonylContact O-C 3.51Å; A166-Y201 WeakPolarHBondContact O-CA 3.13Å; A166-A202 PolarHBondContact N-O 2.82Å; A166-A202 PolarHBondContact O-N 2.76Å; A166-V220 HydrophobicContact CB-CG2 3.82Å |
| 167 | R | 93.8 | Very high | 87.4 | Confident | 183 Ų | 183 | 44.4 Ų | 44.4 | 69% | 0.691 | 23% | 0.227 | S | C | * | . | E | Extended strand (participates in β ladder) | trans | -131 | 159.1 | -174.1 | 63 | 177.3 | -179 | -177.1 | 0.5 | 112.7 | G145 S146 F200 Y201 | G145-R167 CarbonylContact C-O 3.6Å; G145-R167 WeakPolarHBondContact CA-O 3.42Å; S146-R167 PolarHBondContact N-O 2.77Å; S146-R167 WeakPolarHBondContact OG-CG 3.31Å; S146-R167 PolarHBondContact OG-N 2.96Å; S146-R167 VanDerWaalsContact OG-N 3.08Å; R167-F200 CarbonylContact C-O 3.58Å; R167-Y201 HydrophobicContact CB-CD2 4.32Å |
| 168 | G | 93.1 | Very high | 89.6 | Confident | 26 Ų | 26 | 36 Ų | 36 | 27% | 0.268 | 19% | 0.188 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | 78.4 | 23.7 | 171.7 | 0 | 0 | 0 | 0 | 0 | 114.5 | G145 F200 | G145-G168 VanDerWaalsContact CA-C 3.5Å; G145-G168 WeakPolarHBondContact CA-O 3.47Å; G145-G168 PolarHBondContact N-O 2.81Å; G168-F200 PolarHBondContact N-O 2.82Å; G168-F200 VanDerWaalsContact N-O 3.09Å |
| 169 | W | 96.9 | Very high | 91.1 | Very high | 0 Ų | 0 | 33.6 Ų | 33.6 | 0% | 0 | 17% | 0.169 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -90.6 | 143 | -179.1 | -71.1 | 81 | 0 | 0 | 0 | 111.4 | L144 S146 P173 F200 V220 N222 K229 | L144-W169 HydrophobicContact CD2-CH2 4.49Å; L144-W169 HydrophobicContact CD2-CZ3 4.04Å; S146-W169 WeakPolarHBondContact O-CZ2 3.39Å; S146-W169 PolarHBondContact O-NE1 3.37Å; W169-P173 HydrophobicContact CB-CB 3.92Å; W169-P173 HydrophobicContact CB-CG 3.71Å; W169-P173 HydrophobicContact CD2-CB 4.19Å; W169-P173 HydrophobicContact CE3-CB 4.12Å; W169-P173 HydrophobicContact CG-CB 4.11Å; W169-P173 HydrophobicContact CG-CG 4.11Å; W169-F200 HydrophobicContact CB-CB 4.44Å; W169-F200 PolarHBondContact N-O 2.89Å; W169-F200 WeakPolarHBondContact O-CB 3.3Å; W169-F200 WeakPolarHBondContact O-CD2 3.43Å; W169-F200 PolarHBondContact O-N 3.16Å; W169-V220 HydrophobicContact CD2-CG1 3.59Å; W169-V220 HydrophobicContact CE3-CG1 3.87Å; W169-V220 HydrophobicContact CG-CG1 4.19Å; W169-V220 HydrophobicContact CH2-CB 3.89Å; W169-V220 HydrophobicContact CH2-CG1 3.82Å; W169-V220 WeakPolarHBondContact CH2-O 3.46Å; W169-V220 HydrophobicContact CZ2-CB 3.63Å; W169-V220 HydrophobicContact CZ2-CG1 3.54Å; W169-V220 HydrophobicContact CZ3-CB 4.46Å; W169-V220 HydrophobicContact CZ3-CG1 3.97Å; W169-N222 HydrophobicContact CE3-CB 4.2Å; W169-N222 HydrophobicContact CZ3-CB 3.95Å; W169-K229 HydrophobicContact CH2-CB 3.93Å; W169-K229 HydrophobicContact CH2-CD 4.21Å; W169-K229 HydrophobicContact CH2-CG 3.95Å; W169-K229 HydrophobicContact CZ2-CB 3.94Å; W169-K229 HydrophobicContact CZ2-CD 4.05Å; W169-K229 HydrophobicContact CZ2-CG 4.17Å |
| 170 | F | 96.8 | Very high | 91.8 | Very high | 19 Ų | 19 | 36.6 Ų | 36.6 | 8% | 0.083 | 18% | 0.18 | C | C | . | . | B | Isolated β-bridge | trans | -150.6 | 140.3 | 170.9 | -170.3 | -97.2 | 0 | 0 | 0 | 111.5 | V42 P116 N119 V141 A142 G143 G198 L199 F200 N222 | V42-F170 HydrophobicContact CG2-CB 4.26Å; P116-F170 HydrophobicContact CB-CD1 4.31Å; P116-F170 HydrophobicContact CB-CD2 3.7Å; P116-F170 HydrophobicContact CB-CE1 4.2Å; P116-F170 HydrophobicContact CB-CE2 3.58Å; P116-F170 HydrophobicContact CB-CG 4.07Å; P116-F170 HydrophobicContact CB-CZ 3.83Å; P116-F170 HydrophobicContact CG-CD2 4.17Å; P116-F170 HydrophobicContact CG-CG 4.24Å; N119-F170 HydrophobicContact CB-CE1 4.21Å; N119-F170 HydrophobicContact CB-CZ 4.38Å; V141-F170 HydrophobicContact CB-CD1 4.22Å; V141-F170 HydrophobicContact CB-CE1 3.96Å; V141-F170 HydrophobicContact CG1-CD1 4.03Å; V141-F170 HydrophobicContact CG1-CE1 4.19Å; V141-F170 WeakPolarHBondContact O-CD1 3.41Å; V141-F170 WeakPolarHBondContact O-CE1 3.27Å; A142-F170 CarbonylContact C-O 3.51Å; A142-F170 VanDerWaalsContact CA-O 3.25Å; A142-F170 WeakPolarHBondContact CA-O 3.18Å; G143-F170 PolarHBondContact N-O 3.5Å; G143-F170 PolarHBondContact O-N 2.86Å; G143-F170 VanDerWaalsContact O-N 3.11Å; F170-G198 VanDerWaalsContact CD2-O 3.28Å; F170-G198 WeakPolarHBondContact CD2-O 3.48Å; F170-L199 HydrophobicContact CB-CD2 3.95Å; F170-F200 HydrophobicContact CD2-CD2 4.25Å; F170-F200 HydrophobicContact CD2-CE2 4.09Å; F170-F200 HydrophobicContact CE2-CE2 4.33Å; F170-N222 PolarHBondContact O-ND2 3Å |
| 171 | P | 95.4 | Very high | 92.3 | Very high | 33 Ų | 33 | 44.1 Ų | 44.1 | 21% | 0.214 | 20% | 0.204 | C | C | . | . | S | Bend | cis | -66.4 | -167 | -11.1 | 33.2 | -38 | 0 | 0 | 0 | 111.4 | P173 P223 V224 | P171-P173 WeakPolarHBondContact O-CD 3.27Å; P171-P173 VanDerWaalsContact O-N 3.11Å; P171-P223 HydrophobicContact CG-CG 4.15Å; P171-V224 HydrophobicContact CG-CG2 3.57Å |
| 172 | E | 96.6 | Very high | 92.3 | Very high | 93 Ų | 93 | 43.2 Ų | 43.2 | 44% | 0.435 | 21% | 0.21 | S | C | . | . | trans | -45.9 | 119.5 | 178.8 | -170.8 | -171.8 | 153.6 | 0 | 0 | 111.3 | R192 F200 | E172-R192 HydrophobicContact CG-CB 4.48Å; E172-R192 WeakPolarHBondContact OE1-CD 3.45Å; E172-R192 IonicContact OE1-CZ 3.37Å; E172-R192 IonicContact OE1-NE 3.19Å; E172-R192 IonicContact OE1-NH1 3.97Å; E172-R192 PolarHBondContact OE1-NH1 2.81Å; E172-F200 HydrophobicContact CB-CD1 4.17Å; E172-F200 HydrophobicContact CB-CD2 4.39Å; E172-F200 HydrophobicContact CB-CE1 3.82Å; E172-F200 HydrophobicContact CB-CE2 4.07Å; E172-F200 HydrophobicContact CB-CG 4.44Å; E172-F200 HydrophobicContact CB-CZ 3.77Å; E172-F200 HydrophobicContact CG-CD1 4.02Å; E172-F200 HydrophobicContact CG-CE1 3.86Å; E172-F200 HydrophobicContact CG-CZ 4.33Å | ||
| 173 | P | 96.9 | Very high | 92.3 | Very high | 1 Ų | 1 | 49.1 Ų | 49.1 | 1% | 0.006 | 24% | 0.238 | C | C | . | . | trans | -82.1 | 161 | -175.7 | 33.9 | -37.5 | 0 | 0 | 0 | 112.2 | W169 P171 F200 A202 V220 | W169-P173 HydrophobicContact CB-CB 3.92Å; W169-P173 HydrophobicContact CB-CG 3.71Å; W169-P173 HydrophobicContact CD2-CB 4.19Å; W169-P173 HydrophobicContact CE3-CB 4.12Å; W169-P173 HydrophobicContact CG-CB 4.11Å; W169-P173 HydrophobicContact CG-CG 4.11Å; P171-P173 WeakPolarHBondContact O-CD 3.27Å; P171-P173 VanDerWaalsContact O-N 3.11Å; P173-F200 HydrophobicContact CG-CB 4.32Å; P173-A202 HydrophobicContact CG-CB 3.96Å; P173-V220 HydrophobicContact CB-CG1 3.67Å; P173-V220 HydrophobicContact CG-CG1 4.27Å | ||
| 174 | Q | 95.8 | Very high | 92.2 | Very high | 95 Ų | 95 | 55.2 Ų | 55.2 | 44% | 0.444 | 26% | 0.264 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.4 | 123.5 | 170.6 | -65.8 | 173 | -17 | 0 | 0 | 109.3 | V220 H221 | Q174-V220 CarbonylContact O-C 3.53Å; Q174-V220 WeakPolarHBondContact O-CA 3.44Å; Q174-H221 HydrophobicContact CB-CB 4.27Å; Q174-H221 PolarHBondContact N-O 3.37Å; Q174-H221 PolarHBondContact O-N 3.41Å; Q174-H221 PolarHBondContact OE1-ND1 2.87Å |
| 175 | V | 95.3 | Very high | 91.9 | Very high | 10 Ų | 10 | 57.9 Ų | 57.9 | 6% | 0.061 | 28% | 0.277 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.3 | 133.9 | 177.3 | -172.2 | 0 | 0 | 0 | 0 | 109.4 | A202 A204 L219 V220 | V175-A202 HydrophobicContact CG2-CB 3.51Å; V175-A204 HydrophobicContact CB-CB 4.39Å; V175-A204 HydrophobicContact CG1-CB 3.66Å; V175-L219 WeakPolarHBondContact CA-O 3.45Å; V175-V220 HydrophobicContact CG1-CG2 4.39Å; V175-V220 HydrophobicContact CG2-CG1 4.21Å; V175-V220 HydrophobicContact CG2-CG2 4.16Å |
| 176 | Y | 93.9 | Very high | 91.7 | Very high | 39 Ų | 39 | 64.4 Ų | 64.4 | 15% | 0.153 | 31% | 0.311 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -149.2 | 157.5 | 174.3 | 47.8 | -87.8 | 0 | 0 | 0 | 111.4 | E178 L219 H221 E228 | Y176-E178 HydrophobicContact CD2-CG 4.11Å; Y176-E178 HydrophobicContact CE2-CG 4.46Å; Y176-E178 WeakPolarHBondContact CE2-OE1 3.35Å; Y176-L219 HydrophobicContact CD2-CB 4.04Å; Y176-L219 HydrophobicContact CD2-CD1 4Å; Y176-L219 HydrophobicContact CE2-CB 3.61Å; Y176-L219 HydrophobicContact CE2-CD1 3.82Å; Y176-L219 HydrophobicContact CE2-CD2 4.43Å; Y176-L219 HydrophobicContact CE2-CG 4.15Å; Y176-L219 PolarHBondContact N-O 3.39Å; Y176-L219 PolarHBondContact O-N 2.89Å; Y176-H221 HydrophobicContact CE1-CB 4Å; Y176-E228 PolarHBondContact OH-OE2 2.97Å |
| 177 | W | 94.2 | Very high | 91.4 | Very high | 0 Ų | 0 | 65.6 Ų | 65.6 | 0% | 0 | 32% | 0.32 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.4 | 144.7 | 176.3 | -69.3 | 92.7 | 0 | 0 | 0 | 110.4 | I150 L162 C164 K184 L185 A204 L206 V216 S217 C218 | I150-W177 HydrophobicContact CD1-CH2 4.39Å; I150-W177 HydrophobicContact CD1-CZ3 3.97Å; I150-W177 HydrophobicContact CG1-CH2 4.12Å; I150-W177 HydrophobicContact CG1-CZ3 4.21Å; I150-W177 HydrophobicContact CG2-CH2 3.85Å; I150-W177 HydrophobicContact CG2-CZ3 4.21Å; L162-W177 HydrophobicContact CB-CH2 3.83Å; L162-W177 HydrophobicContact CB-CZ2 4.39Å; L162-W177 HydrophobicContact CB-CZ3 4.38Å; C164-W177 HydrophobicContact CB-CH2 3.6Å; C164-W177 HydrophobicContact CB-CZ2 3.26Å; W177-K184 CarbonylContact O-C 3.5Å; W177-K184 WeakPolarHBondContact O-CA 3.34Å; W177-L185 HydrophobicContact CB-CB 3.84Å; W177-L185 PolarHBondContact O-N 3.15Å; W177-A204 WeakPolarHBondContact CZ2-O 3.25Å; W177-L206 HydrophobicContact CB-CD2 4.22Å; W177-L206 HydrophobicContact CD2-CB 3.85Å; W177-L206 HydrophobicContact CD2-CD2 3.86Å; W177-L206 HydrophobicContact CD2-CG 4.43Å; W177-L206 HydrophobicContact CE3-CB 4.39Å; W177-L206 HydrophobicContact CE3-CD2 3.79Å; W177-L206 HydrophobicContact CG-CB 4.09Å; W177-L206 HydrophobicContact CG-CD2 4.08Å; W177-L206 HydrophobicContact CG-CG 4.5Å; W177-L206 HydrophobicContact CZ2-CB 4.02Å; W177-L206 HydrophobicContact CZ3-CD2 4.38Å; W177-V216 HydrophobicContact CE3-CB 4.49Å; W177-V216 HydrophobicContact CE3-CG2 4.28Å; W177-V216 HydrophobicContact CZ3-CG2 4.03Å; W177-S217 CarbonylContact C-O 3.57Å; W177-S217 VanDerWaalsContact CA-O 3.3Å; W177-S217 WeakPolarHBondContact CA-O 3.45Å; W177-C218 HydrophobicContact CD2-CB 4.22Å; W177-C218 HydrophobicContact CE3-CB 3.89Å; W177-C218 HydrophobicContact CH2-CB 4.08Å; W177-C218 HydrophobicContact CZ2-CB 4.39Å; W177-C218 HydrophobicContact CZ3-CB 3.81Å |
| 178 | E | 92.1 | Very high | 91.1 | Very high | 42 Ų | 42 | 61.7 Ų | 61.7 | 20% | 0.196 | 32% | 0.317 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.1 | 146.2 | 175.2 | -68.8 | -176.2 | 172.4 | 0 | 0 | 111.3 | Y176 E183 K184 V216 S217 L219 | Y176-E178 HydrophobicContact CD2-CG 4.11Å; Y176-E178 HydrophobicContact CE2-CG 4.46Å; Y176-E178 WeakPolarHBondContact CE2-OE1 3.35Å; E178-E183 WeakPolarHBondContact CA-O 3.38Å; E178-K184 HydrophobicContact CG-CG 4.43Å; E178-V216 WeakPolarHBondContact O-CA 3.45Å; E178-S217 PolarHBondContact N-O 3.33Å; E178-S217 PolarHBondContact O-N 2.95Å; E178-L219 HydrophobicContact CB-CD1 3.93Å; E178-L219 HydrophobicContact CG-CD1 3.66Å; E178-L219 WeakPolarHBondContact OE2-CD1 3.2Å |
| 179 | D | 85.5 | Confident | 91 | Very high | 15 Ų | 15 | 62.3 Ų | 62.3 | 8% | 0.08 | 32% | 0.317 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -80.4 | 177.6 | 168.1 | 82.2 | -2.2 | 0 | 0 | 0 | 111.6 | R181 G182 E183 L185 | D179-R181 PolarHBondContact O-N 2.93Å; D179-R181 VanDerWaalsContact OD1-CA 3.29Å; D179-R181 WeakPolarHBondContact OD1-CA 3.42Å; D179-R181 VanDerWaalsContact OD1-CB 3.31Å; D179-R181 WeakPolarHBondContact OD1-CB 3.44Å; D179-R181 PolarHBondContact OD1-N 2.82Å; D179-R181 IonicContact OD2-CZ 2.76Å; D179-R181 IonicContact OD2-NE 2.74Å; D179-R181 PolarHBondContact OD2-NE 3.34Å; D179-R181 VanDerWaalsContact OD2-NE 3.14Å; D179-R181 IonicContact OD2-NH2 3.17Å; D179-R181 PolarHBondContact OD2-NH2 3.06Å; D179-G182 PolarHBondContact O-N 3.02Å; D179-G182 PolarHBondContact OD1-N 3.43Å; D179-G182 VanDerWaalsContact OD1-N 3.15Å; D179-E183 PolarHBondContact N-O 3Å; D179-E183 WeakPolarHBondContact OD1-CB 3.34Å; D179-E183 PolarHBondContact OD1-N 2.75Å; D179-L185 HydrophobicContact CB-CD1 4.19Å; D179-L185 HydrophobicContact CB-CD2 4.21Å; D179-L185 HydrophobicContact CB-CG 4.32Å |
| 180 | I | 82.6 | Confident | 90.7 | Very high | 85 Ų | 85 | 66.3 Ų | 66.3 | 44% | 0.436 | 34% | 0.336 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -59.7 | -17.1 | 178.7 | 71.3 | 179.9 | 0 | 0 | 0 | 114.6 | S215 | I180-S215 WeakPolarHBondContact CG2-O 3.49Å; I180-S215 WeakPolarHBondContact CG2-OG 3.4Å |
| 181 | R | 84.2 | Confident | 90.3 | Very high | 190 Ų | 190 | 70 Ų | 70 | 72% | 0.717 | 35% | 0.353 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -96.9 | -0.6 | 179.3 | -60.1 | 174.7 | -68.5 | -156.7 | -3 | 111.7 | D179 E183 | D179-R181 PolarHBondContact O-N 2.93Å; D179-R181 VanDerWaalsContact OD1-CA 3.29Å; D179-R181 WeakPolarHBondContact OD1-CA 3.42Å; D179-R181 VanDerWaalsContact OD1-CB 3.31Å; D179-R181 WeakPolarHBondContact OD1-CB 3.44Å; D179-R181 PolarHBondContact OD1-N 2.82Å; D179-R181 IonicContact OD2-CZ 2.76Å; D179-R181 IonicContact OD2-NE 2.74Å; D179-R181 PolarHBondContact OD2-NE 3.34Å; D179-R181 VanDerWaalsContact OD2-NE 3.14Å; D179-R181 IonicContact OD2-NH2 3.17Å; D179-R181 PolarHBondContact OD2-NH2 3.06Å; R181-E183 VanDerWaalsContact C-N 3.32Å; R181-E183 HydrophobicContact CB-CG 4.41Å |
| 182 | G | 84.8 | Confident | 90.2 | Very high | 39 Ų | 39 | 73.1 Ų | 73.1 | 40% | 0.402 | 36% | 0.361 | S | S | . | . | trans | 78.5 | 15 | -174.8 | 0 | 0 | 0 | 0 | 0 | 113.4 | D179 | D179-G182 PolarHBondContact O-N 3.02Å; D179-G182 PolarHBondContact OD1-N 3.43Å; D179-G182 VanDerWaalsContact OD1-N 3.15Å | ||
| 183 | E | 87.1 | Confident | 89.8 | Confident | 124 Ų | 124 | 73.5 Ų | 73.5 | 58% | 0.579 | 37% | 0.365 | S | S | * | . | P | Polyproline II helix | trans | -79 | 131.4 | 175.5 | -67.2 | -66.4 | 150.4 | 0 | 0 | 109.9 | E178 D179 R181 L185 | E178-E183 WeakPolarHBondContact CA-O 3.38Å; D179-E183 PolarHBondContact N-O 3Å; D179-E183 WeakPolarHBondContact OD1-CB 3.34Å; D179-E183 PolarHBondContact OD1-N 2.75Å; R181-E183 VanDerWaalsContact C-N 3.32Å; R181-E183 HydrophobicContact CB-CG 4.41Å; E183-L185 PolarHBondContact O-N 3.28Å |
| 184 | K | 89 | Confident | 89.6 | Confident | 141 Ų | 141 | 78.5 Ų | 78.5 | 61% | 0.613 | 39% | 0.388 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -68.2 | 126.8 | -178.5 | -67.1 | -166.9 | 175.9 | -163.5 | 0 | 111.3 | W177 E178 | W177-K184 CarbonylContact O-C 3.5Å; W177-K184 WeakPolarHBondContact O-CA 3.34Å; E178-K184 HydrophobicContact CG-CG 4.43Å |
| 185 | L | 88.3 | Confident | 89.2 | Confident | 56 Ų | 56 | 77.7 Ų | 77.7 | 29% | 0.293 | 39% | 0.387 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.9 | 144.5 | 176.4 | -58.9 | 176.4 | 0 | 0 | 0 | 110.3 | W177 D179 E183 A187 L206 V216 | W177-L185 HydrophobicContact CB-CB 3.84Å; W177-L185 PolarHBondContact O-N 3.15Å; D179-L185 HydrophobicContact CB-CD1 4.19Å; D179-L185 HydrophobicContact CB-CD2 4.21Å; D179-L185 HydrophobicContact CB-CG 4.32Å; E183-L185 PolarHBondContact O-N 3.28Å; L185-A187 PolarHBondContact O-N 3.31Å; L185-L206 HydrophobicContact CB-CD1 3.95Å; L185-L206 HydrophobicContact CD1-CD2 3.8Å; L185-V216 HydrophobicContact CD1-CB 4.45Å; L185-V216 HydrophobicContact CD1-CG1 3.85Å |
| 186 | L | 88.6 | Confident | 88.8 | Confident | 159 Ų | 159 | 86.9 Ų | 86.9 | 83% | 0.832 | 43% | 0.429 | S | S | * | . | P | Polyproline II helix | trans | -81.7 | 119.5 | 179 | -66.7 | 173.8 | 0 | 0 | 0 | 110.2 | L206 | L186-L206 WeakPolarHBondContact O-CD1 3.43Š|
| 187 | A | 89 | Confident | 88.4 | Confident | 27 Ų | 27 | 90.5 Ų | 90.5 | 22% | 0.223 | 45% | 0.451 | C | S | . | . | P | Polyproline II helix | trans | -68 | 145.6 | 167.9 | 0 | 0 | 0 | 0 | 0 | 110.5 | L185 E190 T205 | L185-A187 PolarHBondContact O-N 3.31Å; A187-E190 HydrophobicContact CB-CG 3.82Å; A187-T205 CarbonylContact C-O 3.55Å; A187-T205 VanDerWaalsContact CA-O 3.27Å; A187-T205 WeakPolarHBondContact CA-O 3.47Å; A187-T205 WeakPolarHBondContact CB-O 3.21Å |
| 188 | V | 87.9 | Confident | 88.2 | Confident | 102 Ų | 102 | 91.1 Ų | 91.1 | 62% | 0.618 | 46% | 0.457 | S | S | * | . | S | Bend | trans | -80.3 | -35.2 | 173.1 | 175.2 | 0 | 0 | 0 | 0 | 110.8 | T205 V207 | V188-T205 PolarHBondContact N-O 3.23Å; V188-V207 HydrophobicContact CG2-CB 4Å; V188-V207 HydrophobicContact CG2-CG2 3.7Å |
| 189 | S | 89.3 | Confident | 88.2 | Confident | 39 Ų | 39 | 90.7 Ų | 90.7 | 27% | 0.273 | 46% | 0.456 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -147.5 | 150.6 | 174.8 | 60.7 | 0 | 0 | 0 | 0 | 110.7 | A204 T205 | S189-A204 WeakPolarHBondContact O-CA 3.09Å; S189-T205 PolarHBondContact O-N 3.22Å; S189-T205 VanDerWaalsContact OG-CB 3.29Å; S189-T205 WeakPolarHBondContact OG-CB 3.43Å; S189-T205 PolarHBondContact OG-OG1 3.5Å |
| 190 | E | 91.9 | Very high | 88.7 | Confident | 84 Ų | 84 | 91.1 Ų | 91.1 | 39% | 0.393 | 46% | 0.457 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -139.7 | 130.4 | 174.1 | -67.2 | -179.6 | -157.8 | 0 | 0 | 109.4 | A187 R192 E203 A204 | A187-E190 HydrophobicContact CB-CG 3.82Å; E190-R192 IonicContact OE2-CZ 3.57Å; E190-R192 IonicContact OE2-NH2 3.5Å; E190-R192 PolarHBondContact OE2-NH2 3Å; E190-E203 CarbonylContact C-O 3.55Å; E190-E203 WeakPolarHBondContact CA-O 3.44Å; E190-A204 HydrophobicContact CG-CB 4.11Å |
| 191 | H | 88.1 | Confident | 89.2 | Confident | 95 Ų | 95 | 90.9 Ų | 90.9 | 44% | 0.44 | 45% | 0.451 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.6 | 137.2 | 178.6 | -61.4 | -58.8 | 0 | 0 | 0 | 110 | A202 E203 | H191-A202 WeakPolarHBondContact O-CA 3.15Å; H191-E203 HydrophobicContact CB-CB 4.42Å; H191-E203 IonicContact CD2-OE1 3.56Å; H191-E203 PolarHBondContact N-O 3.16Å; H191-E203 PolarHBondContact O-N 3.11Å |
| 192 | R | 93.6 | Very high | 89.7 | Confident | 100 Ų | 100 | 81.9 Ų | 81.9 | 38% | 0.377 | 42% | 0.417 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.9 | 113.9 | 178.7 | -62.2 | 163.6 | -157.9 | 168.5 | 2.6 | 107.1 | E172 E190 Y201 A202 | E172-R192 HydrophobicContact CG-CB 4.48Å; E172-R192 WeakPolarHBondContact OE1-CD 3.45Å; E172-R192 IonicContact OE1-CZ 3.37Å; E172-R192 IonicContact OE1-NE 3.19Å; E172-R192 IonicContact OE1-NH1 3.97Å; E172-R192 PolarHBondContact OE1-NH1 2.81Å; E190-R192 IonicContact OE2-CZ 3.57Å; E190-R192 IonicContact OE2-NH2 3.5Å; E190-R192 PolarHBondContact OE2-NH2 3Å; R192-Y201 CarbonylContact C-O 3.56Å; R192-Y201 WeakPolarHBondContact CA-O 3.49Å; R192-A202 HydrophobicContact CG-CB 4.47Å |
| 193 | I | 88.9 | Confident | 90.1 | Very high | 101 Ų | 101 | 82.6 Ų | 82.6 | 52% | 0.518 | 41% | 0.41 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.7 | 128.8 | -170.9 | -55.6 | 171.9 | 0 | 0 | 0 | 106.7 | F200 Y201 | I193-F200 WeakPolarHBondContact O-CA 3.33Å; I193-Y201 HydrophobicContact CD1-CD1 4.36Å; I193-Y201 PolarHBondContact N-O 2.79Å; I193-Y201 PolarHBondContact O-N 3.2Å |
| 194 | Q | 92.8 | Very high | 90.5 | Very high | 106 Ų | 106 | 76.7 Ų | 76.7 | 50% | 0.495 | 38% | 0.383 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.7 | 133.3 | 176.3 | -164 | 174.6 | 25.5 | 0 | 0 | 109.4 | G198 L199 F200 | Q194-G198 PolarHBondContact NE2-O 2.75Å; Q194-L199 CarbonylContact C-O 3.4Å; Q194-L199 WeakPolarHBondContact CA-O 3.45Å; Q194-F200 HydrophobicContact CB-CD1 4.25Å; Q194-F200 HydrophobicContact CB-CE1 3.99Å; Q194-F200 HydrophobicContact CB-CZ 4.25Å; Q194-F200 HydrophobicContact CG-CE1 4.32Å; Q194-F200 HydrophobicContact CG-CE2 4.23Å; Q194-F200 HydrophobicContact CG-CZ 4.11Å |
| 195 | D | 85.8 | Confident | 90.6 | Very high | 78 Ų | 78 | 70.4 Ų | 70.4 | 42% | 0.417 | 36% | 0.356 | S | S | . | . | trans | -84.9 | 179.7 | 175.4 | 64.9 | 25.1 | 0 | 0 | 0 | 112.6 | D197 G198 L199 | D195-D197 PolarHBondContact O-N 3.2Å; D195-D197 WeakPolarHBondContact OD1-CA 3.46Å; D195-D197 PolarHBondContact OD1-N 2.87Å; D195-D197 VanDerWaalsContact OD1-N 3.07Å; D195-G198 PolarHBondContact O-N 3.13Å; D195-G198 VanDerWaalsContact O-N 3.09Å; D195-G198 PolarHBondContact OD1-N 3.07Å; D195-L199 PolarHBondContact N-O 3.03Å; D195-L199 PolarHBondContact OD1-N 3.08Å | ||
| 196 | E | 87.8 | Confident | 90.7 | Very high | 203 Ų | 203 | 68.1 Ų | 68.1 | 95% | 0.949 | 34% | 0.344 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -64.1 | -27.3 | -179.2 | -63.7 | -172.4 | 161.1 | 0 | 0 | 113 | G198 | E196-G198 PolarHBondContact O-N 3.14Š|
| 197 | D | 85.9 | Confident | 90.4 | Very high | 115 Ų | 115 | 62.1 Ų | 62.1 | 62% | 0.615 | 31% | 0.314 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -82.6 | -4.2 | 177.1 | -63.7 | -38.9 | 0 | 0 | 0 | 112.1 | P116 D195 | P116-D197 VanDerWaalsContact CG-O 3.3Å; P116-D197 WeakPolarHBondContact CG-O 3.39Å; D195-D197 PolarHBondContact O-N 3.2Å; D195-D197 WeakPolarHBondContact OD1-CA 3.46Å; D195-D197 PolarHBondContact OD1-N 2.87Å; D195-D197 VanDerWaalsContact OD1-N 3.07Å |
| 198 | G | 88.6 | Confident | 89.9 | Confident | 12 Ų | 12 | 62 Ų | 62 | 12% | 0.124 | 31% | 0.31 | C | S | . | . | S | Bend | trans | 84.8 | 9.2 | 179.6 | 0 | 0 | 0 | 0 | 0 | 114.2 | F170 Q194 D195 E196 | F170-G198 VanDerWaalsContact CD2-O 3.28Å; F170-G198 WeakPolarHBondContact CD2-O 3.48Å; Q194-G198 PolarHBondContact NE2-O 2.75Å; D195-G198 PolarHBondContact O-N 3.13Å; D195-G198 VanDerWaalsContact O-N 3.09Å; D195-G198 PolarHBondContact OD1-N 3.07Å; E196-G198 PolarHBondContact O-N 3.14Å |
| 199 | L | 92.9 | Very high | 88.9 | Confident | 33 Ų | 33 | 66.2 Ų | 66.2 | 17% | 0.173 | 32% | 0.315 | C | S | . | . | P | Polyproline II helix | trans | -88.1 | 152.2 | 176.7 | -61.3 | 173.6 | 0 | 0 | 0 | 111.1 | V42 P116 F170 Q194 D195 | V42-L199 HydrophobicContact CG1-CD2 4.33Å; V42-L199 HydrophobicContact CG2-CD2 4.28Å; P116-L199 HydrophobicContact CG-CD2 3.7Å; P116-L199 HydrophobicContact CG-CG 4.2Å; F170-L199 HydrophobicContact CB-CD2 3.95Å; Q194-L199 CarbonylContact C-O 3.4Å; Q194-L199 WeakPolarHBondContact CA-O 3.45Å; D195-L199 PolarHBondContact N-O 3.03Å; D195-L199 PolarHBondContact OD1-N 3.08Å |
| 200 | F | 95.1 | Very high | 87.2 | Confident | 24 Ų | 24 | 70.3 Ų | 70.3 | 11% | 0.105 | 33% | 0.334 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.7 | 130.6 | -177.8 | -71.7 | -94 | 0 | 0 | 0 | 112.2 | R167 G168 W169 F170 E172 P173 I193 Q194 | R167-F200 CarbonylContact C-O 3.58Å; G168-F200 PolarHBondContact N-O 2.82Å; G168-F200 VanDerWaalsContact N-O 3.09Å; W169-F200 HydrophobicContact CB-CB 4.44Å; W169-F200 PolarHBondContact N-O 2.89Å; W169-F200 WeakPolarHBondContact O-CB 3.3Å; W169-F200 WeakPolarHBondContact O-CD2 3.43Å; W169-F200 PolarHBondContact O-N 3.16Å; F170-F200 HydrophobicContact CD2-CD2 4.25Å; F170-F200 HydrophobicContact CD2-CE2 4.09Å; F170-F200 HydrophobicContact CE2-CE2 4.33Å; E172-F200 HydrophobicContact CB-CD1 4.17Å; E172-F200 HydrophobicContact CB-CD2 4.39Å; E172-F200 HydrophobicContact CB-CE1 3.82Å; E172-F200 HydrophobicContact CB-CE2 4.07Å; E172-F200 HydrophobicContact CB-CG 4.44Å; E172-F200 HydrophobicContact CB-CZ 3.77Å; E172-F200 HydrophobicContact CG-CD1 4.02Å; E172-F200 HydrophobicContact CG-CE1 3.86Å; E172-F200 HydrophobicContact CG-CZ 4.33Å; P173-F200 HydrophobicContact CG-CB 4.32Å; I193-F200 WeakPolarHBondContact O-CA 3.33Å; Q194-F200 HydrophobicContact CB-CD1 4.25Å; Q194-F200 HydrophobicContact CB-CE1 3.99Å; Q194-F200 HydrophobicContact CB-CZ 4.25Å; Q194-F200 HydrophobicContact CG-CE1 4.32Å; Q194-F200 HydrophobicContact CG-CE2 4.23Å; Q194-F200 HydrophobicContact CG-CZ 4.11Å |
