| 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 | 50.9 | Low | 67.4 | Low | 221 Ų | 221 | 113 Ų | 113 | 100% | 1.089 | 62% | 0.624 | S | S | * | * | 0 | 10.2 | 0 | -75.6 | 159.3 | 73.7 | 0 | 0 | 114.8 | |||||
| 2 | S | 54.5 | Low | 68.4 | Low | 92 Ų | 92 | 109.1 Ų | 109.1 | 64% | 0.643 | 61% | 0.606 | S | S | * | * | trans | -95.2 | -23.2 | 176.2 | 70.1 | 0 | 0 | 0 | 0 | 114.5 | S4 K5 T6 | S2-S4 PolarHBondContact O-N 3.14Å; S2-K5 PolarHBondContact O-N 2.8Å; S2-T6 PolarHBondContact O-N 3.35Å | ||
| 3 | S | 52.1 | Low | 69.7 | Low | 92 Ų | 92 | 109.1 Ų | 109.1 | 64% | 0.643 | 60% | 0.603 | S | S | * | * | H | α-helix | trans | -70.7 | -28.4 | -175.6 | -166.3 | 0 | 0 | 0 | 0 | 114.4 | T6 S7 | S3-T6 PolarHBondContact O-OG1 3.31Å; S3-S7 PolarHBondContact O-N 3.45Å |
| 4 | S | 58.6 | Low | 70.7 | Confident | 85 Ų | 85 | 108.4 Ų | 108.4 | 59% | 0.594 | 60% | 0.597 | S | S | * | * | H | α-helix | trans | -71.8 | -32.5 | 176.9 | 55.9 | 0 | 0 | 0 | 0 | 112.6 | S2 W8 | S2-S4 PolarHBondContact O-N 3.14Å; S4-W8 PolarHBondContact O-N 2.96Å |
| 5 | K | 63.7 | Low | 71.4 | Confident | 149 Ų | 149 | 108.3 Ų | 108.3 | 65% | 0.648 | 59% | 0.594 | S | S | * | * | H | α-helix | trans | -73.3 | -38.1 | -180 | -62.2 | -175.3 | -179.4 | -177 | 0 | 111.6 | S2 L9 | S2-K5 PolarHBondContact O-N 2.8Å; K5-L9 VanDerWaalsContact O-CG 3.29Å; K5-L9 WeakPolarHBondContact O-CG 3.37Å; K5-L9 PolarHBondContact O-N 3.02Å; K5-L9 VanDerWaalsContact O-N 3.16Å |
| 6 | T | 72.6 | Confident | 72 | Confident | 76 Ų | 76 | 106 Ų | 106 | 47% | 0.466 | 59% | 0.588 | S | S | . | * | H | α-helix | trans | -69.9 | -37.1 | 177.1 | 52.7 | 0 | 0 | 0 | 0 | 112.1 | S2 S3 L9 L10 | S2-T6 PolarHBondContact O-N 3.35Å; S3-T6 PolarHBondContact O-OG1 3.31Å; T6-L9 PolarHBondContact O-N 3.19Å; T6-L10 WeakPolarHBondContact O-CB 3.4Å; T6-L10 PolarHBondContact O-N 3.23Å |
| 7 | S | 70.9 | Confident | 72.6 | Confident | 83 Ų | 83 | 104.9 Ų | 104.9 | 58% | 0.58 | 58% | 0.58 | S | S | * | * | H | α-helix | trans | -64 | -40.8 | 175.3 | -172 | 0 | 0 | 0 | 0 | 112.4 | S3 L10 G11 | S3-S7 PolarHBondContact O-N 3.45Å; S7-L10 PolarHBondContact O-N 3.27Å; S7-G11 PolarHBondContact O-N 3.26Å |
| 8 | W | 73 | Confident | 72.6 | Confident | 195 Ų | 195 | 105.2 Ų | 105.2 | 74% | 0.739 | 58% | 0.58 | S | S | * | * | H | α-helix | trans | -66.5 | -41.7 | 176.7 | -162.7 | 55.2 | 0 | 0 | 0 | 112.2 | S4 G11 T12 | S4-W8 PolarHBondContact O-N 2.96Å; W8-G11 PolarHBondContact O-N 3.23Å; W8-T12 WeakPolarHBondContact O-CG2 3.47Å; W8-T12 PolarHBondContact O-N 3.44Å; W8-T12 PolarHBondContact O-OG1 3.16Å |
| 9 | L | 79.6 | Confident | 72.5 | Confident | 106 Ų | 106 | 103.9 Ų | 103.9 | 56% | 0.555 | 58% | 0.578 | S | S | * | * | H | α-helix | trans | -64.2 | -43.6 | 176.8 | -70 | 169.9 | 0 | 0 | 0 | 112.2 | K5 T6 G11 T12 L13 | K5-L9 VanDerWaalsContact O-CG 3.29Å; K5-L9 WeakPolarHBondContact O-CG 3.37Å; K5-L9 PolarHBondContact O-N 3.02Å; K5-L9 VanDerWaalsContact O-N 3.16Å; T6-L9 PolarHBondContact O-N 3.19Å; L9-G11 VanDerWaalsContact C-N 3.33Å; L9-G11 PolarHBondContact O-N 3.3Å; L9-T12 WeakPolarHBondContact CA-OG1 3.39Å; L9-T12 PolarHBondContact O-N 2.99Å; L9-T12 PolarHBondContact O-OG1 3.37Å; L9-L13 WeakPolarHBondContact O-CB 3.23Å; L9-L13 PolarHBondContact O-N 3.03Å |
| 10 | L | 84.3 | Confident | 72.5 | Confident | 114 Ų | 114 | 106.3 Ų | 106.3 | 60% | 0.597 | 58% | 0.582 | S | S | * | * | H | α-helix | trans | -61.4 | -40.6 | 174.9 | -104.9 | 133.6 | 0 | 0 | 0 | 112.2 | T6 S7 L13 L14 | T6-L10 WeakPolarHBondContact O-CB 3.4Å; T6-L10 PolarHBondContact O-N 3.23Å; S7-L10 PolarHBondContact O-N 3.27Å; L10-L13 PolarHBondContact O-N 3.2Å; L10-L14 WeakPolarHBondContact O-CB 3.09Å; L10-L14 PolarHBondContact O-N 3.18Å |
| 11 | G | 81.1 | Confident | 72.4 | Confident | 30 Ų | 30 | 104.6 Ų | 104.6 | 31% | 0.309 | 58% | 0.575 | S | S | . | * | H | α-helix | trans | -60.7 | -47.1 | 174.2 | 0 | 0 | 0 | 0 | 0 | 112.3 | S7 W8 L9 L13 L14 I15 | S7-G11 PolarHBondContact O-N 3.26Å; W8-G11 PolarHBondContact O-N 3.23Å; L9-G11 VanDerWaalsContact C-N 3.33Å; L9-G11 PolarHBondContact O-N 3.3Å; G11-L13 VanDerWaalsContact C-N 3.32Å; G11-L13 PolarHBondContact O-N 3.14Å; G11-L14 PolarHBondContact O-N 2.88Å; G11-I15 WeakPolarHBondContact O-CD1 3.23Å; G11-I15 VanDerWaalsContact O-CG1 3.22Å; G11-I15 WeakPolarHBondContact O-CG1 3.37Å; G11-I15 PolarHBondContact O-N 3.25Å |
| 12 | T | 80 | Confident | 72.9 | Confident | 66 Ų | 66 | 98.2 Ų | 98.2 | 41% | 0.405 | 55% | 0.552 | S | S | . | * | H | α-helix | trans | -64.3 | -36 | 177.9 | 58.6 | 0 | 0 | 0 | 0 | 112.8 | W8 L9 I15 S16 | W8-T12 WeakPolarHBondContact O-CG2 3.47Å; W8-T12 PolarHBondContact O-N 3.44Å; W8-T12 PolarHBondContact O-OG1 3.16Å; L9-T12 WeakPolarHBondContact CA-OG1 3.39Å; L9-T12 PolarHBondContact O-N 2.99Å; L9-T12 PolarHBondContact O-OG1 3.37Å; T12-I15 PolarHBondContact O-N 3.24Å; T12-S16 WeakPolarHBondContact O-CB 3.36Å; T12-S16 PolarHBondContact O-N 3.4Å |
| 13 | L | 85.3 | Confident | 73.2 | Confident | 109 Ų | 109 | 104.4 Ų | 104.4 | 57% | 0.571 | 56% | 0.561 | S | S | * | * | H | α-helix | trans | -71.6 | -40.8 | -179.7 | -156 | 153 | 0 | 0 | 0 | 111 | L9 L10 G11 S16 I17 | L9-L13 WeakPolarHBondContact O-CB 3.23Å; L9-L13 PolarHBondContact O-N 3.03Å; L10-L13 PolarHBondContact O-N 3.2Å; G11-L13 VanDerWaalsContact C-N 3.32Å; G11-L13 PolarHBondContact O-N 3.14Å; L13-S16 PolarHBondContact O-N 2.78Å; L13-I17 HydrophobicContact CD2-CD1 3.49Å; L13-I17 VanDerWaalsContact CD2-CD1 3.49Å; L13-I17 HydrophobicContact CD2-CG1 4.21Å; L13-I17 VanDerWaalsContact O-CG1 3.3Å; L13-I17 WeakPolarHBondContact O-CG1 3.5Å; L13-I17 PolarHBondContact O-N 2.89Å |
| 14 | L | 83.6 | Confident | 73.8 | Confident | 99 Ų | 99 | 108 Ų | 108 | 52% | 0.518 | 57% | 0.565 | S | S | . | * | H | α-helix | trans | -63.4 | -42.3 | 172.8 | -84.6 | 160.6 | 0 | 0 | 0 | 112.5 | L10 G11 I17 L18 | L10-L14 WeakPolarHBondContact O-CB 3.09Å; L10-L14 PolarHBondContact O-N 3.18Å; G11-L14 PolarHBondContact O-N 2.88Å; L14-I17 PolarHBondContact O-N 2.67Å; L14-L18 WeakPolarHBondContact O-CB 3.27Å; L14-L18 WeakPolarHBondContact O-CG 3.49Å; L14-L18 PolarHBondContact O-N 3.02Å |
| 15 | I | 81.4 | Confident | 73.9 | Confident | 107 Ų | 107 | 109.6 Ų | 109.6 | 55% | 0.549 | 56% | 0.563 | S | S | . | * | H | α-helix | trans | -64.1 | -42.7 | 176.4 | -68.3 | 162.1 | 0 | 0 | 0 | 110.5 | G11 T12 I17 L18 C19 | G11-I15 WeakPolarHBondContact O-CD1 3.23Å; G11-I15 VanDerWaalsContact O-CG1 3.22Å; G11-I15 WeakPolarHBondContact O-CG1 3.37Å; G11-I15 PolarHBondContact O-N 3.25Å; T12-I15 PolarHBondContact O-N 3.24Å; I15-I17 PolarHBondContact O-N 3.06Å; I15-L18 PolarHBondContact O-N 3.1Å; I15-C19 WeakPolarHBondContact O-CB 3.22Å; I15-C19 PolarHBondContact O-N 2.99Å; I15-C19 PolarHBondContact O-SG 2.82Å; I15-C19 VanDerWaalsContact O-SG 3.33Å |
| 16 | S | 80.9 | Confident | 73.6 | Confident | 72 Ų | 72 | 107.3 Ų | 107.3 | 50% | 0.503 | 57% | 0.566 | S | S | . | * | H | α-helix | trans | -62.1 | -42.5 | 175.9 | -175.1 | 0 | 0 | 0 | 0 | 112.2 | T12 L13 C19 F20 | T12-S16 WeakPolarHBondContact O-CB 3.36Å; T12-S16 PolarHBondContact O-N 3.4Å; L13-S16 PolarHBondContact O-N 2.78Å; S16-C19 PolarHBondContact O-N 3.04Å; S16-F20 WeakPolarHBondContact O-CB 3.36Å; S16-F20 PolarHBondContact O-N 3.02Å |
| 17 | I | 80.9 | Confident | 72.8 | Confident | 87 Ų | 87 | 111.1 Ų | 111.1 | 45% | 0.446 | 58% | 0.582 | S | S | . | * | H | α-helix | trans | -64 | -44.5 | 176.2 | -70.8 | 171 | 0 | 0 | 0 | 110.3 | L13 L14 I15 C19 F20 V21 | L13-I17 HydrophobicContact CD2-CD1 3.49Å; L13-I17 VanDerWaalsContact CD2-CD1 3.49Å; L13-I17 HydrophobicContact CD2-CG1 4.21Å; L13-I17 VanDerWaalsContact O-CG1 3.3Å; L13-I17 WeakPolarHBondContact O-CG1 3.5Å; L13-I17 PolarHBondContact O-N 2.89Å; L14-I17 PolarHBondContact O-N 2.67Å; I15-I17 PolarHBondContact O-N 3.06Å; I17-C19 VanDerWaalsContact C-N 3.34Å; I17-C19 PolarHBondContact O-N 3.14Å; I17-F20 PolarHBondContact O-N 2.84Å; I17-V21 HydrophobicContact CG2-CG2 4.21Å; I17-V21 WeakPolarHBondContact O-CB 3.37Å; I17-V21 VanDerWaalsContact O-CG2 3.28Å; I17-V21 WeakPolarHBondContact O-CG2 3.38Å; I17-V21 PolarHBondContact O-N 3.49Å |
| 18 | L | 73.7 | Confident | 72.2 | Confident | 111 Ų | 111 | 111.8 Ų | 111.8 | 58% | 0.581 | 58% | 0.578 | S | S | * | * | H | α-helix | trans | -60.8 | -41 | 176.1 | -83.7 | 159.4 | 0 | 0 | 0 | 112.2 | L14 I15 S22 | L14-L18 WeakPolarHBondContact O-CB 3.27Å; L14-L18 WeakPolarHBondContact O-CG 3.49Å; L14-L18 PolarHBondContact O-N 3.02Å; I15-L18 PolarHBondContact O-N 3.1Å; L18-S22 VanDerWaalsContact O-CB 3.25Å; L18-S22 WeakPolarHBondContact O-CB 3.2Å; L18-S22 PolarHBondContact O-N 3.26Å; L18-S22 PolarHBondContact O-OG 3.28Å |
| 19 | C | 70.3 | Confident | 72.1 | Confident | 80 Ų | 80 | 107.7 Ų | 107.7 | 54% | 0.541 | 57% | 0.57 | S | S | . | * | H | α-helix | trans | -63.2 | -41.8 | 173.9 | -73.5 | 0 | 0 | 0 | 0 | 112.1 | I15 S16 I17 S22 W23 | I15-C19 WeakPolarHBondContact O-CB 3.22Å; I15-C19 PolarHBondContact O-N 2.99Å; I15-C19 PolarHBondContact O-SG 2.82Å; I15-C19 VanDerWaalsContact O-SG 3.33Å; S16-C19 PolarHBondContact O-N 3.04Å; I17-C19 VanDerWaalsContact C-N 3.34Å; I17-C19 PolarHBondContact O-N 3.14Å; C19-S22 PolarHBondContact O-N 3.33Å; C19-W23 WeakPolarHBondContact O-CB 3.45Å; C19-W23 PolarHBondContact O-N 3.31Å |
| 20 | F | 71.9 | Confident | 71.8 | Confident | 151 Ų | 151 | 107.6 Ų | 107.6 | 66% | 0.662 | 57% | 0.574 | S | S | * | * | H | α-helix | trans | -70.8 | -38.5 | -179.7 | -143.3 | -89.5 | 0 | 0 | 0 | 112.4 | S16 I17 W23 K24 | S16-F20 WeakPolarHBondContact O-CB 3.36Å; S16-F20 PolarHBondContact O-N 3.02Å; I17-F20 PolarHBondContact O-N 2.84Å; F20-W23 PolarHBondContact O-N 3.29Å; F20-K24 WeakPolarHBondContact O-CB 3.4Å; F20-K24 PolarHBondContact O-N 3.17Å |
| 21 | V | 70.2 | Confident | 71.3 | Confident | 72 Ų | 72 | 111.6 Ų | 111.6 | 44% | 0.436 | 58% | 0.581 | S | S | . | * | H | α-helix | trans | -66.4 | -39.8 | 174.2 | 172.4 | 0 | 0 | 0 | 0 | 110.7 | I17 W23 K24 H25 | I17-V21 HydrophobicContact CG2-CG2 4.21Å; I17-V21 WeakPolarHBondContact O-CB 3.37Å; I17-V21 VanDerWaalsContact O-CG2 3.28Å; I17-V21 WeakPolarHBondContact O-CG2 3.38Å; I17-V21 PolarHBondContact O-N 3.49Å; V21-W23 VanDerWaalsContact C-N 3.35Å; V21-K24 PolarHBondContact O-N 2.81Å; V21-H25 PolarHBondContact O-N 2.78Å; V21-H25 PolarHBondContact O-ND1 2.94Å; V21-H25 VanDerWaalsContact O-ND1 3.07Å |
| 22 | S | 62.6 | Low | 71.1 | Confident | 86 Ų | 86 | 111.6 Ų | 111.6 | 60% | 0.601 | 58% | 0.581 | S | S | * | * | H | α-helix | trans | -66.7 | -34.4 | 175.2 | -57.9 | 0 | 0 | 0 | 0 | 112.5 | L18 C19 | L18-S22 VanDerWaalsContact O-CB 3.25Å; L18-S22 WeakPolarHBondContact O-CB 3.2Å; L18-S22 PolarHBondContact O-N 3.26Å; L18-S22 PolarHBondContact O-OG 3.28Å; C19-S22 PolarHBondContact O-N 3.33Å |
| 23 | W | 59.6 | Low | 71 | Confident | 222 Ų | 222 | 110.2 Ų | 110.2 | 84% | 0.841 | 58% | 0.576 | S | S | * | * | H | α-helix | trans | -68.5 | -39.7 | 171.9 | -171.5 | -71.4 | 0 | 0 | 0 | 111.8 | C19 F20 V21 | C19-W23 WeakPolarHBondContact O-CB 3.45Å; C19-W23 PolarHBondContact O-N 3.31Å; F20-W23 PolarHBondContact O-N 3.29Å; V21-W23 VanDerWaalsContact C-N 3.35Å |
| 24 | K | 65.4 | Low | 70.8 | Confident | 168 Ų | 168 | 112.5 Ų | 112.5 | 73% | 0.73 | 58% | 0.582 | S | S | * | * | H | α-helix | trans | -77.8 | -32.3 | -175.9 | -160.2 | -177.3 | 177.1 | 170.1 | 0 | 113.4 | F20 V21 S26 | F20-K24 WeakPolarHBondContact O-CB 3.4Å; F20-K24 PolarHBondContact O-N 3.17Å; V21-K24 PolarHBondContact O-N 2.81Å; K24-S26 PolarHBondContact O-N 3.4Å |
| 25 | H | 60.4 | Low | 70.6 | Confident | 119 Ų | 119 | 112.8 Ų | 112.8 | 55% | 0.551 | 58% | 0.584 | S | S | * | * | S | Bend | trans | -99.6 | 60.9 | 179.4 | -66.1 | 72.6 | 0 | 0 | 0 | 110.6 | V21 I27 | V21-H25 PolarHBondContact O-N 2.78Å; V21-H25 PolarHBondContact O-ND1 2.94Å; V21-H25 VanDerWaalsContact O-ND1 3.07Å; H25-I27 PolarHBondContact O-N 2.99Å |
| 26 | S | 57.6 | Low | 70.7 | Confident | 101 Ų | 101 | 113.2 Ų | 113.2 | 71% | 0.706 | 59% | 0.586 | S | S | * | * | trans | -57.4 | 76.5 | -178.1 | -167.3 | 0 | 0 | 0 | 0 | 112.9 | K24 | K24-S26 PolarHBondContact O-N 3.4Š| ||
| 27 | I | 56.8 | Low | 70.9 | Confident | 155 Ų | 155 | 114 Ų | 114 | 80% | 0.795 | 59% | 0.588 | S | S | * | * | trans | -97 | -7.9 | 170.5 | -66.7 | 167.4 | 0 | 0 | 0 | 109.3 | H25 | H25-I27 PolarHBondContact O-N 2.99Š| ||
| 28 | I | 58.2 | Low | 71.3 | Confident | 98 Ų | 98 | 111.4 Ų | 111.4 | 50% | 0.503 | 58% | 0.582 | S | S | . | * | S | Bend | trans | -110.7 | 114.1 | 178.1 | -95 | 157.4 | 0 | 0 | 0 | 108.6 | A33 | I28-A33 HydrophobicContact CG2-CB 3.77Š|
| 29 | D | 70.6 | Confident | 71.9 | Confident | 108 Ų | 108 | 114 Ų | 114 | 58% | 0.578 | 58% | 0.584 | S | S | * | * | trans | -46 | 138.9 | 168.9 | 179.6 | 25 | 0 | 0 | 0 | 109.7 | R31 G32 A33 | D29-R31 PolarHBondContact O-N 3.36Å; D29-G32 CarbonylContact O-C 3.58Å; D29-G32 VanDerWaalsContact O-CA 3.25Å; D29-G32 WeakPolarHBondContact O-CA 3.39Å; D29-G32 PolarHBondContact O-N 2.91Å; D29-A33 PolarHBondContact O-N 2.91Å | ||
| 30 | V | 73.8 | Confident | 72.8 | Confident | 104 Ų | 104 | 112 Ų | 112 | 63% | 0.63 | 58% | 0.577 | S | S | * | * | H | α-helix | trans | -54.9 | -35.2 | -173.2 | -126.5 | 0 | 0 | 0 | 0 | 110.8 | A33 F34 | V30-A33 WeakPolarHBondContact O-CB 3.32Å; V30-A33 PolarHBondContact O-N 2.82Å; V30-F34 VanDerWaalsContact O-CD2 3.23Å; V30-F34 WeakPolarHBondContact O-CD2 3.31Å; V30-F34 PolarHBondContact O-N 3.49Å; V30-F34 VanDerWaalsContact O-N 3.08Å |
| 31 | R | 72.8 | Confident | 73.7 | Confident | 198 Ų | 198 | 110.2 Ų | 110.2 | 75% | 0.747 | 57% | 0.574 | S | S | * | * | H | α-helix | trans | -64.2 | -39 | 173.8 | -67.3 | -179.3 | 174.7 | -168.9 | -0.8 | 112.5 | D29 F34 L35 | D29-R31 PolarHBondContact O-N 3.36Å; R31-F34 PolarHBondContact O-N 2.88Å; R31-L35 WeakPolarHBondContact O-CB 3.48Å; R31-L35 WeakPolarHBondContact O-CD1 3.46Å; R31-L35 WeakPolarHBondContact O-CG 3.26Å; R31-L35 PolarHBondContact O-N 3.08Å |
| 32 | G | 77.9 | Confident | 74.6 | Confident | 30 Ų | 30 | 112.5 Ų | 112.5 | 31% | 0.309 | 58% | 0.583 | S | S | . | * | H | α-helix | trans | -64.6 | -38.3 | 173.7 | 0 | 0 | 0 | 0 | 0 | 112.8 | D29 L35 L36 | D29-G32 CarbonylContact O-C 3.58Å; D29-G32 VanDerWaalsContact O-CA 3.25Å; D29-G32 WeakPolarHBondContact O-CA 3.39Å; D29-G32 PolarHBondContact O-N 2.91Å; G32-L35 PolarHBondContact O-N 2.62Å; G32-L36 WeakPolarHBondContact O-CB 3.45Å; G32-L36 PolarHBondContact O-N 3.27Å |
| 33 | A | 77.9 | Confident | 75.9 | Confident | 37 Ų | 37 | 114.2 Ų | 114.2 | 31% | 0.306 | 59% | 0.585 | S | S | . | * | H | α-helix | trans | -63.8 | -46.2 | 174.2 | 0 | 0 | 0 | 0 | 0 | 111.4 | I28 D29 V30 L35 L36 V37 | I28-A33 HydrophobicContact CG2-CB 3.77Å; D29-A33 PolarHBondContact O-N 2.91Å; V30-A33 WeakPolarHBondContact O-CB 3.32Å; V30-A33 PolarHBondContact O-N 2.82Å; A33-L35 PolarHBondContact O-N 3.14Å; A33-L36 PolarHBondContact O-N 2.76Å; A33-V37 VanDerWaalsContact O-CG2 3.32Å; A33-V37 WeakPolarHBondContact O-CG2 3.45Å; A33-V37 PolarHBondContact O-N 3.09Å |