| 201 | Y | 93.9 | Very high | 85.2 | Confident | 80 Ų | 80 | 70 Ų | 70 | 31% | 0.314 | 35% | 0.346 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.4 | 129.4 | 155.7 | 173.9 | -97.1 | 0 | 0 | 0 | 108.8 | T165 A166 R167 R192 I193 E203 | T165-Y201 HydrophobicContact CG2-CE2 4.43Å; T165-Y201 WeakPolarHBondContact CG2-OH 3.44Å; A166-Y201 CarbonylContact O-C 3.51Å; A166-Y201 WeakPolarHBondContact O-CA 3.13Å; R167-Y201 HydrophobicContact CB-CD2 4.32Å; R192-Y201 CarbonylContact C-O 3.56Å; R192-Y201 WeakPolarHBondContact CA-O 3.49Å; I193-Y201 HydrophobicContact CD1-CD1 4.36Å; I193-Y201 PolarHBondContact N-O 2.79Å; I193-Y201 PolarHBondContact O-N 3.2Å; Y201-E203 HydrophobicContact CE1-CB 3.69Å; Y201-E203 PolarHBondContact OH-OE2 3.22Å |
| 202 | A | 94.1 | Very high | 83.3 | Confident | 1 Ų | 1 | 69.8 Ų | 69.8 | 1% | 0.008 | 36% | 0.355 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.9 | 135.9 | 177.5 | 0 | 0 | 0 | 0 | 0 | 110.1 | T165 A166 P173 V175 H191 R192 | T165-A202 CarbonylContact C-O 3.51Å; T165-A202 WeakPolarHBondContact CA-O 3.24Å; A166-A202 PolarHBondContact N-O 2.82Å; A166-A202 PolarHBondContact O-N 2.76Å; P173-A202 HydrophobicContact CG-CB 3.96Å; V175-A202 HydrophobicContact CG2-CB 3.51Å; H191-A202 WeakPolarHBondContact O-CA 3.15Å; R192-A202 HydrophobicContact CG-CB 4.47Å |
| 203 | E | 94 | Very high | 81.5 | Confident | 55 Ų | 55 | 65.8 Ų | 65.8 | 26% | 0.257 | 34% | 0.343 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.8 | 132.9 | 179.6 | 179.1 | 178.9 | 101.3 | 0 | 0 | 109.4 | V163 C164 T165 E190 H191 Y201 | V163-E203 HydrophobicContact CG1-CG 3.93Å; C164-E203 CarbonylContact O-C 3.58Å; C164-E203 VanDerWaalsContact O-CA 3.24Å; C164-E203 WeakPolarHBondContact O-CA 3.35Å; T165-E203 HydrophobicContact CG2-CG 4.21Å; E190-E203 CarbonylContact C-O 3.55Å; E190-E203 WeakPolarHBondContact CA-O 3.44Å; H191-E203 HydrophobicContact CB-CB 4.42Å; H191-E203 IonicContact CD2-OE1 3.56Å; H191-E203 PolarHBondContact N-O 3.16Å; H191-E203 PolarHBondContact O-N 3.11Å; Y201-E203 HydrophobicContact CE1-CB 3.69Å; Y201-E203 PolarHBondContact OH-OE2 3.22Å |
| 204 | A | 94.5 | Very high | 80.5 | Confident | 0 Ų | 0 | 67.8 Ų | 67.8 | 0% | 0 | 35% | 0.35 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.9 | 134.5 | 176.9 | 0 | 0 | 0 | 0 | 0 | 110.3 | C164 V175 W177 S189 E190 | C164-A204 PolarHBondContact N-O 2.95Å; C164-A204 PolarHBondContact O-N 3.14Å; V175-A204 HydrophobicContact CB-CB 4.39Å; V175-A204 HydrophobicContact CG1-CB 3.66Å; W177-A204 WeakPolarHBondContact CZ2-O 3.25Å; S189-A204 WeakPolarHBondContact O-CA 3.09Å; E190-A204 HydrophobicContact CG-CB 4.11Å |
| 205 | T | 91.8 | Very high | 79.9 | Confident | 8 Ų | 8 | 64 Ų | 64 | 5% | 0.049 | 34% | 0.335 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111 | 131.6 | -178.2 | -59.1 | 0 | 0 | 0 | 0 | 110.9 | Q161 L162 V163 A187 V188 S189 | Q161-T205 HydrophobicContact CG-CG2 3.46Å; Q161-T205 VanDerWaalsContact CG-CG2 3.46Å; L162-T205 CarbonylContact O-C 3.54Å; L162-T205 WeakPolarHBondContact O-CA 3.49Å; V163-T205 HydrophobicContact CG2-CG2 4.39Å; A187-T205 CarbonylContact C-O 3.55Å; A187-T205 VanDerWaalsContact CA-O 3.27Å; A187-T205 WeakPolarHBondContact CA-O 3.47Å; A187-T205 WeakPolarHBondContact CB-O 3.21Å; V188-T205 PolarHBondContact N-O 3.23Å; S189-T205 PolarHBondContact O-N 3.22Å; S189-T205 VanDerWaalsContact OG-CB 3.29Å; S189-T205 WeakPolarHBondContact OG-CB 3.43Å; S189-T205 PolarHBondContact OG-OG1 3.5Å |
| 206 | L | 89.5 | Confident | 80.1 | Confident | 9 Ų | 9 | 60.3 Ų | 60.3 | 5% | 0.047 | 32% | 0.316 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.2 | 137.2 | 175.6 | 176.5 | 68.2 | 0 | 0 | 0 | 110 | Q161 L162 W177 L185 L186 V208 V216 | Q161-L206 WeakPolarHBondContact CA-O 3.34Å; L162-L206 HydrophobicContact CB-CB 4.46Å; L162-L206 HydrophobicContact CD1-CD2 4.48Å; L162-L206 PolarHBondContact N-O 3.09Å; L162-L206 PolarHBondContact O-N 2.03Å; W177-L206 HydrophobicContact CB-CD2 4.22Å; W177-L206 HydrophobicContact CD2-CB 3.85Å; W177-L206 HydrophobicContact CD2-CD2 3.86Å; W177-L206 HydrophobicContact CD2-CG 4.43Å; W177-L206 HydrophobicContact CE3-CB 4.39Å; W177-L206 HydrophobicContact CE3-CD2 3.79Å; W177-L206 HydrophobicContact CG-CB 4.09Å; W177-L206 HydrophobicContact CG-CD2 4.08Å; W177-L206 HydrophobicContact CG-CG 4.5Å; W177-L206 HydrophobicContact CZ2-CB 4.02Å; W177-L206 HydrophobicContact CZ3-CD2 4.38Å; L185-L206 HydrophobicContact CB-CD1 3.95Å; L185-L206 HydrophobicContact CD1-CD2 3.8Å; L186-L206 WeakPolarHBondContact O-CD1 3.43Å; L206-V208 HydrophobicContact CD2-CG2 3.96Å; L206-V208 HydrophobicContact CG-CG2 4.11Å; L206-V216 HydrophobicContact CD2-CB 4.42Å; L206-V216 HydrophobicContact CD2-CG1 4.32Å; L206-V216 HydrophobicContact CD2-CG2 4.38Å |
| 207 | V | 83.8 | Confident | 80.3 | Confident | 33 Ų | 33 | 51.8 Ų | 51.8 | 20% | 0.2 | 28% | 0.278 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.9 | 115 | 171.7 | 175.4 | 0 | 0 | 0 | 0 | 109.8 | V160 V188 R209 | V160-V207 CarbonylContact O-C 3.51Å; V160-V207 WeakPolarHBondContact O-CA 3.41Å; V188-V207 HydrophobicContact CG2-CB 4Å; V188-V207 HydrophobicContact CG2-CG2 3.7Å; V207-R209 HydrophobicContact CG1-CG 4.11Å |
| 208 | V | 77.4 | Confident | 80.8 | Confident | 23 Ų | 23 | 46.3 Ų | 46.3 | 14% | 0.139 | 25% | 0.249 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -94.9 | 111.9 | 179.5 | -174.3 | 0 | 0 | 0 | 0 | 109.1 | G159 V160 L162 L206 L235 | G159-V208 WeakPolarHBondContact CA-O 3.49Å; V160-V208 PolarHBondContact N-O 2.75Å; V160-V208 PolarHBondContact O-N 2.89Å; L162-V208 HydrophobicContact CD1-CG2 3.73Å; L162-V208 HydrophobicContact CG-CG2 4.36Å; L206-V208 HydrophobicContact CD2-CG2 3.96Å; L206-V208 HydrophobicContact CG-CG2 4.11Å; V208-L235 HydrophobicContact CG1-CD1 3.99Å; V208-L235 HydrophobicContact CG2-CD1 4.49Å |
| 209 | R | 66.6 | Low | 81.1 | Confident | 192 Ų | 192 | 46.5 Ų | 46.5 | 73% | 0.725 | 25% | 0.247 | S | C | * | . | trans | -99.4 | -19.5 | -177.3 | -56 | -161.9 | 169.1 | 151.9 | -1.9 | 114.7 | S158 V207 | S158-R209 WeakPolarHBondContact O-CD 3.36Å; S158-R209 VanDerWaalsContact O-CG 3.26Å; S158-R209 WeakPolarHBondContact O-CG 3.3Å; V207-R209 HydrophobicContact CG1-CG 4.11Å | ||
| 210 | N | 55.1 | Low | 81.3 | Confident | 125 Ų | 125 | 45 Ų | 45 | 67% | 0.668 | 24% | 0.239 | S | C | * | . | S | Bend | trans | -133.8 | 127.5 | -172.7 | -141.4 | 1.3 | 0 | 0 | 0 | 109 | S212 | N210-S212 PolarHBondContact O-N 2.97Š|
| 211 | A | 49.1 | Very low | 81.4 | Confident | 78 Ų | 78 | 45.6 Ų | 45.6 | 65% | 0.645 | 24% | 0.243 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -69.3 | 13.6 | -173.5 | 0 | 0 | 0 | 0 | 0 | 114.7 | A213 | A211-A213 VanDerWaalsContact C-N 3.29Å; A211-A213 PolarHBondContact O-N 2.91Å |
| 212 | S | 48.9 | Very low | 81.5 | Confident | 89 Ų | 89 | 41.9 Ų | 41.9 | 62% | 0.622 | 23% | 0.228 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -78.1 | -12 | 179.5 | 57.5 | 0 | 0 | 0 | 0 | 113.9 | N210 E214 | N210-S212 PolarHBondContact O-N 2.97Å; S212-E214 PolarHBondContact O-N 2.77Å |
| 213 | A | 55.6 | Low | 81.5 | Confident | 16 Ų | 16 | 44.3 Ų | 44.3 | 13% | 0.132 | 24% | 0.244 | C | C | . | . | trans | -91.7 | 89.8 | 171.9 | 0 | 0 | 0 | 0 | 0 | 108.6 | A211 S215 V216 | A211-A213 VanDerWaalsContact C-N 3.29Å; A211-A213 PolarHBondContact O-N 2.91Å; A213-S215 PolarHBondContact O-N 3.05Å; A213-V216 HydrophobicContact CB-CG1 3.8Å | ||
| 214 | E | 66.9 | Low | 81.5 | Confident | 144 Ų | 144 | 44 Ų | 44 | 67% | 0.673 | 25% | 0.246 | S | C | * | . | S | Bend | trans | -58.3 | -33.2 | 177.8 | -68.7 | 177.7 | 177 | 0 | 0 | 111.9 | S212 L235 | S212-E214 PolarHBondContact O-N 2.77Å; E214-L235 PolarHBondContact O-N 2.88Å |
| 215 | S | 80.8 | Confident | 81.5 | Confident | 26 Ų | 26 | 45.8 Ų | 45.8 | 18% | 0.182 | 26% | 0.255 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -142.6 | 154.9 | 167.2 | 62.5 | 0 | 0 | 0 | 0 | 111.1 | I180 A213 I233 | I180-S215 WeakPolarHBondContact CG2-O 3.49Å; I180-S215 WeakPolarHBondContact CG2-OG 3.4Å; A213-S215 PolarHBondContact O-N 3.05Å; S215-I233 WeakPolarHBondContact CA-O 3.24Å; S215-I233 VanDerWaalsContact CB-O 3.29Å; S215-I233 WeakPolarHBondContact CB-O 3.47Å |
| 216 | V | 88.9 | Confident | 81.5 | Confident | 0 Ų | 0 | 50.8 Ų | 50.8 | 0% | 0 | 29% | 0.285 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.3 | 147 | 170.7 | -63.4 | 0 | 0 | 0 | 0 | 109.6 | L162 W177 E178 L185 L206 A213 V232 I233 | L162-V216 HydrophobicContact CD1-CG2 3.35Å; W177-V216 HydrophobicContact CE3-CB 4.49Å; W177-V216 HydrophobicContact CE3-CG2 4.28Å; W177-V216 HydrophobicContact CZ3-CG2 4.03Å; E178-V216 WeakPolarHBondContact O-CA 3.45Å; L185-V216 HydrophobicContact CD1-CB 4.45Å; L185-V216 HydrophobicContact CD1-CG1 3.85Å; L206-V216 HydrophobicContact CD2-CB 4.42Å; L206-V216 HydrophobicContact CD2-CG1 4.32Å; L206-V216 HydrophobicContact CD2-CG2 4.38Å; A213-V216 HydrophobicContact CB-CG1 3.8Å; V216-V232 WeakPolarHBondContact O-CA 3.27Å; V216-I233 HydrophobicContact CG2-CG2 3.49Å; V216-I233 VanDerWaalsContact CG2-CG2 3.49Å; V216-I233 PolarHBondContact N-O 3.04Å; V216-I233 PolarHBondContact O-N 3.21Å |
| 217 | S | 93.2 | Very high | 81.7 | Confident | 24 Ų | 24 | 55.2 Ų | 55.2 | 17% | 0.168 | 31% | 0.306 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.3 | 134.3 | -178.8 | -55.5 | 0 | 0 | 0 | 0 | 109.3 | W177 E178 S231 | W177-S217 CarbonylContact C-O 3.57Å; W177-S217 VanDerWaalsContact CA-O 3.3Å; W177-S217 WeakPolarHBondContact CA-O 3.45Å; E178-S217 PolarHBondContact N-O 3.33Å; E178-S217 PolarHBondContact O-N 2.95Å; S217-S231 CarbonylContact C-O 3.56Å; S217-S231 VanDerWaalsContact CA-O 3.24Å; S217-S231 WeakPolarHBondContact CA-O 3.5Å |
| 218 | C | 95.6 | Very high | 82.3 | Confident | 0 Ų | 0 | 58.6 Ų | 58.6 | 0% | 0 | 32% | 0.32 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.6 | 128.1 | 164 | 179.2 | 0 | 0 | 0 | 0 | 108.6 | P148 I150 C164 W177 G230 S231 | P148-C218 WeakPolarHBondContact CG-O 3.45Å; I150-C218 HydrophobicContact CD1-CB 3.87Å; I150-C218 HydrophobicContact CG1-CB 3.92Å; C164-C218 HydrophobicContact CB-CB 3.57Å; C164-C218 WeakPolarHBondContact CB-SG 3.29Å; C164-C218 WeakPolarHBondContact SG-CB 3.12Å; C164-C218 CovalentContact SG-SG 2.02Å; C164-C218 PolarHBondContact SG-SG 2.82Å; W177-C218 HydrophobicContact CD2-CB 4.22Å; W177-C218 HydrophobicContact CE3-CB 3.89Å; W177-C218 HydrophobicContact CH2-CB 4.08Å; W177-C218 HydrophobicContact CZ2-CB 4.39Å; W177-C218 HydrophobicContact CZ3-CB 3.81Å; C218-G230 CarbonylContact O-C 3.47Å; C218-G230 VanDerWaalsContact O-CA 3.24Å; C218-G230 WeakPolarHBondContact O-CA 3.31Å; C218-S231 PolarHBondContact N-O 3.37Å; C218-S231 PolarHBondContact O-N 2.68Å |
| 219 | L | 96.3 | Very high | 83.1 | Confident | 16 Ų | 16 | 61 Ų | 61 | 8% | 0.084 | 33% | 0.328 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.9 | 137.9 | 179.2 | -59.7 | 106 | 0 | 0 | 0 | 110.5 | V175 Y176 E178 | V175-L219 WeakPolarHBondContact CA-O 3.45Å; Y176-L219 HydrophobicContact CD2-CB 4.04Å; Y176-L219 HydrophobicContact CD2-CD1 4Å; Y176-L219 HydrophobicContact CE2-CB 3.61Å; Y176-L219 HydrophobicContact CE2-CD1 3.82Å; Y176-L219 HydrophobicContact CE2-CD2 4.43Å; Y176-L219 HydrophobicContact CE2-CG 4.15Å; Y176-L219 PolarHBondContact N-O 3.39Å; Y176-L219 PolarHBondContact O-N 2.89Å; E178-L219 HydrophobicContact CB-CD1 3.93Å; E178-L219 HydrophobicContact CG-CD1 3.66Å; E178-L219 WeakPolarHBondContact OE2-CD1 3.2Å |
| 220 | V | 97.3 | Very high | 84.5 | Confident | 1 Ų | 1 | 54 Ų | 54 | 1% | 0.006 | 32% | 0.316 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.3 | 117.2 | 175.6 | -172.1 | 0 | 0 | 0 | 0 | 108.3 | P148 A166 W169 P173 Q174 V175 E228 K229 | P148-V220 HydrophobicContact CB-CG2 3.91Å; P148-V220 HydrophobicContact CG-CG2 4.05Å; A166-V220 HydrophobicContact CB-CG2 3.82Å; W169-V220 HydrophobicContact CD2-CG1 3.59Å; W169-V220 HydrophobicContact CE3-CG1 3.87Å; W169-V220 HydrophobicContact CG-CG1 4.19Å; W169-V220 HydrophobicContact CH2-CB 3.89Å; W169-V220 HydrophobicContact CH2-CG1 3.82Å; W169-V220 WeakPolarHBondContact CH2-O 3.46Å; W169-V220 HydrophobicContact CZ2-CB 3.63Å; W169-V220 HydrophobicContact CZ2-CG1 3.54Å; W169-V220 HydrophobicContact CZ3-CB 4.46Å; W169-V220 HydrophobicContact CZ3-CG1 3.97Å; P173-V220 HydrophobicContact CB-CG1 3.67Å; P173-V220 HydrophobicContact CG-CG1 4.27Å; Q174-V220 CarbonylContact O-C 3.53Å; Q174-V220 WeakPolarHBondContact O-CA 3.44Å; V175-V220 HydrophobicContact CG1-CG2 4.39Å; V175-V220 HydrophobicContact CG2-CG1 4.21Å; V175-V220 HydrophobicContact CG2-CG2 4.16Å; V220-E228 CarbonylContact O-C 3.49Å; V220-E228 WeakPolarHBondContact O-CA 2.98Å; V220-E228 WeakPolarHBondContact O-CB 3.37Å; V220-K229 PolarHBondContact N-O 3.49Å; V220-K229 PolarHBondContact O-N 3.47Å |
| 221 | H | 96.5 | Very high | 86.3 | Confident | 38 Ų | 38 | 49.6 Ų | 49.6 | 18% | 0.176 | 30% | 0.295 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.2 | 131.8 | -174.1 | 169.9 | -109.8 | 0 | 0 | 0 | 111.7 | Q174 Y176 E228 | Q174-H221 HydrophobicContact CB-CB 4.27Å; Q174-H221 PolarHBondContact N-O 3.37Å; Q174-H221 PolarHBondContact O-N 3.41Å; Q174-H221 PolarHBondContact OE1-ND1 2.87Å; Y176-H221 HydrophobicContact CE1-CB 4Å; H221-E228 HydrophobicContact CB-CB 4.19Å |
| 222 | N | 96.6 | Very high | 88.3 | Confident | 1 Ų | 1 | 50.1 Ų | 50.1 | 1% | 0.005 | 29% | 0.29 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.9 | 114.5 | 172.8 | -172.2 | -54.2 | 0 | 0 | 0 | 110 | G143 L144 W169 F170 V224 L225 T226 E227 | G143-N222 PolarHBondContact O-ND2 3.01Å; G143-N222 VanDerWaalsContact O-ND2 3.15Å; L144-N222 HydrophobicContact CD2-CB 4.1Å; W169-N222 HydrophobicContact CE3-CB 4.2Å; W169-N222 HydrophobicContact CZ3-CB 3.95Å; F170-N222 PolarHBondContact O-ND2 3Å; N222-V224 VanDerWaalsContact C-N 3.26Å; N222-V224 PolarHBondContact O-N 2.86Å; N222-V224 PolarHBondContact OD1-N 3.04Å; N222-L225 HydrophobicContact CB-CB 4.21Å; N222-L225 PolarHBondContact OD1-N 2.83Å; N222-T226 VanDerWaalsContact O-CA 3.3Å; N222-T226 WeakPolarHBondContact O-CA 3.38Å; N222-T226 PolarHBondContact O-N 2.98Å; N222-E227 PolarHBondContact N-O 3.3Å |
| 223 | P | 94.1 | Very high | 89.9 | Confident | 53 Ų | 53 | 47.5 Ų | 47.5 | 34% | 0.344 | 27% | 0.269 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -72.3 | -15.3 | -174.4 | 30.1 | -36.4 | 0 | 0 | 0 | 114.4 | P171 | P171-P223 HydrophobicContact CG-CG 4.15Š|
| 224 | V | 93.9 | Very high | 91 | Very high | 49 Ų | 49 | 50.7 Ų | 50.7 | 30% | 0.297 | 29% | 0.29 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -92.7 | -44.2 | 179.9 | 176.6 | 0 | 0 | 0 | 0 | 110.9 | L39 K140 A142 P171 N222 T226 | L39-V224 HydrophobicContact CD1-CG1 3.7Å; K140-V224 HydrophobicContact CB-CG1 4.44Å; K140-V224 HydrophobicContact CD-CG1 4.48Å; A142-V224 HydrophobicContact CB-CB 4.02Å; A142-V224 HydrophobicContact CB-CG1 3.95Å; P171-V224 HydrophobicContact CG-CG2 3.57Å; N222-V224 VanDerWaalsContact C-N 3.26Å; N222-V224 PolarHBondContact O-N 2.86Å; N222-V224 PolarHBondContact OD1-N 3.04Å; V224-T226 VanDerWaalsContact C-N 3.34Å |
| 225 | L | 93.6 | Very high | 91 | Very high | 36 Ų | 36 | 44.5 Ų | 44.5 | 19% | 0.188 | 26% | 0.261 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -80.9 | -17.9 | 177.5 | -61.8 | 175.5 | 0 | 0 | 0 | 112.3 | L39 A142 L144 N222 E227 | L39-L225 HydrophobicContact CD1-CD2 3.97Å; L39-L225 HydrophobicContact CD2-CD2 3.73Å; L39-L225 HydrophobicContact CG-CD2 4.22Å; A142-L225 HydrophobicContact CB-CD1 3.84Å; A142-L225 HydrophobicContact CB-CD2 3.85Å; A142-L225 HydrophobicContact CB-CG 3.56Å; L144-L225 HydrophobicContact CD1-CD1 4.26Å; L144-L225 HydrophobicContact CD2-CD1 3.66Å; L144-L225 HydrophobicContact CG-CD1 3.57Å; N222-L225 HydrophobicContact CB-CB 4.21Å; N222-L225 PolarHBondContact OD1-N 2.83Å; L225-E227 HydrophobicContact CB-CB 4.16Å; L225-E227 HydrophobicContact CB-CG 4.23Å; L225-E227 PolarHBondContact O-N 3.43Å |
| 226 | T | 92.4 | Very high | 89.9 | Confident | 113 Ų | 113 | 45.9 Ų | 45.9 | 69% | 0.693 | 27% | 0.269 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 54.6 | 33.4 | -171.9 | 59.4 | 0 | 0 | 0 | 0 | 112.4 | N222 V224 | N222-T226 VanDerWaalsContact O-CA 3.3Å; N222-T226 WeakPolarHBondContact O-CA 3.38Å; N222-T226 PolarHBondContact O-N 2.98Å; V224-T226 VanDerWaalsContact C-N 3.34Å |
| 227 | E | 94.2 | Very high | 88.1 | Confident | 102 Ų | 102 | 54 Ų | 54 | 48% | 0.477 | 31% | 0.308 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.9 | 146.7 | 179.4 | -74.8 | -172.8 | -136.1 | 0 | 0 | 109.4 | L144 N222 L225 | L144-E227 VanDerWaalsContact CD1-OE2 3.23Å; L144-E227 WeakPolarHBondContact CD1-OE2 3.37Å; L144-E227 HydrophobicContact CD2-CB 3.95Å; N222-E227 PolarHBondContact N-O 3.3Å; L225-E227 HydrophobicContact CB-CB 4.16Å; L225-E227 HydrophobicContact CB-CG 4.23Å; L225-E227 PolarHBondContact O-N 3.43Å |
| 228 | E | 94.9 | Very high | 85.8 | Confident | 105 Ų | 105 | 60.9 Ų | 60.9 | 49% | 0.491 | 33% | 0.334 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.7 | 152.4 | 178.2 | 65.8 | -178.1 | -171.2 | 0 | 0 | 111.6 | Y176 V220 H221 | Y176-E228 PolarHBondContact OH-OE2 2.97Å; V220-E228 CarbonylContact O-C 3.49Å; V220-E228 WeakPolarHBondContact O-CA 2.98Å; V220-E228 WeakPolarHBondContact O-CB 3.37Å; H221-E228 HydrophobicContact CB-CB 4.19Å |
| 229 | K | 95.4 | Very high | 83.5 | Confident | 72 Ų | 72 | 62.4 Ų | 62.4 | 31% | 0.313 | 34% | 0.343 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.3 | 128.9 | 167.4 | -66.7 | -176.6 | 179.9 | 175.5 | 0 | 108.5 | G145 P148 W169 V220 | G145-K229 PolarHBondContact O-NZ 2.9Å; P148-K229 WeakPolarHBondContact CD-O 3.35Å; P148-K229 WeakPolarHBondContact CG-O 3.4Å; W169-K229 HydrophobicContact CH2-CB 3.93Å; W169-K229 HydrophobicContact CH2-CD 4.21Å; W169-K229 HydrophobicContact CH2-CG 3.95Å; W169-K229 HydrophobicContact CZ2-CB 3.94Å; W169-K229 HydrophobicContact CZ2-CD 4.05Å; W169-K229 HydrophobicContact CZ2-CG 4.17Å; V220-K229 PolarHBondContact N-O 3.49Å; V220-K229 PolarHBondContact O-N 3.47Å |
| 230 | G | 94.7 | Very high | 81.1 | Confident | 45 Ų | 45 | 64.7 Ų | 64.7 | 46% | 0.464 | 35% | 0.353 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.7 | 157.8 | 178.6 | 0 | 0 | 0 | 0 | 0 | 112.4 | C218 | C218-G230 CarbonylContact O-C 3.47Å; C218-G230 VanDerWaalsContact O-CA 3.24Å; C218-G230 WeakPolarHBondContact O-CA 3.31Å |
| 231 | S | 92.8 | Very high | 78.8 | Confident | 34 Ų | 34 | 69.1 Ų | 69.1 | 24% | 0.238 | 38% | 0.38 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.4 | 146.3 | 165.4 | -174.9 | 0 | 0 | 0 | 0 | 108.4 | P148 I150 S217 C218 | P148-S231 WeakPolarHBondContact O-CB 3.37Å; P148-S231 PolarHBondContact O-OG 3.34Å; I150-S231 VanDerWaalsContact CD1-O 3.27Å; I150-S231 WeakPolarHBondContact CD1-O 3.49Å; S217-S231 CarbonylContact C-O 3.56Å; S217-S231 VanDerWaalsContact CA-O 3.24Å; S217-S231 WeakPolarHBondContact CA-O 3.5Å; C218-S231 PolarHBondContact N-O 3.37Å; C218-S231 PolarHBondContact O-N 2.68Å |
| 232 | V | 90.8 | Very high | 76.5 | Confident | 88 Ų | 88 | 72.6 Ų | 72.6 | 53% | 0.533 | 40% | 0.396 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.8 | 130.5 | -174.9 | -175.1 | 0 | 0 | 0 | 0 | 107.7 | V216 | V216-V232 WeakPolarHBondContact O-CA 3.27Å |
| 233 | I | 83.9 | Confident | 74.3 | Confident | 35 Ų | 35 | 72.8 Ų | 72.8 | 18% | 0.179 | 40% | 0.397 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.4 | 121.1 | 167.5 | -168.2 | 166.3 | 0 | 0 | 0 | 108.4 | I150 L162 S215 V216 | I150-I233 HydrophobicContact CB-CB 4.33Å; I150-I233 HydrophobicContact CB-CG2 4.45Å; I150-I233 HydrophobicContact CD1-CB 4.21Å; I150-I233 HydrophobicContact CD1-CG2 4.09Å; I150-I233 HydrophobicContact CG2-CB 4.03Å; I150-I233 HydrophobicContact CG2-CD1 4.01Å; I150-I233 HydrophobicContact CG2-CG2 3.72Å; L162-I233 HydrophobicContact CD1-CG2 4.12Å; L162-I233 HydrophobicContact CD2-CD1 4.37Å; S215-I233 WeakPolarHBondContact CA-O 3.24Å; S215-I233 VanDerWaalsContact CB-O 3.29Å; S215-I233 WeakPolarHBondContact CB-O 3.47Å; V216-I233 HydrophobicContact CG2-CG2 3.49Å; V216-I233 VanDerWaalsContact CG2-CG2 3.49Å; V216-I233 PolarHBondContact N-O 3.04Å; V216-I233 PolarHBondContact O-N 3.21Å |
| 234 | S | 77.9 | Confident | 72.3 | Confident | 82 Ų | 82 | 73.6 Ų | 73.6 | 57% | 0.573 | 41% | 0.408 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -80 | 125.4 | 165.4 | -60.2 | 0 | 0 | 0 | 0 | 107.5 | P236 | S234-P236 WeakPolarHBondContact O-CD 3.43Å |
| 235 | L | 67.5 | Low | 70.7 | Confident | 15 Ų | 15 | 74.4 Ų | 74.4 | 8% | 0.079 | 42% | 0.416 | C | S | . | . | trans | -81 | 103.3 | 174.2 | -67.5 | 178.8 | 0 | 0 | 0 | 107.1 | M152 L162 V208 E214 E237 Q240 | M152-L235 HydrophobicContact CE-CD2 3.93Å; L162-L235 HydrophobicContact CD1-CD2 4.29Å; L162-L235 HydrophobicContact CD2-CD2 4.27Å; V208-L235 HydrophobicContact CG1-CD1 3.99Å; V208-L235 HydrophobicContact CG2-CD1 4.49Å; E214-L235 PolarHBondContact O-N 2.88Å; L235-E237 PolarHBondContact O-N 3.36Å; L235-Q240 PolarHBondContact O-NE2 2.74Å | ||
| 236 | P | 57.8 | Low | 69.7 | Low | 54 Ų | 54 | 73.4 Ų | 73.4 | 35% | 0.351 | 41% | 0.411 | S | S | . | . | trans | -75.2 | 120.7 | -169 | -10.7 | 28.2 | 0 | 0 | 0 | 109.8 | S234 K238 L239 Q240 | S234-P236 WeakPolarHBondContact O-CD 3.43Å; P236-K238 PolarHBondContact O-N 2.86Å; P236-K238 VanDerWaalsContact O-N 3.12Å; P236-L239 HydrophobicContact CB-CB 4.27Å; P236-L239 HydrophobicContact CB-CD1 4.21Å; P236-L239 HydrophobicContact CG-CB 4.5Å; P236-L239 HydrophobicContact CG-CD1 4.08Å; P236-L239 PolarHBondContact O-N 2.87Å; P236-Q240 PolarHBondContact O-N 2.81Å; P236-Q240 VanDerWaalsContact O-N 3.14Å; P236-Q240 PolarHBondContact O-NE2 2.96Å | ||
| 237 | E | 51.6 | Low | 69.3 | Low | 171 Ų | 171 | 74.5 Ų | 74.5 | 80% | 0.799 | 41% | 0.406 | S | S | * | . | H | α-helix | trans | -56.3 | -28.4 | 179.4 | -147.1 | -179 | -169.2 | 0 | 0 | 112.1 | L235 T241 | L235-E237 PolarHBondContact O-N 3.36Å; E237-T241 WeakPolarHBondContact O-CB 3.14Å; E237-T241 PolarHBondContact O-N 2.89Å; E237-T241 PolarHBondContact O-OG1 3.25Å |
| 238 | K | 43.8 | Very low | 69.2 | Low | 168 Ų | 168 | 70.1 Ų | 70.1 | 73% | 0.73 | 39% | 0.386 | S | S | * | . | H | α-helix | trans | -81.1 | -37.5 | -178.3 | -124.4 | 176.2 | -179.9 | -177.1 | 0 | 114.5 | P236 E242 | P236-K238 PolarHBondContact O-N 2.86Å; P236-K238 VanDerWaalsContact O-N 3.12Å; K238-E242 PolarHBondContact O-N 3.28Å |