| 34 | F | 80.3 | Confident | 77.5 | Confident | 158 Ų | 158 | 108.6 Ų | 108.6 | 69% | 0.693 | 57% | 0.571 | S | S | * | * | H | α-helix | trans | -62.1 | -40.5 | 175.8 | -84.7 | -74.8 | 0 | 0 | 0 | 112.5 | V30 R31 V37 G38 | V30-F34 VanDerWaalsContact O-CD2 3.23Å; V30-F34 WeakPolarHBondContact O-CD2 3.31Å; V30-F34 PolarHBondContact O-N 3.49Å; V30-F34 VanDerWaalsContact O-N 3.08Å; R31-F34 PolarHBondContact O-N 2.88Å; F34-V37 PolarHBondContact O-N 3.13Å; F34-G38 PolarHBondContact O-N 2.93Å |
| 35 | L | 80.3 | Confident | 78.7 | Confident | 104 Ų | 104 | 102.3 Ų | 102.3 | 55% | 0.545 | 55% | 0.553 | S | S | . | * | H | α-helix | trans | -65.5 | -37.8 | 175.2 | -83.6 | 156.5 | 0 | 0 | 0 | 112.7 | R31 G32 A33 R39 | R31-L35 WeakPolarHBondContact O-CB 3.48Å; R31-L35 WeakPolarHBondContact O-CD1 3.46Å; R31-L35 WeakPolarHBondContact O-CG 3.26Å; R31-L35 PolarHBondContact O-N 3.08Å; G32-L35 PolarHBondContact O-N 2.62Å; A33-L35 PolarHBondContact O-N 3.14Å; L35-R39 WeakPolarHBondContact O-CB 3.4Å; L35-R39 WeakPolarHBondContact O-CG 3.35Å; L35-R39 PolarHBondContact O-N 2.92Å |
| 36 | L | 82.9 | Confident | 80.3 | Confident | 116 Ų | 116 | 101.5 Ų | 101.5 | 61% | 0.607 | 55% | 0.553 | S | S | * | * | H | α-helix | trans | -67.1 | -44.8 | 176.9 | -164.5 | 86.4 | 0 | 0 | 0 | 111.2 | G32 A33 R39 G40 | G32-L36 WeakPolarHBondContact O-CB 3.45Å; G32-L36 PolarHBondContact O-N 3.27Å; A33-L36 PolarHBondContact O-N 2.76Å; L36-R39 PolarHBondContact O-N 2.95Å; L36-G40 PolarHBondContact O-N 3.24Å |
| 37 | V | 85.1 | Confident | 81.6 | Confident | 90 Ų | 90 | 99.4 Ų | 99.4 | 55% | 0.545 | 54% | 0.538 | S | S | . | . | H | α-helix | trans | -62.9 | -43.5 | 175.9 | 172.8 | 0 | 0 | 0 | 0 | 110.7 | A33 F34 R39 G40 L41 | A33-V37 VanDerWaalsContact O-CG2 3.32Å; A33-V37 WeakPolarHBondContact O-CG2 3.45Å; A33-V37 PolarHBondContact O-N 3.09Å; F34-V37 PolarHBondContact O-N 3.13Å; V37-R39 PolarHBondContact O-N 3.17Å; V37-G40 PolarHBondContact O-N 3.35Å; V37-L41 HydrophobicContact CG1-CD1 4.21Å; V37-L41 WeakPolarHBondContact O-CG 3.22Å; V37-L41 PolarHBondContact O-N 3.04Å |
| 38 | G | 88.8 | Confident | 83.3 | Confident | 31 Ų | 31 | 96.1 Ų | 96.1 | 32% | 0.32 | 53% | 0.525 | S | S | . | . | H | α-helix | trans | -60.2 | -44.3 | 175.6 | 0 | 0 | 0 | 0 | 0 | 112.9 | F34 L41 L42 | F34-G38 PolarHBondContact O-N 2.93Å; G38-L41 PolarHBondContact O-N 3.28Å; G38-L42 WeakPolarHBondContact O-CG 3.35Å; G38-L42 PolarHBondContact O-N 3.1Å |
| 39 | R | 87.3 | Confident | 84.8 | Confident | 166 Ų | 166 | 97 Ų | 97 | 63% | 0.626 | 53% | 0.53 | S | S | * | . | H | α-helix | trans | -64.6 | -38.9 | 174.5 | -76.2 | 178.2 | 173.3 | 147.5 | -0.9 | 112.3 | L35 L36 V37 L42 L43 | L35-R39 WeakPolarHBondContact O-CB 3.4Å; L35-R39 WeakPolarHBondContact O-CG 3.35Å; L35-R39 PolarHBondContact O-N 2.92Å; L36-R39 PolarHBondContact O-N 2.95Å; V37-R39 PolarHBondContact O-N 3.17Å; R39-L42 PolarHBondContact O-N 3.31Å; R39-L43 WeakPolarHBondContact O-CB 3.15Å; R39-L43 VanDerWaalsContact O-CG 3.3Å; R39-L43 WeakPolarHBondContact O-CG 3.26Å; R39-L43 PolarHBondContact O-N 2.9Å |
| 40 | G | 89 | Confident | 85.7 | Confident | 37 Ų | 37 | 96.5 Ų | 96.5 | 38% | 0.381 | 53% | 0.526 | S | S | . | . | H | α-helix | trans | -60.6 | -47 | 174.6 | 0 | 0 | 0 | 0 | 0 | 112.4 | L36 V37 L42 L43 L44 | L36-G40 PolarHBondContact O-N 3.24Å; V37-G40 PolarHBondContact O-N 3.35Å; G40-L42 PolarHBondContact O-N 3.24Å; G40-L43 PolarHBondContact O-N 2.79Å; G40-L44 WeakPolarHBondContact O-CB 3.36Å; G40-L44 PolarHBondContact O-N 3.02Å |
| 41 | L | 89.9 | Confident | 86.4 | Confident | 115 Ų | 115 | 96 Ų | 96 | 60% | 0.602 | 52% | 0.522 | S | S | * | . | H | α-helix | trans | -64.8 | -38.7 | 177.4 | -71.2 | 173.5 | 0 | 0 | 0 | 112.4 | V37 G38 L44 G45 | V37-L41 HydrophobicContact CG1-CD1 4.21Å; V37-L41 WeakPolarHBondContact O-CG 3.22Å; V37-L41 PolarHBondContact O-N 3.04Å; G38-L41 PolarHBondContact O-N 3.28Å; L41-L44 PolarHBondContact O-N 2.81Å; L41-G45 PolarHBondContact O-N 3.14Å |
| 42 | L | 90.1 | Very high | 87 | Confident | 120 Ų | 120 | 90.1 Ų | 90.1 | 63% | 0.628 | 51% | 0.512 | S | S | * | . | H | α-helix | trans | -63.8 | -44.3 | 174.7 | -76.1 | 171.2 | 0 | 0 | 0 | 112 | G38 R39 G40 L44 G45 L46 | G38-L42 WeakPolarHBondContact O-CG 3.35Å; G38-L42 PolarHBondContact O-N 3.1Å; R39-L42 PolarHBondContact O-N 3.31Å; G40-L42 PolarHBondContact O-N 3.24Å; L42-L44 VanDerWaalsContact C-N 3.33Å; L42-L44 PolarHBondContact O-N 2.99Å; L42-G45 PolarHBondContact O-N 2.87Å; L42-L46 WeakPolarHBondContact O-CB 3.44Å; L42-L46 PolarHBondContact O-N 2.78Å |
| 43 | L | 90.1 | Very high | 87.5 | Confident | 121 Ų | 121 | 95.5 Ų | 95.5 | 63% | 0.634 | 52% | 0.524 | S | S | * | . | H | α-helix | trans | -65.6 | -36.1 | 176.6 | -71.9 | 172.3 | 0 | 0 | 0 | 112.1 | R39 G40 S47 | R39-L43 WeakPolarHBondContact O-CB 3.15Å; R39-L43 VanDerWaalsContact O-CG 3.3Å; R39-L43 WeakPolarHBondContact O-CG 3.26Å; R39-L43 PolarHBondContact O-N 2.9Å; G40-L43 PolarHBondContact O-N 2.79Å; L43-S47 VanDerWaalsContact O-CB 3.3Å; L43-S47 WeakPolarHBondContact O-CB 3.5Å; L43-S47 PolarHBondContact O-N 3.34Å; L43-S47 PolarHBondContact O-OG 3.4Å |
| 44 | L | 91.6 | Very high | 87.7 | Confident | 105 Ų | 105 | 97.4 Ų | 97.4 | 55% | 0.55 | 53% | 0.525 | S | S | . | . | H | α-helix | trans | -67.8 | -40.3 | 175 | -171.4 | 65.8 | 0 | 0 | 0 | 111.8 | G40 L41 L42 S47 T48 | G40-L44 WeakPolarHBondContact O-CB 3.36Å; G40-L44 PolarHBondContact O-N 3.02Å; L41-L44 PolarHBondContact O-N 2.81Å; L42-L44 VanDerWaalsContact C-N 3.33Å; L42-L44 PolarHBondContact O-N 2.99Å; L44-S47 WeakPolarHBondContact CA-OG 3.26Å; L44-S47 PolarHBondContact O-OG 3.43Å; L44-T48 WeakPolarHBondContact O-CB 3.36Å; L44-T48 PolarHBondContact O-N 2.64Å; L44-T48 PolarHBondContact O-OG1 3.2Å |
| 45 | G | 92.3 | Very high | 87.6 | Confident | 35 Ų | 35 | 97.1 Ų | 97.1 | 36% | 0.361 | 52% | 0.521 | S | S | . | . | H | α-helix | trans | -63.3 | -48.5 | 173.9 | 0 | 0 | 0 | 0 | 0 | 111.9 | L41 L42 S47 T48 L49 | L41-G45 PolarHBondContact O-N 3.14Å; L42-G45 PolarHBondContact O-N 2.87Å; G45-S47 PolarHBondContact O-N 2.99Å; G45-T48 PolarHBondContact O-N 3.25Å; G45-L49 WeakPolarHBondContact O-CG 3.19Å; G45-L49 PolarHBondContact O-N 2.81Å |
| 46 | L | 92.4 | Very high | 87.5 | Confident | 103 Ų | 103 | 96 Ų | 96 | 54% | 0.539 | 52% | 0.52 | S | S | . | . | H | α-helix | trans | -60.6 | -43.7 | 175.9 | -93.7 | 149.4 | 0 | 0 | 0 | 112.2 | L42 L49 M50 | L42-L46 WeakPolarHBondContact O-CB 3.44Å; L42-L46 PolarHBondContact O-N 2.78Å; L46-L49 PolarHBondContact O-N 2.9Å; L46-M50 WeakPolarHBondContact O-CB 3.38Å; L46-M50 WeakPolarHBondContact O-CG 3.21Å; L46-M50 PolarHBondContact O-N 3.35Å |
| 47 | S | 85.2 | Confident | 86.9 | Confident | 57 Ų | 57 | 98.1 Ų | 98.1 | 40% | 0.399 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -66.6 | -38 | 178.2 | 69.2 | 0 | 0 | 0 | 0 | 111.9 | L43 L44 G45 M50 V51 | L43-S47 VanDerWaalsContact O-CB 3.3Å; L43-S47 WeakPolarHBondContact O-CB 3.5Å; L43-S47 PolarHBondContact O-N 3.34Å; L43-S47 PolarHBondContact O-OG 3.4Å; L44-S47 WeakPolarHBondContact CA-OG 3.26Å; L44-S47 PolarHBondContact O-OG 3.43Å; G45-S47 PolarHBondContact O-N 2.99Å; S47-M50 PolarHBondContact O-N 2.98Å; S47-V51 VanDerWaalsContact O-CG2 3.3Å; S47-V51 WeakPolarHBondContact O-CG2 3.31Å; S47-V51 PolarHBondContact O-N 3.41Å |
| 48 | T | 93.3 | Very high | 86.3 | Confident | 86 Ų | 86 | 97.3 Ų | 97.3 | 53% | 0.528 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -64.5 | -41.6 | 174.7 | -53.9 | 0 | 0 | 0 | 0 | 111.3 | L44 G45 V51 S52 | L44-T48 WeakPolarHBondContact O-CB 3.36Å; L44-T48 PolarHBondContact O-N 2.64Å; L44-T48 PolarHBondContact O-OG1 3.2Å; G45-T48 PolarHBondContact O-N 3.25Å; T48-V51 PolarHBondContact O-N 3.02Å; T48-S52 PolarHBondContact O-N 3.26Å |
| 49 | L | 89.3 | Confident | 85.3 | Confident | 116 Ų | 116 | 103.6 Ų | 103.6 | 61% | 0.607 | 53% | 0.526 | S | S | * | . | H | α-helix | trans | -63.9 | -45.2 | 174.1 | -73.1 | 174.2 | 0 | 0 | 0 | 111.7 | G45 L46 V51 S52 Y53 | G45-L49 WeakPolarHBondContact O-CG 3.19Å; G45-L49 PolarHBondContact O-N 2.81Å; L46-L49 PolarHBondContact O-N 2.9Å; L49-V51 PolarHBondContact O-N 2.79Å; L49-S52 WeakPolarHBondContact CA-OG 3.45Å; L49-S52 PolarHBondContact O-N 2.82Å; L49-S52 VanDerWaalsContact O-N 3.17Å; L49-S52 PolarHBondContact O-OG 2.95Å; L49-Y53 WeakPolarHBondContact O-CB 3.47Å; L49-Y53 PolarHBondContact O-N 2.94Å |
| 50 | M | 90 | Very high | 84.2 | Confident | 98 Ų | 98 | 99.8 Ų | 99.8 | 48% | 0.483 | 53% | 0.525 | S | S | . | . | H | α-helix | trans | -59.4 | -46.7 | 175.3 | -72.3 | -68.4 | -73.9 | 0 | 0 | 110.6 | L46 S47 S52 Y53 F54 | L46-M50 WeakPolarHBondContact O-CB 3.38Å; L46-M50 WeakPolarHBondContact O-CG 3.21Å; L46-M50 PolarHBondContact O-N 3.35Å; S47-M50 PolarHBondContact O-N 2.98Å; M50-S52 PolarHBondContact O-N 3.13Å; M50-Y53 PolarHBondContact O-N 3.36Å; M50-F54 HydrophobicContact CB-CD2 4.36Å; M50-F54 HydrophobicContact CE-CD2 3.71Å; M50-F54 HydrophobicContact CE-CE2 3.16Å; M50-F54 HydrophobicContact CE-CZ 3.97Å; M50-F54 VanDerWaalsContact O-CB 3.25Å; M50-F54 WeakPolarHBondContact O-CB 3.48Å; M50-F54 WeakPolarHBondContact O-CD2 3.36Å; M50-F54 PolarHBondContact O-N 3.11Å; M50-F54 HydrophobicContact SD-CD2 4.03Å; M50-F54 HydrophobicContact SD-CE2 3.57Å; M50-F54 VanDerWaalsContact SD-CE2 3.57Å |
| 51 | V | 89.1 | Confident | 82.9 | Confident | 92 Ų | 92 | 103.6 Ų | 103.6 | 56% | 0.558 | 54% | 0.536 | S | S | * | . | H | α-helix | trans | -60.2 | -46.8 | 174.5 | 173.5 | 0 | 0 | 0 | 0 | 110.2 | S47 T48 L49 Y53 F54 Y55 | S47-V51 VanDerWaalsContact O-CG2 3.3Å; S47-V51 WeakPolarHBondContact O-CG2 3.31Å; S47-V51 PolarHBondContact O-N 3.41Å; T48-V51 PolarHBondContact O-N 3.02Å; L49-V51 PolarHBondContact O-N 2.79Å; V51-Y53 VanDerWaalsContact C-N 3.32Å; V51-Y53 PolarHBondContact O-N 3.27Å; V51-F54 PolarHBondContact O-N 3.35Å; V51-Y55 WeakPolarHBondContact O-CA 3.38Å; V51-Y55 WeakPolarHBondContact O-CB 3.33Å; V51-Y55 PolarHBondContact O-N 2.82Å |
| 52 | S | 84.7 | Confident | 81.5 | Confident | 75 Ų | 75 | 104.8 Ų | 104.8 | 52% | 0.524 | 54% | 0.536 | S | S | . | . | H | α-helix | trans | -62.3 | -35.6 | -179.6 | 73.1 | 0 | 0 | 0 | 0 | 114.2 | T48 L49 M50 P56 | T48-S52 PolarHBondContact O-N 3.26Å; L49-S52 WeakPolarHBondContact CA-OG 3.45Å; L49-S52 PolarHBondContact O-N 2.82Å; L49-S52 VanDerWaalsContact O-N 3.17Å; L49-S52 PolarHBondContact O-OG 2.95Å; M50-S52 PolarHBondContact O-N 3.13Å; S52-P56 WeakPolarHBondContact O-CD 3.14Å |
| 53 | Y | 87.8 | Confident | 79.7 | Confident | 144 Ų | 144 | 102.8 Ų | 102.8 | 57% | 0.565 | 53% | 0.533 | S | S | * | . | H | α-helix | trans | -79 | -41.6 | 178.9 | 179.4 | -104.3 | 0 | 0 | 0 | 112 | L49 M50 V51 | L49-Y53 WeakPolarHBondContact O-CB 3.47Å; L49-Y53 PolarHBondContact O-N 2.94Å; M50-Y53 PolarHBondContact O-N 3.36Å; V51-Y53 VanDerWaalsContact C-N 3.32Å; V51-Y53 PolarHBondContact O-N 3.27Å |
| 54 | F | 82.6 | Confident | 77.9 | Confident | 77 Ų | 77 | 101.6 Ų | 101.6 | 34% | 0.338 | 53% | 0.534 | S | S | . | . | H | α-helix | trans | -84.1 | -24.6 | -178.2 | -75.5 | -85.9 | 0 | 0 | 0 | 112.9 | M50 V51 R57 L58 | M50-F54 HydrophobicContact CB-CD2 4.36Å; M50-F54 HydrophobicContact CE-CD2 3.71Å; M50-F54 HydrophobicContact CE-CE2 3.16Å; M50-F54 HydrophobicContact CE-CZ 3.97Å; M50-F54 VanDerWaalsContact O-CB 3.25Å; M50-F54 WeakPolarHBondContact O-CB 3.48Å; M50-F54 WeakPolarHBondContact O-CD2 3.36Å; M50-F54 PolarHBondContact O-N 3.11Å; M50-F54 HydrophobicContact SD-CD2 4.03Å; M50-F54 HydrophobicContact SD-CE2 3.57Å; M50-F54 VanDerWaalsContact SD-CE2 3.57Å; V51-F54 PolarHBondContact O-N 3.35Å; F54-R57 CarbonylContact O-C 3.5Å; F54-R57 PolarHBondContact O-N 3.27Å; F54-R57 VanDerWaalsContact O-N 3.12Å; F54-L58 HydrophobicContact CB-CD1 3.79Å; F54-L58 HydrophobicContact CB-CG 4.34Å; F54-L58 VanDerWaalsContact O-CB 3.27Å; F54-L58 WeakPolarHBondContact O-CB 3.45Å; F54-L58 VanDerWaalsContact O-CG 3.24Å; F54-L58 WeakPolarHBondContact O-CG 3.47Å; F54-L58 PolarHBondContact O-N 3.03Å |
| 55 | Y | 78.4 | Confident | 75.9 | Confident | 152 Ų | 152 | 103.3 Ų | 103.3 | 60% | 0.596 | 54% | 0.544 | S | S | * | . | H | α-helix | trans | -57.9 | -48.2 | -179.8 | -173.4 | -96.2 | 0 | 0 | 0 | 114.1 | V51 R57 L58 R59 | V51-Y55 WeakPolarHBondContact O-CA 3.38Å; V51-Y55 WeakPolarHBondContact O-CB 3.33Å; V51-Y55 PolarHBondContact O-N 2.82Å; Y55-R57 PolarHBondContact O-N 3.33Å; Y55-L58 PolarHBondContact O-N 2.97Å; Y55-R59 WeakPolarHBondContact O-CB 3.23Å; Y55-R59 PolarHBondContact O-N 2.63Å |
| 56 | P | 77 | Confident | 74 | Confident | 81 Ų | 81 | 107.6 Ų | 107.6 | 53% | 0.526 | 56% | 0.563 | S | S | . | * | H | α-helix | trans | -63.8 | -32.7 | 175.3 | 22.1 | -30.8 | 0 | 0 | 0 | 112.3 | S52 | S52-P56 WeakPolarHBondContact O-CD 3.14Å |
| 57 | R | 72 | Confident | 71.8 | Confident | 159 Ų | 159 | 110.3 Ų | 110.3 | 60% | 0.6 | 57% | 0.567 | S | S | * | * | H | α-helix | trans | -77.7 | -33.5 | 180 | -155.4 | 172.8 | -175.3 | 148 | 0.2 | 113 | F54 Y55 S60 | F54-R57 CarbonylContact O-C 3.5Å; F54-R57 PolarHBondContact O-N 3.27Å; F54-R57 VanDerWaalsContact O-N 3.12Å; Y55-R57 PolarHBondContact O-N 3.33Å; R57-S60 PolarHBondContact O-OG 3.3Å; R57-S60 VanDerWaalsContact O-OG 3.13Å |
| 58 | L | 71.4 | Confident | 70.3 | Confident | 73 Ų | 73 | 110.8 Ų | 110.8 | 38% | 0.382 | 57% | 0.57 | S | S | . | * | H | α-helix | trans | -81.1 | -33.1 | 176.1 | -71.9 | 165.3 | 0 | 0 | 0 | 111.1 | F54 Y55 S60 L61 F62 | F54-L58 HydrophobicContact CB-CD1 3.79Å; F54-L58 HydrophobicContact CB-CG 4.34Å; F54-L58 VanDerWaalsContact O-CB 3.27Å; F54-L58 WeakPolarHBondContact O-CB 3.45Å; F54-L58 VanDerWaalsContact O-CG 3.24Å; F54-L58 WeakPolarHBondContact O-CG 3.47Å; F54-L58 PolarHBondContact O-N 3.03Å; Y55-L58 PolarHBondContact O-N 2.97Å; L58-S60 PolarHBondContact O-N 3.32Å; L58-L61 CarbonylContact O-C 3.59Å; L58-L61 WeakPolarHBondContact O-CA 3.43Å; L58-L61 PolarHBondContact O-N 2.84Å; L58-F62 HydrophobicContact CB-CD2 3.98Å; L58-F62 HydrophobicContact CB-CE2 3.95Å; L58-F62 HydrophobicContact CD2-CE2 3.82Å; L58-F62 HydrophobicContact CG-CE2 4.37Å; L58-F62 WeakPolarHBondContact O-CD2 3.4Å; L58-F62 PolarHBondContact O-N 3Å |
| 59 | R | 68.6 | Low | 68.5 | Low | 163 Ų | 163 | 113 Ų | 113 | 62% | 0.615 | 58% | 0.583 | S | S | * | * | H | α-helix | trans | -56.9 | -38.2 | 173.6 | -176.2 | 178 | 179.4 | -173.9 | 0.7 | 111.3 | Y55 L61 S63 | Y55-R59 WeakPolarHBondContact O-CB 3.23Å; Y55-R59 PolarHBondContact O-N 2.63Å; R59-L61 PolarHBondContact O-N 3.44Å; R59-S63 WeakPolarHBondContact O-CB 3.37Å; R59-S63 PolarHBondContact O-N 3.48Å; R59-S63 PolarHBondContact O-OG 2.95Å |
| 60 | S | 63.4 | Low | 67.1 | Low | 87 Ų | 87 | 111.1 Ų | 111.1 | 61% | 0.608 | 58% | 0.58 | S | S | * | * | H | α-helix | trans | -67.2 | -27.3 | 176.1 | 82 | 0 | 0 | 0 | 0 | 113 | R57 L58 | R57-S60 PolarHBondContact O-OG 3.3Å; R57-S60 VanDerWaalsContact O-OG 3.13Å; L58-S60 PolarHBondContact O-N 3.32Å |