| 239 | L | 46.7 | Very low | 69 | Low | 33 Ų | 33 | 67.4 Ų | 67.4 | 17% | 0.173 | 38% | 0.375 | C | S | . | . | H | α-helix | trans | -81.3 | -34 | 179.7 | -83.3 | 155.1 | 0 | 0 | 0 | 111.9 | P236 T241 L243 D346 | P236-L239 HydrophobicContact CB-CB 4.27Å; P236-L239 HydrophobicContact CB-CD1 4.21Å; P236-L239 HydrophobicContact CG-CB 4.5Å; P236-L239 HydrophobicContact CG-CD1 4.08Å; P236-L239 PolarHBondContact O-N 2.87Å; L239-T241 VanDerWaalsContact C-N 3.26Å; L239-T241 PolarHBondContact O-N 2.87Å; L239-L243 HydrophobicContact CD2-CD1 4.2Å; L239-L243 PolarHBondContact O-N 2.88Å; L239-L243 VanDerWaalsContact O-N 3.07Å; L239-D346 HydrophobicContact CD1-CB 3.99Å; L239-D346 HydrophobicContact CD2-CB 4.24Å |
| 240 | Q | 47.4 | Very low | 68.9 | Low | 63 Ų | 63 | 64.9 Ų | 64.9 | 29% | 0.294 | 37% | 0.369 | S | S | . | . | H | α-helix | trans | -61.8 | -34.5 | 168.3 | -75.1 | 171.7 | 74.7 | 0 | 0 | 111.8 | L235 P236 A244 | L235-Q240 PolarHBondContact O-NE2 2.74Å; P236-Q240 PolarHBondContact O-N 2.81Å; P236-Q240 VanDerWaalsContact O-N 3.14Å; P236-Q240 PolarHBondContact O-NE2 2.96Å; Q240-A244 WeakPolarHBondContact O-CA 3.05Å; Q240-A244 WeakPolarHBondContact O-CB 3.47Å; Q240-A244 PolarHBondContact O-N 3.2Å |
| 241 | T | 48.5 | Very low | 68.8 | Low | 95 Ų | 95 | 65.1 Ų | 65.1 | 58% | 0.583 | 36% | 0.363 | S | S | * | . | H | α-helix | trans | -84.6 | -42.1 | -178.9 | -46.5 | 0 | 0 | 0 | 0 | 112.1 | E237 L239 S245 | E237-T241 WeakPolarHBondContact O-CB 3.14Å; E237-T241 PolarHBondContact O-N 2.89Å; E237-T241 PolarHBondContact O-OG1 3.25Å; L239-T241 VanDerWaalsContact C-N 3.26Å; L239-T241 PolarHBondContact O-N 2.87Å; T241-S245 WeakPolarHBondContact O-CB 3.5Å; T241-S245 PolarHBondContact O-N 2.89Å; T241-S245 VanDerWaalsContact O-N 3.12Å; T241-S245 PolarHBondContact O-OG 2.86Å |
| 242 | E | 48.8 | Very low | 68.6 | Low | 111 Ų | 111 | 69.6 Ų | 69.6 | 52% | 0.519 | 39% | 0.394 | S | S | . | . | H | α-helix | trans | -73.2 | -53.6 | -179.3 | -74.9 | -169.7 | 173 | 0 | 0 | 112.3 | K238 S245 L246 | K238-E242 PolarHBondContact O-N 3.28Å; E242-S245 PolarHBondContact O-N 2.8Å; E242-S245 PolarHBondContact O-OG 2.82Å; E242-L246 WeakPolarHBondContact O-CD1 3.3Å; E242-L246 WeakPolarHBondContact O-CG 3.48Å; E242-L246 PolarHBondContact O-N 2.91Å; E242-L246 VanDerWaalsContact O-N 3.16Å |
| 243 | L | 50.2 | Low | 68.7 | Low | 4 Ų | 4 | 72.7 Ų | 72.7 | 2% | 0.021 | 40% | 0.403 | C | S | . | . | H | α-helix | trans | -79.5 | -28 | -180 | -78.2 | 173.3 | 0 | 0 | 0 | 114.1 | L239 S245 L246 M278 K345 V348 | L239-L243 HydrophobicContact CD2-CD1 4.2Å; L239-L243 PolarHBondContact O-N 2.88Å; L239-L243 VanDerWaalsContact O-N 3.07Å; L243-S245 VanDerWaalsContact C-N 3.29Å; L243-L246 HydrophobicContact CD2-CD1 4.07Å; L243-L246 CarbonylContact O-C 3.6Å; L243-L246 PolarHBondContact O-N 2.77Å; L243-M278 HydrophobicContact CD2-CE 4.21Å; L243-K345 HydrophobicContact CD1-CB 4.06Å; L243-V348 HydrophobicContact CB-CG1 4.17Å; L243-V348 HydrophobicContact CD1-CB 3.77Å; L243-V348 HydrophobicContact CD1-CG1 3.75Å; L243-V348 WeakPolarHBondContact CD1-O 3.4Å |
| 244 | A | 51.6 | Low | 69.1 | Low | 70 Ų | 70 | 74.8 Ų | 74.8 | 58% | 0.579 | 42% | 0.418 | S | S | * | . | H | α-helix | trans | -77.7 | -16 | 170.5 | 0 | 0 | 0 | 0 | 0 | 112.9 | Q240 | Q240-A244 WeakPolarHBondContact O-CA 3.05Å; Q240-A244 WeakPolarHBondContact O-CB 3.47Å; Q240-A244 PolarHBondContact O-N 3.2Å |
| 245 | S | 60.2 | Low | 70 | Confident | 66 Ų | 66 | 72.4 Ų | 72.4 | 46% | 0.462 | 40% | 0.399 | S | S | . | . | H | α-helix | trans | -78.1 | -25.1 | 165.1 | 76.6 | 0 | 0 | 0 | 0 | 112.9 | T241 E242 L243 P271 | T241-S245 WeakPolarHBondContact O-CB 3.5Å; T241-S245 PolarHBondContact O-N 2.89Å; T241-S245 VanDerWaalsContact O-N 3.12Å; T241-S245 PolarHBondContact O-OG 2.86Å; E242-S245 PolarHBondContact O-N 2.8Å; E242-S245 PolarHBondContact O-OG 2.82Å; L243-S245 VanDerWaalsContact C-N 3.29Å; S245-P271 VanDerWaalsContact O-CD 3.31Å; S245-P271 WeakPolarHBondContact O-CD 3.26Å |
| 246 | L | 71.8 | Confident | 71.3 | Confident | 15 Ų | 15 | 76.3 Ų | 76.3 | 8% | 0.079 | 42% | 0.419 | C | S | . | . | P | Polyproline II helix | trans | -90.1 | 117.1 | 179.3 | -67.5 | 167.5 | 0 | 0 | 0 | 110.4 | E242 L243 L269 S270 P271 A273 Q350 | E242-L246 WeakPolarHBondContact O-CD1 3.3Å; E242-L246 WeakPolarHBondContact O-CG 3.48Å; E242-L246 PolarHBondContact O-N 2.91Å; E242-L246 VanDerWaalsContact O-N 3.16Å; L243-L246 HydrophobicContact CD2-CD1 4.07Å; L243-L246 CarbonylContact O-C 3.6Å; L243-L246 PolarHBondContact O-N 2.77Å; L246-L269 HydrophobicContact CB-CD2 4.48Å; L246-L269 HydrophobicContact CD2-CB 4.39Å; L246-S270 CarbonylContact C-O 3.56Å; L246-S270 WeakPolarHBondContact CA-O 3.44Å; L246-P271 HydrophobicContact CD2-CG 3.89Å; L246-P271 WeakPolarHBondContact CD2-O 3.48Å; L246-A273 HydrophobicContact CD1-CB 3.94Å; L246-A273 HydrophobicContact CD2-CB 3.63Å; L246-A273 HydrophobicContact CG-CB 4.48Å; L246-Q350 WeakPolarHBondContact O-CG 3.25Å |
| 247 | K | 83.8 | Confident | 73.1 | Confident | 137 Ų | 137 | 74.2 Ų | 74.2 | 60% | 0.596 | 41% | 0.405 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -95.9 | 131.1 | 171.2 | -64.6 | -175.5 | 178.1 | -173.7 | 0 | 109.3 | N249 L269 S270 | K247-N249 PolarHBondContact O-ND2 2.89Å; K247-L269 CarbonylContact O-C 3.54Å; K247-L269 WeakPolarHBondContact O-CA 3.24Å; K247-S270 PolarHBondContact N-O 3.04Å; K247-S270 PolarHBondContact O-N 2.81Å |
| 248 | V | 92.2 | Very high | 75.2 | Confident | 10 Ų | 10 | 71.5 Ų | 71.5 | 6% | 0.061 | 39% | 0.388 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -78.6 | 130.3 | 163.9 | 179 | 0 | 0 | 0 | 0 | 107.6 | C267 L269 F343 Q350 A352 | V248-C267 HydrophobicContact CG1-CB 4.24Å; V248-L269 HydrophobicContact CG2-CD2 3.73Å; V248-F343 HydrophobicContact CB-CD2 4.35Å; V248-F343 HydrophobicContact CG1-CD2 3.76Å; V248-F343 HydrophobicContact CG1-CE2 3.91Å; V248-F343 HydrophobicContact CG2-CB 3.82Å; V248-F343 HydrophobicContact CG2-CD2 3.54Å; V248-F343 HydrophobicContact CG2-CE2 4.34Å; V248-F343 HydrophobicContact CG2-CG 3.86Å; V248-Q350 HydrophobicContact CB-CB 4.31Å; V248-Q350 HydrophobicContact CG2-CB 3.57Å; V248-A352 HydrophobicContact CB-CB 4.43Å; V248-A352 HydrophobicContact CG1-CB 3.82Å |
| 249 | N | 92.4 | Very high | 77.6 | Confident | 48 Ų | 48 | 66 Ų | 66 | 26% | 0.257 | 37% | 0.369 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.8 | 132.6 | 178.7 | -59.7 | -88.6 | 0 | 0 | 0 | 109 | K247 C267 Y268 S270 | K247-N249 PolarHBondContact O-ND2 2.89Å; N249-C267 WeakPolarHBondContact O-CA 3Å; N249-Y268 HydrophobicContact CB-CD1 4.35Å; N249-Y268 HydrophobicContact CB-CD2 4.17Å; N249-Y268 HydrophobicContact CB-CE1 3.83Å; N249-Y268 HydrophobicContact CB-CE2 3.62Å; N249-Y268 VanDerWaalsContact CB-CZ 3.42Å; N249-Y268 PolarHBondContact N-O 2.95Å; N249-Y268 WeakPolarHBondContact O-CD1 3.42Å; N249-Y268 PolarHBondContact O-N 3.15Å; N249-S270 WeakPolarHBondContact ND2-CB 3.11Å |
| 250 | G | 92.8 | Very high | 79.9 | Confident | 18 Ų | 18 | 66.6 Ų | 66.6 | 19% | 0.186 | 38% | 0.382 | C | S | . | . | trans | -106.7 | 179.1 | 167.3 | 0 | 0 | 0 | 0 | 0 | 111.1 | S252 | G250-S252 PolarHBondContact O-N 2.9Š| ||
| 251 | P | 92.1 | Very high | 82.3 | Confident | 51 Ų | 51 | 68.3 Ų | 68.3 | 33% | 0.331 | 39% | 0.39 | S | S | . | . | trans | -60.4 | 133 | 169.5 | 21.7 | -26.9 | 0 | 0 | 0 | 110.7 | Q253 I255 T266 L354 | P251-Q253 VanDerWaalsContact C-N 3.33Å; P251-I255 HydrophobicContact CB-CG1 4.38Å; P251-I255 HydrophobicContact CG-CD1 3.69Å; P251-I255 HydrophobicContact CG-CG1 3.79Å; P251-T266 WeakPolarHBondContact CD-O 2.97Å; P251-L354 HydrophobicContact CG-CD2 3.93Å; P251-L354 HydrophobicContact CG-CG 4.43Å | ||
| 252 | S | 88.7 | Confident | 84.7 | Confident | 127 Ų | 127 | 67.6 Ų | 67.6 | 89% | 0.888 | 38% | 0.383 | S | S | * | . | S | Bend | trans | -80.1 | -15.5 | 179.9 | 56.6 | 0 | 0 | 0 | 0 | 113.8 | G250 | G250-S252 PolarHBondContact O-N 2.9Š|
| 253 | Q | 92.3 | Very high | 87 | Confident | 154 Ų | 154 | 62.3 Ų | 62.3 | 72% | 0.72 | 36% | 0.358 | S | S | * | . | S | Bend | trans | -109.1 | 150.3 | 175.9 | -66.7 | -173 | -15.1 | 0 | 0 | 109.9 | P251 I255 | P251-Q253 VanDerWaalsContact C-N 3.33Å; Q253-I255 PolarHBondContact O-N 2.02Å |
| 254 | P | 93.8 | Very high | 89.3 | Confident | 78 Ų | 78 | 67.2 Ų | 67.2 | 51% | 0.506 | 38% | 0.381 | S | S | . | . | trans | -56.4 | 135.5 | 174 | -23.3 | 33.3 | 0 | 0 | 0 | 111.5 | L256 D355 K357 | P254-L256 PolarHBondContact O-N 2.91Å; P254-D355 CarbonylContact C-O 3.52Å; P254-D355 VanDerWaalsContact CA-O 3.29Å; P254-D355 WeakPolarHBondContact CA-O 3.41Å; P254-D355 HydrophobicContact CB-CB 4.3Å; P254-K357 HydrophobicContact CB-CG 3.96Å | ||
| 255 | I | 95.9 | Very high | 91.5 | Very high | 33 Ų | 33 | 63.9 Ų | 63.9 | 17% | 0.169 | 35% | 0.354 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -81.4 | 115.9 | 175.7 | -54.4 | 160 | 0 | 0 | 0 | 106.9 | P251 Q253 V257 L265 L354 D355 L356 K357 | P251-I255 HydrophobicContact CB-CG1 4.38Å; P251-I255 HydrophobicContact CG-CD1 3.69Å; P251-I255 HydrophobicContact CG-CG1 3.79Å; Q253-I255 PolarHBondContact O-N 2.02Å; I255-V257 HydrophobicContact CG2-CG2 3.87Å; I255-L265 HydrophobicContact CD1-CD2 3.55Å; I255-L354 HydrophobicContact CD1-CB 4.41Å; I255-L354 HydrophobicContact CD1-CD2 4.18Å; I255-D355 PolarHBondContact N-O 2.93Å; I255-L356 HydrophobicContact CB-CD1 4.03Å; I255-L356 HydrophobicContact CG2-CD1 4.04Å; I255-K357 PolarHBondContact O-N 2.82Å |
| 256 | L | 94.8 | Very high | 93.2 | Very high | 96 Ų | 96 | 62.3 Ų | 62.3 | 50% | 0.503 | 34% | 0.341 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.7 | 124.1 | 177.8 | -172 | 70.5 | 0 | 0 | 0 | 110.1 | P254 K357 V359 F441 L442 | P254-L256 PolarHBondContact O-N 2.91Å; L256-K357 WeakPolarHBondContact CA-O 3.37Å; L256-K357 HydrophobicContact CD1-CB 4.03Å; L256-V359 HydrophobicContact CD1-CB 4.27Å; L256-V359 HydrophobicContact CD1-CG1 3.49Å; L256-V359 VanDerWaalsContact CD1-CG1 3.49Å; L256-V359 HydrophobicContact CD1-CG2 3.75Å; L256-V359 HydrophobicContact CG-CG2 4.07Å; L256-F441 HydrophobicContact CD1-CE2 4.12Å; L256-L442 HydrophobicContact CD2-CD2 4.07Å; L256-L442 HydrophobicContact CD2-CG 4.47Å |
| 257 | V | 96.4 | Very high | 94.4 | Very high | 10 Ų | 10 | 61.6 Ų | 61.6 | 6% | 0.061 | 34% | 0.337 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.9 | 135.3 | -178.9 | -175.5 | 0 | 0 | 0 | 0 | 110.2 | I255 E261 I263 A331 L356 K357 V358 V359 | I255-V257 HydrophobicContact CG2-CG2 3.87Å; V257-E261 HydrophobicContact CG1-CB 3.83Å; V257-I263 HydrophobicContact CB-CG1 4.32Å; V257-I263 HydrophobicContact CG1-CG1 3.94Å; V257-I263 HydrophobicContact CG2-CG1 4.21Å; V257-A331 HydrophobicContact CG1-CB 3.85Å; V257-L356 HydrophobicContact CB-CD1 4.36Å; V257-L356 HydrophobicContact CG2-CD1 3.69Å; V257-K357 PolarHBondContact N-O 2.86Å; V257-V358 CarbonylContact O-C 3.56Å; V257-V358 VanDerWaalsContact O-CA 3.31Å; V257-V358 WeakPolarHBondContact O-CA 3.4Å; V257-V359 PolarHBondContact O-N 3.21Å |
| 258 | R | 94.7 | Very high | 94.9 | Very high | 115 Ų | 115 | 59 Ų | 59 | 43% | 0.434 | 32% | 0.324 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -80.2 | 149.5 | 175.9 | -58.2 | 179.1 | 172.8 | -141.5 | -5.8 | 110.9 | G260 E261 V359 L361 | R258-G260 PolarHBondContact O-N 2.89Å; R258-E261 HydrophobicContact CB-CG 4.06Å; R258-E261 WeakPolarHBondContact CB-OE2 3.46Å; R258-E261 PolarHBondContact N-OE2 2.75Å; R258-E261 WeakPolarHBondContact O-CB 3.43Å; R258-E261 PolarHBondContact O-N 2.86Å; R258-V359 CarbonylContact C-O 3.31Å; R258-V359 VanDerWaalsContact CA-O 3.24Å; R258-V359 WeakPolarHBondContact CA-O 3.46Å; R258-V359 HydrophobicContact CG-CG2 4.13Å; R258-L361 VanDerWaalsContact CZ-CD1 3.4Å |
| 259 | V | 95.3 | Very high | 94.9 | Very high | 53 Ų | 53 | 58.7 Ų | 58.7 | 32% | 0.321 | 32% | 0.322 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -54.3 | 128.6 | 174 | 174.1 | 0 | 0 | 0 | 0 | 109.9 | P333 V358 V359 L416 | V259-P333 HydrophobicContact CG2-CG 4.15Å; V259-V358 HydrophobicContact CG2-CG1 3.6Å; V259-V359 PolarHBondContact N-O 2.89Å; V259-L416 HydrophobicContact CG2-CD2 4.05Å |
| 260 | G | 95.1 | Very high | 94.7 | Very high | 45 Ų | 45 | 59 Ų | 59 | 46% | 0.464 | 33% | 0.329 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 89.9 | -14 | -177.1 | 0 | 0 | 0 | 0 | 0 | 115.8 | R258 A331 | R258-G260 PolarHBondContact O-N 2.89Å; G260-A331 PolarHBondContact N-O 3.32Å |
| 261 | E | 97.2 | Very high | 94.5 | Very high | 98 Ų | 98 | 61.8 Ų | 61.8 | 46% | 0.458 | 34% | 0.343 | S | S | . | . | S | Bend | trans | -80.1 | 160.4 | 172.7 | -66 | 179.4 | 158.9 | 0 | 0 | 111.6 | V257 R258 A331 | V257-E261 HydrophobicContact CG1-CB 3.83Å; R258-E261 HydrophobicContact CB-CG 4.06Å; R258-E261 WeakPolarHBondContact CB-OE2 3.46Å; R258-E261 PolarHBondContact N-OE2 2.75Å; R258-E261 WeakPolarHBondContact O-CB 3.43Å; R258-E261 PolarHBondContact O-N 2.86Å; E261-A331 WeakPolarHBondContact O-CB 3Å; E261-A331 PolarHBondContact O-N 2.82Å |
| 262 | D | 98 | Very high | 94.3 | Very high | 80 Ų | 80 | 66.1 Ų | 66.1 | 43% | 0.428 | 36% | 0.357 | S | S | . | . | P | Polyproline II helix | trans | -83.2 | 132 | 177.6 | -63.5 | -22.2 | 0 | 0 | 0 | 111 | L329 S330 | D262-L329 VanDerWaalsContact OD1-CA 3.29Å; D262-L329 WeakPolarHBondContact OD1-CA 3.46Å; D262-S330 PolarHBondContact OD1-N 2.96Å |
| 263 | I | 98.2 | Very high | 94.3 | Very high | 0 Ų | 0 | 61.3 Ų | 61.3 | 0% | 0 | 33% | 0.325 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.3 | 139.8 | 179.5 | -59.7 | 154 | 0 | 0 | 0 | 109 | V257 L265 Q327 I328 A331 D335 L356 | V257-I263 HydrophobicContact CB-CG1 4.32Å; V257-I263 HydrophobicContact CG1-CG1 3.94Å; V257-I263 HydrophobicContact CG2-CG1 4.21Å; I263-L265 HydrophobicContact CG2-CD2 3.65Å; I263-L265 HydrophobicContact CG2-CG 3.84Å; I263-Q327 CarbonylContact O-C 3.52Å; I263-Q327 WeakPolarHBondContact O-CA 3.35Å; I263-I328 HydrophobicContact CB-CB 4.09Å; I263-I328 HydrophobicContact CD1-CB 4.04Å; I263-I328 HydrophobicContact CD1-CG2 4.3Å; I263-I328 PolarHBondContact N-O 2.69Å; I263-I328 PolarHBondContact O-N 2.83Å; I263-A331 HydrophobicContact CD1-CB 3.79Å; I263-A331 HydrophobicContact CG1-CB 3.8Å; I263-D335 HydrophobicContact CD1-CB 3.95Å; I263-L356 HydrophobicContact CD1-CD2 3.67Å; I263-L356 HydrophobicContact CG1-CD1 4.35Å; I263-L356 HydrophobicContact CG1-CD2 4.07Å; I263-L356 HydrophobicContact CG2-CD1 3.65Å; I263-L356 HydrophobicContact CG2-CD2 3.82Å; I263-L356 HydrophobicContact CG2-CG 4.41Å |
| 264 | Q | 97.5 | Very high | 94.1 | Very high | 108 Ų | 108 | 57.6 Ų | 57.6 | 51% | 0.505 | 31% | 0.31 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.7 | 108.9 | 172.9 | -58 | -169 | 9.8 | 0 | 0 | 111.2 | T325 Q327 | Q264-T325 HydrophobicContact CB-CG2 3.98Å; Q264-Q327 HydrophobicContact CG-CG 4.32Å |
| 265 | L | 97.4 | Very high | 93.9 | Very high | 0 Ų | 0 | 53.9 Ų | 53.9 | 0% | 0 | 29% | 0.286 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.6 | 93.4 | 177.7 | -57.1 | -175.5 | 0 | 0 | 0 | 109.1 | I255 I263 W282 L326 I328 Y339 L354 | I255-L265 HydrophobicContact CD1-CD2 3.55Å; I263-L265 HydrophobicContact CG2-CD2 3.65Å; I263-L265 HydrophobicContact CG2-CG 3.84Å; L265-W282 PolarHBondContact O-NE1 2.82Å; L265-L326 HydrophobicContact CB-CB 4.32Å; L265-L326 HydrophobicContact CD1-CD2 4.47Å; L265-L326 PolarHBondContact N-O 3.25Å; L265-L326 PolarHBondContact O-N 3.08Å; L265-I328 HydrophobicContact CD1-CD1 3.94Å; L265-Y339 HydrophobicContact CD1-CD1 3.43Å; L265-Y339 VanDerWaalsContact CD1-CD1 3.43Å; L265-Y339 HydrophobicContact CD1-CD2 4.18Å; L265-Y339 HydrophobicContact CD1-CE1 3.78Å; L265-Y339 HydrophobicContact CD1-CG 3.66Å; L265-L354 HydrophobicContact CB-CD2 4.06Å; L265-L354 HydrophobicContact CD2-CD2 4.35Å |
| 266 | T | 96.9 | Very high | 93.5 | Very high | 32 Ų | 32 | 57 Ų | 57 | 20% | 0.196 | 30% | 0.299 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.8 | 131.8 | -176.4 | -56.7 | 0 | 0 | 0 | 0 | 111.5 | P251 R323 T325 | P251-T266 WeakPolarHBondContact CD-O 2.97Å; T266-R323 HydrophobicContact CG2-CG 4.24Å; T266-T325 WeakPolarHBondContact CB-OG1 3.44Å; T266-T325 VanDerWaalsContact CG2-OG1 3.3Å; T266-T325 WeakPolarHBondContact CG2-OG1 3.46Å; T266-T325 VanDerWaalsContact OG1-CG2 3.26Å; T266-T325 WeakPolarHBondContact OG1-CG2 3.49Å; T266-T325 PolarHBondContact OG1-OG1 3.29Å |
| 267 | C | 96.4 | Very high | 92.9 | Very high | 0 Ų | 0 | 55.8 Ų | 55.8 | 0% | 0 | 30% | 0.299 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.7 | 152 | 169.7 | -70.9 | 0 | 0 | 0 | 0 | 111.9 | V248 N249 L324 C341 F343 | V248-C267 HydrophobicContact CG1-CB 4.24Å; N249-C267 WeakPolarHBondContact O-CA 3Å; C267-L324 PolarHBondContact N-O 2.83Å; C267-L324 PolarHBondContact O-N 3.21Å; C267-L324 VanDerWaalsContact O-O 3.09Å; C267-C341 HydrophobicContact CB-CB 3.7Å; C267-C341 WeakPolarHBondContact CB-SG 3.29Å; C267-C341 WeakPolarHBondContact SG-CB 3.42Å; C267-C341 CovalentContact SG-SG 2Å; C267-C341 PolarHBondContact SG-SG 2.92Å; C267-F343 HydrophobicContact CB-CE2 3.85Å; C267-F343 HydrophobicContact CB-CZ 4.4Å |
| 268 | Y | 94.9 | Very high | 92.5 | Very high | 83 Ų | 83 | 55.7 Ų | 55.7 | 33% | 0.325 | 30% | 0.298 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -146.8 | 150.1 | 179.7 | 64 | -87 | 0 | 0 | 0 | 113.7 | N249 G322 | N249-Y268 HydrophobicContact CB-CD1 4.35Å; N249-Y268 HydrophobicContact CB-CD2 4.17Å; N249-Y268 HydrophobicContact CB-CE1 3.83Å; N249-Y268 HydrophobicContact CB-CE2 3.62Å; N249-Y268 VanDerWaalsContact CB-CZ 3.42Å; N249-Y268 PolarHBondContact N-O 2.95Å; N249-Y268 WeakPolarHBondContact O-CD1 3.42Å; N249-Y268 PolarHBondContact O-N 3.15Å; Y268-G322 CarbonylContact C-O 3.37Å; Y268-G322 WeakPolarHBondContact CA-O 3.22Å |
| 269 | L | 92.3 | Very high | 92.2 | Very high | 3 Ų | 3 | 52 Ų | 52 | 2% | 0.016 | 29% | 0.286 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -78.5 | 141.3 | 173 | -62.8 | 175.1 | 0 | 0 | 0 | 111.5 | L246 K247 V248 P271 A273 A275 M278 G322 F343 | L246-L269 HydrophobicContact CB-CD2 4.48Å; L246-L269 HydrophobicContact CD2-CB 4.39Å; K247-L269 CarbonylContact O-C 3.54Å; K247-L269 WeakPolarHBondContact O-CA 3.24Å; V248-L269 HydrophobicContact CG2-CD2 3.73Å; L269-P271 CarbonylContact C-O 3.47Å; L269-P271 VanDerWaalsContact C-O 3.28Å; L269-A273 HydrophobicContact CD1-CB 4.12Å; L269-A275 HydrophobicContact CD1-CB 4.21Å; L269-M278 HydrophobicContact CD1-CE 4.07Å; L269-M278 HydrophobicContact CD1-SD 3.92Å; L269-G322 PolarHBondContact N-O 3.25Å; L269-F343 HydrophobicContact CD1-CD1 3.96Å; L269-F343 HydrophobicContact CD1-CE1 4.21Å; L269-F343 HydrophobicContact CD2-CB 4.16Å; L269-F343 HydrophobicContact CD2-CD1 3.75Å; L269-F343 HydrophobicContact CD2-CE1 4.23Å; L269-F343 HydrophobicContact CD2-CG 3.91Å; L269-F343 HydrophobicContact CG-CD1 3.83Å; L269-F343 HydrophobicContact CG-CE1 3.89Å; L269-F343 HydrophobicContact CG-CG 4.46Å |
| 270 | S | 87.9 | Confident | 92 | Very high | 56 Ų | 56 | 49.4 Ų | 49.4 | 39% | 0.392 | 27% | 0.27 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.5 | 117.8 | 172.5 | -175.1 | 0 | 0 | 0 | 0 | 110.3 | L246 K247 N249 | L246-S270 CarbonylContact C-O 3.56Å; L246-S270 WeakPolarHBondContact CA-O 3.44Å; K247-S270 PolarHBondContact N-O 3.04Å; K247-S270 PolarHBondContact O-N 2.81Å; N249-S270 WeakPolarHBondContact ND2-CB 3.11Å |
| 271 | P | 88.3 | Confident | 91.9 | Very high | 75 Ų | 75 | 47.3 Ų | 47.3 | 49% | 0.487 | 25% | 0.248 | S | C | . | . | S | Bend | cis | -62.7 | 165.5 | -1.6 | 27.4 | -35.7 | 0 | 0 | 0 | 113.6 | S245 L246 L269 A273 | S245-P271 VanDerWaalsContact O-CD 3.31Å; S245-P271 WeakPolarHBondContact O-CD 3.26Å; L246-P271 HydrophobicContact CD2-CG 3.89Å; L246-P271 WeakPolarHBondContact CD2-O 3.48Å; L269-P271 CarbonylContact C-O 3.47Å; L269-P271 VanDerWaalsContact C-O 3.28Å; P271-A273 PolarHBondContact O-N 2.89Å |
| 272 | K | 89.3 | Confident | 91.8 | Very high | 142 Ų | 142 | 42.7 Ų | 42.7 | 62% | 0.617 | 23% | 0.227 | S | C | * | . | trans | -58.7 | 131.6 | 176.8 | -68.2 | -174.1 | 175.5 | -162.6 | 0 | 110.1 | E321 | K272-E321 HydrophobicContact CD-CB 4.14Å; K272-E321 HydrophobicContact CD-CG 4.39Å; K272-E321 IonicContact NZ-OE1 2.76Å; K272-E321 PolarHBondContact NZ-OE1 3Å; K272-E321 IonicContact NZ-OE2 3.29Å; K272-E321 PolarHBondContact NZ-OE2 3.21Å | ||
| 273 | A | 87.3 | Confident | 91.5 | Very high | 26 Ų | 26 | 38.9 Ų | 38.9 | 22% | 0.215 | 21% | 0.206 | C | C | . | . | trans | -151.5 | 149.9 | 179.8 | 0 | 0 | 0 | 0 | 0 | 110.6 | L246 L269 P271 A275 E321 G322 | L246-A273 HydrophobicContact CD1-CB 3.94Å; L246-A273 HydrophobicContact CD2-CB 3.63Å; L246-A273 HydrophobicContact CG-CB 4.48Å; L269-A273 HydrophobicContact CD1-CB 4.12Å; P271-A273 PolarHBondContact O-N 2.89Å; A273-A275 PolarHBondContact O-N 3.14Å; A273-E321 PolarHBondContact N-O 2.94Å; A273-E321 CarbonylContact O-C 3.59Å; A273-E321 VanDerWaalsContact O-C 3.26Å; A273-G322 WeakPolarHBondContact O-CA 3.45Å; A273-G322 PolarHBondContact O-N 3.47Å | ||
| 274 | N | 87.7 | Confident | 91 | Very high | 76 Ų | 76 | 41.1 Ų | 41.1 | 41% | 0.406 | 22% | 0.215 | S | C | . | . | trans | -70.3 | 124.8 | -178.8 | -174.1 | -18.7 | 0 | 0 | 0 | 111.1 | Q276 D320 | N274-Q276 PolarHBondContact ND2-OE1 2.8Å; N274-Q276 WeakPolarHBondContact OD1-CB 3.46Å; N274-Q276 WeakPolarHBondContact OD1-CG 3.27Å; N274-Q276 PolarHBondContact OD1-N 3.09Å; N274-D320 VanDerWaalsContact CA-O 3.23Å; N274-D320 WeakPolarHBondContact CA-O 3.5Å; N274-D320 PolarHBondContact N-O 2.85Å | ||
| 275 | A | 89.7 | Confident | 89.9 | Confident | 0 Ų | 0 | 40.3 Ų | 40.3 | 0% | 0 | 22% | 0.221 | C | C | . | . | trans | -105 | 8.9 | -179.7 | 0 | 0 | 0 | 0 | 0 | 114.1 | L269 A273 S277 M278 I319 L324 F343 | L269-A275 HydrophobicContact CD1-CB 4.21Å; A273-A275 PolarHBondContact O-N 3.14Å; A275-S277 VanDerWaalsContact C-N 3.31Å; A275-S277 PolarHBondContact O-N 3.08Å; A275-M278 HydrophobicContact CB-CB 4.45Å; A275-M278 HydrophobicContact CB-CG 4.4Å; A275-M278 HydrophobicContact CB-SD 3.98Å; A275-M278 WeakPolarHBondContact O-CB 3.3Å; A275-M278 PolarHBondContact O-N 3.19Å; A275-M278 VanDerWaalsContact O-N 3.11Å; A275-I319 HydrophobicContact CB-CG1 4.11Å; A275-I319 PolarHBondContact N-O 3.42Å; A275-L324 HydrophobicContact CB-CD1 3.98Å; A275-F343 HydrophobicContact CB-CD1 4.07Å; A275-F343 HydrophobicContact CB-CE1 3.87Å | ||
| 276 | Q | 88.6 | Confident | 88.6 | Confident | 98 Ų | 98 | 47.1 Ų | 47.1 | 46% | 0.458 | 25% | 0.253 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -60.5 | -38.5 | -176.9 | -75.3 | 174.3 | -25.4 | 0 | 0 | 113.4 | N274 M278 Y294 I319 | N274-Q276 PolarHBondContact ND2-OE1 2.8Å; N274-Q276 WeakPolarHBondContact OD1-CB 3.46Å; N274-Q276 WeakPolarHBondContact OD1-CG 3.27Å; N274-Q276 PolarHBondContact OD1-N 3.09Å; Q276-M278 VanDerWaalsContact C-N 3.31Å; Q276-Y294 PolarHBondContact O-OH 3.04Å; Q276-I319 HydrophobicContact CG-CB 4.38Å; Q276-I319 HydrophobicContact CG-CD1 4.11Å; Q276-I319 HydrophobicContact CG-CG1 3.98Å; Q276-I319 HydrophobicContact CG-CG2 3.58Å |
| 277 | S | 82.9 | Confident | 87.1 | Confident | 71 Ų | 71 | 48.9 Ų | 48.9 | 50% | 0.497 | 26% | 0.255 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -95.5 | 22.6 | 178.1 | 75.3 | 0 | 0 | 0 | 0 | 112.5 | A275 | A275-S277 VanDerWaalsContact C-N 3.31Å; A275-S277 PolarHBondContact O-N 3.08Å |