| 61 | L | 62.4 | Low | 65.4 | Low | 116 Ų | 116 | 111 Ų | 111 | 61% | 0.607 | 58% | 0.578 | S | S | * | * | H | α-helix | trans | -87.2 | -30.1 | -179.5 | -65.7 | 174.1 | 0 | 0 | 0 | 113.2 | L58 R59 S64 | L58-L61 CarbonylContact O-C 3.59Å; L58-L61 WeakPolarHBondContact O-CA 3.43Å; L58-L61 PolarHBondContact O-N 2.84Å; R59-L61 PolarHBondContact O-N 3.44Å; L61-S64 PolarHBondContact O-OG 2.85Å |
| 62 | F | 59.9 | Low | 64 | Low | 140 Ų | 140 | 113.3 Ų | 113.3 | 61% | 0.614 | 58% | 0.578 | S | S | * | * | H | α-helix | trans | -94 | -20.4 | 179.1 | -68.3 | -65.5 | 0 | 0 | 0 | 113.9 | L58 S64 N65 | L58-F62 HydrophobicContact CB-CD2 3.98Å; L58-F62 HydrophobicContact CB-CE2 3.95Å; L58-F62 HydrophobicContact CD2-CE2 3.82Å; L58-F62 HydrophobicContact CG-CE2 4.37Å; L58-F62 WeakPolarHBondContact O-CD2 3.4Å; L58-F62 PolarHBondContact O-N 3Å; F62-S64 PolarHBondContact O-N 2.84Å; F62-S64 VanDerWaalsContact O-N 3.15Å; F62-N65 PolarHBondContact O-N 2.97Å |
| 63 | S | 52.7 | Low | 63.2 | Low | 79 Ų | 79 | 113.3 Ų | 113.3 | 55% | 0.552 | 58% | 0.578 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -68.8 | -8.2 | 176.5 | -58.4 | 0 | 0 | 0 | 0 | 113.4 | R59 | R59-S63 WeakPolarHBondContact O-CB 3.37Å; R59-S63 PolarHBondContact O-N 3.48Å; R59-S63 PolarHBondContact O-OG 2.95Å |
| 64 | S | 51.6 | Low | 62.6 | Low | 96 Ų | 96 | 112.9 Ų | 112.9 | 67% | 0.671 | 58% | 0.581 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -85 | -14.7 | 175.7 | 55.6 | 0 | 0 | 0 | 0 | 113.9 | L61 F62 | L61-S64 PolarHBondContact O-OG 2.85Å; F62-S64 PolarHBondContact O-N 2.84Å; F62-S64 VanDerWaalsContact O-N 3.15Å |
| 65 | N | 50.8 | Low | 62.5 | Low | 140 Ų | 140 | 111.9 Ų | 111.9 | 75% | 0.749 | 58% | 0.579 | S | S | * | * | S | Bend | trans | -131.2 | 14.8 | -163.2 | -145.3 | 44.3 | 0 | 0 | 0 | 117.5 | F62 | F62-N65 PolarHBondContact O-N 2.97Š|
| 66 | T | 50.8 | Low | 62.9 | Low | 125 Ų | 125 | 107.4 Ų | 107.4 | 77% | 0.767 | 56% | 0.564 | S | S | * | * | trans | -129.9 | 64.9 | 170.7 | 59 | 0 | 0 | 0 | 0 | 111 | ||||
| 67 | R | 47.9 | Very low | 63.5 | Low | 161 Ų | 161 | 108.1 Ų | 108.1 | 61% | 0.608 | 56% | 0.56 | S | S | * | * | trans | -104.6 | 111 | 155.4 | -104.2 | -178.7 | 169.5 | 91.3 | -1.7 | 106.4 | D75 | R67-D75 IonicContact CZ-OD2 3.38Å; R67-D75 IonicContact NE-OD2 3.55Å; R67-D75 PolarHBondContact NE-OD2 3.01Å; R67-D75 IonicContact NH2-OD2 2.73Å; R67-D75 PolarHBondContact NH2-OD2 3.08Å | ||
| 68 | S | 52.7 | Low | 64.4 | Low | 67 Ų | 67 | 103.3 Ų | 103.3 | 47% | 0.469 | 55% | 0.554 | S | S | . | * | trans | -57.3 | 139.5 | 173.3 | 35.5 | 0 | 0 | 0 | 0 | 110 | S70 E71 | S68-S70 PolarHBondContact O-N 2.85Å; S68-E71 PolarHBondContact O-N 3.47Å | ||
| 69 | T | 54.7 | Low | 65.4 | Low | 132 Ų | 132 | 104.2 Ų | 104.2 | 81% | 0.81 | 56% | 0.555 | S | S | * | * | H | α-helix | trans | -51.9 | -23.6 | -176.3 | -43.4 | 0 | 0 | 0 | 0 | 114.4 | ||
| 70 | S | 60 | Low | 66.6 | Low | 77 Ų | 77 | 101.7 Ų | 101.7 | 54% | 0.538 | 55% | 0.55 | S | S | . | * | H | α-helix | trans | -75.3 | -32.9 | 174.4 | 57.9 | 0 | 0 | 0 | 0 | 114.5 | S68 Y72 S73 | S68-S70 PolarHBondContact O-N 2.85Å; S70-Y72 VanDerWaalsContact C-N 3.28Å; S70-S73 PolarHBondContact O-OG 3.22Å |
| 71 | E | 55.3 | Low | 68 | Low | 94 Ų | 94 | 105 Ų | 105 | 44% | 0.439 | 55% | 0.549 | S | S | . | . | H | α-helix | trans | -70.5 | -29.1 | 174.1 | -97.7 | 179 | 160.8 | 0 | 0 | 111.1 | S68 S73 E74 D75 | S68-E71 PolarHBondContact O-N 3.47Å; E71-S73 PolarHBondContact O-N 3.24Å; E71-E74 PolarHBondContact O-N 3.13Å; E71-D75 WeakPolarHBondContact O-CB 3.43Å; E71-D75 PolarHBondContact O-N 2.89Å |
| 72 | Y | 60.3 | Low | 69.5 | Low | 142 Ų | 142 | 104.4 Ų | 104.4 | 56% | 0.557 | 54% | 0.543 | S | S | * | . | H | α-helix | trans | -66.8 | -36.9 | -179.3 | -159.5 | -89.3 | 0 | 0 | 0 | 112.3 | S70 E76 | S70-Y72 VanDerWaalsContact C-N 3.28Å; Y72-E76 HydrophobicContact CD1-CG 4.22Å; Y72-E76 HydrophobicContact CE1-CG 4.01Å; Y72-E76 WeakPolarHBondContact O-CG 3.45Å; Y72-E76 PolarHBondContact O-N 2.88Å |
| 73 | S | 66.9 | Low | 71.3 | Confident | 74 Ų | 74 | 103.7 Ų | 103.7 | 52% | 0.517 | 54% | 0.54 | S | S | . | . | H | α-helix | trans | -70 | -40.2 | 177.1 | 47.8 | 0 | 0 | 0 | 0 | 112.9 | S70 E71 E76 E77 | S70-S73 PolarHBondContact O-OG 3.22Å; E71-S73 PolarHBondContact O-N 3.24Å; S73-E76 PolarHBondContact O-N 3.45Å; S73-E77 PolarHBondContact O-N 3.2Å; S73-E77 VanDerWaalsContact O-N 3.17Å |
| 74 | E | 74.9 | Confident | 73.3 | Confident | 136 Ų | 136 | 105 Ų | 105 | 64% | 0.636 | 54% | 0.538 | S | S | * | . | H | α-helix | trans | -70.3 | -39.6 | 178.8 | -66.5 | -178.6 | 176.2 | 0 | 0 | 111.6 | E71 E76 E77 A78 | E71-E74 PolarHBondContact O-N 3.13Å; E74-E76 VanDerWaalsContact C-N 3.33Å; E74-E76 PolarHBondContact O-N 2.96Å; E74-E77 PolarHBondContact O-N 3.2Å; E74-A78 WeakPolarHBondContact O-CB 3.15Å; E74-A78 PolarHBondContact O-N 3.2Å |
| 75 | D | 82 | Confident | 75.4 | Confident | 56 Ų | 56 | 102.8 Ų | 102.8 | 30% | 0.299 | 52% | 0.524 | S | S | . | . | H | α-helix | trans | -62.2 | -38.1 | 175.4 | -87 | -10.6 | 0 | 0 | 0 | 111.6 | R67 E71 K79 | R67-D75 IonicContact CZ-OD2 3.38Å; R67-D75 IonicContact NE-OD2 3.55Å; R67-D75 PolarHBondContact NE-OD2 3.01Å; R67-D75 IonicContact NH2-OD2 2.73Å; R67-D75 PolarHBondContact NH2-OD2 3.08Å; E71-D75 WeakPolarHBondContact O-CB 3.43Å; E71-D75 PolarHBondContact O-N 2.89Å; D75-K79 VanDerWaalsContact O-CG 3.23Å; D75-K79 WeakPolarHBondContact O-CG 3.28Å; D75-K79 PolarHBondContact O-N 3.15Å; D75-K79 VanDerWaalsContact O-N 3.1Å |
| 76 | E | 85.1 | Confident | 77.6 | Confident | 58 Ų | 58 | 103 Ų | 103 | 27% | 0.271 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -71.1 | -39.4 | 177.3 | -73.6 | -55.1 | 134.4 | 0 | 0 | 112.6 | Y72 S73 E74 K79 Q80 | Y72-E76 HydrophobicContact CD1-CG 4.22Å; Y72-E76 HydrophobicContact CE1-CG 4.01Å; Y72-E76 WeakPolarHBondContact O-CG 3.45Å; Y72-E76 PolarHBondContact O-N 2.88Å; S73-E76 PolarHBondContact O-N 3.45Å; E74-E76 VanDerWaalsContact C-N 3.33Å; E74-E76 PolarHBondContact O-N 2.96Å; E76-K79 PolarHBondContact O-N 2.8Å; E76-K79 IonicContact OE1-NZ 3.8Å; E76-K79 PolarHBondContact OE1-NZ 3.28Å; E76-Q80 WeakPolarHBondContact O-CG 3.43Å; E76-Q80 PolarHBondContact O-N 2.93Å |
| 77 | E | 90.3 | Very high | 79.8 | Confident | 96 Ų | 96 | 102.3 Ų | 102.3 | 45% | 0.449 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -64.8 | -41.8 | 175.5 | -165.7 | -176.2 | 169.4 | 0 | 0 | 111.4 | S73 E74 K79 Q80 R81 | S73-E77 PolarHBondContact O-N 3.2Å; S73-E77 VanDerWaalsContact O-N 3.17Å; E74-E77 PolarHBondContact O-N 3.2Å; E77-K79 VanDerWaalsContact C-N 3.34Å; E77-K79 PolarHBondContact O-N 2.98Å; E77-Q80 PolarHBondContact O-N 2.9Å; E77-R81 WeakPolarHBondContact O-CG 3.48Å; E77-R81 PolarHBondContact O-N 2.93Å; E77-R81 IonicContact OE1-CZ 3.85Å; E77-R81 IonicContact OE1-NE 3.95Å; E77-R81 PolarHBondContact OE1-NE 3.43Å; E77-R81 IonicContact OE1-NH2 3.36Å; E77-R81 PolarHBondContact OE1-NH2 2.98Å |
| 78 | A | 90 | Very high | 82.2 | Confident | 57 Ų | 57 | 99.7 Ų | 99.7 | 47% | 0.471 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -61.9 | -41 | 175.5 | 0 | 0 | 0 | 0 | 0 | 112.2 | E74 R81 Q82 | E74-A78 WeakPolarHBondContact O-CB 3.15Å; E74-A78 PolarHBondContact O-N 3.2Å; A78-R81 PolarHBondContact O-N 3.04Å; A78-Q82 WeakPolarHBondContact O-CB 3.32Å; A78-Q82 PolarHBondContact O-N 3.11Å |
| 79 | K | 92.4 | Very high | 84.3 | Confident | 93 Ų | 93 | 101.1 Ų | 101.1 | 40% | 0.404 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -63.5 | -40 | 174 | -73.6 | 171.5 | -161.9 | 168.6 | 0 | 112 | D75 E76 E77 Q82 K83 | D75-K79 VanDerWaalsContact O-CG 3.23Å; D75-K79 WeakPolarHBondContact O-CG 3.28Å; D75-K79 PolarHBondContact O-N 3.15Å; D75-K79 VanDerWaalsContact O-N 3.1Å; E76-K79 PolarHBondContact O-N 2.8Å; E76-K79 IonicContact OE1-NZ 3.8Å; E76-K79 PolarHBondContact OE1-NZ 3.28Å; E77-K79 VanDerWaalsContact C-N 3.34Å; E77-K79 PolarHBondContact O-N 2.98Å; K79-Q82 PolarHBondContact O-N 2.82Å; K79-K83 WeakPolarHBondContact O-CG 3.38Å; K79-K83 PolarHBondContact O-N 2.87Å |
| 80 | Q | 94.5 | Very high | 86.3 | Confident | 110 Ų | 110 | 101.7 Ų | 101.7 | 51% | 0.514 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -64.2 | -46.9 | 176.9 | -73.5 | 177.5 | 11.4 | 0 | 0 | 111.4 | E76 E77 Q82 K83 Q84 | E76-Q80 WeakPolarHBondContact O-CG 3.43Å; E76-Q80 PolarHBondContact O-N 2.93Å; E77-Q80 PolarHBondContact O-N 2.9Å; Q80-Q82 VanDerWaalsContact C-N 3.27Å; Q80-Q82 PolarHBondContact O-N 3.43Å; Q80-K83 WeakPolarHBondContact O-CB 3.43Å; Q80-K83 PolarHBondContact O-N 2.92Å; Q80-K83 VanDerWaalsContact O-N 3.09Å; Q80-Q84 WeakPolarHBondContact O-CG 3.4Å; Q80-Q84 PolarHBondContact O-N 3.01Å |
| 81 | R | 93.8 | Very high | 88.1 | Confident | 155 Ų | 155 | 103.4 Ų | 103.4 | 59% | 0.585 | 49% | 0.493 | S | S | * | . | H | α-helix | trans | -58.5 | -39.7 | 174.6 | -68.4 | 177.7 | -173.5 | -176.8 | 2.3 | 111.9 | E77 A78 Q84 A85 | E77-R81 WeakPolarHBondContact O-CG 3.48Å; E77-R81 PolarHBondContact O-N 2.93Å; E77-R81 IonicContact OE1-CZ 3.85Å; E77-R81 IonicContact OE1-NE 3.95Å; E77-R81 PolarHBondContact OE1-NE 3.43Å; E77-R81 IonicContact OE1-NH2 3.36Å; E77-R81 PolarHBondContact OE1-NH2 2.98Å; A78-R81 PolarHBondContact O-N 3.04Å; R81-Q84 PolarHBondContact O-N 2.77Å; R81-A85 WeakPolarHBondContact O-CB 3.45Å; R81-A85 PolarHBondContact O-N 2.83Å |
| 82 | Q | 93.6 | Very high | 90.1 | Very high | 105 Ų | 105 | 104.2 Ų | 104.2 | 49% | 0.491 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -66 | -38.9 | 175.9 | -169.8 | -178.4 | 39.4 | 0 | 0 | 112.5 | A78 K79 Q80 R86 | A78-Q82 WeakPolarHBondContact O-CB 3.32Å; A78-Q82 PolarHBondContact O-N 3.11Å; K79-Q82 PolarHBondContact O-N 2.82Å; Q80-Q82 VanDerWaalsContact C-N 3.27Å; Q80-Q82 PolarHBondContact O-N 3.43Å; Q82-R86 VanDerWaalsContact NE2-NH2 3.18Å; Q82-R86 WeakPolarHBondContact O-CG 3.43Å; Q82-R86 PolarHBondContact O-N 2.89Å |
| 83 | K | 96 | Very high | 91.9 | Very high | 124 Ų | 124 | 103.3 Ų | 103.3 | 54% | 0.539 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -65 | -47.5 | 175.6 | -74.2 | 175 | -179.4 | 179.8 | 0 | 111.1 | K79 Q80 A85 R86 E87 | K79-K83 WeakPolarHBondContact O-CG 3.38Å; K79-K83 PolarHBondContact O-N 2.87Å; Q80-K83 WeakPolarHBondContact O-CB 3.43Å; Q80-K83 PolarHBondContact O-N 2.92Å; Q80-K83 VanDerWaalsContact O-N 3.09Å; K83-A85 VanDerWaalsContact C-N 3.34Å; K83-A85 PolarHBondContact O-N 3.08Å; K83-R86 WeakPolarHBondContact O-CB 3.41Å; K83-R86 PolarHBondContact O-N 3.08Å; K83-E87 PolarHBondContact O-N 3.35Å |
| 84 | Q | 95.8 | Very high | 93.3 | Very high | 108 Ų | 108 | 102.9 Ų | 102.9 | 51% | 0.505 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -57.2 | -46.6 | 176.1 | -72.3 | 173.6 | -14.9 | 0 | 0 | 111.5 | Q80 R81 R86 E87 E88 | Q80-Q84 WeakPolarHBondContact O-CG 3.4Å; Q80-Q84 PolarHBondContact O-N 3.01Å; R81-Q84 PolarHBondContact O-N 2.77Å; Q84-R86 PolarHBondContact O-N 2.96Å; Q84-E87 PolarHBondContact O-N 3.04Å; Q84-E87 VanDerWaalsContact O-N 3.13Å; Q84-E88 WeakPolarHBondContact O-CG 3.47Å; Q84-E88 PolarHBondContact O-N 3.23Å |
| 85 | A | 95.6 | Very high | 94.4 | Very high | 48 Ų | 48 | 102.3 Ų | 102.3 | 40% | 0.397 | 49% | 0.489 | S | S | . | . | H | α-helix | trans | -60.3 | -33.3 | 177.1 | 0 | 0 | 0 | 0 | 0 | 113 | R81 K83 L89 | R81-A85 WeakPolarHBondContact O-CB 3.45Å; R81-A85 PolarHBondContact O-N 2.83Å; K83-A85 VanDerWaalsContact C-N 3.34Å; K83-A85 PolarHBondContact O-N 3.08Å; A85-L89 WeakPolarHBondContact O-CD1 3.43Å; A85-L89 VanDerWaalsContact O-CG 3.23Å; A85-L89 WeakPolarHBondContact O-CG 3.45Å; A85-L89 PolarHBondContact O-N 2.81Å |
| 86 | R | 97 | Very high | 95.1 | Very high | 146 Ų | 146 | 106.1 Ų | 106.1 | 55% | 0.551 | 50% | 0.504 | S | S | * | . | H | α-helix | trans | -73 | -40.8 | 175.3 | -71.5 | 174.3 | -177.3 | 167.7 | 4.9 | 112 | Q82 K83 Q84 L89 Q90 | Q82-R86 VanDerWaalsContact NE2-NH2 3.18Å; Q82-R86 WeakPolarHBondContact O-CG 3.43Å; Q82-R86 PolarHBondContact O-N 2.89Å; K83-R86 WeakPolarHBondContact O-CB 3.41Å; K83-R86 PolarHBondContact O-N 3.08Å; Q84-R86 PolarHBondContact O-N 2.96Å; R86-L89 PolarHBondContact O-N 2.77Å; R86-Q90 WeakPolarHBondContact O-CB 3.49Å; R86-Q90 PolarHBondContact O-N 2.84Å |
| 87 | E | 97.7 | Very high | 95.7 | Very high | 110 Ų | 110 | 106.2 Ų | 106.2 | 51% | 0.514 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -63.7 | -47.5 | 177.2 | -72.9 | 169.7 | -173.7 | 0 | 0 | 110.7 | K83 Q84 L89 Q90 E91 | K83-E87 PolarHBondContact O-N 3.35Å; Q84-E87 PolarHBondContact O-N 3.04Å; Q84-E87 VanDerWaalsContact O-N 3.13Å; E87-L89 VanDerWaalsContact C-N 3.28Å; E87-L89 PolarHBondContact O-N 2.86Å; E87-Q90 CarbonylContact O-C 3.58Å; E87-Q90 WeakPolarHBondContact O-CA 3.45Å; E87-Q90 WeakPolarHBondContact O-CB 3.21Å; E87-Q90 PolarHBondContact O-N 2.87Å; E87-E91 WeakPolarHBondContact O-CG 3.39Å; E87-E91 PolarHBondContact O-N 3.48Å |
| 88 | E | 97.7 | Very high | 96 | Very high | 105 Ų | 105 | 107.1 Ų | 107.1 | 49% | 0.491 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -58.7 | -38.5 | 175.4 | -72.8 | -179.1 | -169.7 | 0 | 0 | 112.7 | Q84 K92 | Q84-E88 WeakPolarHBondContact O-CG 3.47Å; Q84-E88 PolarHBondContact O-N 3.23Å; E88-K92 WeakPolarHBondContact O-CG 3.28Å; E88-K92 PolarHBondContact O-N 2.96Å |
| 89 | L | 97.6 | Very high | 96.4 | Very high | 98 Ų | 98 | 107.3 Ų | 107.3 | 51% | 0.513 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -65.6 | -43.8 | 174.3 | -75.7 | 171 | 0 | 0 | 0 | 110.9 | A85 R86 E87 E91 K92 H93 | A85-L89 WeakPolarHBondContact O-CD1 3.43Å; A85-L89 VanDerWaalsContact O-CG 3.23Å; A85-L89 WeakPolarHBondContact O-CG 3.45Å; A85-L89 PolarHBondContact O-N 2.81Å; R86-L89 PolarHBondContact O-N 2.77Å; E87-L89 VanDerWaalsContact C-N 3.28Å; E87-L89 PolarHBondContact O-N 2.86Å; L89-E91 VanDerWaalsContact C-N 3.32Å; L89-E91 PolarHBondContact O-N 2.91Å; L89-K92 PolarHBondContact O-N 3.07Å; L89-H93 PolarHBondContact O-CD2 3.4Å; L89-H93 PolarHBondContact O-N 2.82Å |
| 90 | Q | 96.3 | Very high | 96.6 | Very high | 143 Ų | 143 | 108.6 Ų | 108.6 | 67% | 0.668 | 52% | 0.518 | S | S | * | . | H | α-helix | trans | -63.6 | -38.6 | 178.1 | -174.9 | 169.7 | -2.7 | 0 | 0 | 111.8 | R86 E87 H93 S94 | R86-Q90 WeakPolarHBondContact O-CB 3.49Å; R86-Q90 PolarHBondContact O-N 2.84Å; E87-Q90 CarbonylContact O-C 3.58Å; E87-Q90 WeakPolarHBondContact O-CA 3.45Å; E87-Q90 WeakPolarHBondContact O-CB 3.21Å; E87-Q90 PolarHBondContact O-N 2.87Å; Q90-H93 PolarHBondContact O-N 3.35Å; Q90-S94 WeakPolarHBondContact O-CB 3.05Å; Q90-S94 PolarHBondContact O-N 3.49Å |
| 91 | E | 97.6 | Very high | 96.6 | Very high | 114 Ų | 114 | 108.3 Ų | 108.3 | 53% | 0.533 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -63.6 | -47.1 | 173.6 | -72.9 | 179.5 | 169.9 | 0 | 0 | 111.5 | E87 L89 H93 S94 E95 | E87-E91 WeakPolarHBondContact O-CG 3.39Å; E87-E91 PolarHBondContact O-N 3.48Å; L89-E91 VanDerWaalsContact C-N 3.32Å; L89-E91 PolarHBondContact O-N 2.91Å; E91-H93 PolarHBondContact O-N 3.01Å; E91-S94 WeakPolarHBondContact CA-OG 3.31Å; E91-S94 PolarHBondContact O-N 2.94Å; E91-S94 PolarHBondContact O-OG 3.04Å; E91-E95 WeakPolarHBondContact O-CB 3.47Å; E91-E95 WeakPolarHBondContact O-CG 3.33Å; E91-E95 PolarHBondContact O-N 3.27Å |