| 278 | M | 86.9 | Confident | 86.1 | Confident | 9 Ų | 9 | 54.8 Ų | 54.8 | 4% | 0.044 | 28% | 0.279 | C | S | . | . | S | Bend | trans | -109.2 | 149.1 | 175.4 | -61.9 | -175 | 176.8 | 0 | 0 | 108.8 | L243 L269 A275 Q276 V280 Y294 F343 E344 K345 | L243-M278 HydrophobicContact CD2-CE 4.21Å; L269-M278 HydrophobicContact CD1-CE 4.07Å; L269-M278 HydrophobicContact CD1-SD 3.92Å; A275-M278 HydrophobicContact CB-CB 4.45Å; A275-M278 HydrophobicContact CB-CG 4.4Å; A275-M278 HydrophobicContact CB-SD 3.98Å; A275-M278 WeakPolarHBondContact O-CB 3.3Å; A275-M278 PolarHBondContact O-N 3.19Å; A275-M278 VanDerWaalsContact O-N 3.11Å; Q276-M278 VanDerWaalsContact C-N 3.31Å; M278-V280 HydrophobicContact CB-CG2 4.43Å; M278-Y294 WeakPolarHBondContact O-CE1 3.16Å; M278-F343 HydrophobicContact SD-CB 4.47Å; M278-F343 HydrophobicContact SD-CD1 4.15Å; M278-E344 CarbonylContact C-O 3.54Å; M278-E344 WeakPolarHBondContact CA-O 3.34Å; M278-E344 WeakPolarHBondContact CB-O 3.39Å; M278-K345 HydrophobicContact CE-CD 4.34Å; M278-K345 HydrophobicContact CG-CB 4.2Å; M278-K345 HydrophobicContact CG-CD 4.41Å |
| 279 | E | 88.6 | Confident | 85.4 | Confident | 36 Ų | 36 | 54.4 Ų | 54.4 | 17% | 0.168 | 29% | 0.287 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -77.4 | 128.3 | 161.5 | -172.6 | -165 | 118.1 | 0 | 0 | 108.1 | R281 V293 Y294 M295 E344 | E279-R281 IonicContact OE1-CZ 3.14Å; E279-R281 IonicContact OE1-NE 3.83Å; E279-R281 PolarHBondContact OE1-NE 2.75Å; E279-R281 IonicContact OE1-NH2 3.78Å; E279-R281 PolarHBondContact OE1-NH2 2.86Å; E279-V293 HydrophobicContact CG-CG1 4.09Å; E279-Y294 CarbonylContact C-O 3.57Å; E279-Y294 WeakPolarHBondContact CA-O 3.35Å; E279-Y294 WeakPolarHBondContact CG-O 3.24Å; E279-M295 HydrophobicContact CB-CG 4.49Å; E279-M295 HydrophobicContact CG-CB 4.46Å; E279-M295 HydrophobicContact CG-CG 4.43Å; E279-E344 HydrophobicContact CB-CB 4.27Å; E279-E344 PolarHBondContact N-O 2.81Å; E279-E344 PolarHBondContact O-N 3.02Å |
| 280 | V | 91.7 | Very high | 85.2 | Confident | 0 Ų | 0 | 54.3 Ų | 54.3 | 0% | 0 | 29% | 0.286 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.4 | 125.1 | 176.1 | -171.3 | 0 | 0 | 0 | 0 | 109.2 | M278 W282 Y294 L324 L342 F343 | M278-V280 HydrophobicContact CB-CG2 4.43Å; V280-W282 HydrophobicContact CB-CZ3 4.41Å; V280-W282 HydrophobicContact CG1-CE3 4.41Å; V280-W282 HydrophobicContact CG1-CH2 3.68Å; V280-W282 HydrophobicContact CG1-CZ3 3.62Å; V280-Y294 HydrophobicContact CB-CD1 4.18Å; V280-Y294 HydrophobicContact CG2-CD1 4.1Å; V280-Y294 PolarHBondContact N-O 2.86Å; V280-Y294 PolarHBondContact O-N 3.37Å; V280-L324 HydrophobicContact CB-CD2 4.19Å; V280-L324 HydrophobicContact CG1-CD1 4.41Å; V280-L324 HydrophobicContact CG1-CD2 4.25Å; V280-L324 HydrophobicContact CG2-CD1 4.07Å; V280-L324 HydrophobicContact CG2-CD2 4.09Å; V280-L342 VanDerWaalsContact CA-O 3.32Å; V280-L342 WeakPolarHBondContact CA-O 3.29Å; V280-F343 HydrophobicContact CG1-CD1 4.48Å; V280-F343 HydrophobicContact CG1-CD2 4.16Å; V280-F343 HydrophobicContact CG1-CE1 4.28Å; V280-F343 HydrophobicContact CG1-CE2 3.91Å; V280-F343 HydrophobicContact CG1-CG 4.44Å; V280-F343 HydrophobicContact CG1-CZ 3.98Å; V280-F343 HydrophobicContact CG2-CD1 3.83Å; V280-F343 HydrophobicContact CG2-CE1 3.94Å; V280-F343 HydrophobicContact CG2-CG 4.3Å; V280-F343 HydrophobicContact CG2-CZ 4.47Å |
| 281 | R | 92 | Very high | 85.4 | Confident | 1 Ų | 1 | 51.6 Ų | 51.6 | 0% | 0.004 | 27% | 0.267 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.9 | 143.4 | -172.1 | 167.5 | 167.9 | 31.3 | -174.7 | -11 | 111.5 | E279 R287 Y288 A290 H292 V293 C341 L342 E344 | E279-R281 IonicContact OE1-CZ 3.14Å; E279-R281 IonicContact OE1-NE 3.83Å; E279-R281 PolarHBondContact OE1-NE 2.75Å; E279-R281 IonicContact OE1-NH2 3.78Å; E279-R281 PolarHBondContact OE1-NH2 2.86Å; R281-R287 PolarHBondContact NH1-O 3.38Å; R281-Y288 PolarHBondContact NH1-OH 2.9Å; R281-Y288 VanDerWaalsContact NH1-OH 3.08Å; R281-A290 HydrophobicContact CG-CB 3.84Å; R281-H292 WeakPolarHBondContact CA-O 3.23Å; R281-V293 HydrophobicContact CG-CG2 4.3Å; R281-C341 CarbonylContact O-C 3.57Å; R281-C341 VanDerWaalsContact O-CA 3.28Å; R281-C341 WeakPolarHBondContact O-CA 3.31Å; R281-L342 HydrophobicContact CB-CB 4.49Å; R281-L342 HydrophobicContact CG-CD1 4.41Å; R281-L342 PolarHBondContact N-O 2.8Å; R281-L342 PolarHBondContact O-N 2.89Å; R281-E344 IonicContact NH2-OE2 2.68Å; R281-E344 PolarHBondContact NH2-OE2 2.8Å; R281-E344 VanDerWaalsContact NH2-OE2 3.16Å |
| 282 | W | 95.6 | Very high | 85.6 | Confident | 0 Ų | 0 | 48.5 Ų | 48.5 | 0% | 0 | 25% | 0.246 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.4 | 128.3 | 164 | -73.3 | -103.6 | 0 | 0 | 0 | 109.4 | L265 V280 V291 H292 L314 L324 L326 R340 C341 | L265-W282 PolarHBondContact O-NE1 2.82Å; V280-W282 HydrophobicContact CB-CZ3 4.41Å; V280-W282 HydrophobicContact CG1-CE3 4.41Å; V280-W282 HydrophobicContact CG1-CH2 3.68Å; V280-W282 HydrophobicContact CG1-CZ3 3.62Å; W282-V291 HydrophobicContact CB-CB 4.17Å; W282-V291 WeakPolarHBondContact O-CA 3.35Å; W282-V291 VanDerWaalsContact O-CB 3.31Å; W282-V291 WeakPolarHBondContact O-CB 3.46Å; W282-V291 PolarHBondContact O-N 3.43Å; W282-H292 PolarHBondContact N-O 2.81Å; W282-H292 PolarHBondContact O-N 3.13Å; W282-L314 HydrophobicContact CH2-CD1 3.72Å; W282-L314 HydrophobicContact CZ3-CD1 3.65Å; W282-L324 HydrophobicContact CH2-CB 3.75Å; W282-L324 HydrophobicContact CZ2-CB 4.36Å; W282-L326 HydrophobicContact CB-CD2 3.53Å; W282-L326 HydrophobicContact CD2-CB 3.59Å; W282-L326 HydrophobicContact CD2-CD2 3.77Å; W282-L326 HydrophobicContact CD2-CG 4.28Å; W282-L326 VanDerWaalsContact CE2-CB 3.5Å; W282-L326 HydrophobicContact CE3-CB 3.97Å; W282-L326 HydrophobicContact CE3-CD2 4.21Å; W282-L326 HydrophobicContact CG-CB 4.02Å; W282-L326 HydrophobicContact CG-CD2 3.45Å; W282-L326 VanDerWaalsContact CG-CD2 3.45Å; W282-L326 HydrophobicContact CG-CG 4.38Å; W282-L326 HydrophobicContact CH2-CB 4.2Å; W282-L326 HydrophobicContact CZ2-CB 3.83Å; W282-L326 HydrophobicContact CZ3-CB 4.26Å; W282-R340 CarbonylContact C-O 3.51Å; W282-R340 VanDerWaalsContact CA-O 3.22Å; W282-R340 WeakPolarHBondContact CA-O 3.3Å; W282-C341 HydrophobicContact CG-CB 4.46Å |
| 283 | D | 91.5 | Very high | 85.7 | Confident | 1 Ų | 1 | 41.8 Ų | 41.8 | 1% | 0.005 | 22% | 0.217 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.6 | 169.9 | 174.9 | 76.2 | 47.6 | 0 | 0 | 0 | 112.5 | H286 Y339 R340 L342 | D283-H286 WeakPolarHBondContact CB-O 3.19Å; D283-Y339 CarbonylContact O-C 3.52Å; D283-Y339 WeakPolarHBondContact O-CA 3.12Å; D283-R340 PolarHBondContact N-O 2.71Å; D283-R340 PolarHBondContact O-N 3.01Å; D283-R340 IonicContact OD1-CZ 3.83Å; D283-R340 VanDerWaalsContact OD1-CZ 3.3Å; D283-R340 IonicContact OD1-NE 3.66Å; D283-R340 PolarHBondContact OD1-NE 3.22Å; D283-R340 IonicContact OD1-NH2 3.99Å; D283-R340 PolarHBondContact OD1-NH2 3.49Å; D283-R340 IonicContact OD2-NE 2.87Å; D283-R340 IonicContact OD2-NH2 2.77Å; D283-L342 WeakPolarHBondContact OD2-CD1 3.39Å |
| 284 | R | 88.6 | Confident | 85.7 | Confident | 47 Ų | 47 | 41.6 Ų | 41.6 | 18% | 0.177 | 21% | 0.211 | C | C | . | . | S | Bend | trans | -99.4 | -96.2 | 177.4 | -63.8 | -81.3 | -88.5 | 163.8 | -10.6 | 108.9 | V291 M305 Y308 S334 D335 D336 Q338 Y339 | R284-V291 HydrophobicContact CG-CG2 3.68Å; R284-M305 HydrophobicContact CG-SD 4.36Å; R284-Y308 PolarHBondContact NE-OH 2.77Å; R284-S334 PolarHBondContact NH2-O 2.68Å; R284-D335 PolarHBondContact NH1-O 3.09Å; R284-D335 PolarHBondContact NH2-O 3.3Å; R284-D336 PolarHBondContact NH1-O 3.48Å; R284-D336 VanDerWaalsContact NH1-O 3.15Å; R284-D336 PolarHBondContact NH2-O 2.83Å; R284-Q338 PolarHBondContact NH1-O 3.16Å; R284-Q338 VanDerWaalsContact NH1-O 3.13Å; R284-Y339 VanDerWaalsContact CD-CE1 3.45Å; R284-Y339 HydrophobicContact CG-CE1 4.39Å |
| 285 | S | 74.1 | Confident | 85.5 | Confident | 90 Ų | 90 | 41.9 Ų | 41.9 | 63% | 0.629 | 21% | 0.211 | S | C | * | . | S | Bend | trans | -100 | -29.1 | -176.4 | -50.3 | 0 | 0 | 0 | 0 | 113.5 | R340 | S285-R340 PolarHBondContact O-NH2 3.09Š|
| 286 | H | 69.4 | Low | 84.5 | Confident | 144 Ų | 144 | 47.6 Ų | 47.6 | 67% | 0.667 | 24% | 0.241 | S | C | * | . | S | Bend | trans | -127.7 | 152.8 | -179.1 | -57.5 | -67.7 | 0 | 0 | 0 | 110.5 | D283 Y288 | D283-H286 WeakPolarHBondContact CB-O 3.19Å; H286-Y288 VanDerWaalsContact C-N 3.27Å; H286-Y288 PolarHBondContact O-N 3.22Å |
| 287 | R | 65.9 | Low | 83.1 | Confident | 68 Ų | 68 | 45.2 Ų | 45.2 | 26% | 0.257 | 24% | 0.243 | S | C | . | . | S | Bend | trans | -66.6 | -25.9 | -176.9 | -177.4 | 174 | -109.7 | -130.5 | -13.8 | 113.4 | R281 E344 Y349 | R281-R287 PolarHBondContact NH1-O 3.38Å; R287-E344 IonicContact CZ-OE2 2.73Å; R287-E344 VanDerWaalsContact CZ-OE2 3.29Å; R287-E344 IonicContact NH1-OE1 3.78Å; R287-E344 IonicContact NH1-OE2 3.63Å; R287-E344 PolarHBondContact NH1-OE2 2.8Å; R287-E344 VanDerWaalsContact NH1-OE2 3.11Å; R287-E344 IonicContact NH2-OE2 3.5Å; R287-E344 PolarHBondContact NH2-OE2 3.43Å; R287-Y349 VanDerWaalsContact NH2-CG 3.34Å |
| 288 | Y | 74.7 | Confident | 82.1 | Confident | 124 Ų | 124 | 47.9 Ų | 47.9 | 49% | 0.486 | 25% | 0.252 | S | S | . | . | S | Bend | trans | -140.7 | 141.9 | 177.1 | -60.7 | -75.5 | 0 | 0 | 0 | 112 | R281 H286 E303 | R281-Y288 PolarHBondContact NH1-OH 2.9Å; R281-Y288 VanDerWaalsContact NH1-OH 3.08Å; H286-Y288 VanDerWaalsContact C-N 3.27Å; H286-Y288 PolarHBondContact O-N 3.22Å; Y288-E303 WeakPolarHBondContact CE1-OE2 3.47Å |
| 289 | P | 80.6 | Confident | 80.9 | Confident | 76 Ų | 76 | 51.7 Ų | 51.7 | 49% | 0.494 | 27% | 0.27 | S | S | . | . | S | Bend | cis | -67.1 | 156.2 | -16.7 | 28.9 | -33.6 | 0 | 0 | 0 | 111.9 | E303 M305 | P289-E303 WeakPolarHBondContact CB-O 3.18Å; P289-M305 HydrophobicContact CB-CG 3.93Å; P289-M305 HydrophobicContact CG-CG 3.8Å; P289-M305 WeakPolarHBondContact O-CG 3.34Å |
| 290 | A | 88.4 | Confident | 79.9 | Confident | 0 Ų | 0 | 52 Ų | 52 | 0% | 0 | 27% | 0.274 | C | S | . | . | B | Isolated β-bridge | trans | -100.8 | 162 | -174.2 | 0 | 0 | 0 | 0 | 0 | 113.1 | R281 V293 E303 Q304 M305 | R281-A290 HydrophobicContact CG-CB 3.84Å; A290-V293 HydrophobicContact CB-CG2 3.66Å; A290-E303 PolarHBondContact N-O 2.86Å; A290-Q304 WeakPolarHBondContact O-CA 3.39Å; A290-M305 WeakPolarHBondContact O-CB 3.42Å; A290-M305 WeakPolarHBondContact O-CG 3.39Å; A290-M305 PolarHBondContact O-N 3.15Å |
| 291 | V | 92.3 | Very high | 78.5 | Confident | 0 Ų | 0 | 54.8 Ų | 54.8 | 0% | 0 | 30% | 0.297 | C | S | . | . | S | Bend | trans | -67.8 | -43 | 174.2 | -179 | 0 | 0 | 0 | 0 | 110.2 | W282 R284 Q304 M305 Y308 T312 L326 I328 Y339 | W282-V291 HydrophobicContact CB-CB 4.17Å; W282-V291 WeakPolarHBondContact O-CA 3.35Å; W282-V291 VanDerWaalsContact O-CB 3.31Å; W282-V291 WeakPolarHBondContact O-CB 3.46Å; W282-V291 PolarHBondContact O-N 3.43Å; R284-V291 HydrophobicContact CG-CG2 3.68Å; V291-Q304 VanDerWaalsContact O-CG 3.23Å; V291-Q304 WeakPolarHBondContact O-CG 3.36Å; V291-Q304 PolarHBondContact O-NE2 2.82Å; V291-M305 HydrophobicContact CG2-SD 4.14Å; V291-Y308 HydrophobicContact CB-CD2 4.34Å; V291-Y308 HydrophobicContact CB-CE2 4.44Å; V291-Y308 HydrophobicContact CG1-CD1 3.76Å; V291-Y308 HydrophobicContact CG1-CD2 3.97Å; V291-Y308 HydrophobicContact CG1-CE1 3.94Å; V291-Y308 HydrophobicContact CG1-CE2 4.15Å; V291-Y308 HydrophobicContact CG1-CG 3.77Å; V291-Y308 HydrophobicContact CG2-CD2 4.24Å; V291-Y308 HydrophobicContact CG2-CE2 3.89Å; V291-T312 HydrophobicContact CG1-CG2 4.48Å; V291-L326 HydrophobicContact CG1-CD2 3.87Å; V291-I328 HydrophobicContact CG1-CD1 3.96Å; V291-Y339 HydrophobicContact CG1-CE1 4.28Å; V291-Y339 HydrophobicContact CG2-CD1 4.11Å; V291-Y339 HydrophobicContact CG2-CE1 3.95Å |
| 292 | H | 92.6 | Very high | 77.3 | Confident | 9 Ų | 9 | 58 Ų | 58 | 4% | 0.042 | 33% | 0.33 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -158.4 | 145.8 | 175.6 | -165.6 | 92.6 | 0 | 0 | 0 | 110.2 | R281 W282 H299 T312 L326 | R281-H292 WeakPolarHBondContact CA-O 3.23Å; W282-H292 PolarHBondContact N-O 2.81Å; W282-H292 PolarHBondContact O-N 3.13Å; H292-H299 AromaticContact CE1-CD2 3.42Å; H292-H299 PolarHBondContact CE1-CD2 3.02Å; H292-H299 VanDerWaalsContact CE1-CD2 3.42Å; H292-H299 AromaticContact CE1-NE2 3.96Å; H292-H299 AromaticContact ND1-CD2 3.95Å; H292-H299 AromaticContact NE2-CD2 3.83Å; H292-T312 WeakPolarHBondContact ND1-CB 3.44Å; H292-T312 PolarHBondContact ND1-OG1 3.43Å; H292-L326 HydrophobicContact CB-CD1 3.59Å; H292-L326 HydrophobicContact CB-CD2 3.81Å; H292-L326 HydrophobicContact CB-CG 4.36Å |
| 293 | V | 89.8 | Confident | 76.3 | Confident | 2 Ų | 2 | 61.5 Ų | 61.5 | 1% | 0.012 | 35% | 0.346 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.3 | 130.5 | 175.8 | -173.8 | 0 | 0 | 0 | 0 | 108.9 | E279 R281 A290 E303 | E279-V293 HydrophobicContact CG-CG1 4.09Å; R281-V293 HydrophobicContact CG-CG2 4.3Å; A290-V293 HydrophobicContact CB-CG2 3.66Å; V293-E303 HydrophobicContact CG2-CB 4.41Å |
| 294 | Y | 88.3 | Confident | 76 | Confident | 22 Ų | 22 | 61.8 Ų | 61.8 | 9% | 0.086 | 35% | 0.348 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.7 | 128.6 | 169.5 | 167.3 | -92.7 | 0 | 0 | 0 | 108.5 | Q276 M278 E279 V280 G297 L314 I319 | Q276-Y294 PolarHBondContact O-OH 3.04Å; M278-Y294 WeakPolarHBondContact O-CE1 3.16Å; E279-Y294 CarbonylContact C-O 3.57Å; E279-Y294 WeakPolarHBondContact CA-O 3.35Å; E279-Y294 WeakPolarHBondContact CG-O 3.24Å; V280-Y294 HydrophobicContact CB-CD1 4.18Å; V280-Y294 HydrophobicContact CG2-CD1 4.1Å; V280-Y294 PolarHBondContact N-O 2.86Å; V280-Y294 PolarHBondContact O-N 3.37Å; Y294-G297 PolarHBondContact OH-N 3.07Å; Y294-L314 HydrophobicContact CD2-CD2 3.41Å; Y294-L314 VanDerWaalsContact CD2-CD2 3.41Å; Y294-L314 HydrophobicContact CE2-CD2 4.28Å; Y294-L314 HydrophobicContact CG-CD2 3.77Å; Y294-I319 HydrophobicContact CE1-CD1 3.77Å; Y294-I319 HydrophobicContact CE2-CD1 4.25Å; Y294-I319 WeakPolarHBondContact OH-CD1 3.42Å |
| 295 | M | 82.9 | Confident | 75.9 | Confident | 82 Ų | 82 | 61.1 Ų | 61.1 | 40% | 0.404 | 35% | 0.347 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -145.3 | 128.7 | 176.4 | -163.8 | 179.6 | 95.8 | 0 | 0 | 109.8 | E279 G297 D298 V300 | E279-M295 HydrophobicContact CB-CG 4.49Å; E279-M295 HydrophobicContact CG-CB 4.46Å; E279-M295 HydrophobicContact CG-CG 4.43Å; M295-G297 PolarHBondContact O-N 3.09Å; M295-D298 PolarHBondContact N-O 2.89Å; M295-D298 VanDerWaalsContact N-O 3.16Å; M295-D298 PolarHBondContact O-N 3.35Å; M295-D298 VanDerWaalsContact O-O 3.09Å; M295-V300 HydrophobicContact CB-CG2 4.02Å |
| 296 | D | 69 | Low | 76.6 | Confident | 119 Ų | 119 | 60 Ų | 60 | 64% | 0.636 | 34% | 0.344 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 48.6 | 34.6 | 173.1 | -67.3 | -31.7 | 0 | 0 | 0 | 116 | ||
| 297 | G | 60.4 | Low | 77.6 | Confident | 49 Ų | 49 | 57.9 Ų | 57.9 | 51% | 0.505 | 33% | 0.334 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 88 | -1.5 | 178.4 | 0 | 0 | 0 | 0 | 0 | 115.3 | Y294 M295 | Y294-G297 PolarHBondContact OH-N 3.07Å; M295-G297 PolarHBondContact O-N 3.09Å |
| 298 | D | 61 | Low | 78.9 | Confident | 127 Ų | 127 | 54.9 Ų | 54.9 | 68% | 0.679 | 32% | 0.323 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -123.3 | 154.6 | -179.7 | -85.4 | -34.5 | 0 | 0 | 0 | 113.2 | M295 | M295-D298 PolarHBondContact N-O 2.89Å; M295-D298 VanDerWaalsContact N-O 3.16Å; M295-D298 PolarHBondContact O-N 3.35Å; M295-D298 VanDerWaalsContact O-O 3.09Å |
| 299 | H | 62.4 | Low | 79.6 | Confident | 89 Ų | 89 | 55.7 Ų | 55.7 | 41% | 0.412 | 33% | 0.325 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -85 | 128.7 | 173.4 | 169.1 | -108.6 | 0 | 0 | 0 | 110.6 | H292 A301 | H292-H299 AromaticContact CE1-CD2 3.42Å; H292-H299 PolarHBondContact CE1-CD2 3.02Å; H292-H299 VanDerWaalsContact CE1-CD2 3.42Å; H292-H299 AromaticContact CE1-NE2 3.96Å; H292-H299 AromaticContact ND1-CD2 3.95Å; H292-H299 AromaticContact NE2-CD2 3.83Å; H299-A301 PolarHBondContact O-N 3.14Å |
| 300 | V | 67.8 | Low | 80.1 | Confident | 42 Ų | 42 | 55.8 Ų | 55.8 | 26% | 0.255 | 34% | 0.339 | S | S | . | . | trans | -97.5 | 88.1 | 179.9 | -170.9 | 0 | 0 | 0 | 0 | 110.5 | M295 G302 E303 | M295-V300 HydrophobicContact CB-CG2 4.02Å; V300-G302 VanDerWaalsContact C-N 3.26Å; V300-G302 PolarHBondContact O-N 2.77Å; V300-E303 HydrophobicContact CG1-CG 4.2Å; V300-E303 PolarHBondContact O-N 2.8Å | ||
| 301 | A | 61.6 | Low | 80.4 | Confident | 59 Ų | 59 | 56.6 Ų | 56.6 | 49% | 0.488 | 34% | 0.343 | S | S | . | . | G | 310 helix | trans | -64.1 | -23.5 | -174.9 | 0 | 0 | 0 | 0 | 0 | 115.2 | H299 E303 | H299-A301 PolarHBondContact O-N 3.14Å; A301-E303 VanDerWaalsContact C-N 3.27Å; A301-E303 PolarHBondContact O-N 3.11Å |
| 302 | G | 66.9 | Low | 80.5 | Confident | 68 Ų | 68 | 57.6 Ų | 57.6 | 70% | 0.701 | 35% | 0.349 | S | S | * | . | G | 310 helix | trans | -67.2 | -24.2 | -177 | 0 | 0 | 0 | 0 | 0 | 114.5 | V300 | V300-G302 VanDerWaalsContact C-N 3.26Å; V300-G302 PolarHBondContact O-N 2.77Å |
| 303 | E | 74.4 | Confident | 80.5 | Confident | 73 Ų | 73 | 60.2 Ų | 60.2 | 34% | 0.341 | 37% | 0.365 | S | S | . | . | G | 310 helix | trans | -105.4 | 1.9 | -172.7 | -59.5 | -169.4 | 178.6 | 0 | 0 | 113.3 | Y288 P289 A290 V293 V300 A301 | Y288-E303 WeakPolarHBondContact CE1-OE2 3.47Å; P289-E303 WeakPolarHBondContact CB-O 3.18Å; A290-E303 PolarHBondContact N-O 2.86Å; V293-E303 HydrophobicContact CG2-CB 4.41Å; V300-E303 HydrophobicContact CG1-CG 4.2Å; V300-E303 PolarHBondContact O-N 2.8Å; A301-E303 VanDerWaalsContact C-N 3.27Å; A301-E303 PolarHBondContact O-N 3.11Å |
| 304 | Q | 85.8 | Confident | 80.7 | Confident | 7 Ų | 7 | 62 Ų | 62 | 3% | 0.033 | 37% | 0.374 | C | S | . | . | B | Isolated β-bridge | trans | -83.7 | 128.3 | -178 | -156.7 | -170.7 | 6.8 | 0 | 0 | 112.2 | A290 V291 A306 Y308 R309 T312 | A290-Q304 WeakPolarHBondContact O-CA 3.39Å; V291-Q304 VanDerWaalsContact O-CG 3.23Å; V291-Q304 WeakPolarHBondContact O-CG 3.36Å; V291-Q304 PolarHBondContact O-NE2 2.82Å; Q304-A306 PolarHBondContact O-N 3.25Å; Q304-Y308 PolarHBondContact NE2-O 2.95Å; Q304-R309 HydrophobicContact CB-CG 4.41Å; Q304-R309 PolarHBondContact O-NE 3.42Å; Q304-R309 VanDerWaalsContact O-NE 3.11Å; Q304-R309 PolarHBondContact O-NH2 2.73Å; Q304-R309 VanDerWaalsContact O-NH2 3.14Å; Q304-T312 PolarHBondContact NE2-OG1 3.4Å |
| 305 | M | 85.9 | Confident | 81 | Confident | 33 Ų | 33 | 63 Ų | 63 | 16% | 0.163 | 38% | 0.383 | C | S | . | . | trans | -47.8 | 133.2 | 167.4 | -75.9 | 177.6 | 87.6 | 0 | 0 | 111.2 | R284 P289 A290 V291 E307 Y308 | R284-M305 HydrophobicContact CG-SD 4.36Å; P289-M305 HydrophobicContact CB-CG 3.93Å; P289-M305 HydrophobicContact CG-CG 3.8Å; P289-M305 WeakPolarHBondContact O-CG 3.34Å; A290-M305 WeakPolarHBondContact O-CB 3.42Å; A290-M305 WeakPolarHBondContact O-CG 3.39Å; A290-M305 PolarHBondContact O-N 3.15Å; V291-M305 HydrophobicContact CG2-SD 4.14Å; M305-E307 VanDerWaalsContact C-N 3.3Å; M305-E307 VanDerWaalsContact CE-OE1 3.24Å; M305-E307 WeakPolarHBondContact CE-OE1 3.4Å; M305-E307 PolarHBondContact O-N 3.27Å; M305-Y308 HydrophobicContact CB-CD2 3.75Å; M305-Y308 HydrophobicContact CB-CE2 4.43Å; M305-Y308 HydrophobicContact CE-CE2 4.21Å; M305-Y308 PolarHBondContact O-N 2.81Å; M305-Y308 HydrophobicContact SD-CD2 4.12Å; M305-Y308 HydrophobicContact SD-CE2 3.93Å | ||
| 306 | A | 89.2 | Confident | 81.5 | Confident | 68 Ų | 68 | 61.4 Ų | 61.4 | 56% | 0.562 | 38% | 0.38 | S | S | * | . | G | 310 helix | trans | -61.7 | -37.1 | -169 | 0 | 0 | 0 | 0 | 0 | 112.9 | Q304 Y308 R309 | Q304-A306 PolarHBondContact O-N 3.25Å; A306-Y308 PolarHBondContact O-N 2.85Å; A306-R309 PolarHBondContact O-N 2.87Å |
| 307 | E | 90.5 | Very high | 82.5 | Confident | 98 Ų | 98 | 62.3 Ų | 62.3 | 46% | 0.458 | 38% | 0.384 | S | S | . | . | G | 310 helix | trans | -68.8 | -17.1 | -178.6 | 59.5 | -97.3 | -122 | 0 | 0 | 114.7 | M305 | M305-E307 VanDerWaalsContact C-N 3.3Å; M305-E307 VanDerWaalsContact CE-OE1 3.24Å; M305-E307 WeakPolarHBondContact CE-OE1 3.4Å; M305-E307 PolarHBondContact O-N 3.27Å |
| 308 | Y | 92.6 | Very high | 84.1 | Confident | 5 Ų | 5 | 60.7 Ų | 60.7 | 2% | 0.02 | 37% | 0.367 | C | S | . | . | G | 310 helix | trans | -103.6 | -6.5 | 179.4 | -65.1 | -75.9 | 0 | 0 | 0 | 113.4 | R284 V291 Q304 M305 A306 G310 R311 I328 Y339 | R284-Y308 PolarHBondContact NE-OH 2.77Å; V291-Y308 HydrophobicContact CB-CD2 4.34Å; V291-Y308 HydrophobicContact CB-CE2 4.44Å; V291-Y308 HydrophobicContact CG1-CD1 3.76Å; V291-Y308 HydrophobicContact CG1-CD2 3.97Å; V291-Y308 HydrophobicContact CG1-CE1 3.94Å; V291-Y308 HydrophobicContact CG1-CE2 4.15Å; V291-Y308 HydrophobicContact CG1-CG 3.77Å; V291-Y308 HydrophobicContact CG2-CD2 4.24Å; V291-Y308 HydrophobicContact CG2-CE2 3.89Å; Q304-Y308 PolarHBondContact NE2-O 2.95Å; M305-Y308 HydrophobicContact CB-CD2 3.75Å; M305-Y308 HydrophobicContact CB-CE2 4.43Å; M305-Y308 HydrophobicContact CE-CE2 4.21Å; M305-Y308 PolarHBondContact O-N 2.81Å; M305-Y308 HydrophobicContact SD-CD2 4.12Å; M305-Y308 HydrophobicContact SD-CE2 3.93Å; A306-Y308 PolarHBondContact O-N 2.85Å; Y308-G310 PolarHBondContact O-N 3.25Å; Y308-R311 PolarHBondContact O-N 3.06Å; Y308-I328 HydrophobicContact CD1-CD1 4.27Å; Y308-I328 HydrophobicContact CD1-CG2 3.93Å; Y308-I328 HydrophobicContact CE1-CD1 3.98Å; Y308-I328 HydrophobicContact CE1-CG2 4.18Å; Y308-Y339 PolarHBondContact OH-OH 3Å |
| 309 | R | 89.9 | Confident | 85.6 | Confident | 142 Ų | 142 | 55.3 Ų | 55.3 | 54% | 0.536 | 34% | 0.337 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -61.3 | 130.6 | 178.7 | -68.7 | 179.7 | -175.3 | -178.9 | -2 | 110.9 | Q304 A306 R311 | Q304-R309 HydrophobicContact CB-CG 4.41Å; Q304-R309 PolarHBondContact O-NE 3.42Å; Q304-R309 VanDerWaalsContact O-NE 3.11Å; Q304-R309 PolarHBondContact O-NH2 2.73Å; Q304-R309 VanDerWaalsContact O-NH2 3.14Å; A306-R309 PolarHBondContact O-N 2.87Å; R309-R311 PolarHBondContact O-N 2.88Å |
| 310 | G | 90 | Very high | 86.9 | Confident | 77 Ų | 77 | 55.3 Ų | 55.3 | 79% | 0.794 | 34% | 0.341 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 70.6 | 4.8 | -177.6 | 0 | 0 | 0 | 0 | 0 | 114.9 | Y308 | Y308-G310 PolarHBondContact O-N 3.25Š|
| 311 | R | 94.9 | Very high | 88.1 | Confident | 18 Ų | 18 | 57.1 Ų | 57.1 | 7% | 0.068 | 35% | 0.346 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -111.6 | -4.6 | 175.1 | -65.9 | 177.3 | 65 | -147 | -2.2 | 113 | Y308 R309 I328 L329 S330 D335 | Y308-R311 PolarHBondContact O-N 3.06Å; R309-R311 PolarHBondContact O-N 2.88Å; R311-I328 HydrophobicContact CB-CG2 4.46Å; R311-I328 CarbonylContact O-C 3.26Å; R311-I328 WeakPolarHBondContact O-CA 3.45Å; R311-L329 HydrophobicContact CB-CB 4.5Å; R311-L329 PolarHBondContact NE-O 3.06Å; R311-L329 PolarHBondContact NH2-O 3.42Å; R311-L329 WeakPolarHBondContact O-CG 3.3Å; R311-L329 PolarHBondContact O-N 3.39Å; R311-S330 PolarHBondContact NH2-O 3.3Å; R311-D335 IonicContact CZ-OD1 2.72Å; R311-D335 IonicContact CZ-OD2 3.69Å; R311-D335 IonicContact NH1-OD1 3.8Å; R311-D335 PolarHBondContact NH1-OD1 2.77Å; R311-D335 IonicContact NH1-OD2 3.7Å; R311-D335 IonicContact NH2-OD1 2.99Å; R311-D335 IonicContact NH2-OD2 2.71Å; R311-D335 PolarHBondContact NH2-OD2 2.86Å |