| 92 | K | 97.9 | Very high | 96.7 | Very high | 110 Ų | 110 | 105.2 Ų | 105.2 | 48% | 0.478 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -58.3 | -35.6 | 174.3 | -74.4 | 169.3 | -177.9 | 163.9 | 0 | 112.4 | E88 L89 K96 | E88-K92 WeakPolarHBondContact O-CG 3.28Å; E88-K92 PolarHBondContact O-N 2.96Å; L89-K92 PolarHBondContact O-N 3.07Å; K92-K96 WeakPolarHBondContact O-CB 3.37Å; K92-K96 WeakPolarHBondContact O-CD 3.32Å; K92-K96 WeakPolarHBondContact O-CG 3.02Å; K92-K96 PolarHBondContact O-N 3.36Å |
| 93 | H | 96.3 | Very high | 96.8 | Very high | 123 Ų | 123 | 104 Ų | 104 | 57% | 0.569 | 51% | 0.512 | S | S | * | . | H | α-helix | trans | -72.2 | -39.6 | 174.9 | -77 | -66.8 | 0 | 0 | 0 | 112.4 | L89 Q90 E91 K96 A97 | L89-H93 PolarHBondContact O-CD2 3.4Å; L89-H93 PolarHBondContact O-N 2.82Å; Q90-H93 PolarHBondContact O-N 3.35Å; E91-H93 PolarHBondContact O-N 3.01Å; H93-K96 PolarHBondContact O-N 3.31Å; H93-A97 PolarHBondContact O-N 3.24Å |
| 94 | S | 96.9 | Very high | 96.7 | Very high | 66 Ų | 66 | 100 Ų | 100 | 46% | 0.462 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -68.8 | -40.9 | 178.2 | 72.6 | 0 | 0 | 0 | 0 | 111.6 | Q90 E91 K96 A97 F98 | Q90-S94 WeakPolarHBondContact O-CB 3.05Å; Q90-S94 PolarHBondContact O-N 3.49Å; E91-S94 WeakPolarHBondContact CA-OG 3.31Å; E91-S94 PolarHBondContact O-N 2.94Å; E91-S94 PolarHBondContact O-OG 3.04Å; S94-K96 VanDerWaalsContact C-N 3.35Å; S94-K96 PolarHBondContact O-N 3.05Å; S94-A97 PolarHBondContact O-N 3.32Å; S94-F98 WeakPolarHBondContact O-CB 3.28Å; S94-F98 PolarHBondContact O-N 2.77Å |
| 95 | E | 98 | Very high | 96.7 | Very high | 123 Ų | 123 | 98.7 Ų | 98.7 | 58% | 0.575 | 49% | 0.493 | S | S | * | . | H | α-helix | trans | -61 | -41.6 | 173.5 | -74 | -179.1 | 167.4 | 0 | 0 | 111.7 | E91 F98 S99 | E91-E95 WeakPolarHBondContact O-CB 3.47Å; E91-E95 WeakPolarHBondContact O-CG 3.33Å; E91-E95 PolarHBondContact O-N 3.27Å; E95-F98 PolarHBondContact O-N 2.96Å; E95-S99 VanDerWaalsContact O-CB 3.28Å; E95-S99 WeakPolarHBondContact O-CB 3.35Å; E95-S99 PolarHBondContact O-N 3.48Å; E95-S99 PolarHBondContact O-OG 3.18Å |
| 96 | K | 97.3 | Very high | 96.7 | Very high | 137 Ų | 137 | 101.5 Ų | 101.5 | 60% | 0.596 | 49% | 0.494 | S | S | * | . | H | α-helix | trans | -63.1 | -40.6 | 174 | -77.5 | 174.2 | -176.6 | -179.7 | 0 | 112.3 | K92 H93 S94 S99 Y100 | K92-K96 WeakPolarHBondContact O-CB 3.37Å; K92-K96 WeakPolarHBondContact O-CD 3.32Å; K92-K96 WeakPolarHBondContact O-CG 3.02Å; K92-K96 PolarHBondContact O-N 3.36Å; H93-K96 PolarHBondContact O-N 3.31Å; S94-K96 VanDerWaalsContact C-N 3.35Å; S94-K96 PolarHBondContact O-N 3.05Å; K96-S99 WeakPolarHBondContact CA-OG 3.25Å; K96-S99 PolarHBondContact O-OG 2.97Å; K96-Y100 WeakPolarHBondContact O-CB 3.41Å; K96-Y100 PolarHBondContact O-N 3.03Å; K96-Y100 VanDerWaalsContact O-N 3.08Å |
| 97 | A | 96.6 | Very high | 96.7 | Very high | 60 Ų | 60 | 97.3 Ų | 97.3 | 50% | 0.496 | 49% | 0.486 | S | S | . | . | H | α-helix | trans | -66.8 | -43.8 | 176.6 | 0 | 0 | 0 | 0 | 0 | 111.4 | H93 S94 Y100 Q101 | H93-A97 PolarHBondContact O-N 3.24Å; S94-A97 PolarHBondContact O-N 3.32Å; A97-Y100 PolarHBondContact O-N 3.13Å; A97-Q101 WeakPolarHBondContact O-CB 3.17Å; A97-Q101 PolarHBondContact O-N 2.68Å |
| 98 | F | 98 | Very high | 96.6 | Very high | 115 Ų | 115 | 100.1 Ų | 100.1 | 50% | 0.504 | 49% | 0.491 | S | S | . | . | H | α-helix | trans | -64.6 | -48.7 | 178.2 | -177.4 | -95.7 | 0 | 0 | 0 | 111.8 | S94 E95 Y100 Q101 E102 | S94-F98 WeakPolarHBondContact O-CB 3.28Å; S94-F98 PolarHBondContact O-N 2.77Å; E95-F98 PolarHBondContact O-N 2.96Å; F98-Y100 VanDerWaalsContact C-N 3.3Å; F98-Y100 PolarHBondContact O-N 3.43Å; F98-Q101 WeakPolarHBondContact O-CB 3.47Å; F98-Q101 PolarHBondContact O-N 2.8Å; F98-Q101 VanDerWaalsContact O-N 3.11Å; F98-E102 VanDerWaalsContact CE1-OE2 3.24Å; F98-E102 WeakPolarHBondContact CE1-OE2 3.42Å; F98-E102 PolarHBondContact O-N 3.04Å |
| 99 | S | 97.1 | Very high | 96.4 | Very high | 60 Ų | 60 | 101.6 Ų | 101.6 | 42% | 0.42 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -60.4 | -37.8 | 177.1 | 54.9 | 0 | 0 | 0 | 0 | 112.4 | E95 K96 S103 | E95-S99 VanDerWaalsContact O-CB 3.28Å; E95-S99 WeakPolarHBondContact O-CB 3.35Å; E95-S99 PolarHBondContact O-N 3.48Å; E95-S99 PolarHBondContact O-OG 3.18Å; K96-S99 WeakPolarHBondContact CA-OG 3.25Å; K96-S99 PolarHBondContact O-OG 2.97Å; S99-S103 VanDerWaalsContact O-CB 3.23Å; S99-S103 WeakPolarHBondContact O-CB 3.24Å; S99-S103 PolarHBondContact O-N 3.39Å; S99-S103 PolarHBondContact O-OG 2.84Å |
| 100 | Y | 96.4 | Very high | 96.3 | Very high | 120 Ų | 120 | 102.9 Ų | 102.9 | 47% | 0.471 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -66.6 | -42.6 | 173.3 | -179.5 | -99.3 | 0 | 0 | 0 | 112.3 | K96 A97 F98 E102 V104 L105 | K96-Y100 WeakPolarHBondContact O-CB 3.41Å; K96-Y100 PolarHBondContact O-N 3.03Å; K96-Y100 VanDerWaalsContact O-N 3.08Å; A97-Y100 PolarHBondContact O-N 3.13Å; F98-Y100 VanDerWaalsContact C-N 3.3Å; F98-Y100 PolarHBondContact O-N 3.43Å; Y100-E102 VanDerWaalsContact C-N 3.3Å; Y100-E102 PolarHBondContact O-N 3.21Å; Y100-V104 HydrophobicContact CD2-CB 3.91Å; Y100-V104 HydrophobicContact CD2-CG1 4.47Å; Y100-V104 HydrophobicContact CD2-CG2 3.63Å; Y100-V104 HydrophobicContact CE2-CB 3.7Å; Y100-V104 HydrophobicContact CE2-CG1 3.76Å; Y100-V104 HydrophobicContact CE2-CG2 3.65Å; Y100-V104 HydrophobicContact CG-CB 4.44Å; Y100-V104 HydrophobicContact CG-CG2 4.47Å; Y100-V104 WeakPolarHBondContact O-CA 3.44Å; Y100-V104 WeakPolarHBondContact O-CB 3.13Å; Y100-V104 PolarHBondContact O-N 3.46Å; Y100-L105 HydrophobicContact CD1-CD1 4.19Å; Y100-L105 HydrophobicContact CD1-CG 4.08Å; Y100-L105 HydrophobicContact CE1-CD1 4.03Å; Y100-L105 HydrophobicContact CE1-CD2 3.78Å; Y100-L105 HydrophobicContact CE1-CG 3.76Å; Y100-L105 PolarHBondContact O-N 3.19Å |
| 101 | Q | 95.6 | Very high | 96.2 | Very high | 104 Ų | 104 | 98.7 Ų | 98.7 | 49% | 0.486 | 49% | 0.488 | S | S | . | . | I | π-helix | trans | -60.9 | -41.7 | 177 | -179.5 | 172.7 | -13.6 | 0 | 0 | 111.6 | A97 F98 L105 R106 | A97-Q101 WeakPolarHBondContact O-CB 3.17Å; A97-Q101 PolarHBondContact O-N 2.68Å; F98-Q101 WeakPolarHBondContact O-CB 3.47Å; F98-Q101 PolarHBondContact O-N 2.8Å; F98-Q101 VanDerWaalsContact O-N 3.11Å; Q101-L105 HydrophobicContact CB-CD1 4.43Å; Q101-L105 HydrophobicContact CG-CD1 4.44Å; Q101-L105 WeakPolarHBondContact O-CB 3.5Å; Q101-L105 PolarHBondContact O-N 3.28Å; Q101-R106 PolarHBondContact O-N 3.01Å |
| 102 | E | 95.8 | Very high | 96.1 | Very high | 91 Ų | 91 | 95.9 Ų | 95.9 | 43% | 0.425 | 48% | 0.481 | S | S | . | . | I | π-helix | trans | -77 | -45.7 | -179.9 | -173.8 | 155.8 | -127.3 | 0 | 0 | 113.1 | F98 Y100 R106 P107 | F98-E102 VanDerWaalsContact CE1-OE2 3.24Å; F98-E102 WeakPolarHBondContact CE1-OE2 3.42Å; F98-E102 PolarHBondContact O-N 3.04Å; Y100-E102 VanDerWaalsContact C-N 3.3Å; Y100-E102 PolarHBondContact O-N 3.21Å; E102-R106 IonicContact OE1-NH1 3.79Å; E102-R106 PolarHBondContact OE1-NH1 2.84Å; E102-P107 WeakPolarHBondContact O-CD 3.25Å |
| 103 | S | 95.3 | Very high | 96 | Very high | 80 Ų | 80 | 94.9 Ų | 94.9 | 56% | 0.559 | 48% | 0.479 | S | S | * | . | I | π-helix | trans | -81.5 | -27.5 | -175.4 | 64 | 0 | 0 | 0 | 0 | 114.5 | S99 P107 | S99-S103 VanDerWaalsContact O-CB 3.23Å; S99-S103 WeakPolarHBondContact O-CB 3.24Å; S99-S103 PolarHBondContact O-N 3.39Å; S99-S103 PolarHBondContact O-OG 2.84Å; S103-P107 WeakPolarHBondContact O-CG 3.38Å |