| 312 | T | 94.2 | Very high | 89.6 | Confident | 21 Ų | 21 | 54.3 Ų | 54.3 | 13% | 0.129 | 32% | 0.323 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.2 | 138.2 | -176.5 | 54.4 | 0 | 0 | 0 | 0 | 111.6 | V291 H292 Q304 L326 Q327 I328 | V291-T312 HydrophobicContact CG1-CG2 4.48Å; H292-T312 WeakPolarHBondContact ND1-CB 3.44Å; H292-T312 PolarHBondContact ND1-OG1 3.43Å; Q304-T312 PolarHBondContact NE2-OG1 3.4Å; T312-L326 HydrophobicContact CG2-CD1 4.08Å; T312-Q327 CarbonylContact C-O 3.52Å; T312-Q327 VanDerWaalsContact CA-O 3.29Å; T312-Q327 WeakPolarHBondContact CA-O 3.45Å; T312-I328 HydrophobicContact CG2-CG1 4.35Å |
| 313 | V | 93.6 | Very high | 91 | Very high | 64 Ų | 64 | 56 Ų | 56 | 39% | 0.388 | 31% | 0.308 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.3 | 128.9 | 173.5 | -179.5 | 0 | 0 | 0 | 0 | 107.9 | Q327 L329 | V313-Q327 HydrophobicContact CB-CB 4.24Å; V313-Q327 PolarHBondContact N-O 3.17Å; V313-Q327 WeakPolarHBondContact O-CB 3.25Å; V313-Q327 PolarHBondContact O-N 2.85Å; V313-L329 HydrophobicContact CG2-CD1 4.38Å |
| 314 | L | 94.1 | Very high | 92 | Very high | 38 Ų | 38 | 52.6 Ų | 52.6 | 20% | 0.199 | 29% | 0.292 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.7 | 125.5 | 175.8 | -172.3 | 70.4 | 0 | 0 | 0 | 109.9 | W282 Y294 L324 | W282-L314 HydrophobicContact CH2-CD1 3.72Å; W282-L314 HydrophobicContact CZ3-CD1 3.65Å; Y294-L314 HydrophobicContact CD2-CD2 3.41Å; Y294-L314 VanDerWaalsContact CD2-CD2 3.41Å; Y294-L314 HydrophobicContact CE2-CD2 4.28Å; Y294-L314 HydrophobicContact CG-CD2 3.77Å; L314-L324 HydrophobicContact CD1-CB 4.49Å; L314-L324 HydrophobicContact CD1-CD2 4.17Å; L314-L324 HydrophobicContact CD2-CD2 4.22Å |
| 315 | V | 94.8 | Very high | 92.5 | Very high | 44 Ų | 44 | 53.1 Ų | 53.1 | 27% | 0.267 | 30% | 0.296 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.4 | 113.6 | 169.7 | -177 | 0 | 0 | 0 | 0 | 107.8 | T325 Q327 | V315-T325 PolarHBondContact N-O 3.46Å; V315-T325 PolarHBondContact O-N 3.11Å; V315-Q327 HydrophobicContact CG2-CG 3.95Å |
| 316 | S | 92.1 | Very high | 93 | Very high | 49 Ų | 49 | 51.5 Ų | 51.5 | 34% | 0.343 | 29% | 0.288 | S | S | . | . | trans | -127.4 | 24.8 | -171.6 | 56.3 | 0 | 0 | 0 | 0 | 113.2 | A318 I319 | S316-A318 VanDerWaalsContact C-N 3.25Å; S316-A318 PolarHBondContact O-N 3.41Å; S316-I319 WeakPolarHBondContact O-CB 3.46Å; S316-I319 WeakPolarHBondContact O-CG2 3.46Å; S316-I319 PolarHBondContact O-N 3.47Å | ||
| 317 | D | 91.3 | Very high | 93.4 | Very high | 137 Ų | 137 | 50.5 Ų | 50.5 | 73% | 0.733 | 27% | 0.272 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -62.3 | -28.1 | -179.9 | 62.8 | -29.5 | 0 | 0 | 0 | 114 | ||
| 318 | A | 93.3 | Very high | 93.8 | Very high | 16 Ų | 16 | 45.9 Ų | 45.9 | 13% | 0.132 | 25% | 0.25 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -113.8 | 29.7 | 177.7 | 0 | 0 | 0 | 0 | 0 | 113.1 | S316 D320 E321 G322 R323 | S316-A318 VanDerWaalsContact C-N 3.25Å; S316-A318 PolarHBondContact O-N 3.41Å; A318-D320 VanDerWaalsContact C-N 3.27Å; A318-D320 PolarHBondContact O-N 3.06Å; A318-E321 PolarHBondContact O-N 2.82Å; A318-E321 VanDerWaalsContact O-N 3.1Å; A318-G322 PolarHBondContact O-N 2.96Å; A318-R323 CarbonylContact C-O 3.53Å; A318-R323 HydrophobicContact CB-CB 4.03Å; A318-R323 PolarHBondContact O-N 3.15Å |
| 319 | I | 91.9 | Very high | 94 | Very high | 13 Ų | 13 | 48.2 Ų | 48.2 | 7% | 0.067 | 26% | 0.263 | C | S | . | . | G | 310 helix | trans | -65.1 | -29.2 | -178.9 | -168.9 | 166.6 | 0 | 0 | 0 | 113.1 | A275 Q276 Y294 S316 E321 G322 L324 | A275-I319 HydrophobicContact CB-CG1 4.11Å; A275-I319 PolarHBondContact N-O 3.42Å; Q276-I319 HydrophobicContact CG-CB 4.38Å; Q276-I319 HydrophobicContact CG-CD1 4.11Å; Q276-I319 HydrophobicContact CG-CG1 3.98Å; Q276-I319 HydrophobicContact CG-CG2 3.58Å; Y294-I319 HydrophobicContact CE1-CD1 3.77Å; Y294-I319 HydrophobicContact CE2-CD1 4.25Å; Y294-I319 WeakPolarHBondContact OH-CD1 3.42Å; S316-I319 WeakPolarHBondContact O-CB 3.46Å; S316-I319 WeakPolarHBondContact O-CG2 3.46Å; S316-I319 PolarHBondContact O-N 3.47Å; I319-E321 PolarHBondContact O-N 2.87Å; I319-G322 PolarHBondContact O-N 3.04Å; I319-L324 HydrophobicContact CD1-CD2 3.93Å; I319-L324 HydrophobicContact CD1-CG 4.44Å; I319-L324 HydrophobicContact CG1-CD1 4.16Å; I319-L324 HydrophobicContact CG1-CD2 4.27Å; I319-L324 HydrophobicContact CG1-CG 4.25Å |
| 320 | D | 91.1 | Very high | 94.3 | Very high | 90 Ų | 90 | 44.5 Ų | 44.5 | 48% | 0.481 | 26% | 0.259 | S | S | . | . | G | 310 helix | trans | -68.5 | -22.5 | 174.5 | 64.2 | -49.3 | 0 | 0 | 0 | 112.6 | N274 A318 | N274-D320 VanDerWaalsContact CA-O 3.23Å; N274-D320 WeakPolarHBondContact CA-O 3.5Å; N274-D320 PolarHBondContact N-O 2.85Å; A318-D320 VanDerWaalsContact C-N 3.27Å; A318-D320 PolarHBondContact O-N 3.06Å |
| 321 | E | 92.7 | Very high | 94.7 | Very high | 79 Ų | 79 | 41 Ų | 41 | 37% | 0.369 | 22% | 0.222 | S | C | . | . | G | 310 helix | trans | -93.1 | -2.4 | 169.5 | -58.3 | -163.2 | 145.6 | 0 | 0 | 113.4 | K272 A273 A318 I319 | K272-E321 HydrophobicContact CD-CB 4.14Å; K272-E321 HydrophobicContact CD-CG 4.39Å; K272-E321 IonicContact NZ-OE1 2.76Å; K272-E321 PolarHBondContact NZ-OE1 3Å; K272-E321 IonicContact NZ-OE2 3.29Å; K272-E321 PolarHBondContact NZ-OE2 3.21Å; A273-E321 PolarHBondContact N-O 2.94Å; A273-E321 CarbonylContact O-C 3.59Å; A273-E321 VanDerWaalsContact O-C 3.26Å; A318-E321 PolarHBondContact O-N 2.82Å; A318-E321 VanDerWaalsContact O-N 3.1Å; I319-E321 PolarHBondContact O-N 2.87Å |
| 322 | G | 91.9 | Very high | 94.7 | Very high | 0 Ų | 0 | 45.7 Ų | 45.7 | 0% | 0 | 24% | 0.24 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 80 | 24.4 | 178.3 | 0 | 0 | 0 | 0 | 0 | 113.7 | Y268 L269 A273 A318 I319 | Y268-G322 CarbonylContact C-O 3.37Å; Y268-G322 WeakPolarHBondContact CA-O 3.22Å; L269-G322 PolarHBondContact N-O 3.25Å; A273-G322 WeakPolarHBondContact O-CA 3.45Å; A273-G322 PolarHBondContact O-N 3.47Å; A318-G322 PolarHBondContact O-N 2.96Å; I319-G322 PolarHBondContact O-N 3.04Å |
| 323 | R | 95.8 | Very high | 94.8 | Very high | 105 Ų | 105 | 45.3 Ų | 45.3 | 40% | 0.396 | 24% | 0.238 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.3 | 125.8 | 174.9 | 175.5 | -176.9 | -67.1 | -91 | -5.8 | 109.6 | T266 A318 | T266-R323 HydrophobicContact CG2-CG 4.24Å; A318-R323 CarbonylContact C-O 3.53Å; A318-R323 HydrophobicContact CB-CB 4.03Å; A318-R323 PolarHBondContact O-N 3.15Å |
| 324 | L | 95.9 | Very high | 94.8 | Very high | 1 Ų | 1 | 46.1 Ų | 46.1 | 1% | 0.005 | 25% | 0.246 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -132.7 | 145.8 | 172.5 | -63.7 | 92.4 | 0 | 0 | 0 | 110.4 | C267 A275 V280 W282 L314 I319 F343 | C267-L324 PolarHBondContact N-O 2.83Å; C267-L324 PolarHBondContact O-N 3.21Å; C267-L324 VanDerWaalsContact O-O 3.09Å; A275-L324 HydrophobicContact CB-CD1 3.98Å; V280-L324 HydrophobicContact CB-CD2 4.19Å; V280-L324 HydrophobicContact CG1-CD1 4.41Å; V280-L324 HydrophobicContact CG1-CD2 4.25Å; V280-L324 HydrophobicContact CG2-CD1 4.07Å; V280-L324 HydrophobicContact CG2-CD2 4.09Å; W282-L324 HydrophobicContact CH2-CB 3.75Å; W282-L324 HydrophobicContact CZ2-CB 4.36Å; L314-L324 HydrophobicContact CD1-CB 4.49Å; L314-L324 HydrophobicContact CD1-CD2 4.17Å; L314-L324 HydrophobicContact CD2-CD2 4.22Å; I319-L324 HydrophobicContact CD1-CD2 3.93Å; I319-L324 HydrophobicContact CD1-CG 4.44Å; I319-L324 HydrophobicContact CG1-CD1 4.16Å; I319-L324 HydrophobicContact CG1-CD2 4.27Å; I319-L324 HydrophobicContact CG1-CG 4.25Å; L324-F343 HydrophobicContact CD1-CE1 3.43Å; L324-F343 VanDerWaalsContact CD1-CE1 3.43Å; L324-F343 HydrophobicContact CD1-CZ 3.59Å |
| 325 | T | 97.1 | Very high | 94.9 | Very high | 17 Ų | 17 | 44.3 Ų | 44.3 | 10% | 0.104 | 24% | 0.237 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.8 | 120 | 175.7 | -59.5 | 0 | 0 | 0 | 0 | 109.8 | Q264 T266 V315 Q327 | Q264-T325 HydrophobicContact CB-CG2 3.98Å; T266-T325 WeakPolarHBondContact CB-OG1 3.44Å; T266-T325 VanDerWaalsContact CG2-OG1 3.3Å; T266-T325 WeakPolarHBondContact CG2-OG1 3.46Å; T266-T325 VanDerWaalsContact OG1-CG2 3.26Å; T266-T325 WeakPolarHBondContact OG1-CG2 3.49Å; T266-T325 PolarHBondContact OG1-OG1 3.29Å; V315-T325 PolarHBondContact N-O 3.46Å; V315-T325 PolarHBondContact O-N 3.11Å; T325-Q327 HydrophobicContact CG2-CG 4.42Å |
| 326 | L | 97 | Very high | 94.9 | Very high | 0 Ų | 0 | 44.4 Ų | 44.4 | 0% | 0 | 24% | 0.235 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -83.8 | 121.9 | 166.8 | 175 | 64.8 | 0 | 0 | 0 | 109.3 | L265 W282 V291 H292 T312 I328 | L265-L326 HydrophobicContact CB-CB 4.32Å; L265-L326 HydrophobicContact CD1-CD2 4.47Å; L265-L326 PolarHBondContact N-O 3.25Å; L265-L326 PolarHBondContact O-N 3.08Å; W282-L326 HydrophobicContact CB-CD2 3.53Å; W282-L326 HydrophobicContact CD2-CB 3.59Å; W282-L326 HydrophobicContact CD2-CD2 3.77Å; W282-L326 HydrophobicContact CD2-CG 4.28Å; W282-L326 VanDerWaalsContact CE2-CB 3.5Å; W282-L326 HydrophobicContact CE3-CB 3.97Å; W282-L326 HydrophobicContact CE3-CD2 4.21Å; W282-L326 HydrophobicContact CG-CB 4.02Å; W282-L326 HydrophobicContact CG-CD2 3.45Å; W282-L326 VanDerWaalsContact CG-CD2 3.45Å; W282-L326 HydrophobicContact CG-CG 4.38Å; W282-L326 HydrophobicContact CH2-CB 4.2Å; W282-L326 HydrophobicContact CZ2-CB 3.83Å; W282-L326 HydrophobicContact CZ3-CB 4.26Å; V291-L326 HydrophobicContact CG1-CD2 3.87Å; H292-L326 HydrophobicContact CB-CD1 3.59Å; H292-L326 HydrophobicContact CB-CD2 3.81Å; H292-L326 HydrophobicContact CB-CG 4.36Å; T312-L326 HydrophobicContact CG2-CD1 4.08Å; L326-I328 HydrophobicContact CD2-CD1 4.41Å; L326-I328 HydrophobicContact CD2-CG1 4.25Å; L326-I328 HydrophobicContact CG-CG1 4.2Å |
| 327 | Q | 97.6 | Very high | 95 | Very high | 47 Ų | 47 | 42.8 Ų | 42.8 | 22% | 0.22 | 23% | 0.226 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -95.6 | 130.8 | 168.7 | -64.9 | -175.2 | -26.8 | 0 | 0 | 110.2 | I263 Q264 T312 V313 V315 T325 | I263-Q327 CarbonylContact O-C 3.52Å; I263-Q327 WeakPolarHBondContact O-CA 3.35Å; Q264-Q327 HydrophobicContact CG-CG 4.32Å; T312-Q327 CarbonylContact C-O 3.52Å; T312-Q327 VanDerWaalsContact CA-O 3.29Å; T312-Q327 WeakPolarHBondContact CA-O 3.45Å; V313-Q327 HydrophobicContact CB-CB 4.24Å; V313-Q327 PolarHBondContact N-O 3.17Å; V313-Q327 WeakPolarHBondContact O-CB 3.25Å; V313-Q327 PolarHBondContact O-N 2.85Å; V315-Q327 HydrophobicContact CG2-CG 3.95Å; T325-Q327 HydrophobicContact CG2-CG 4.42Å |
| 328 | I | 97.8 | Very high | 95.2 | Very high | 0 Ų | 0 | 41.8 Ų | 41.8 | 0% | 0 | 22% | 0.217 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.2 | 116.9 | 171.7 | -49.6 | 171.2 | 0 | 0 | 0 | 108.1 | I263 L265 V291 Y308 R311 T312 L326 Y339 | I263-I328 HydrophobicContact CB-CB 4.09Å; I263-I328 HydrophobicContact CD1-CB 4.04Å; I263-I328 HydrophobicContact CD1-CG2 4.3Å; I263-I328 PolarHBondContact N-O 2.69Å; I263-I328 PolarHBondContact O-N 2.83Å; L265-I328 HydrophobicContact CD1-CD1 3.94Å; V291-I328 HydrophobicContact CG1-CD1 3.96Å; Y308-I328 HydrophobicContact CD1-CD1 4.27Å; Y308-I328 HydrophobicContact CD1-CG2 3.93Å; Y308-I328 HydrophobicContact CE1-CD1 3.98Å; Y308-I328 HydrophobicContact CE1-CG2 4.18Å; R311-I328 HydrophobicContact CB-CG2 4.46Å; R311-I328 CarbonylContact O-C 3.26Å; R311-I328 WeakPolarHBondContact O-CA 3.45Å; T312-I328 HydrophobicContact CG2-CG1 4.35Å; L326-I328 HydrophobicContact CD2-CD1 4.41Å; L326-I328 HydrophobicContact CD2-CG1 4.25Å; L326-I328 HydrophobicContact CG-CG1 4.2Å; I328-Y339 HydrophobicContact CD1-CE1 3.93Å |
| 329 | L | 97.5 | Very high | 95.3 | Very high | 55 Ų | 55 | 41 Ų | 41 | 29% | 0.288 | 21% | 0.211 | S | C | . | . | S | Bend | trans | -74 | 137.2 | -173.6 | -59 | 178.5 | 0 | 0 | 0 | 111.9 | D262 R311 V313 | D262-L329 VanDerWaalsContact OD1-CA 3.29Å; D262-L329 WeakPolarHBondContact OD1-CA 3.46Å; R311-L329 HydrophobicContact CB-CB 4.5Å; R311-L329 PolarHBondContact NE-O 3.06Å; R311-L329 PolarHBondContact NH2-O 3.42Å; R311-L329 WeakPolarHBondContact O-CG 3.3Å; R311-L329 PolarHBondContact O-N 3.39Å; V313-L329 HydrophobicContact CG2-CD1 4.38Å |
| 330 | S | 96.2 | Very high | 95.4 | Very high | 64 Ų | 64 | 43.1 Ų | 43.1 | 45% | 0.448 | 22% | 0.218 | S | C | . | . | S | Bend | trans | 51.1 | 81.6 | 174.1 | -53.2 | 0 | 0 | 0 | 0 | 113.4 | D262 R311 | D262-S330 PolarHBondContact OD1-N 2.96Å; R311-S330 PolarHBondContact NH2-O 3.3Å |
| 331 | A | 97.2 | Very high | 95.6 | Very high | 3 Ų | 3 | 38.9 Ų | 38.9 | 3% | 0.025 | 20% | 0.195 | C | C | . | . | trans | -52.2 | 135.4 | -177.1 | 0 | 0 | 0 | 0 | 0 | 112.6 | V257 G260 E261 I263 V358 | V257-A331 HydrophobicContact CG1-CB 3.85Å; G260-A331 PolarHBondContact N-O 3.32Å; E261-A331 WeakPolarHBondContact O-CB 3Å; E261-A331 PolarHBondContact O-N 2.82Å; I263-A331 HydrophobicContact CD1-CB 3.79Å; I263-A331 HydrophobicContact CG1-CB 3.8Å; A331-V358 HydrophobicContact CB-CG1 4.45Å | ||
| 332 | R | 95.7 | Very high | 95.5 | Very high | 116 Ų | 116 | 35.2 Ų | 35.2 | 44% | 0.438 | 18% | 0.179 | S | C | . | . | trans | -117.2 | 153.1 | 176.8 | -60.5 | 174 | -176.1 | 174.5 | -3.1 | 109.6 | S334 D335 | R332-S334 PolarHBondContact O-N 3.31Å; R332-S334 VanDerWaalsContact O-N 3.11Å; R332-D335 WeakPolarHBondContact CB-OD2 3.25Å; R332-D335 PolarHBondContact N-OD2 2.98Å; R332-D335 WeakPolarHBondContact O-CB 3.48Å; R332-D335 PolarHBondContact O-N 2.84Å | ||
| 333 | P | 95.4 | Very high | 95.4 | Very high | 14 Ų | 14 | 35.2 Ų | 35.2 | 9% | 0.091 | 18% | 0.179 | C | C | . | . | G | 310 helix | trans | -52 | -32.9 | 171.9 | -35 | 43.1 | 0 | 0 | 0 | 114.6 | V259 D335 D336 F387 H414 L416 | V259-P333 HydrophobicContact CG2-CG 4.15Å; P333-D335 PolarHBondContact O-N 2.81Å; P333-D336 WeakPolarHBondContact O-CB 3.26Å; P333-D336 PolarHBondContact O-N 2.84Å; P333-F387 HydrophobicContact CB-CD1 4.08Å; P333-F387 HydrophobicContact CB-CD2 3.71Å; P333-F387 HydrophobicContact CB-CE1 4.05Å; P333-F387 HydrophobicContact CB-CE2 3.65Å; P333-F387 HydrophobicContact CB-CG 3.93Å; P333-F387 HydrophobicContact CB-CZ 3.82Å; P333-F387 HydrophobicContact CG-CB 4.46Å; P333-F387 HydrophobicContact CG-CD1 4.38Å; P333-F387 HydrophobicContact CG-CD2 4.22Å; P333-F387 HydrophobicContact CG-CG 4.09Å; P333-F387 WeakPolarHBondContact O-CZ 2.8Å; P333-H414 WeakPolarHBondContact CD-O 3.41Å; P333-H414 WeakPolarHBondContact CG-O 3.36Å; P333-L416 HydrophobicContact CG-CD2 3.77Å; P333-L416 HydrophobicContact CG-CG 4.25Å |
| 334 | S | 94.2 | Very high | 94.9 | Very high | 80 Ų | 80 | 31.1 Ų | 31.1 | 56% | 0.559 | 16% | 0.164 | S | C | * | . | G | 310 helix | trans | -66.9 | -19.3 | 175.9 | 58 | 0 | 0 | 0 | 0 | 114.5 | R284 R332 D336 | R284-S334 PolarHBondContact NH2-O 2.68Å; R332-S334 PolarHBondContact O-N 3.31Å; R332-S334 VanDerWaalsContact O-N 3.11Å; S334-D336 VanDerWaalsContact C-N 3.3Å |
| 335 | D | 96.1 | Very high | 93.9 | Very high | 1 Ų | 1 | 34 Ų | 34 | 1% | 0.005 | 18% | 0.177 | C | C | . | . | G | 310 helix | trans | -79 | -16.9 | 179.3 | -55.9 | -34.7 | 0 | 0 | 0 | 111.1 | I263 R284 R311 R332 P333 Y339 L356 V358 | I263-D335 HydrophobicContact CD1-CB 3.95Å; R284-D335 PolarHBondContact NH1-O 3.09Å; R284-D335 PolarHBondContact NH2-O 3.3Å; R311-D335 IonicContact CZ-OD1 2.72Å; R311-D335 IonicContact CZ-OD2 3.69Å; R311-D335 IonicContact NH1-OD1 3.8Å; R311-D335 PolarHBondContact NH1-OD1 2.77Å; R311-D335 IonicContact NH1-OD2 3.7Å; R311-D335 IonicContact NH2-OD1 2.99Å; R311-D335 IonicContact NH2-OD2 2.71Å; R311-D335 PolarHBondContact NH2-OD2 2.86Å; R332-D335 WeakPolarHBondContact CB-OD2 3.25Å; R332-D335 PolarHBondContact N-OD2 2.98Å; R332-D335 WeakPolarHBondContact O-CB 3.48Å; R332-D335 PolarHBondContact O-N 2.84Å; P333-D335 PolarHBondContact O-N 2.81Å; D335-Y339 WeakPolarHBondContact O-CE2 3.47Å; D335-Y339 PolarHBondContact O-OH 3.25Å; D335-L356 HydrophobicContact CB-CD2 4.36Å; D335-L356 WeakPolarHBondContact O-CD2 3.41Å; D335-V358 HydrophobicContact CB-CG2 4.4Å |
| 336 | D | 95.6 | Very high | 92.5 | Very high | 45 Ų | 45 | 38.4 Ų | 38.4 | 24% | 0.241 | 20% | 0.199 | C | C | . | . | trans | -55.5 | 141.9 | 178.6 | -170.5 | -86.1 | 0 | 0 | 0 | 112.5 | R284 P333 S334 K357 V358 F387 | R284-D336 PolarHBondContact NH1-O 3.48Å; R284-D336 VanDerWaalsContact NH1-O 3.15Å; R284-D336 PolarHBondContact NH2-O 2.83Å; P333-D336 WeakPolarHBondContact O-CB 3.26Å; P333-D336 PolarHBondContact O-N 2.84Å; S334-D336 VanDerWaalsContact C-N 3.3Å; D336-K357 WeakPolarHBondContact OD2-CA 3.45Å; D336-V358 HydrophobicContact CB-CB 4.12Å; D336-V358 HydrophobicContact CB-CG2 4.17Å; D336-V358 PolarHBondContact OD2-N 3.4Å; D336-F387 HydrophobicContact CB-CE1 3.81Å; D336-F387 HydrophobicContact CB-CZ 4Å | ||
| 337 | G | 94.3 | Very high | 90.7 | Very high | 15 Ų | 15 | 45 Ų | 45 | 16% | 0.155 | 23% | 0.234 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 122.6 | -162.3 | 171.9 | 0 | 0 | 0 | 0 | 0 | 113.3 | Y339 L356 | G337-Y339 WeakPolarHBondContact O-CD2 3.47Å; G337-L356 PolarHBondContact N-O 2.85Å; G337-L356 WeakPolarHBondContact O-CB 3.48Å; G337-L356 PolarHBondContact O-N 2.9Å |
| 338 | Q | 94.5 | Very high | 89.1 | Confident | 116 Ų | 116 | 44 Ų | 44 | 54% | 0.542 | 23% | 0.232 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -79.7 | 143.5 | -174.1 | -164.1 | 173.8 | 20.3 | 0 | 0 | 111.8 | R284 S353 L354 | R284-Q338 PolarHBondContact NH1-O 3.16Å; R284-Q338 VanDerWaalsContact NH1-O 3.13Å; Q338-S353 PolarHBondContact NE2-OG 3.26Å; Q338-L354 WeakPolarHBondContact CA-O 3.41Å |
| 339 | Y | 96.1 | Very high | 88 | Confident | 0 Ų | 0 | 46.4 Ų | 46.4 | 0% | 0 | 24% | 0.241 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.9 | 156.7 | 168.6 | -69 | -105.5 | 0 | 0 | 0 | 108.6 | L265 D283 R284 V291 Y308 I328 D335 G337 S353 L354 L356 | L265-Y339 HydrophobicContact CD1-CD1 3.43Å; L265-Y339 VanDerWaalsContact CD1-CD1 3.43Å; L265-Y339 HydrophobicContact CD1-CD2 4.18Å; L265-Y339 HydrophobicContact CD1-CE1 3.78Å; L265-Y339 HydrophobicContact CD1-CG 3.66Å; D283-Y339 CarbonylContact O-C 3.52Å; D283-Y339 WeakPolarHBondContact O-CA 3.12Å; R284-Y339 VanDerWaalsContact CD-CE1 3.45Å; R284-Y339 HydrophobicContact CG-CE1 4.39Å; V291-Y339 HydrophobicContact CG1-CE1 4.28Å; V291-Y339 HydrophobicContact CG2-CD1 4.11Å; V291-Y339 HydrophobicContact CG2-CE1 3.95Å; Y308-Y339 PolarHBondContact OH-OH 3Å; I328-Y339 HydrophobicContact CD1-CE1 3.93Å; D335-Y339 WeakPolarHBondContact O-CE2 3.47Å; D335-Y339 PolarHBondContact O-OH 3.25Å; G337-Y339 WeakPolarHBondContact O-CD2 3.47Å; Y339-S353 WeakPolarHBondContact O-CA 3.32Å; Y339-L354 PolarHBondContact N-O 3.45Å; Y339-L354 PolarHBondContact O-N 3.05Å; Y339-L356 HydrophobicContact CD2-CB 3.96Å; Y339-L356 HydrophobicContact CE2-CB 3.76Å; Y339-L356 HydrophobicContact CE2-CD2 3.63Å; Y339-L356 HydrophobicContact CE2-CG 4.35Å |
| 340 | R | 94.6 | Very high | 87.3 | Confident | 58 Ų | 58 | 45.7 Ų | 45.7 | 22% | 0.219 | 24% | 0.236 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.4 | 141.7 | 165.3 | -67 | 179.1 | -67 | -150.9 | -4.6 | 109.5 | W282 D283 S285 L342 A352 | W282-R340 CarbonylContact C-O 3.51Å; W282-R340 VanDerWaalsContact CA-O 3.22Å; W282-R340 WeakPolarHBondContact CA-O 3.3Å; D283-R340 PolarHBondContact N-O 2.71Å; D283-R340 PolarHBondContact O-N 3.01Å; D283-R340 IonicContact OD1-CZ 3.83Å; D283-R340 VanDerWaalsContact OD1-CZ 3.3Å; D283-R340 IonicContact OD1-NE 3.66Å; D283-R340 PolarHBondContact OD1-NE 3.22Å; D283-R340 IonicContact OD1-NH2 3.99Å; D283-R340 PolarHBondContact OD1-NH2 3.49Å; D283-R340 IonicContact OD2-NE 2.87Å; D283-R340 IonicContact OD2-NH2 2.77Å; S285-R340 PolarHBondContact O-NH2 3.09Å; R340-L342 HydrophobicContact CB-CD1 3.87Å; R340-A352 WeakPolarHBondContact CA-O 3.38Å |
| 341 | C | 93.8 | Very high | 87 | Confident | 0 Ų | 0 | 46.1 Ų | 46.1 | 0% | 0 | 23% | 0.231 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.9 | 132.7 | 164.8 | 62.2 | 0 | 0 | 0 | 0 | 108.8 | C267 R281 W282 E351 A352 L354 | C267-C341 HydrophobicContact CB-CB 3.7Å; C267-C341 WeakPolarHBondContact CB-SG 3.29Å; C267-C341 WeakPolarHBondContact SG-CB 3.42Å; C267-C341 CovalentContact SG-SG 2Å; C267-C341 PolarHBondContact SG-SG 2.92Å; R281-C341 CarbonylContact O-C 3.57Å; R281-C341 VanDerWaalsContact O-CA 3.28Å; R281-C341 WeakPolarHBondContact O-CA 3.31Å; W282-C341 HydrophobicContact CG-CB 4.46Å; C341-E351 CarbonylContact O-C 3.55Å; C341-E351 WeakPolarHBondContact O-CA 3.31Å; C341-E351 WeakPolarHBondContact O-CB 3.46Å; C341-A352 PolarHBondContact N-O 3.09Å; C341-A352 PolarHBondContact O-N 3.49Å; C341-L354 HydrophobicContact CB-CD1 4.04Å |
| 342 | L | 91 | Very high | 86.7 | Confident | 3 Ų | 3 | 46.7 Ų | 46.7 | 2% | 0.016 | 24% | 0.236 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.4 | 135 | -174 | -59.8 | 86.7 | 0 | 0 | 0 | 108.3 | V280 R281 D283 R340 Y349 Q350 E351 | V280-L342 VanDerWaalsContact CA-O 3.32Å; V280-L342 WeakPolarHBondContact CA-O 3.29Å; R281-L342 HydrophobicContact CB-CB 4.49Å; R281-L342 HydrophobicContact CG-CD1 4.41Å; R281-L342 PolarHBondContact N-O 2.8Å; R281-L342 PolarHBondContact O-N 2.89Å; D283-L342 WeakPolarHBondContact OD2-CD1 3.39Å; R340-L342 HydrophobicContact CB-CD1 3.87Å; L342-Y349 HydrophobicContact CD2-CD2 3.88Å; L342-Y349 HydrophobicContact CD2-CE2 3.95Å; L342-Q350 WeakPolarHBondContact CA-O 3.3Å; L342-E351 HydrophobicContact CG-CB 3.95Å |
| 343 | F | 90.1 | Very high | 86.6 | Confident | 0 Ų | 0 | 44 Ų | 44 | 0% | 0 | 24% | 0.235 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.8 | 118.5 | 171.7 | -74.7 | -116.2 | 0 | 0 | 0 | 107.1 | V248 C267 L269 A275 M278 V280 L324 Y349 Q350 | V248-F343 HydrophobicContact CB-CD2 4.35Å; V248-F343 HydrophobicContact CG1-CD2 3.76Å; V248-F343 HydrophobicContact CG1-CE2 3.91Å; V248-F343 HydrophobicContact CG2-CB 3.82Å; V248-F343 HydrophobicContact CG2-CD2 3.54Å; V248-F343 HydrophobicContact CG2-CE2 4.34Å; V248-F343 HydrophobicContact CG2-CG 3.86Å; C267-F343 HydrophobicContact CB-CE2 3.85Å; C267-F343 HydrophobicContact CB-CZ 4.4Å; L269-F343 HydrophobicContact CD1-CD1 3.96Å; L269-F343 HydrophobicContact CD1-CE1 4.21Å; L269-F343 HydrophobicContact CD2-CB 4.16Å; L269-F343 HydrophobicContact CD2-CD1 3.75Å; L269-F343 HydrophobicContact CD2-CE1 4.23Å; L269-F343 HydrophobicContact CD2-CG 3.91Å; L269-F343 HydrophobicContact CG-CD1 3.83Å; L269-F343 HydrophobicContact CG-CE1 3.89Å; L269-F343 HydrophobicContact CG-CG 4.46Å; A275-F343 HydrophobicContact CB-CD1 4.07Å; A275-F343 HydrophobicContact CB-CE1 3.87Å; M278-F343 HydrophobicContact SD-CB 4.47Å; M278-F343 HydrophobicContact SD-CD1 4.15Å; V280-F343 HydrophobicContact CG1-CD1 4.48Å; V280-F343 HydrophobicContact CG1-CD2 4.16Å; V280-F343 HydrophobicContact CG1-CE1 4.28Å; V280-F343 HydrophobicContact CG1-CE2 3.91Å; V280-F343 HydrophobicContact CG1-CG 4.44Å; V280-F343 HydrophobicContact CG1-CZ 3.98Å; V280-F343 HydrophobicContact CG2-CD1 3.83Å; V280-F343 HydrophobicContact CG2-CE1 3.94Å; V280-F343 HydrophobicContact CG2-CG 4.3Å; V280-F343 HydrophobicContact CG2-CZ 4.47Å; L324-F343 HydrophobicContact CD1-CE1 3.43Å; L324-F343 VanDerWaalsContact CD1-CE1 3.43Å; L324-F343 HydrophobicContact CD1-CZ 3.59Å; F343-Y349 CarbonylContact O-C 3.28Å; F343-Y349 WeakPolarHBondContact O-CA 3.28Å; F343-Y349 WeakPolarHBondContact O-CB 3.2Å; F343-Q350 PolarHBondContact N-O 2.97Å; F343-Q350 PolarHBondContact O-N 2.84Å |
| 344 | E | 84.4 | Confident | 86.6 | Confident | 19 Ų | 19 | 43.4 Ų | 43.4 | 9% | 0.089 | 23% | 0.231 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.5 | 137.4 | -173.5 | -178.2 | 164.3 | 177.6 | 0 | 0 | 111 | M278 E279 R281 R287 V348 | M278-E344 CarbonylContact C-O 3.54Å; M278-E344 WeakPolarHBondContact CA-O 3.34Å; M278-E344 WeakPolarHBondContact CB-O 3.39Å; E279-E344 HydrophobicContact CB-CB 4.27Å; E279-E344 PolarHBondContact N-O 2.81Å; E279-E344 PolarHBondContact O-N 3.02Å; R281-E344 IonicContact NH2-OE2 2.68Å; R281-E344 PolarHBondContact NH2-OE2 2.8Å; R281-E344 VanDerWaalsContact NH2-OE2 3.16Å; R287-E344 IonicContact CZ-OE2 2.73Å; R287-E344 VanDerWaalsContact CZ-OE2 3.29Å; R287-E344 IonicContact NH1-OE1 3.78Å; R287-E344 IonicContact NH1-OE2 3.63Å; R287-E344 PolarHBondContact NH1-OE2 2.8Å; R287-E344 VanDerWaalsContact NH1-OE2 3.11Å; R287-E344 IonicContact NH2-OE2 3.5Å; R287-E344 PolarHBondContact NH2-OE2 3.43Å; E344-V348 CarbonylContact C-O 3.56Å; E344-V348 VanDerWaalsContact CA-O 3.31Å; E344-V348 WeakPolarHBondContact CA-O 3.3Å |
| 345 | K | 76.6 | Confident | 86.6 | Confident | 62 Ų | 62 | 42.2 Ų | 42.2 | 27% | 0.27 | 22% | 0.218 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -147.9 | 129 | 173.7 | -170.5 | -177.2 | 173.9 | 179.7 | 0 | 109 | L243 M278 D347 V348 | L243-K345 HydrophobicContact CD1-CB 4.06Å; M278-K345 HydrophobicContact CE-CD 4.34Å; M278-K345 HydrophobicContact CG-CB 4.2Å; M278-K345 HydrophobicContact CG-CD 4.41Å; K345-D347 VanDerWaalsContact C-N 3.31Å; K345-D347 PolarHBondContact O-N 2.87Å; K345-V348 PolarHBondContact N-O 2.92Å; K345-V348 PolarHBondContact O-N 3.41Å; K345-V348 VanDerWaalsContact O-N 3.09Å |
| 346 | D | 67.2 | Low | 86.6 | Confident | 109 Ų | 109 | 42.1 Ų | 42.1 | 58% | 0.583 | 22% | 0.218 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 51.5 | 48.1 | 178.5 | -53 | -45.4 | 0 | 0 | 0 | 112.2 | L239 V348 | L239-D346 HydrophobicContact CD1-CB 3.99Å; L239-D346 HydrophobicContact CD2-CB 4.24Å; D346-V348 PolarHBondContact O-N 3.19Å; D346-V348 VanDerWaalsContact O-N 3.16Å |
| 347 | D | 59.3 | Low | 86.6 | Confident | 137 Ų | 137 | 42.8 Ų | 42.8 | 73% | 0.733 | 22% | 0.218 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 62.1 | 13.5 | -178.6 | -55.9 | -53.5 | 0 | 0 | 0 | 116 | K345 | K345-D347 VanDerWaalsContact C-N 3.31Å; K345-D347 PolarHBondContact O-N 2.87Å |
| 348 | V | 63.7 | Low | 86.7 | Confident | 27 Ų | 27 | 42.1 Ų | 42.1 | 16% | 0.164 | 21% | 0.211 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.9 | 132.2 | 172.2 | -179 | 0 | 0 | 0 | 0 | 109.3 | L243 E344 K345 D346 | L243-V348 HydrophobicContact CB-CG1 4.17Å; L243-V348 HydrophobicContact CD1-CB 3.77Å; L243-V348 HydrophobicContact CD1-CG1 3.75Å; L243-V348 WeakPolarHBondContact CD1-O 3.4Å; E344-V348 CarbonylContact C-O 3.56Å; E344-V348 VanDerWaalsContact CA-O 3.31Å; E344-V348 WeakPolarHBondContact CA-O 3.3Å; K345-V348 PolarHBondContact N-O 2.92Å; K345-V348 PolarHBondContact O-N 3.41Å; K345-V348 VanDerWaalsContact O-N 3.09Å; D346-V348 PolarHBondContact O-N 3.19Å; D346-V348 VanDerWaalsContact O-N 3.16Å |
| 349 | Y | 74.3 | Confident | 86.8 | Confident | 51 Ų | 51 | 36.7 Ų | 36.7 | 20% | 0.2 | 19% | 0.186 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.4 | 157.2 | 179.9 | 75.5 | -85.4 | 0 | 0 | 0 | 114.2 | R287 L342 F343 E351 | R287-Y349 VanDerWaalsContact NH2-CG 3.34Å; L342-Y349 HydrophobicContact CD2-CD2 3.88Å; L342-Y349 HydrophobicContact CD2-CE2 3.95Å; F343-Y349 CarbonylContact O-C 3.28Å; F343-Y349 WeakPolarHBondContact O-CA 3.28Å; F343-Y349 WeakPolarHBondContact O-CB 3.2Å; Y349-E351 HydrophobicContact CE2-CG 4.49Å |
| 350 | Q | 82.2 | Confident | 86.7 | Confident | 39 Ų | 39 | 36.9 Ų | 36.9 | 18% | 0.182 | 19% | 0.188 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.8 | 153.7 | 167 | -72.9 | -69.2 | -44.9 | 0 | 0 | 108.5 | L246 V248 L342 F343 | L246-Q350 WeakPolarHBondContact O-CG 3.25Å; V248-Q350 HydrophobicContact CB-CB 4.31Å; V248-Q350 HydrophobicContact CG2-CB 3.57Å; L342-Q350 WeakPolarHBondContact CA-O 3.3Å; F343-Q350 PolarHBondContact N-O 2.97Å; F343-Q350 PolarHBondContact O-N 2.84Å |
| 351 | E | 90.5 | Very high | 86.4 | Confident | 74 Ų | 74 | 36 Ų | 36 | 35% | 0.346 | 19% | 0.188 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -141.3 | 159.2 | -176.6 | 67.2 | 175.9 | -142.4 | 0 | 0 | 113.5 | C341 L342 Y349 | C341-E351 CarbonylContact O-C 3.55Å; C341-E351 WeakPolarHBondContact O-CA 3.31Å; C341-E351 WeakPolarHBondContact O-CB 3.46Å; L342-E351 HydrophobicContact CG-CB 3.95Å; Y349-E351 HydrophobicContact CE2-CG 4.49Å |
| 352 | A | 91.9 | Very high | 86.3 | Confident | 14 Ų | 14 | 36.3 Ų | 36.3 | 12% | 0.116 | 19% | 0.191 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -133.2 | 143.1 | 165.4 | 0 | 0 | 0 | 0 | 0 | 110.7 | V248 R340 C341 | V248-A352 HydrophobicContact CB-CB 4.43Å; V248-A352 HydrophobicContact CG1-CB 3.82Å; R340-A352 WeakPolarHBondContact CA-O 3.38Å; C341-A352 PolarHBondContact N-O 3.09Å; C341-A352 PolarHBondContact O-N 3.49Å |
| 353 | S | 92.6 | Very high | 86.4 | Confident | 60 Ų | 60 | 38.7 Ų | 38.7 | 42% | 0.42 | 21% | 0.208 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -83.4 | 140.6 | 170.9 | -73.3 | 0 | 0 | 0 | 0 | 110.9 | Q338 Y339 | Q338-S353 PolarHBondContact NE2-OG 3.26Å; Y339-S353 WeakPolarHBondContact O-CA 3.32Å |
| 354 | L | 94.8 | Very high | 86.7 | Confident | 2 Ų | 2 | 42.9 Ų | 42.9 | 1% | 0.01 | 24% | 0.237 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.3 | 134.8 | 171.1 | -49.3 | 89 | 0 | 0 | 0 | 108.2 | P251 I255 L265 Q338 Y339 C341 | P251-L354 HydrophobicContact CG-CD2 3.93Å; P251-L354 HydrophobicContact CG-CG 4.43Å; I255-L354 HydrophobicContact CD1-CB 4.41Å; I255-L354 HydrophobicContact CD1-CD2 4.18Å; L265-L354 HydrophobicContact CB-CD2 4.06Å; L265-L354 HydrophobicContact CD2-CD2 4.35Å; Q338-L354 WeakPolarHBondContact CA-O 3.41Å; Y339-L354 PolarHBondContact N-O 3.45Å; Y339-L354 PolarHBondContact O-N 3.05Å; C341-L354 HydrophobicContact CB-CD1 4.04Å |
| 355 | D | 95.1 | Very high | 87.2 | Confident | 54 Ų | 54 | 42.5 Ų | 42.5 | 29% | 0.289 | 24% | 0.236 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -102.9 | 115.8 | 173.3 | -171.5 | 21.2 | 0 | 0 | 0 | 109 | P254 I255 K357 | P254-D355 CarbonylContact C-O 3.52Å; P254-D355 VanDerWaalsContact CA-O 3.29Å; P254-D355 WeakPolarHBondContact CA-O 3.41Å; P254-D355 HydrophobicContact CB-CB 4.3Å; I255-D355 PolarHBondContact N-O 2.93Å; D355-K357 VanDerWaalsContact CG-NZ 3.3Å; D355-K357 WeakPolarHBondContact OD1-CE 3.39Å; D355-K357 IonicContact OD1-NZ 3.62Å; D355-K357 PolarHBondContact OD1-NZ 3.16Å; D355-K357 WeakPolarHBondContact OD2-CE 3.48Å; D355-K357 IonicContact OD2-NZ 3.54Å; D355-K357 PolarHBondContact OD2-NZ 3.22Å |
| 356 | L | 97 | Very high | 88.1 | Confident | 0 Ų | 0 | 45.1 Ų | 45.1 | 0% | 0 | 25% | 0.252 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.9 | 125 | 175.6 | -179.5 | 68.1 | 0 | 0 | 0 | 109.2 | I255 V257 I263 D335 G337 Y339 V358 | I255-L356 HydrophobicContact CB-CD1 4.03Å; I255-L356 HydrophobicContact CG2-CD1 4.04Å; V257-L356 HydrophobicContact CB-CD1 4.36Å; V257-L356 HydrophobicContact CG2-CD1 3.69Å; I263-L356 HydrophobicContact CD1-CD2 3.67Å; I263-L356 HydrophobicContact CG1-CD1 4.35Å; I263-L356 HydrophobicContact CG1-CD2 4.07Å; I263-L356 HydrophobicContact CG2-CD1 3.65Å; I263-L356 HydrophobicContact CG2-CD2 3.82Å; I263-L356 HydrophobicContact CG2-CG 4.41Å; D335-L356 HydrophobicContact CB-CD2 4.36Å; D335-L356 WeakPolarHBondContact O-CD2 3.41Å; G337-L356 PolarHBondContact N-O 2.85Å; G337-L356 WeakPolarHBondContact O-CB 3.48Å; G337-L356 PolarHBondContact O-N 2.9Å; Y339-L356 HydrophobicContact CD2-CB 3.96Å; Y339-L356 HydrophobicContact CE2-CB 3.76Å; Y339-L356 HydrophobicContact CE2-CD2 3.63Å; Y339-L356 HydrophobicContact CE2-CG 4.35Å; L356-V358 HydrophobicContact CD2-CG2 4.11Å; L356-V358 HydrophobicContact CG-CG2 4.2Å |
| 357 | K | 95.6 | Very high | 89.4 | Confident | 59 Ų | 59 | 41 Ų | 41 | 26% | 0.257 | 23% | 0.23 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.8 | 108 | 172.2 | -62.7 | -56.1 | -177.2 | -136.2 | 0 | 109.9 | P254 I255 L256 V257 D336 D355 | P254-K357 HydrophobicContact CB-CG 3.96Å; I255-K357 PolarHBondContact O-N 2.82Å; L256-K357 WeakPolarHBondContact CA-O 3.37Å; L256-K357 HydrophobicContact CD1-CB 4.03Å; V257-K357 PolarHBondContact N-O 2.86Å; D336-K357 WeakPolarHBondContact OD2-CA 3.45Å; D355-K357 VanDerWaalsContact CG-NZ 3.3Å; D355-K357 WeakPolarHBondContact OD1-CE 3.39Å; D355-K357 IonicContact OD1-NZ 3.62Å; D355-K357 PolarHBondContact OD1-NZ 3.16Å; D355-K357 WeakPolarHBondContact OD2-CE 3.48Å; D355-K357 IonicContact OD2-NZ 3.54Å; D355-K357 PolarHBondContact OD2-NZ 3.22Å |
| 358 | V | 96.1 | Very high | 90.9 | Very high | 0 Ų | 0 | 37.2 Ų | 37.2 | 0% | 0 | 21% | 0.212 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -86.7 | 135.8 | 173.5 | -179.8 | 0 | 0 | 0 | 0 | 108.5 | V257 V259 A331 D335 D336 L356 F387 | V257-V358 CarbonylContact O-C 3.56Å; V257-V358 VanDerWaalsContact O-CA 3.31Å; V257-V358 WeakPolarHBondContact O-CA 3.4Å; V259-V358 HydrophobicContact CG2-CG1 3.6Å; A331-V358 HydrophobicContact CB-CG1 4.45Å; D335-V358 HydrophobicContact CB-CG2 4.4Å; D336-V358 HydrophobicContact CB-CB 4.12Å; D336-V358 HydrophobicContact CB-CG2 4.17Å; D336-V358 PolarHBondContact OD2-N 3.4Å; L356-V358 HydrophobicContact CD2-CG2 4.11Å; L356-V358 HydrophobicContact CG-CG2 4.2Å; V358-F387 HydrophobicContact CB-CD1 4.29Å; V358-F387 HydrophobicContact CB-CE1 4.09Å; V358-F387 HydrophobicContact CG1-CD1 4.29Å; V358-F387 HydrophobicContact CG1-CE1 4.48Å; V358-F387 WeakPolarHBondContact O-CD1 3.18Å; V358-F387 WeakPolarHBondContact O-CE1 3.47Å |
| 359 | V | 95.3 | Very high | 92 | Very high | 2 Ų | 2 | 38.9 Ų | 38.9 | 1% | 0.012 | 22% | 0.222 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -132.1 | 131.3 | -178.1 | -66.1 | 0 | 0 | 0 | 0 | 113.2 | L256 V257 R258 V259 F387 F441 L442 | L256-V359 HydrophobicContact CD1-CB 4.27Å; L256-V359 HydrophobicContact CD1-CG1 3.49Å; L256-V359 VanDerWaalsContact CD1-CG1 3.49Å; L256-V359 HydrophobicContact CD1-CG2 3.75Å; L256-V359 HydrophobicContact CG-CG2 4.07Å; V257-V359 PolarHBondContact O-N 3.21Å; R258-V359 CarbonylContact C-O 3.31Å; R258-V359 VanDerWaalsContact CA-O 3.24Å; R258-V359 WeakPolarHBondContact CA-O 3.46Å; R258-V359 HydrophobicContact CG-CG2 4.13Å; V259-V359 PolarHBondContact N-O 2.89Å; V359-F387 CarbonylContact C-O 3.54Å; V359-F387 VanDerWaalsContact CA-O 3.31Å; V359-F387 WeakPolarHBondContact CA-O 3.4Å; V359-F441 HydrophobicContact CG1-CE2 3.84Å; V359-F441 HydrophobicContact CG1-CZ 3.82Å; V359-L442 HydrophobicContact CB-CD1 3.8Å; V359-L442 HydrophobicContact CG1-CD1 3.54Å; V359-L442 HydrophobicContact CG2-CD1 4.1Å |
| 360 | G | 93.8 | Very high | 91.9 | Very high | 5 Ų | 5 | 41.3 Ų | 41.3 | 5% | 0.052 | 24% | 0.235 | C | C | . | . | B | Isolated β-bridge | trans | -107.3 | 109.2 | 169 | 0 | 0 | 0 | 0 | 0 | 108.7 | G362 G385 W386 F387 | G360-G362 PolarHBondContact O-N 3.13Å; G360-G385 CarbonylContact C-O 3.53Å; G360-W386 WeakPolarHBondContact O-CA 3.47Å; G360-F387 PolarHBondContact N-O 2.84Å; G360-F387 PolarHBondContact O-N 3.41Å |
| 361 | L | 89.9 | Confident | 91 | Very high | 39 Ų | 39 | 42.1 Ų | 42.1 | 20% | 0.204 | 26% | 0.255 | C | S | . | . | trans | -88.5 | 94.7 | 169.9 | -64.2 | 178.3 | 0 | 0 | 0 | 107 | R258 L442 E444 | R258-L361 VanDerWaalsContact CZ-CD1 3.4Å; L361-L442 HydrophobicContact CD2-CD1 4.17Å; L361-E444 WeakPolarHBondContact CD1-OE2 3.28Å | ||
| 362 | G | 90.9 | Very high | 89.5 | Confident | 6 Ų | 6 | 45.7 Ų | 45.7 | 6% | 0.062 | 27% | 0.271 | C | S | . | . | trans | -59.2 | -177.7 | -172.6 | 0 | 0 | 0 | 0 | 0 | 114.7 | G360 D384 G385 K446 | G360-G362 PolarHBondContact O-N 3.13Å; G362-D384 CarbonylContact C-O 3.55Å; G362-D384 VanDerWaalsContact C-O 3.31Å; G362-D384 WeakPolarHBondContact CA-O 3.4Å; G362-G385 WeakPolarHBondContact CA-O 3.18Å; G362-K446 WeakPolarHBondContact O-CE 3.43Å; G362-K446 PolarHBondContact O-NZ 3.41Å | ||
| 363 | S | 94 | Very high | 87.8 | Confident | 54 Ų | 54 | 53.1 Ų | 53.1 | 38% | 0.378 | 30% | 0.304 | S | S | . | . | P | Polyproline II helix | trans | -61 | 160.3 | 176.7 | 58.8 | 0 | 0 | 0 | 0 | 111.6 | S383 D384 | S363-S383 PolarHBondContact O-OG 3.26Å; S363-S383 PolarHBondContact OG-OG 3.3Å; S363-D384 PolarHBondContact N-O 2.95Å; S363-D384 PolarHBondContact OG-N 3.05Å |
| 364 | S | 94.7 | Very high | 86.1 | Confident | 87 Ų | 87 | 58.5 Ų | 58.5 | 61% | 0.608 | 33% | 0.328 | S | S | * | . | P | Polyproline II helix | trans | -62.4 | 137.4 | 170.4 | -61 | 0 | 0 | 0 | 0 | 109.5 | ||
| 365 | P | 96.1 | Very high | 84.6 | Confident | 12 Ų | 12 | 60.3 Ų | 60.3 | 8% | 0.078 | 35% | 0.347 | C | S | . | . | P | Polyproline II helix | trans | -59.6 | 142.2 | 179.7 | 19.7 | -28.3 | 0 | 0 | 0 | 111.4 | I437 K446 I447 A448 | P365-I437 HydrophobicContact CB-CD1 3.85Å; P365-I437 HydrophobicContact CB-CG1 4.42Å; P365-I437 HydrophobicContact CG-CD1 4.37Å; P365-K446 HydrophobicContact CG-CB 4.49Å; P365-I447 VanDerWaalsContact CG-C 3.48Å; P365-A448 HydrophobicContact CB-CB 3.88Å; P365-A448 HydrophobicContact CG-CB 3.69Å; P365-A448 VanDerWaalsContact O-CB 3.3Å; P365-A448 WeakPolarHBondContact O-CB 3.37Å |
| 366 | L | 95.4 | Very high | 83.5 | Confident | 116 Ų | 116 | 61 Ų | 61 | 61% | 0.607 | 35% | 0.348 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -116.7 | 128.6 | 174.8 | 178 | 65.6 | 0 | 0 | 0 | 108.8 | T368 C381 S382 | L366-T368 HydrophobicContact CD2-CG2 4.33Å; L366-T368 HydrophobicContact CG-CG2 4.28Å; L366-C381 CarbonylContact O-C 3.51Å; L366-C381 WeakPolarHBondContact O-CA 2.99Å; L366-S382 PolarHBondContact N-O 2.86Å; L366-S382 PolarHBondContact O-N 2.82Å |
| 367 | I | 93.8 | Very high | 82.6 | Confident | 23 Ų | 23 | 61.9 Ų | 61.9 | 12% | 0.118 | 35% | 0.352 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.5 | 125.9 | 175.3 | -58.4 | 171.3 | 0 | 0 | 0 | 109.7 | P379 M380 C381 W394 C435 A448 F450 | I367-P379 HydrophobicContact CG2-CB 3.86Å; I367-M380 CarbonylContact C-O 3.44Å; I367-M380 VanDerWaalsContact CA-O 3.24Å; I367-M380 WeakPolarHBondContact CA-O 3.23Å; I367-C381 HydrophobicContact CG1-CB 4.18Å; I367-W394 HydrophobicContact CD1-CH2 4.2Å; I367-W394 HydrophobicContact CD1-CZ3 3.95Å; I367-W394 HydrophobicContact CG1-CH2 4.28Å; I367-W394 HydrophobicContact CG2-CH2 4.38Å; I367-C435 HydrophobicContact CD1-CB 4.02Å; I367-C435 HydrophobicContact CG1-CB 4.33Å; I367-A448 HydrophobicContact CD1-CB 3.92Å; I367-A448 VanDerWaalsContact CD1-O 3.28Å; I367-A448 WeakPolarHBondContact CD1-O 3.32Å; I367-A448 HydrophobicContact CG1-CB 4.04Å; I367-F450 HydrophobicContact CB-CB 4.2Å; I367-F450 HydrophobicContact CD1-CB 3.78Å; I367-F450 HydrophobicContact CG2-CB 3.77Å; I367-F450 HydrophobicContact CG2-CD2 4.01Å; I367-F450 HydrophobicContact CG2-CG 3.92Å |
| 368 | T | 91.5 | Very high | 82.2 | Confident | 57 Ų | 57 | 61.4 Ų | 61.4 | 35% | 0.35 | 35% | 0.351 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.1 | 161.7 | 173.4 | 55.7 | 0 | 0 | 0 | 0 | 110 | L366 P379 M380 | L366-T368 HydrophobicContact CD2-CG2 4.33Å; L366-T368 HydrophobicContact CG-CG2 4.28Å; T368-P379 CarbonylContact O-C 3.59Å; T368-P379 WeakPolarHBondContact O-CA 3.34Å; T368-M380 PolarHBondContact N-O 2.68Å; T368-M380 PolarHBondContact O-N 2.94Å; T368-M380 WeakPolarHBondContact OG1-CE 3.3Å |
| 369 | V | 86.4 | Confident | 81.9 | Confident | 63 Ų | 63 | 61.4 Ų | 61.4 | 38% | 0.382 | 35% | 0.351 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.8 | 122.1 | 177.9 | -177.8 | 0 | 0 | 0 | 0 | 109.5 | M377 F450 | V369-M377 HydrophobicContact CG1-CG 3.74Å; V369-M377 HydrophobicContact CG2-CG 4.48Å; V369-M377 HydrophobicContact CG2-SD 4.33Å; V369-F450 HydrophobicContact CG2-CE1 4.14Å; V369-F450 HydrophobicContact CG2-CE2 4.01Å; V369-F450 HydrophobicContact CG2-CZ 3.54Å |
| 370 | E | 71.4 | Confident | 81.8 | Confident | 101 Ų | 101 | 62.4 Ų | 62.4 | 47% | 0.472 | 36% | 0.356 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.3 | 101.3 | 176.8 | -70.8 | -165.9 | 155.1 | 0 | 0 | 110.6 | Q378 M380 | E370-Q378 PolarHBondContact N-O 3.35Å; E370-Q378 VanDerWaalsContact N-O 3.12Å; E370-M380 HydrophobicContact CG-CE 4.08Å; E370-M380 VanDerWaalsContact OE1-CE 3.26Å; E370-M380 WeakPolarHBondContact OE1-CE 3.38Å |
| 371 | G | 64.4 | Low | 81.8 | Confident | 57 Ų | 57 | 62.1 Ų | 62.1 | 59% | 0.588 | 35% | 0.353 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | 78.9 | 153.6 | 171.1 | 0 | 0 | 0 | 0 | 0 | 115.7 | ||
| 372 | Q | 58.6 | Low | 82.1 | Confident | 149 Ų | 149 | 61.4 Ų | 61.4 | 70% | 0.696 | 35% | 0.351 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -141.3 | 98.7 | 173.3 | -171.6 | 176.5 | 12.8 | 0 | 0 | 107.2 | ||
| 373 | E | 55.7 | Low | 82.4 | Confident | 170 Ų | 170 | 61.1 Ų | 61.1 | 79% | 0.794 | 35% | 0.348 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -120.7 | 131.5 | 169 | -79 | -173 | 157 | 0 | 0 | 107.9 | G375 E376 | E373-G375 VanDerWaalsContact C-N 3.35Å; E373-G375 PolarHBondContact O-N 2.88Å; E373-E376 PolarHBondContact O-N 3.23Å |
| 374 | D | 57.9 | Low | 82.4 | Confident | 173 Ų | 173 | 62.5 Ų | 62.5 | 93% | 0.925 | 35% | 0.352 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 54.6 | 34.2 | 174.7 | -70.6 | -17.6 | 0 | 0 | 0 | 117.4 | E376 | D374-E376 VanDerWaalsContact C-N 3.27Å; D374-E376 PolarHBondContact O-N 3.05Å |
| 375 | G | 63.8 | Low | 82.4 | Confident | 40 Ų | 40 | 59.5 Ų | 59.5 | 41% | 0.412 | 33% | 0.334 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 78 | 7.8 | 173.7 | 0 | 0 | 0 | 0 | 0 | 114.7 | E373 | E373-G375 VanDerWaalsContact C-N 3.35Å; E373-G375 PolarHBondContact O-N 2.88Å |
| 376 | E | 70.8 | Confident | 82.3 | Confident | 69 Ų | 69 | 59 Ų | 59 | 32% | 0.322 | 33% | 0.331 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.6 | 129.9 | 168.8 | -63.5 | -165 | 153.6 | 0 | 0 | 110.4 | E373 D374 R424 T426 | E373-E376 PolarHBondContact O-N 3.23Å; D374-E376 VanDerWaalsContact C-N 3.27Å; D374-E376 PolarHBondContact O-N 3.05Å; E376-R424 IonicContact OE1-NH1 3.36Å; E376-R424 WeakPolarHBondContact OE2-CD 3.49Å; E376-R424 IonicContact OE2-CZ 3.06Å; E376-R424 VanDerWaalsContact OE2-CZ 3.27Å; E376-R424 IonicContact OE2-NE 3.71Å; E376-R424 IonicContact OE2-NH1 3.25Å; E376-R424 PolarHBondContact OE2-NH1 3Å; E376-T426 HydrophobicContact CG-CG2 4.16Å; E376-T426 WeakPolarHBondContact OE1-CG2 3.39Å |
| 377 | M | 79.1 | Confident | 82.3 | Confident | 17 Ų | 17 | 54.6 Ų | 54.6 | 8% | 0.084 | 31% | 0.307 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.7 | 135.6 | 172.8 | -172.4 | -173.9 | -79.9 | 0 | 0 | 109.5 | V369 P379 V425 F450 L452 W455 | V369-M377 HydrophobicContact CG1-CG 3.74Å; V369-M377 HydrophobicContact CG2-CG 4.48Å; V369-M377 HydrophobicContact CG2-SD 4.33Å; M377-P379 WeakPolarHBondContact O-CD 3.22Å; M377-V425 PolarHBondContact N-O 2.67Å; M377-V425 VanDerWaalsContact N-O 3.09Å; M377-V425 PolarHBondContact O-N 2.88Å; M377-F450 HydrophobicContact SD-CE1 3.67Å; M377-F450 HydrophobicContact SD-CZ 4.26Å; M377-L452 HydrophobicContact SD-CD2 3.56Å; M377-L452 VanDerWaalsContact SD-CD2 3.56Å; M377-W455 HydrophobicContact CE-CB 3.95Å; M377-W455 HydrophobicContact CE-CG 4.41Å |
| 378 | Q | 86.6 | Confident | 82.3 | Confident | 49 Ų | 49 | 55.2 Ų | 55.2 | 23% | 0.229 | 31% | 0.312 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.6 | 81.6 | 180 | -156.9 | 173.7 | -82.1 | 0 | 0 | 111.7 | E370 M380 L422 L423 | E370-Q378 PolarHBondContact N-O 3.35Å; E370-Q378 VanDerWaalsContact N-O 3.12Å; Q378-M380 PolarHBondContact O-N 3Å; Q378-L422 HydrophobicContact CG-CB 4.35Å; Q378-L422 HydrophobicContact CG-CD2 4.07Å; Q378-L423 WeakPolarHBondContact CA-O 3.34Å; Q378-L423 WeakPolarHBondContact CG-O 3.47Å |
| 379 | P | 89.9 | Confident | 82.4 | Confident | 0 Ų | 0 | 58 Ų | 58 | 0% | 0 | 32% | 0.321 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -65.7 | 133.6 | 171.2 | 25.5 | -33.1 | 0 | 0 | 0 | 111.3 | I367 T368 M377 W394 L423 V425 | I367-P379 HydrophobicContact CG2-CB 3.86Å; T368-P379 CarbonylContact O-C 3.59Å; T368-P379 WeakPolarHBondContact O-CA 3.34Å; M377-P379 WeakPolarHBondContact O-CD 3.22Å; P379-W394 HydrophobicContact CB-CH2 4.27Å; P379-L423 WeakPolarHBondContact CD-O 3.26Å; P379-L423 HydrophobicContact CG-CB 4.15Å; P379-L423 HydrophobicContact CG-CD2 4.45Å; P379-L423 PolarHBondContact O-N 2.89Å; P379-V425 HydrophobicContact CG-CG2 4.26Å |
| 380 | M | 92.8 | Very high | 82.8 | Confident | 23 Ų | 23 | 55.3 Ų | 55.3 | 11% | 0.113 | 31% | 0.305 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.6 | 123.4 | 173.9 | -173.2 | 174.2 | 56.6 | 0 | 0 | 109.3 | I367 T368 E370 Q378 T421 L422 | I367-M380 CarbonylContact C-O 3.44Å; I367-M380 VanDerWaalsContact CA-O 3.24Å; I367-M380 WeakPolarHBondContact CA-O 3.23Å; T368-M380 PolarHBondContact N-O 2.68Å; T368-M380 PolarHBondContact O-N 2.94Å; T368-M380 WeakPolarHBondContact OG1-CE 3.3Å; E370-M380 HydrophobicContact CG-CE 4.08Å; E370-M380 VanDerWaalsContact OE1-CE 3.26Å; E370-M380 WeakPolarHBondContact OE1-CE 3.38Å; Q378-M380 PolarHBondContact O-N 3Å; M380-T421 CarbonylContact C-O 3.58Å; M380-T421 WeakPolarHBondContact CA-O 3.09Å; M380-L422 HydrophobicContact CB-CD2 3.43Å; M380-L422 VanDerWaalsContact CB-CD2 3.43Å; M380-L422 HydrophobicContact CG-CD2 3.68Å; M380-L422 HydrophobicContact CG-CG 4.33Å; M380-L422 HydrophobicContact SD-CD2 4.25Å |
| 381 | C | 94.8 | Very high | 83.9 | Confident | 0 Ų | 0 | 55.4 Ų | 55.4 | 0% | 0 | 31% | 0.306 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.1 | 128.1 | 168.2 | 177.8 | 0 | 0 | 0 | 0 | 109.4 | L366 I367 W394 Q420 T421 C435 | L366-C381 CarbonylContact O-C 3.51Å; L366-C381 WeakPolarHBondContact O-CA 2.99Å; I367-C381 HydrophobicContact CG1-CB 4.18Å; C381-W394 HydrophobicContact CB-CH2 3.62Å; C381-W394 HydrophobicContact CB-CZ2 3.45Å; C381-W394 VanDerWaalsContact CB-CZ2 3.45Å; C381-Q420 CarbonylContact O-C 3.58Å; C381-Q420 WeakPolarHBondContact O-CA 3.23Å; C381-T421 HydrophobicContact CB-CG2 3.73Å; C381-T421 PolarHBondContact N-O 2.8Å; C381-T421 PolarHBondContact O-N 2.88Å; C381-C435 HydrophobicContact CB-CB 3.52Å; C381-C435 WeakPolarHBondContact CB-SG 3.24Å; C381-C435 WeakPolarHBondContact SG-CB 3.45Å; C381-C435 CovalentContact SG-SG 2.03Å; C381-C435 PolarHBondContact SG-SG 3.17Å |
| 382 | S | 96.1 | Very high | 85.3 | Confident | 23 Ų | 23 | 53 Ų | 53 | 16% | 0.161 | 28% | 0.279 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.5 | 143.5 | 177.8 | -173.9 | 0 | 0 | 0 | 0 | 112.2 | L366 H418 V419 | L366-S382 PolarHBondContact N-O 2.86Å; L366-S382 PolarHBondContact O-N 2.82Å; S382-H418 PolarHBondContact OG-CE1 2.91Å; S382-V419 CarbonylContact C-O 3.57Å; S382-V419 WeakPolarHBondContact CA-O 3.32Å; S382-V419 PolarHBondContact OG-O 3.04Å |
| 383 | S | 96.1 | Very high | 86.9 | Confident | 0 Ų | 0 | 46.1 Ų | 46.1 | 0% | 0 | 25% | 0.248 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -159.9 | 152 | 178.2 | -171.3 | 0 | 0 | 0 | 0 | 111.9 | S363 W386 H418 V419 | S363-S383 PolarHBondContact O-OG 3.26Å; S363-S383 PolarHBondContact OG-OG 3.3Å; S383-W386 PolarHBondContact OG-NE1 3.13Å; S383-H418 PolarHBondContact O-ND1 3.11Å; S383-V419 PolarHBondContact N-O 2.88Å; S383-V419 PolarHBondContact O-N 2.85Å |
| 384 | D | 94.4 | Very high | 88.7 | Confident | 84 Ų | 84 | 38.1 Ų | 38.1 | 45% | 0.449 | 21% | 0.21 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -127 | 149.4 | -169 | -77.8 | -78.2 | 0 | 0 | 0 | 112.7 | G362 S363 H418 | G362-D384 CarbonylContact C-O 3.55Å; G362-D384 VanDerWaalsContact C-O 3.31Å; G362-D384 WeakPolarHBondContact CA-O 3.4Å; S363-D384 PolarHBondContact N-O 2.95Å; S363-D384 PolarHBondContact OG-N 3.05Å; D384-H418 IonicContact OD1-CE1 3.59Å; D384-H418 IonicContact OD1-CG 3.11Å; D384-H418 IonicContact OD1-ND1 2.68Å; D384-H418 PolarHBondContact OD1-ND1 3.17Å; D384-H418 IonicContact OD2-CE1 3.27Å; D384-H418 IonicContact OD2-ND1 3.56Å; D384-H418 PolarHBondContact OD2-ND1 2.76Å |
| 385 | G | 93.8 | Very high | 90.3 | Very high | 23 Ų | 23 | 33.1 Ų | 33.1 | 24% | 0.237 | 18% | 0.178 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 89.5 | 24.9 | 166.6 | 0 | 0 | 0 | 0 | 0 | 114.9 | G360 G362 F417 | G360-G385 CarbonylContact C-O 3.53Å; G362-G385 WeakPolarHBondContact CA-O 3.18Å; G385-F417 PolarHBondContact N-O 2.74Å; G385-F417 VanDerWaalsContact N-O 3.11Å |
| 386 | W | 95.1 | Very high | 91.4 | Very high | 3 Ų | 3 | 32.8 Ų | 32.8 | 1% | 0.011 | 17% | 0.167 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -86.5 | 137.6 | -178.5 | -64.3 | 87.4 | 0 | 0 | 0 | 112.2 | G360 S383 P390 F417 V419 I437 I439 K446 | G360-W386 WeakPolarHBondContact O-CA 3.47Å; S383-W386 PolarHBondContact OG-NE1 3.13Å; W386-P390 HydrophobicContact CB-CB 4.12Å; W386-P390 HydrophobicContact CB-CG 3.67Å; W386-P390 HydrophobicContact CD2-CB 4.16Å; W386-P390 HydrophobicContact CD2-CG 4.36Å; W386-P390 HydrophobicContact CE3-CB 4.03Å; W386-P390 HydrophobicContact CG-CB 4.2Å; W386-P390 HydrophobicContact CG-CG 3.91Å; W386-F417 HydrophobicContact CB-CB 4.15Å; W386-F417 PolarHBondContact N-O 3.09Å; W386-F417 VanDerWaalsContact N-O 3.09Å; W386-F417 WeakPolarHBondContact O-CB 3.42Å; W386-F417 WeakPolarHBondContact O-CD2 3.35Å; W386-F417 PolarHBondContact O-N 2.96Å; W386-V419 HydrophobicContact CG-CG2 4.33Å; W386-I437 HydrophobicContact CD2-CG2 3.67Å; W386-I437 VanDerWaalsContact CE2-CG2 3.42Å; W386-I437 HydrophobicContact CE3-CG2 3.8Å; W386-I437 HydrophobicContact CG-CG2 4.46Å; W386-I437 HydrophobicContact CH2-CB 3.74Å; W386-I437 HydrophobicContact CH2-CG2 3.46Å; W386-I437 VanDerWaalsContact CH2-CG2 3.46Å; W386-I437 HydrophobicContact CZ2-CB 3.64Å; W386-I437 HydrophobicContact CZ2-CD1 4.15Å; W386-I437 HydrophobicContact CZ2-CG1 4.48Å; W386-I437 HydrophobicContact CZ2-CG2 3.34Å; W386-I437 HydrophobicContact CZ3-CB 4.39Å; W386-I437 HydrophobicContact CZ3-CG2 3.7Å; W386-I439 HydrophobicContact CE3-CD1 4.11Å; W386-I439 HydrophobicContact CE3-CG1 4.28Å; W386-K446 HydrophobicContact CH2-CB 3.94Å; W386-K446 HydrophobicContact CH2-CD 3.83Å; W386-K446 HydrophobicContact CH2-CG 3.88Å; W386-K446 HydrophobicContact CZ2-CB 4.3Å; W386-K446 HydrophobicContact CZ2-CD 4.04Å; W386-K446 HydrophobicContact CZ2-CG 4.45Å |
| 387 | F | 94.9 | Very high | 92 | Very high | 22 Ų | 22 | 34.9 Ų | 34.9 | 10% | 0.096 | 18% | 0.178 | C | C | . | . | B | Isolated β-bridge | trans | -155.1 | 139.4 | 168.3 | -174.2 | -96.7 | 0 | 0 | 0 | 110.4 | P333 D336 V358 V359 G360 G415 L416 F417 | P333-F387 HydrophobicContact CB-CD1 4.08Å; P333-F387 HydrophobicContact CB-CD2 3.71Å; P333-F387 HydrophobicContact CB-CE1 4.05Å; P333-F387 HydrophobicContact CB-CE2 3.65Å; P333-F387 HydrophobicContact CB-CG 3.93Å; P333-F387 HydrophobicContact CB-CZ 3.82Å; P333-F387 HydrophobicContact CG-CB 4.46Å; P333-F387 HydrophobicContact CG-CD1 4.38Å; P333-F387 HydrophobicContact CG-CD2 4.22Å; P333-F387 HydrophobicContact CG-CG 4.09Å; P333-F387 WeakPolarHBondContact O-CZ 2.8Å; D336-F387 HydrophobicContact CB-CE1 3.81Å; D336-F387 HydrophobicContact CB-CZ 4Å; V358-F387 HydrophobicContact CB-CD1 4.29Å; V358-F387 HydrophobicContact CB-CE1 4.09Å; V358-F387 HydrophobicContact CG1-CD1 4.29Å; V358-F387 HydrophobicContact CG1-CE1 4.48Å; V358-F387 WeakPolarHBondContact O-CD1 3.18Å; V358-F387 WeakPolarHBondContact O-CE1 3.47Å; V359-F387 CarbonylContact C-O 3.54Å; V359-F387 VanDerWaalsContact CA-O 3.31Å; V359-F387 WeakPolarHBondContact CA-O 3.4Å; G360-F387 PolarHBondContact N-O 2.84Å; G360-F387 PolarHBondContact O-N 3.41Å; F387-G415 VanDerWaalsContact CD2-O 3.28Å; F387-G415 WeakPolarHBondContact CD2-O 3.1Å; F387-L416 HydrophobicContact CB-CD2 3.81Å; F387-F417 HydrophobicContact CD2-CD2 4.5Å; F387-F417 HydrophobicContact CD2-CE2 4.29Å |
| 388 | P | 94.1 | Very high | 92.2 | Very high | 36 Ų | 36 | 41.4 Ų | 41.4 | 23% | 0.234 | 21% | 0.208 | C | C | . | . | S | Bend | cis | -64.9 | -166.7 | -10.1 | 30.3 | -35.8 | 0 | 0 | 0 | 111.5 | P390 I439 F441 | P388-P390 WeakPolarHBondContact O-CD 3.37Å; P388-P390 VanDerWaalsContact O-N 3.15Å; P388-I439 HydrophobicContact CG-CG2 4.27Å; P388-I439 VanDerWaalsContact O-CD1 3.31Å; P388-I439 WeakPolarHBondContact O-CD1 3.47Å; P388-F441 HydrophobicContact CG-CE1 3.7Å; P388-F441 HydrophobicContact CG-CZ 3.99Å |
| 389 | Q | 93.9 | Very high | 92.1 | Very high | 116 Ų | 116 | 40.7 Ų | 40.7 | 54% | 0.542 | 21% | 0.214 | S | C | . | . | P | Polyproline II helix | trans | -53 | 122.1 | -179.9 | -172.2 | -178.9 | -49 | 0 | 0 | 111 | L409 F417 | Q389-L409 HydrophobicContact CG-CD1 3.67Å; Q389-F417 HydrophobicContact CB-CD2 4.34Å; Q389-F417 HydrophobicContact CB-CE1 4.04Å; Q389-F417 HydrophobicContact CB-CE2 3.85Å; Q389-F417 HydrophobicContact CB-CZ 3.69Å; Q389-F417 HydrophobicContact CG-CD1 4.26Å; Q389-F417 HydrophobicContact CG-CE1 3.94Å; Q389-F417 HydrophobicContact CG-CZ 4.12Å |
| 390 | P | 94.6 | Very high | 91.9 | Very high | 6 Ų | 6 | 47.8 Ų | 47.8 | 4% | 0.039 | 25% | 0.245 | C | C | . | . | P | Polyproline II helix | trans | -80.6 | 159.4 | -175.9 | 33.1 | -36.7 | 0 | 0 | 0 | 112.7 | W386 P388 V392 V419 I437 S438 I439 | W386-P390 HydrophobicContact CB-CB 4.12Å; W386-P390 HydrophobicContact CB-CG 3.67Å; W386-P390 HydrophobicContact CD2-CB 4.16Å; W386-P390 HydrophobicContact CD2-CG 4.36Å; W386-P390 HydrophobicContact CE3-CB 4.03Å; W386-P390 HydrophobicContact CG-CB 4.2Å; W386-P390 HydrophobicContact CG-CG 3.91Å; P388-P390 WeakPolarHBondContact O-CD 3.37Å; P388-P390 VanDerWaalsContact O-N 3.15Å; P390-V392 HydrophobicContact CB-CG2 4.39Å; P390-V392 HydrophobicContact CG-CG2 4.16Å; P390-V419 HydrophobicContact CG-CG2 3.57Å; P390-I437 HydrophobicContact CB-CG2 3.71Å; P390-I437 HydrophobicContact CG-CG2 4.24Å; P390-S438 WeakPolarHBondContact CA-O 3.18Å; P390-I439 HydrophobicContact CB-CD1 4.01Å |
| 391 | H | 93.7 | Very high | 91.8 | Very high | 104 Ų | 104 | 50.7 Ų | 50.7 | 48% | 0.481 | 26% | 0.264 | S | S | . | . | B | Isolated β-bridge | trans | -92.3 | 130.4 | 167.6 | -173.1 | 56.1 | 0 | 0 | 0 | 109.9 | P393 I437 S438 P440 | H391-P393 VanDerWaalsContact CD2-CD 3.45Å; H391-P393 WeakPolarHBondContact CD2-CD 3.42Å; H391-I437 WeakPolarHBondContact O-CA 3.32Å; H391-S438 PolarHBondContact N-O 3.35Å; H391-S438 PolarHBondContact O-N 2.82Å; H391-P440 HydrophobicContact CB-CG 4.34Å |
| 392 | V | 93.9 | Very high | 91.5 | Very high | 5 Ų | 5 | 52.8 Ų | 52.8 | 3% | 0.03 | 28% | 0.275 | C | S | . | . | trans | -131.3 | 67.1 | -167.4 | -170.2 | 0 | 0 | 0 | 0 | 112.4 | P390 L409 V419 T421 S436 I437 | P390-V392 HydrophobicContact CB-CG2 4.39Å; P390-V392 HydrophobicContact CG-CG2 4.16Å; V392-L409 HydrophobicContact CG2-CD2 4.1Å; V392-V419 HydrophobicContact CB-CG1 4.29Å; V392-V419 HydrophobicContact CG1-CG1 3.7Å; V392-V419 HydrophobicContact CG2-CG1 3.67Å; V392-V419 HydrophobicContact CG2-CG2 4.2Å; V392-T421 HydrophobicContact CG1-CG2 3.66Å; V392-S436 CarbonylContact C-O 3.6Å; V392-S436 VanDerWaalsContact CA-O 3.3Å; V392-S436 WeakPolarHBondContact CA-O 3.36Å; V392-I437 HydrophobicContact CG1-CG1 4.1Å; V392-I437 HydrophobicContact CG2-CG1 4.45Å; V392-I437 HydrophobicContact CG2-CG2 4.18Å | ||
| 393 | P | 92.6 | Very high | 91.1 | Very high | 6 Ų | 6 | 57 Ų | 57 | 4% | 0.039 | 30% | 0.302 | C | S | . | . | trans | -79.5 | 140 | 176.1 | 30.2 | -34.3 | 0 | 0 | 0 | 112.4 | H391 T401 S436 | H391-P393 VanDerWaalsContact CD2-CD 3.45Å; H391-P393 WeakPolarHBondContact CD2-CD 3.42Å; P393-T401 HydrophobicContact CB-CG2 3.94Å; P393-S436 WeakPolarHBondContact CD-O 3.3Å; P393-S436 PolarHBondContact O-N 2.92Å | ||
| 394 | W | 93.3 | Very high | 90.7 | Very high | 2 Ų | 2 | 59.1 Ų | 59.1 | 1% | 0.008 | 32% | 0.317 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -80.3 | 145.9 | 157.2 | -71.3 | 91.9 | 0 | 0 | 0 | 109.9 | I367 P379 C381 T401 I402 T421 L423 V433 T434 C435 | I367-W394 HydrophobicContact CD1-CH2 4.2Å; I367-W394 HydrophobicContact CD1-CZ3 3.95Å; I367-W394 HydrophobicContact CG1-CH2 4.28Å; I367-W394 HydrophobicContact CG2-CH2 4.38Å; P379-W394 HydrophobicContact CB-CH2 4.27Å; C381-W394 HydrophobicContact CB-CH2 3.62Å; C381-W394 HydrophobicContact CB-CZ2 3.45Å; C381-W394 VanDerWaalsContact CB-CZ2 3.45Å; W394-T401 CarbonylContact O-C 3.54Å; W394-T401 VanDerWaalsContact O-CA 3.27Å; W394-T401 WeakPolarHBondContact O-CA 3.25Å; W394-I402 HydrophobicContact CB-CB 4.07Å; W394-I402 PolarHBondContact O-N 2.88Å; W394-T421 HydrophobicContact CZ2-CG2 3.91Å; W394-T421 PolarHBondContact NE1-OG1 2.8Å; W394-L423 HydrophobicContact CD2-CB 3.95Å; W394-L423 HydrophobicContact CD2-CD2 4.08Å; W394-L423 HydrophobicContact CE3-CB 4.41Å; W394-L423 HydrophobicContact CE3-CD2 3.95Å; W394-L423 HydrophobicContact CG-CB 4.3Å; W394-L423 HydrophobicContact CG-CD2 4.38Å; W394-L423 HydrophobicContact CZ2-CB 4.07Å; W394-L423 HydrophobicContact CZ3-CD2 4.46Å; W394-V433 HydrophobicContact CE3-CB 4.41Å; W394-V433 HydrophobicContact CE3-CG2 4.47Å; W394-V433 HydrophobicContact CZ3-CG2 4.12Å; W394-T434 CarbonylContact C-O 3.58Å; W394-T434 WeakPolarHBondContact CA-O 3.33Å; W394-C435 HydrophobicContact CD2-CB 4.4Å; W394-C435 HydrophobicContact CE3-CB 4.01Å; W394-C435 HydrophobicContact CH2-CB 4.07Å; W394-C435 HydrophobicContact CZ2-CB 4.43Å; W394-C435 HydrophobicContact CZ3-CB 3.83Å |
| 395 | R | 91.4 | Very high | 90.4 | Very high | 67 Ų | 67 | 58 Ų | 58 | 25% | 0.253 | 32% | 0.315 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.8 | 146.9 | -179.9 | -59.9 | -177.6 | -173.6 | -86.4 | 2.5 | 111.8 | G399 K400 T434 S436 E445 | R395-G399 PolarHBondContact NH1-O 2.94Å; R395-K400 VanDerWaalsContact CA-O 3.27Å; R395-K400 WeakPolarHBondContact CA-O 3.42Å; R395-T434 PolarHBondContact N-O 2.78Å; R395-T434 PolarHBondContact O-N 3.32Å; R395-S436 WeakPolarHBondContact CD-OG 3.37Å; R395-S436 PolarHBondContact NE-OG 3.26Å; R395-E445 IonicContact NE-OE1 3.47Å; R395-E445 IonicContact NH2-OE1 2.89Å; R395-E445 PolarHBondContact NH2-OE1 2.83Å |
| 396 | D | 87.1 | Confident | 90.3 | Very high | 34 Ų | 34 | 59.4 Ų | 59.4 | 18% | 0.182 | 32% | 0.322 | C | S | . | . | trans | -81.1 | -177.5 | 166.2 | 60.2 | 21.8 | 0 | 0 | 0 | 111.5 | E398 G399 K400 I402 | D396-E398 PolarHBondContact O-N 2.64Å; D396-E398 WeakPolarHBondContact OD1-CA 3.32Å; D396-E398 PolarHBondContact OD1-N 3.37Å; D396-E398 VanDerWaalsContact OD1-N 3.14Å; D396-G399 PolarHBondContact O-N 2.82Å; D396-G399 PolarHBondContact OD1-N 3.14Å; D396-K400 PolarHBondContact N-O 2.7Å; D396-K400 WeakPolarHBondContact OD1-CB 3.45Å; D396-K400 PolarHBondContact OD1-N 3.05Å; D396-K400 WeakPolarHBondContact OD2-CB 3.45Å; D396-I402 HydrophobicContact CB-CD1 3.97Å; D396-I402 HydrophobicContact CB-CG1 4.31Å | ||
| 397 | M | 82.9 | Confident | 90.2 | Very high | 112 Ų | 112 | 63.9 Ų | 63.9 | 55% | 0.552 | 34% | 0.343 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -64.3 | -26.2 | 179 | -72.5 | -62.9 | -77.5 | 0 | 0 | 113.2 | V431 D432 | M397-V431 HydrophobicContact CG-CG1 4.19Å; M397-D432 HydrophobicContact CG-CB 4.36Å; M397-D432 HydrophobicContact SD-CB 3.57Å; M397-D432 VanDerWaalsContact SD-CB 3.57Å |
| 398 | E | 85.1 | Confident | 90.1 | Very high | 154 Ų | 154 | 64.7 Ų | 64.7 | 72% | 0.72 | 35% | 0.354 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -82.7 | -1.3 | 175 | -63 | 72.8 | -157.5 | 0 | 0 | 112.4 | D396 K400 | D396-E398 PolarHBondContact O-N 2.64Å; D396-E398 WeakPolarHBondContact OD1-CA 3.32Å; D396-E398 PolarHBondContact OD1-N 3.37Å; D396-E398 VanDerWaalsContact OD1-N 3.14Å; E398-K400 VanDerWaalsContact C-N 3.3Å |
| 399 | G | 83.5 | Confident | 90.1 | Very high | 34 Ų | 34 | 64.8 Ų | 64.8 | 35% | 0.351 | 35% | 0.352 | S | S | . | . | trans | 80.3 | 7.1 | 178.7 | 0 | 0 | 0 | 0 | 0 | 114.3 | R395 D396 | R395-G399 PolarHBondContact NH1-O 2.94Å; D396-G399 PolarHBondContact O-N 2.82Å; D396-G399 PolarHBondContact OD1-N 3.14Å | ||
| 400 | K | 86.9 | Confident | 90.1 | Very high | 150 Ų | 150 | 62.8 Ų | 62.8 | 65% | 0.652 | 35% | 0.348 | S | S | * | . | P | Polyproline II helix | trans | -79.7 | 137.8 | -179.2 | 178.1 | -172.9 | 177.3 | -172.8 | 0 | 110.4 | R395 D396 E398 I402 | R395-K400 VanDerWaalsContact CA-O 3.27Å; R395-K400 WeakPolarHBondContact CA-O 3.42Å; D396-K400 PolarHBondContact N-O 2.7Å; D396-K400 WeakPolarHBondContact OD1-CB 3.45Å; D396-K400 PolarHBondContact OD1-N 3.05Å; D396-K400 WeakPolarHBondContact OD2-CB 3.45Å; E398-K400 VanDerWaalsContact C-N 3.3Å; K400-I402 PolarHBondContact O-N 3.09Å |
| 401 | T | 88.9 | Confident | 90 | Very high | 84 Ų | 84 | 67.8 Ų | 67.8 | 52% | 0.515 | 37% | 0.371 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -65.7 | 128.6 | -177.4 | -51 | 0 | 0 | 0 | 0 | 112 | P393 W394 | P393-T401 HydrophobicContact CB-CG2 3.94Å; W394-T401 CarbonylContact O-C 3.54Å; W394-T401 VanDerWaalsContact O-CA 3.27Å; W394-T401 WeakPolarHBondContact O-CA 3.25Å |
| 402 | I | 88.6 | Confident | 89.5 | Confident | 43 Ų | 43 | 65 Ų | 65 | 22% | 0.221 | 37% | 0.37 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.1 | 133.2 | 172.9 | -50 | 174.9 | 0 | 0 | 0 | 108.2 | W394 D396 K400 S404 L423 V433 | W394-I402 HydrophobicContact CB-CB 4.07Å; W394-I402 PolarHBondContact O-N 2.88Å; D396-I402 HydrophobicContact CB-CD1 3.97Å; D396-I402 HydrophobicContact CB-CG1 4.31Å; K400-I402 PolarHBondContact O-N 3.09Å; I402-S404 PolarHBondContact O-N 2.89Å; I402-L423 HydrophobicContact CB-CD1 4.45Å; I402-L423 HydrophobicContact CG2-CD1 3.58Å; I402-V433 HydrophobicContact CD1-CG1 4.22Å |
| 403 | P | 88.2 | Confident | 88.8 | Confident | 111 Ų | 111 | 70.4 Ų | 70.4 | 72% | 0.721 | 41% | 0.408 | S | S | * | . | P | Polyproline II helix | trans | -67.3 | 127.1 | 175.7 | 26.6 | -33 | 0 | 0 | 0 | 111.1 | L423 | P403-L423 WeakPolarHBondContact O-CD1 3.28Š|
| 404 | S | 88.6 | Confident | 88.5 | Confident | 45 Ų | 45 | 77.4 Ų | 77.4 | 32% | 0.315 | 44% | 0.44 | S | S | . | . | P | Polyproline II helix | trans | -66 | 145.5 | 170.3 | 56.9 | 0 | 0 | 0 | 0 | 110.9 | I402 T421 L422 | I402-S404 PolarHBondContact O-N 2.89Å; S404-T421 VanDerWaalsContact CB-OG1 3.3Å; S404-T421 WeakPolarHBondContact CB-OG1 3.42Å; S404-L422 CarbonylContact C-O 3.47Å; S404-L422 WeakPolarHBondContact CA-O 3.29Å; S404-L422 WeakPolarHBondContact CB-O 3.3Å |
| 405 | S | 88.4 | Confident | 88.3 | Confident | 60 Ų | 60 | 78 Ų | 78 | 42% | 0.42 | 45% | 0.446 | S | S | . | . | S | Bend | trans | -74.5 | -32.1 | 171 | 59.9 | 0 | 0 | 0 | 0 | 111.8 | L422 | S405-L422 PolarHBondContact N-O 3.39Å; S405-L422 VanDerWaalsContact OG-C 3.32Å; S405-L422 PolarHBondContact OG-O 2.85Å; S405-L422 VanDerWaalsContact OG-O 3.04Å |
| 406 | S | 90.6 | Very high | 88.4 | Confident | 54 Ų | 54 | 77.2 Ų | 77.2 | 38% | 0.378 | 45% | 0.447 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -152.7 | 157.1 | 168.1 | 72.5 | 0 | 0 | 0 | 0 | 111.9 | T421 L422 | S406-T421 WeakPolarHBondContact O-CA 3.49Å; S406-T421 PolarHBondContact O-OG1 3.16Å; S406-T421 VanDerWaalsContact O-OG1 3.05Å; S406-L422 PolarHBondContact N-O 2.85Å; S406-L422 PolarHBondContact O-N 2.95Å; S406-L422 WeakPolarHBondContact OG-CB 3.5Å; S406-L422 VanDerWaalsContact OG-CD1 3.25Å; S406-L422 WeakPolarHBondContact OG-CD1 3.31Å |
| 407 | Q | 92.7 | Very high | 88.8 | Confident | 96 Ų | 96 | 76.6 Ų | 76.6 | 45% | 0.449 | 44% | 0.443 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -143.7 | 124.7 | 176.3 | -175.2 | -175.3 | -61.5 | 0 | 0 | 109.1 | L409 Q420 | Q407-L409 HydrophobicContact CG-CD2 4.46Å; Q407-L409 HydrophobicContact CG-CG 4.26Å; Q407-L409 VanDerWaalsContact NE2-CD1 3.33Å; Q407-Q420 CarbonylContact C-O 3.59Å; Q407-Q420 WeakPolarHBondContact CA-O 3.19Å |
| 408 | A | 92.9 | Very high | 89.5 | Confident | 40 Ų | 40 | 73.2 Ų | 73.2 | 33% | 0.331 | 43% | 0.426 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.9 | 120.4 | 173 | 0 | 0 | 0 | 0 | 0 | 109.1 | Q420 | A408-Q420 HydrophobicContact CB-CB 4.38Å; A408-Q420 PolarHBondContact N-O 2.82Å; A408-Q420 PolarHBondContact O-N 3.04Å; A408-Q420 VanDerWaalsContact O-O 3.11Å |
| 409 | L | 93.4 | Very high | 90 | Very high | 38 Ų | 38 | 65.9 Ų | 65.9 | 20% | 0.199 | 39% | 0.391 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.9 | 90.7 | 173.8 | -61.4 | 178.5 | 0 | 0 | 0 | 107.4 | Q389 V392 Q407 F417 H418 V419 | Q389-L409 HydrophobicContact CG-CD1 3.67Å; V392-L409 HydrophobicContact CG2-CD2 4.1Å; Q407-L409 HydrophobicContact CG-CD2 4.46Å; Q407-L409 HydrophobicContact CG-CG 4.26Å; Q407-L409 VanDerWaalsContact NE2-CD1 3.33Å; L409-F417 HydrophobicContact CB-CD1 4.2Å; L409-H418 WeakPolarHBondContact CA-O 3.25Å; L409-V419 HydrophobicContact CD2-CB 4.21Å; L409-V419 HydrophobicContact CD2-CG1 4.05Å; L409-V419 HydrophobicContact CD2-CG2 3.83Å |
| 410 | T | 93.8 | Very high | 90.5 | Very high | 73 Ų | 73 | 67.7 Ų | 67.7 | 45% | 0.448 | 39% | 0.391 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.4 | 128.1 | -175.7 | 51.9 | 0 | 0 | 0 | 0 | 110.2 | F417 H418 | T410-F417 WeakPolarHBondContact O-CA 3.35Å; T410-H418 PolarHBondContact N-O 3.19Å; T410-H418 PolarHBondContact O-N 2.95Å |
| 411 | Q | 93.4 | Very high | 90.9 | Very high | 112 Ų | 112 | 60.6 Ų | 60.6 | 52% | 0.523 | 36% | 0.36 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.8 | 125.5 | 178.7 | -163.2 | 178.1 | 29.3 | 0 | 0 | 110.5 | G415 F417 | Q411-G415 WeakPolarHBondContact CG-O 3.3Å; Q411-G415 PolarHBondContact NE2-O 2.91Å; Q411-F417 HydrophobicContact CB-CD1 4.19Å; Q411-F417 HydrophobicContact CB-CE1 4.01Å; Q411-F417 HydrophobicContact CB-CZ 4.34Å; Q411-F417 HydrophobicContact CG-CE1 4.33Å; Q411-F417 HydrophobicContact CG-CE2 4.3Å; Q411-F417 HydrophobicContact CG-CZ 4.2Å |
| 412 | G | 83.9 | Confident | 91 | Very high | 46 Ų | 46 | 57.9 Ų | 57.9 | 47% | 0.474 | 34% | 0.342 | S | S | . | . | trans | -76.6 | 175.4 | 176.2 | 0 | 0 | 0 | 0 | 0 | 113.1 | H414 G415 L416 | G412-H414 PolarHBondContact O-N 3.19Å; G412-H414 VanDerWaalsContact O-N 3.13Å; G412-G415 PolarHBondContact O-N 3.06Å; G412-L416 PolarHBondContact N-O 2.85Å | ||
| 413 | S | 79.1 | Confident | 91.1 | Very high | 118 Ų | 118 | 56.1 Ų | 56.1 | 83% | 0.825 | 33% | 0.333 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60 | -23 | 177.7 | 54.4 | 0 | 0 | 0 | 0 | 114.3 | G415 | S413-G415 VanDerWaalsContact C-N 3.34Š|
| 414 | H | 84.7 | Confident | 91 | Very high | 152 Ų | 152 | 57.1 Ų | 57.1 | 70% | 0.704 | 32% | 0.322 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -89.8 | 5.5 | 176.2 | -62.1 | -60.6 | 0 | 0 | 0 | 113.5 | P333 G412 L416 | P333-H414 WeakPolarHBondContact CD-O 3.41Å; P333-H414 WeakPolarHBondContact CG-O 3.36Å; G412-H414 PolarHBondContact O-N 3.19Å; G412-H414 VanDerWaalsContact O-N 3.13Å; H414-L416 VanDerWaalsContact C-N 3.26Å; H414-L416 PolarHBondContact O-N 2.88Å |
| 415 | G | 89.7 | Confident | 90.6 | Very high | 14 Ų | 14 | 55.8 Ų | 55.8 | 14% | 0.144 | 31% | 0.313 | C | S | . | . | S | Bend | trans | 80.4 | -2.2 | 177.4 | 0 | 0 | 0 | 0 | 0 | 115.2 | F387 Q411 G412 S413 | F387-G415 VanDerWaalsContact CD2-O 3.28Å; F387-G415 WeakPolarHBondContact CD2-O 3.1Å; Q411-G415 WeakPolarHBondContact CG-O 3.3Å; Q411-G415 PolarHBondContact NE2-O 2.91Å; G412-G415 PolarHBondContact O-N 3.06Å; S413-G415 VanDerWaalsContact C-N 3.34Å |
| 416 | L | 94.6 | Very high | 89.8 | Confident | 52 Ų | 52 | 57.8 Ų | 57.8 | 27% | 0.272 | 32% | 0.322 | S | S | . | . | P | Polyproline II helix | trans | -81.2 | 141.9 | 175.4 | -60 | 175.6 | 0 | 0 | 0 | 111.1 | V259 P333 F387 G412 H414 | V259-L416 HydrophobicContact CG2-CD2 4.05Å; P333-L416 HydrophobicContact CG-CD2 3.77Å; P333-L416 HydrophobicContact CG-CG 4.25Å; F387-L416 HydrophobicContact CB-CD2 3.81Å; G412-L416 PolarHBondContact N-O 2.85Å; H414-L416 VanDerWaalsContact C-N 3.26Å; H414-L416 PolarHBondContact O-N 2.88Å |
| 417 | F | 95.5 | Very high | 88.7 | Confident | 21 Ų | 21 | 60.6 Ų | 60.6 | 9% | 0.092 | 33% | 0.333 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.3 | 131.6 | 177.7 | -71 | -91.9 | 0 | 0 | 0 | 111.3 | G385 W386 F387 Q389 L409 T410 Q411 | G385-F417 PolarHBondContact N-O 2.74Å; G385-F417 VanDerWaalsContact N-O 3.11Å; W386-F417 HydrophobicContact CB-CB 4.15Å; W386-F417 PolarHBondContact N-O 3.09Å; W386-F417 VanDerWaalsContact N-O 3.09Å; W386-F417 WeakPolarHBondContact O-CB 3.42Å; W386-F417 WeakPolarHBondContact O-CD2 3.35Å; W386-F417 PolarHBondContact O-N 2.96Å; F387-F417 HydrophobicContact CD2-CD2 4.5Å; F387-F417 HydrophobicContact CD2-CE2 4.29Å; Q389-F417 HydrophobicContact CB-CD2 4.34Å; Q389-F417 HydrophobicContact CB-CE1 4.04Å; Q389-F417 HydrophobicContact CB-CE2 3.85Å; Q389-F417 HydrophobicContact CB-CZ 3.69Å; Q389-F417 HydrophobicContact CG-CD1 4.26Å; Q389-F417 HydrophobicContact CG-CE1 3.94Å; Q389-F417 HydrophobicContact CG-CZ 4.12Å; L409-F417 HydrophobicContact CB-CD1 4.2Å; T410-F417 WeakPolarHBondContact O-CA 3.35Å; Q411-F417 HydrophobicContact CB-CD1 4.19Å; Q411-F417 HydrophobicContact CB-CE1 4.01Å; Q411-F417 HydrophobicContact CB-CZ 4.34Å; Q411-F417 HydrophobicContact CG-CE1 4.33Å; Q411-F417 HydrophobicContact CG-CE2 4.3Å; Q411-F417 HydrophobicContact CG-CZ 4.2Å |
| 418 | H | 95.9 | Very high | 87.2 | Confident | 40 Ų | 40 | 59.9 Ų | 59.9 | 19% | 0.185 | 33% | 0.331 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.2 | 130.1 | 159 | 177.5 | 76.4 | 0 | 0 | 0 | 108.4 | S382 S383 D384 L409 T410 Q420 | S382-H418 PolarHBondContact OG-CE1 2.91Å; S383-H418 PolarHBondContact O-ND1 3.11Å; D384-H418 IonicContact OD1-CE1 3.59Å; D384-H418 IonicContact OD1-CG 3.11Å; D384-H418 IonicContact OD1-ND1 2.68Å; D384-H418 PolarHBondContact OD1-ND1 3.17Å; D384-H418 IonicContact OD2-CE1 3.27Å; D384-H418 IonicContact OD2-ND1 3.56Å; D384-H418 PolarHBondContact OD2-ND1 2.76Å; L409-H418 WeakPolarHBondContact CA-O 3.25Å; T410-H418 PolarHBondContact N-O 3.19Å; T410-H418 PolarHBondContact O-N 2.95Å; H418-Q420 VanDerWaalsContact NE2-CD 3.25Å; H418-Q420 WeakPolarHBondContact NE2-CG 3.28Å; H418-Q420 PolarHBondContact NE2-NE2 3.16Å |
| 419 | V | 95.7 | Very high | 85.5 | Confident | 0 Ų | 0 | 60.7 Ų | 60.7 | 0% | 0 | 34% | 0.335 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.9 | 128.2 | -178.3 | 177.1 | 0 | 0 | 0 | 0 | 108.1 | S382 S383 W386 P390 V392 L409 I437 | S382-V419 CarbonylContact C-O 3.57Å; S382-V419 WeakPolarHBondContact CA-O 3.32Å; S382-V419 PolarHBondContact OG-O 3.04Å; S383-V419 PolarHBondContact N-O 2.88Å; S383-V419 PolarHBondContact O-N 2.85Å; W386-V419 HydrophobicContact CG-CG2 4.33Å; P390-V419 HydrophobicContact CG-CG2 3.57Å; V392-V419 HydrophobicContact CB-CG1 4.29Å; V392-V419 HydrophobicContact CG1-CG1 3.7Å; V392-V419 HydrophobicContact CG2-CG1 3.67Å; V392-V419 HydrophobicContact CG2-CG2 4.2Å; L409-V419 HydrophobicContact CD2-CB 4.21Å; L409-V419 HydrophobicContact CD2-CG1 4.05Å; L409-V419 HydrophobicContact CD2-CG2 3.83Å; V419-I437 HydrophobicContact CB-CD1 4.4Å; V419-I437 HydrophobicContact CG1-CD1 4.11Å |
| 420 | Q | 95.3 | Very high | 83.8 | Confident | 73 Ų | 73 | 62.9 Ų | 62.9 | 34% | 0.341 | 36% | 0.359 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.7 | 126.2 | 163.3 | -67.5 | -179.9 | -42.1 | 0 | 0 | 108.7 | C381 Q407 A408 H418 | C381-Q420 CarbonylContact O-C 3.58Å; C381-Q420 WeakPolarHBondContact O-CA 3.23Å; Q407-Q420 CarbonylContact C-O 3.59Å; Q407-Q420 WeakPolarHBondContact CA-O 3.19Å; A408-Q420 HydrophobicContact CB-CB 4.38Å; A408-Q420 PolarHBondContact N-O 2.82Å; A408-Q420 PolarHBondContact O-N 3.04Å; A408-Q420 VanDerWaalsContact O-O 3.11Å; H418-Q420 VanDerWaalsContact NE2-CD 3.25Å; H418-Q420 WeakPolarHBondContact NE2-CG 3.28Å; H418-Q420 PolarHBondContact NE2-NE2 3.16Å |
| 421 | T | 94.4 | Very high | 82.8 | Confident | 0 Ų | 0 | 61.9 Ų | 61.9 | 0% | 0 | 35% | 0.352 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.3 | 137.4 | 171.5 | 179 | 0 | 0 | 0 | 0 | 110 | M380 C381 V392 W394 S404 S406 | M380-T421 CarbonylContact C-O 3.58Å; M380-T421 WeakPolarHBondContact CA-O 3.09Å; C381-T421 HydrophobicContact CB-CG2 3.73Å; C381-T421 PolarHBondContact N-O 2.8Å; C381-T421 PolarHBondContact O-N 2.88Å; V392-T421 HydrophobicContact CG1-CG2 3.66Å; W394-T421 HydrophobicContact CZ2-CG2 3.91Å; W394-T421 PolarHBondContact NE1-OG1 2.8Å; S404-T421 VanDerWaalsContact CB-OG1 3.3Å; S404-T421 WeakPolarHBondContact CB-OG1 3.42Å; S406-T421 WeakPolarHBondContact O-CA 3.49Å; S406-T421 PolarHBondContact O-OG1 3.16Å; S406-T421 VanDerWaalsContact O-OG1 3.05Å |
| 422 | L | 92.4 | Very high | 82.3 | Confident | 27 Ų | 27 | 58.3 Ų | 58.3 | 14% | 0.141 | 34% | 0.337 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.8 | 141.2 | 177 | -67.5 | 163.3 | 0 | 0 | 0 | 108.9 | Q378 M380 S404 S405 S406 | Q378-L422 HydrophobicContact CG-CB 4.35Å; Q378-L422 HydrophobicContact CG-CD2 4.07Å; M380-L422 HydrophobicContact CB-CD2 3.43Å; M380-L422 VanDerWaalsContact CB-CD2 3.43Å; M380-L422 HydrophobicContact CG-CD2 3.68Å; M380-L422 HydrophobicContact CG-CG 4.33Å; M380-L422 HydrophobicContact SD-CD2 4.25Å; S404-L422 CarbonylContact C-O 3.47Å; S404-L422 WeakPolarHBondContact CA-O 3.29Å; S404-L422 WeakPolarHBondContact CB-O 3.3Å; S405-L422 PolarHBondContact N-O 3.39Å; S405-L422 VanDerWaalsContact OG-C 3.32Å; S405-L422 PolarHBondContact OG-O 2.85Å; S405-L422 VanDerWaalsContact OG-O 3.04Å; S406-L422 PolarHBondContact N-O 2.85Å; S406-L422 PolarHBondContact O-N 2.95Å; S406-L422 WeakPolarHBondContact OG-CB 3.5Å; S406-L422 VanDerWaalsContact OG-CD1 3.25Å; S406-L422 WeakPolarHBondContact OG-CD1 3.31Å |
| 423 | L | 90.4 | Very high | 82.6 | Confident | 6 Ų | 6 | 56.4 Ų | 56.4 | 3% | 0.031 | 32% | 0.316 | C | S | . | . | trans | -117.5 | 136 | 169.2 | 175.2 | 69.2 | 0 | 0 | 0 | 107.8 | Q378 P379 W394 I402 P403 V425 V433 | Q378-L423 WeakPolarHBondContact CA-O 3.34Å; Q378-L423 WeakPolarHBondContact CG-O 3.47Å; P379-L423 WeakPolarHBondContact CD-O 3.26Å; P379-L423 HydrophobicContact CG-CB 4.15Å; P379-L423 HydrophobicContact CG-CD2 4.45Å; P379-L423 PolarHBondContact O-N 2.89Å; W394-L423 HydrophobicContact CD2-CB 3.95Å; W394-L423 HydrophobicContact CD2-CD2 4.08Å; W394-L423 HydrophobicContact CE3-CB 4.41Å; W394-L423 HydrophobicContact CE3-CD2 3.95Å; W394-L423 HydrophobicContact CG-CB 4.3Å; W394-L423 HydrophobicContact CG-CD2 4.38Å; W394-L423 HydrophobicContact CZ2-CB 4.07Å; W394-L423 HydrophobicContact CZ3-CD2 4.46Å; I402-L423 HydrophobicContact CB-CD1 4.45Å; I402-L423 HydrophobicContact CG2-CD1 3.58Å; P403-L423 WeakPolarHBondContact O-CD1 3.28Å; L423-V425 HydrophobicContact CD2-CG2 4Å; L423-V425 HydrophobicContact CG-CG2 4.01Å; L423-V433 HydrophobicContact CD2-CB 4.18Å; L423-V433 HydrophobicContact CD2-CG1 3.99Å; L423-V433 HydrophobicContact CD2-CG2 4.37Å | ||
| 424 | R | 85.9 | Confident | 83.3 | Confident | 132 Ų | 132 | 51.7 Ų | 51.7 | 50% | 0.498 | 28% | 0.282 | S | S | . | . | trans | -101.7 | 122.1 | 174 | -178 | 178.6 | -73.1 | -139.9 | 1 | 108.9 | E376 T426 | E376-R424 IonicContact OE1-NH1 3.36Å; E376-R424 WeakPolarHBondContact OE2-CD 3.49Å; E376-R424 IonicContact OE2-CZ 3.06Å; E376-R424 VanDerWaalsContact OE2-CZ 3.27Å; E376-R424 IonicContact OE2-NE 3.71Å; E376-R424 IonicContact OE2-NH1 3.25Å; E376-R424 PolarHBondContact OE2-NH1 3Å; R424-T426 HydrophobicContact CG-CG2 4.47Å | ||
| 425 | V | 79.8 | Confident | 83.7 | Confident | 18 Ų | 18 | 44.5 Ų | 44.5 | 11% | 0.109 | 25% | 0.249 | C | C | . | . | B | Isolated β-bridge | trans | -115.8 | 117.1 | -178.3 | -174.8 | 0 | 0 | 0 | 0 | 109.5 | M377 P379 L423 L452 | M377-V425 PolarHBondContact N-O 2.67Å; M377-V425 VanDerWaalsContact N-O 3.09Å; M377-V425 PolarHBondContact O-N 2.88Å; P379-V425 HydrophobicContact CG-CG2 4.26Å; L423-V425 HydrophobicContact CD2-CG2 4Å; L423-V425 HydrophobicContact CG-CG2 4.01Å; V425-L452 HydrophobicContact CG1-CD1 3.95Å |
| 426 | T | 71.6 | Confident | 83.9 | Confident | 101 Ų | 101 | 43.9 Ų | 43.9 | 62% | 0.62 | 24% | 0.242 | S | C | * | . | trans | -105.6 | -12.9 | -177.9 | 54.8 | 0 | 0 | 0 | 0 | 113.6 | E376 R424 | E376-T426 HydrophobicContact CG-CG2 4.16Å; E376-T426 WeakPolarHBondContact OE1-CG2 3.39Å; R424-T426 HydrophobicContact CG-CG2 4.47Å | ||
| 427 | N | 67.3 | Low | 84 | Confident | 114 Ų | 114 | 41.4 Ų | 41.4 | 61% | 0.61 | 23% | 0.229 | S | C | * | . | trans | -126.9 | 100.6 | -179.8 | -171.8 | -19.6 | 0 | 0 | 0 | 109 | S429 | N427-S429 PolarHBondContact O-N 2.74Å; N427-S429 PolarHBondContact OD1-N 2.87Å; N427-S429 PolarHBondContact OD1-OG 2.77Å | ||
| 428 | I | 60.4 | Low | 83.8 | Confident | 80 Ų | 80 | 41.3 Ų | 41.3 | 41% | 0.41 | 23% | 0.231 | S | C | . | . | trans | -81.3 | 51 | -178.5 | -44.3 | 170.7 | 0 | 0 | 0 | 109.5 | L452 | I428-L452 HydrophobicContact CG2-CB 4.48Š| ||
| 429 | S | 57.9 | Low | 83.6 | Confident | 57 Ų | 57 | 39.5 Ų | 39.5 | 40% | 0.399 | 22% | 0.223 | S | C | . | . | trans | -69.7 | 144.1 | 162 | 5.2 | 0 | 0 | 0 | 0 | 107.2 | N427 V431 | N427-S429 PolarHBondContact O-N 2.74Å; N427-S429 PolarHBondContact OD1-N 2.87Å; N427-S429 PolarHBondContact OD1-OG 2.77Å; S429-V431 PolarHBondContact O-N 2.91Å | ||
| 430 | A | 58.2 | Low | 82.9 | Confident | 85 Ų | 85 | 44.2 Ų | 44.2 | 70% | 0.702 | 25% | 0.254 | S | S | * | . | S | Bend | trans | -63.1 | 80.9 | -178.5 | 0 | 0 | 0 | 0 | 0 | 111.8 | ||
| 431 | V | 71.6 | Confident | 82.4 | Confident | 52 Ų | 52 | 46.1 Ų | 46.1 | 32% | 0.315 | 26% | 0.261 | S | S | . | . | trans | -129.7 | 124.3 | -178 | -176.7 | 0 | 0 | 0 | 0 | 107 | M397 S429 L452 | M397-V431 HydrophobicContact CG-CG1 4.19Å; S429-V431 PolarHBondContact O-N 2.91Å; V431-L452 WeakPolarHBondContact O-CB 3.29Å; V431-L452 WeakPolarHBondContact O-CD1 3.43Å; V431-L452 WeakPolarHBondContact O-CG 3.39Å | ||
| 432 | D | 84.8 | Confident | 81.8 | Confident | 37 Ų | 37 | 47.7 Ų | 47.7 | 20% | 0.198 | 27% | 0.269 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -79.1 | 142.1 | 173.2 | -47.8 | -41.1 | 0 | 0 | 0 | 109.3 | M397 T449 F450 S451 | M397-D432 HydrophobicContact CG-CB 4.36Å; M397-D432 HydrophobicContact SD-CB 3.57Å; M397-D432 VanDerWaalsContact SD-CB 3.57Å; D432-T449 HydrophobicContact CB-CG2 3.65Å; D432-F450 WeakPolarHBondContact CA-O 3.14Å; D432-S451 VanDerWaalsContact CG-OG 3.31Å; D432-S451 WeakPolarHBondContact OD1-CA 3.47Å; D432-S451 WeakPolarHBondContact OD1-CB 3.34Å; D432-S451 PolarHBondContact OD1-OG 3.47Å |
| 433 | V | 89.2 | Confident | 80.9 | Confident | 6 Ų | 6 | 50.3 Ų | 50.3 | 4% | 0.036 | 30% | 0.303 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.5 | 139.5 | 175.9 | -65.7 | 0 | 0 | 0 | 0 | 109.3 | W394 I402 L423 T449 F450 | W394-V433 HydrophobicContact CE3-CB 4.41Å; W394-V433 HydrophobicContact CE3-CG2 4.47Å; W394-V433 HydrophobicContact CZ3-CG2 4.12Å; I402-V433 HydrophobicContact CD1-CG1 4.22Å; L423-V433 HydrophobicContact CD2-CB 4.18Å; L423-V433 HydrophobicContact CD2-CG1 3.99Å; L423-V433 HydrophobicContact CD2-CG2 4.37Å; V433-T449 CarbonylContact O-C 3.59Å; V433-T449 WeakPolarHBondContact O-CA 3.11Å; V433-F450 HydrophobicContact CG2-CB 4.17Å; V433-F450 HydrophobicContact CG2-CD1 4.42Å; V433-F450 PolarHBondContact N-O 3.03Å; V433-F450 PolarHBondContact O-N 3.02Å |
| 434 | T | 93.3 | Very high | 80.4 | Confident | 19 Ų | 19 | 55 Ų | 55 | 12% | 0.117 | 32% | 0.324 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.6 | 121.5 | -178.2 | -61.1 | 0 | 0 | 0 | 0 | 110.6 | W394 R395 I447 A448 T449 | W394-T434 CarbonylContact C-O 3.58Å; W394-T434 WeakPolarHBondContact CA-O 3.33Å; R395-T434 PolarHBondContact N-O 2.78Å; R395-T434 PolarHBondContact O-N 3.32Å; T434-I447 HydrophobicContact CG2-CB 3.86Å; T434-I447 HydrophobicContact CG2-CG2 4.24Å; T434-A448 CarbonylContact C-O 3.56Å; T434-A448 VanDerWaalsContact CA-O 3.3Å; T434-A448 WeakPolarHBondContact CA-O 3.33Å; T434-T449 PolarHBondContact OG1-OG1 2.83Å |
| 435 | C | 94.5 | Very high | 80.5 | Confident | 0 Ų | 0 | 52.8 Ų | 52.8 | 0% | 0 | 32% | 0.32 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.6 | 124.8 | 166.3 | 177.7 | 0 | 0 | 0 | 0 | 108.4 | I367 C381 W394 I447 A448 | I367-C435 HydrophobicContact CD1-CB 4.02Å; I367-C435 HydrophobicContact CG1-CB 4.33Å; C381-C435 HydrophobicContact CB-CB 3.52Å; C381-C435 WeakPolarHBondContact CB-SG 3.24Å; C381-C435 WeakPolarHBondContact SG-CB 3.45Å; C381-C435 CovalentContact SG-SG 2.03Å; C381-C435 PolarHBondContact SG-SG 3.17Å; W394-C435 HydrophobicContact CD2-CB 4.4Å; W394-C435 HydrophobicContact CE3-CB 4.01Å; W394-C435 HydrophobicContact CH2-CB 4.07Å; W394-C435 HydrophobicContact CZ2-CB 4.43Å; W394-C435 HydrophobicContact CZ3-CB 3.83Å; C435-I447 CarbonylContact O-C 3.54Å; C435-I447 VanDerWaalsContact O-CA 3.28Å; C435-I447 WeakPolarHBondContact O-CA 3.38Å; C435-A448 PolarHBondContact N-O 3.43Å; C435-A448 PolarHBondContact O-N 2.83Å |
| 436 | S | 93.8 | Very high | 81.2 | Confident | 1 Ų | 1 | 55.2 Ų | 55.2 | 1% | 0.007 | 33% | 0.329 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.7 | 133.3 | 179.2 | -37.9 | 0 | 0 | 0 | 0 | 109.9 | V392 P393 R395 E445 | V392-S436 CarbonylContact C-O 3.6Å; V392-S436 VanDerWaalsContact CA-O 3.3Å; V392-S436 WeakPolarHBondContact CA-O 3.36Å; P393-S436 WeakPolarHBondContact CD-O 3.3Å; P393-S436 PolarHBondContact O-N 2.92Å; R395-S436 WeakPolarHBondContact CD-OG 3.37Å; R395-S436 PolarHBondContact NE-OG 3.26Å; S436-E445 VanDerWaalsContact CB-CD 3.48Å; S436-E445 WeakPolarHBondContact CB-OE1 3.46Å |
| 437 | I | 95 | Very high | 82.3 | Confident | 0 Ų | 0 | 55.1 Ų | 55.1 | 0% | 0 | 32% | 0.324 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.6 | 123.4 | 179.7 | -50.8 | -179.2 | 0 | 0 | 0 | 108.9 | P365 W386 P390 H391 V392 V419 E445 K446 | P365-I437 HydrophobicContact CB-CD1 3.85Å; P365-I437 HydrophobicContact CB-CG1 4.42Å; P365-I437 HydrophobicContact CG-CD1 4.37Å; W386-I437 HydrophobicContact CD2-CG2 3.67Å; W386-I437 VanDerWaalsContact CE2-CG2 3.42Å; W386-I437 HydrophobicContact CE3-CG2 3.8Å; W386-I437 HydrophobicContact CG-CG2 4.46Å; W386-I437 HydrophobicContact CH2-CB 3.74Å; W386-I437 HydrophobicContact CH2-CG2 3.46Å; W386-I437 VanDerWaalsContact CH2-CG2 3.46Å; W386-I437 HydrophobicContact CZ2-CB 3.64Å; W386-I437 HydrophobicContact CZ2-CD1 4.15Å; W386-I437 HydrophobicContact CZ2-CG1 4.48Å; W386-I437 HydrophobicContact CZ2-CG2 3.34Å; W386-I437 HydrophobicContact CZ3-CB 4.39Å; W386-I437 HydrophobicContact CZ3-CG2 3.7Å; P390-I437 HydrophobicContact CB-CG2 3.71Å; P390-I437 HydrophobicContact CG-CG2 4.24Å; H391-I437 WeakPolarHBondContact O-CA 3.32Å; V392-I437 HydrophobicContact CG1-CG1 4.1Å; V392-I437 HydrophobicContact CG2-CG1 4.45Å; V392-I437 HydrophobicContact CG2-CG2 4.18Å; V419-I437 HydrophobicContact CB-CD1 4.4Å; V419-I437 HydrophobicContact CG1-CD1 4.11Å; I437-E445 CarbonylContact O-C 3.59Å; I437-E445 WeakPolarHBondContact O-CA 3.34Å; I437-K446 PolarHBondContact N-O 2.88Å; I437-K446 PolarHBondContact O-N 3.13Å |
| 438 | S | 93.3 | Very high | 83.5 | Confident | 19 Ų | 19 | 50.5 Ų | 50.5 | 13% | 0.133 | 30% | 0.302 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -141.3 | 157.9 | -179 | 53.5 | 0 | 0 | 0 | 0 | 112.4 | P390 H391 E444 | P390-S438 WeakPolarHBondContact CA-O 3.18Å; H391-S438 PolarHBondContact N-O 3.35Å; H391-S438 PolarHBondContact O-N 2.82Å; S438-E444 WeakPolarHBondContact CB-O 3.27Å |
| 439 | I | 91.1 | Very high | 85 | Confident | 2 Ų | 2 | 50.4 Ų | 50.4 | 1% | 0.01 | 31% | 0.305 | C | S | . | . | trans | -98.3 | 120.4 | 165.8 | -60.1 | -60.7 | 0 | 0 | 0 | 107.3 | W386 P388 P390 F441 L442 | W386-I439 HydrophobicContact CE3-CD1 4.11Å; W386-I439 HydrophobicContact CE3-CG1 4.28Å; P388-I439 HydrophobicContact CG-CG2 4.27Å; P388-I439 VanDerWaalsContact O-CD1 3.31Å; P388-I439 WeakPolarHBondContact O-CD1 3.47Å; P390-I439 HydrophobicContact CB-CD1 4.01Å; I439-F441 HydrophobicContact CG2-CD1 3.86Å; I439-F441 HydrophobicContact CG2-CD2 4.34Å; I439-F441 HydrophobicContact CG2-CE1 3.45Å; I439-F441 VanDerWaalsContact CG2-CE1 3.45Å; I439-F441 HydrophobicContact CG2-CE2 3.98Å; I439-F441 HydrophobicContact CG2-CG 4.29Å; I439-F441 HydrophobicContact CG2-CZ 3.52Å; I439-F441 PolarHBondContact O-N 2.84Å; I439-L442 HydrophobicContact CB-CB 3.95Å; I439-L442 HydrophobicContact CB-CD1 3.97Å; I439-L442 HydrophobicContact CG1-CD1 4.35Å; I439-L442 HydrophobicContact CG2-CB 4.17Å; I439-L442 HydrophobicContact CG2-CD1 3.92Å; I439-L442 PolarHBondContact O-N 2.83Å | ||
| 440 | P | 81.5 | Confident | 86.4 | Confident | 100 Ų | 100 | 49.2 Ų | 49.2 | 65% | 0.649 | 29% | 0.292 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -53.4 | -31.1 | -166.2 | -31.3 | 35.1 | 0 | 0 | 0 | 116.6 | H391 | H391-P440 HydrophobicContact CB-CG 4.34Š|
| 441 | F | 84.4 | Confident | 87.6 | Confident | 113 Ų | 113 | 47.7 Ų | 47.7 | 50% | 0.496 | 28% | 0.277 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -96 | -4.2 | -178.1 | 58.6 | -98.3 | 0 | 0 | 0 | 114.3 | L256 V359 P388 I439 | L256-F441 HydrophobicContact CD1-CE2 4.12Å; V359-F441 HydrophobicContact CG1-CE2 3.84Å; V359-F441 HydrophobicContact CG1-CZ 3.82Å; P388-F441 HydrophobicContact CG-CE1 3.7Å; P388-F441 HydrophobicContact CG-CZ 3.99Å; I439-F441 HydrophobicContact CG2-CD1 3.86Å; I439-F441 HydrophobicContact CG2-CD2 4.34Å; I439-F441 HydrophobicContact CG2-CE1 3.45Å; I439-F441 VanDerWaalsContact CG2-CE1 3.45Å; I439-F441 HydrophobicContact CG2-CE2 3.98Å; I439-F441 HydrophobicContact CG2-CG 4.29Å; I439-F441 HydrophobicContact CG2-CZ 3.52Å; I439-F441 PolarHBondContact O-N 2.84Å |
| 442 | L | 81 | Confident | 87.6 | Confident | 32 Ų | 32 | 45.6 Ų | 45.6 | 17% | 0.168 | 26% | 0.264 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -100 | -8.4 | -169.6 | -117.1 | 157.7 | 0 | 0 | 0 | 113.4 | L256 V359 L361 I439 E444 | L256-L442 HydrophobicContact CD2-CD2 4.07Å; L256-L442 HydrophobicContact CD2-CG 4.47Å; V359-L442 HydrophobicContact CB-CD1 3.8Å; V359-L442 HydrophobicContact CG1-CD1 3.54Å; V359-L442 HydrophobicContact CG2-CD1 4.1Å; L361-L442 HydrophobicContact CD2-CD1 4.17Å; I439-L442 HydrophobicContact CB-CB 3.95Å; I439-L442 HydrophobicContact CB-CD1 3.97Å; I439-L442 HydrophobicContact CG1-CD1 4.35Å; I439-L442 HydrophobicContact CG2-CB 4.17Å; I439-L442 HydrophobicContact CG2-CD1 3.92Å; I439-L442 PolarHBondContact O-N 2.83Å; L442-E444 PolarHBondContact O-N 3.43Å |
| 443 | G | 74.9 | Confident | 86.5 | Confident | 83 Ų | 83 | 47.9 Ų | 47.9 | 86% | 0.856 | 28% | 0.283 | S | S | * | . | trans | 63.4 | -11.6 | 177.6 | 0 | 0 | 0 | 0 | 0 | 115.6 | ||||
| 444 | E | 78.6 | Confident | 84.8 | Confident | 103 Ų | 103 | 50.6 Ų | 50.6 | 48% | 0.481 | 31% | 0.312 | S | S | . | . | trans | -90.3 | 132.3 | 176.3 | -65.4 | -174.5 | 179.1 | 0 | 0 | 110.8 | L361 S438 L442 | L361-E444 WeakPolarHBondContact CD1-OE2 3.28Å; S438-E444 WeakPolarHBondContact CB-O 3.27Å; L442-E444 PolarHBondContact O-N 3.43Å | ||
| 445 | E | 89.3 | Confident | 82.7 | Confident | 86 Ų | 86 | 61.2 Ų | 61.2 | 40% | 0.402 | 35% | 0.35 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.7 | 135.4 | 178.4 | -173.3 | 175.5 | -131.8 | 0 | 0 | 109.2 | R395 S436 I437 I447 | R395-E445 IonicContact NE-OE1 3.47Å; R395-E445 IonicContact NH2-OE1 2.89Å; R395-E445 PolarHBondContact NH2-OE1 2.83Å; S436-E445 VanDerWaalsContact CB-CD 3.48Å; S436-E445 WeakPolarHBondContact CB-OE1 3.46Å; I437-E445 CarbonylContact O-C 3.59Å; I437-E445 WeakPolarHBondContact O-CA 3.34Å; E445-I447 HydrophobicContact CG-CG2 3.95Å |
| 446 | K | 93.3 | Very high | 82.1 | Confident | 69 Ų | 69 | 64.3 Ų | 64.3 | 30% | 0.3 | 37% | 0.367 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.2 | 130.6 | 169.8 | -65.1 | -167.7 | 174.3 | -162.5 | 0 | 109.1 | G362 P365 W386 I437 | G362-K446 WeakPolarHBondContact O-CE 3.43Å; G362-K446 PolarHBondContact O-NZ 3.41Å; P365-K446 HydrophobicContact CG-CB 4.49Å; W386-K446 HydrophobicContact CH2-CB 3.94Å; W386-K446 HydrophobicContact CH2-CD 3.83Å; W386-K446 HydrophobicContact CH2-CG 3.88Å; W386-K446 HydrophobicContact CZ2-CB 4.3Å; W386-K446 HydrophobicContact CZ2-CD 4.04Å; W386-K446 HydrophobicContact CZ2-CG 4.45Å; I437-K446 PolarHBondContact N-O 2.88Å; I437-K446 PolarHBondContact O-N 3.13Å |
| 447 | I | 94.1 | Very high | 81.4 | Confident | 99 Ų | 99 | 67.6 Ų | 67.6 | 51% | 0.508 | 39% | 0.386 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.7 | 150.7 | -175.8 | 64.3 | 173.6 | 0 | 0 | 0 | 111.6 | P365 T434 C435 E445 | P365-I447 VanDerWaalsContact CG-C 3.48Å; T434-I447 HydrophobicContact CG2-CB 3.86Å; T434-I447 HydrophobicContact CG2-CG2 4.24Å; C435-I447 CarbonylContact O-C 3.54Å; C435-I447 VanDerWaalsContact O-CA 3.28Å; C435-I447 WeakPolarHBondContact O-CA 3.38Å; E445-I447 HydrophobicContact CG-CG2 3.95Å |
| 448 | A | 93.8 | Very high | 80.7 | Confident | 18 Ų | 18 | 71.4 Ų | 71.4 | 15% | 0.149 | 41% | 0.408 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.2 | 135.4 | 165 | 0 | 0 | 0 | 0 | 0 | 108.8 | P365 I367 T434 C435 | P365-A448 HydrophobicContact CB-CB 3.88Å; P365-A448 HydrophobicContact CG-CB 3.69Å; P365-A448 VanDerWaalsContact O-CB 3.3Å; P365-A448 WeakPolarHBondContact O-CB 3.37Å; I367-A448 HydrophobicContact CD1-CB 3.92Å; I367-A448 VanDerWaalsContact CD1-O 3.28Å; I367-A448 WeakPolarHBondContact CD1-O 3.32Å; I367-A448 HydrophobicContact CG1-CB 4.04Å; T434-A448 CarbonylContact C-O 3.56Å; T434-A448 VanDerWaalsContact CA-O 3.3Å; T434-A448 WeakPolarHBondContact CA-O 3.33Å; C435-A448 PolarHBondContact N-O 3.43Å; C435-A448 PolarHBondContact O-N 2.83Å |
| 449 | T | 91.6 | Very high | 80 | Confident | 78 Ų | 78 | 74.5 Ų | 74.5 | 48% | 0.479 | 42% | 0.424 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -113 | 136 | -179 | -55.7 | 0 | 0 | 0 | 0 | 109.2 | D432 V433 T434 | D432-T449 HydrophobicContact CB-CG2 3.65Å; V433-T449 CarbonylContact O-C 3.59Å; V433-T449 WeakPolarHBondContact O-CA 3.11Å; T434-T449 PolarHBondContact OG1-OG1 2.83Å |
| 450 | F | 87.9 | Confident | 79.3 | Confident | 31 Ų | 31 | 79 Ų | 79 | 14% | 0.136 | 45% | 0.45 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.8 | 124.3 | 176.8 | -179.5 | -97.2 | 0 | 0 | 0 | 109.6 | I367 V369 M377 D432 V433 L452 | I367-F450 HydrophobicContact CB-CB 4.2Å; I367-F450 HydrophobicContact CD1-CB 3.78Å; I367-F450 HydrophobicContact CG2-CB 3.77Å; I367-F450 HydrophobicContact CG2-CD2 4.01Å; I367-F450 HydrophobicContact CG2-CG 3.92Å; V369-F450 HydrophobicContact CG2-CE1 4.14Å; V369-F450 HydrophobicContact CG2-CE2 4.01Å; V369-F450 HydrophobicContact CG2-CZ 3.54Å; M377-F450 HydrophobicContact SD-CE1 3.67Å; M377-F450 HydrophobicContact SD-CZ 4.26Å; D432-F450 WeakPolarHBondContact CA-O 3.14Å; V433-F450 HydrophobicContact CG2-CB 4.17Å; V433-F450 HydrophobicContact CG2-CD1 4.42Å; V433-F450 PolarHBondContact N-O 3.03Å; V433-F450 PolarHBondContact O-N 3.02Å; F450-L452 HydrophobicContact CD1-CD2 4.09Å; F450-L452 HydrophobicContact CE1-CD2 3.94Å |
| 451 | S | 82.2 | Confident | 79.1 | Confident | 54 Ų | 54 | 77.6 Ų | 77.6 | 38% | 0.378 | 44% | 0.436 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.3 | 120.5 | 179.4 | -68.7 | 0 | 0 | 0 | 0 | 111.7 | D432 S453 | D432-S451 VanDerWaalsContact CG-OG 3.31Å; D432-S451 WeakPolarHBondContact OD1-CA 3.47Å; D432-S451 WeakPolarHBondContact OD1-CB 3.34Å; D432-S451 PolarHBondContact OD1-OG 3.47Å; S451-S453 PolarHBondContact O-N 3.28Å |
| 452 | L | 72.1 | Confident | 78.7 | Confident | 8 Ų | 8 | 75.1 Ų | 75.1 | 4% | 0.042 | 43% | 0.432 | C | S | . | . | G | 310 helix | trans | -73.1 | -10.1 | 171.9 | -61.5 | 178.2 | 0 | 0 | 0 | 112.4 | M377 V425 I428 V431 F450 G454 | M377-L452 HydrophobicContact SD-CD2 3.56Å; M377-L452 VanDerWaalsContact SD-CD2 3.56Å; V425-L452 HydrophobicContact CG1-CD1 3.95Å; I428-L452 HydrophobicContact CG2-CB 4.48Å; V431-L452 WeakPolarHBondContact O-CB 3.29Å; V431-L452 WeakPolarHBondContact O-CD1 3.43Å; V431-L452 WeakPolarHBondContact O-CG 3.39Å; F450-L452 HydrophobicContact CD1-CD2 4.09Å; F450-L452 HydrophobicContact CE1-CD2 3.94Å; L452-G454 VanDerWaalsContact C-N 3.3Å; L452-G454 PolarHBondContact O-N 3.03Å |
| 453 | S | 60.8 | Low | 78.6 | Confident | 85 Ų | 85 | 78.4 Ų | 78.4 | 59% | 0.594 | 45% | 0.453 | S | S | * | . | G | 310 helix | trans | -82.1 | 13.8 | -170.6 | 56.3 | 0 | 0 | 0 | 0 | 116.2 | S451 | S451-S453 PolarHBondContact O-N 3.28Š|
| 454 | G | 53.6 | Low | 78.9 | Confident | 62 Ų | 62 | 78 Ų | 78 | 64% | 0.639 | 42% | 0.419 | S | S | * | . | G | 310 helix | trans | -128.1 | 8.6 | -175.7 | 0 | 0 | 0 | 0 | 0 | 116.1 | L452 | L452-G454 VanDerWaalsContact C-N 3.3Å; L452-G454 PolarHBondContact O-N 3.03Å |
| 455 | W | 49.1 | Very low | 78.9 | Confident | 243 Ų | 243 | 75.7 Ų | 75.7 | 92% | 0.92 | 41% | 0.413 | S | S | * | . | trans | -135.6 | 0 | -170.8 | -70.5 | 90.8 | 0 | 0 | 0 | 113.1 | M377 | M377-W455 HydrophobicContact CE-CB 3.95Å; M377-W455 HydrophobicContact CE-CG 4.41Å |
Retrieved 455 of 455 residues in 92.7 ms
(Link to these results)