| 104 | V | 94.9 | Very high | 96 | Very high | 39 Ų | 39 | 96.8 Ų | 96.8 | 24% | 0.236 | 48% | 0.481 | C | S | . | . | I | π-helix | trans | -113.5 | -51.5 | -174.5 | -176.3 | 0 | 0 | 0 | 0 | 111.9 | Y100 R108 | Y100-V104 HydrophobicContact CD2-CB 3.91Å; Y100-V104 HydrophobicContact CD2-CG1 4.47Å; Y100-V104 HydrophobicContact CD2-CG2 3.63Å; Y100-V104 HydrophobicContact CE2-CB 3.7Å; Y100-V104 HydrophobicContact CE2-CG1 3.76Å; Y100-V104 HydrophobicContact CE2-CG2 3.65Å; Y100-V104 HydrophobicContact CG-CB 4.44Å; Y100-V104 HydrophobicContact CG-CG2 4.47Å; Y100-V104 WeakPolarHBondContact O-CA 3.44Å; Y100-V104 WeakPolarHBondContact O-CB 3.13Å; Y100-V104 PolarHBondContact O-N 3.46Å; V104-R108 WeakPolarHBondContact O-CB 3.36Å; V104-R108 VanDerWaalsContact O-CG 3.26Å; V104-R108 WeakPolarHBondContact O-CG 3.32Å; V104-R108 PolarHBondContact O-N 3.05Å |
| 105 | L | 94.4 | Very high | 96 | Very high | 80 Ų | 80 | 99.4 Ų | 99.4 | 42% | 0.419 | 49% | 0.485 | S | S | . | . | I | π-helix | trans | -74.9 | -48.1 | -170.9 | -60.8 | -178.1 | 0 | 0 | 0 | 112.4 | Y100 Q101 R108 Q109 | Y100-L105 HydrophobicContact CD1-CD1 4.19Å; Y100-L105 HydrophobicContact CD1-CG 4.08Å; Y100-L105 HydrophobicContact CE1-CD1 4.03Å; Y100-L105 HydrophobicContact CE1-CD2 3.78Å; Y100-L105 HydrophobicContact CE1-CG 3.76Å; Y100-L105 PolarHBondContact O-N 3.19Å; Q101-L105 HydrophobicContact CB-CD1 4.43Å; Q101-L105 HydrophobicContact CG-CD1 4.44Å; Q101-L105 WeakPolarHBondContact O-CB 3.5Å; Q101-L105 PolarHBondContact O-N 3.28Å; L105-R108 PolarHBondContact O-N 3.18Å; L105-Q109 PolarHBondContact O-N 3.33Å |
| 106 | R | 95.7 | Very high | 95.9 | Very high | 108 Ų | 108 | 99 Ų | 99 | 41% | 0.408 | 48% | 0.481 | S | S | . | . | H | α-helix | trans | -58.9 | -51.8 | 178.8 | -81.6 | -172.9 | -175.8 | 161 | 1.8 | 112.7 | Q101 E102 R108 Q109 E110 | Q101-R106 PolarHBondContact O-N 3.01Å; E102-R106 IonicContact OE1-NH1 3.79Å; E102-R106 PolarHBondContact OE1-NH1 2.84Å; R106-R108 VanDerWaalsContact C-N 3.28Å; R106-R108 PolarHBondContact O-N 3Å; R106-Q109 WeakPolarHBondContact O-CB 3.45Å; R106-Q109 PolarHBondContact O-N 2.63Å; R106-E110 WeakPolarHBondContact O-CG 3.48Å; R106-E110 PolarHBondContact O-N 3.39Å |
| 107 | P | 97.8 | Very high | 95.7 | Very high | 58 Ų | 58 | 97.5 Ų | 97.5 | 38% | 0.377 | 48% | 0.476 | S | S | . | . | H | α-helix | trans | -61.7 | -34.2 | 178.7 | -27.9 | 36.7 | 0 | 0 | 0 | 113.5 | E102 S103 S111 | E102-P107 WeakPolarHBondContact O-CD 3.25Å; S103-P107 WeakPolarHBondContact O-CG 3.38Å; P107-S111 WeakPolarHBondContact O-CB 3.43Å; P107-S111 PolarHBondContact O-N 3.36Å; P107-S111 PolarHBondContact O-OG 2.92Å |
| 108 | R | 94.7 | Very high | 95.5 | Very high | 168 Ų | 168 | 99.4 Ų | 99.4 | 63% | 0.634 | 48% | 0.475 | S | S | * | . | H | α-helix | trans | -65.1 | -41.9 | 173.2 | -80.3 | -176.9 | 173.1 | -176.1 | 0.6 | 111.9 | V104 L105 R106 S111 S112 | V104-R108 WeakPolarHBondContact O-CB 3.36Å; V104-R108 VanDerWaalsContact O-CG 3.26Å; V104-R108 WeakPolarHBondContact O-CG 3.32Å; V104-R108 PolarHBondContact O-N 3.05Å; L105-R108 PolarHBondContact O-N 3.18Å; R106-R108 VanDerWaalsContact C-N 3.28Å; R106-R108 PolarHBondContact O-N 3Å; R108-S111 PolarHBondContact O-OG 2.71Å; R108-S112 WeakPolarHBondContact O-CB 3.42Å; R108-S112 PolarHBondContact O-N 3.34Å; R108-S112 VanDerWaalsContact O-N 3.1Å |
| 109 | Q | 93.4 | Very high | 95.2 | Very high | 137 Ų | 137 | 101.6 Ų | 101.6 | 64% | 0.64 | 48% | 0.48 | S | S | * | . | H | α-helix | trans | -67.4 | -46.8 | 177.3 | -173.2 | 173.7 | -7.9 | 0 | 0 | 111.3 | L105 R106 S112 M113 | L105-Q109 PolarHBondContact O-N 3.33Å; R106-Q109 WeakPolarHBondContact O-CB 3.45Å; R106-Q109 PolarHBondContact O-N 2.63Å; Q109-S112 WeakPolarHBondContact O-CB 3.43Å; Q109-S112 PolarHBondContact O-N 2.89Å; Q109-M113 WeakPolarHBondContact O-CG 3.33Å; Q109-M113 PolarHBondContact O-N 2.79Å |
| 110 | E | 95.4 | Very high | 94.9 | Very high | 125 Ų | 125 | 104.6 Ų | 104.6 | 58% | 0.584 | 49% | 0.485 | S | S | * | . | H | α-helix | trans | -61.7 | -47.8 | 177.8 | -73 | 173.6 | -167.6 | 0 | 0 | 112 | R106 S112 M113 R114 | R106-E110 WeakPolarHBondContact O-CG 3.48Å; R106-E110 PolarHBondContact O-N 3.39Å; E110-S112 VanDerWaalsContact C-N 3.26Å; E110-S112 PolarHBondContact O-N 2.73Å; E110-M113 PolarHBondContact O-N 3.15Å; E110-M113 VanDerWaalsContact O-N 3.09Å; E110-R114 WeakPolarHBondContact O-CB 3.3Å; E110-R114 PolarHBondContact O-N 3.01Å |
| 111 | S | 95.5 | Very high | 94.4 | Very high | 55 Ų | 55 | 106.4 Ų | 106.4 | 39% | 0.385 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -61.9 | -34.6 | 176.5 | 61.1 | 0 | 0 | 0 | 0 | 112.4 | P107 R108 K115 | P107-S111 WeakPolarHBondContact O-CB 3.43Å; P107-S111 PolarHBondContact O-N 3.36Å; P107-S111 PolarHBondContact O-OG 2.92Å; R108-S111 PolarHBondContact O-OG 2.71Å; S111-K115 WeakPolarHBondContact O-CB 3.38Å; S111-K115 VanDerWaalsContact O-CG 3.22Å; S111-K115 WeakPolarHBondContact O-CG 3.48Å; S111-K115 PolarHBondContact O-N 3.13Å |
| 112 | S | 95.6 | Very high | 93.9 | Very high | 55 Ų | 55 | 110 Ų | 110 | 39% | 0.385 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -67.1 | -41.2 | 173 | 171.3 | 0 | 0 | 0 | 0 | 112.1 | R108 Q109 E110 K116 | R108-S112 WeakPolarHBondContact O-CB 3.42Å; R108-S112 PolarHBondContact O-N 3.34Å; R108-S112 VanDerWaalsContact O-N 3.1Å; Q109-S112 WeakPolarHBondContact O-CB 3.43Å; Q109-S112 PolarHBondContact O-N 2.89Å; E110-S112 VanDerWaalsContact C-N 3.26Å; E110-S112 PolarHBondContact O-N 2.73Å; S112-K116 WeakPolarHBondContact O-CG 3.24Å; S112-K116 PolarHBondContact O-N 3Å |
| 113 | M | 95.8 | Very high | 93.1 | Very high | 89 Ų | 89 | 111.8 Ų | 111.8 | 44% | 0.438 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -67.3 | -46.5 | 176.5 | -68.3 | -58.6 | -69.1 | 0 | 0 | 111.4 | Q109 E110 K115 K116 E117 | Q109-M113 WeakPolarHBondContact O-CG 3.33Å; Q109-M113 PolarHBondContact O-N 2.79Å; E110-M113 PolarHBondContact O-N 3.15Å; E110-M113 VanDerWaalsContact O-N 3.09Å; M113-K115 VanDerWaalsContact C-N 3.33Å; M113-K115 PolarHBondContact O-N 3.26Å; M113-K116 WeakPolarHBondContact O-CA 3.23Å; M113-K116 VanDerWaalsContact O-CB 3.31Å; M113-K116 WeakPolarHBondContact O-CB 3.41Å; M113-K116 PolarHBondContact O-N 3.48Å; M113-K116 HydrophobicContact SD-CD 4.32Å; M113-E117 PolarHBondContact O-N 3.38Å |
| 114 | R | 96.1 | Very high | 92.3 | Very high | 162 Ų | 162 | 112 Ų | 112 | 61% | 0.611 | 51% | 0.509 | S | S | * | . | H | α-helix | trans | -57.7 | -43.2 | 175.5 | -174.4 | 178.3 | 171.8 | 159.8 | 7.3 | 112.2 | E110 K116 E117 E118 | E110-R114 WeakPolarHBondContact O-CB 3.3Å; E110-R114 PolarHBondContact O-N 3.01Å; R114-K116 PolarHBondContact O-N 3.28Å; R114-E117 PolarHBondContact O-N 2.87Å; R114-E118 HydrophobicContact CG-CG 4.32Å; R114-E118 WeakPolarHBondContact CG-OE1 3.48Å; R114-E118 IonicContact CZ-OE1 2.66Å; R114-E118 IonicContact NE-OE1 3.22Å; R114-E118 PolarHBondContact NE-OE1 2.82Å; R114-E118 IonicContact NH2-OE1 3.41Å; R114-E118 WeakPolarHBondContact O-CB 3.46Å; R114-E118 WeakPolarHBondContact O-CG 3.41Å; R114-E118 PolarHBondContact O-N 2.96Å |
| 115 | K | 96.9 | Very high | 91.4 | Very high | 122 Ų | 122 | 111.3 Ų | 111.3 | 53% | 0.53 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -63 | -24.3 | 173.7 | -78.4 | 176 | -179.4 | -179.2 | 0 | 113.9 | S111 M113 R119 | S111-K115 WeakPolarHBondContact O-CB 3.38Å; S111-K115 VanDerWaalsContact O-CG 3.22Å; S111-K115 WeakPolarHBondContact O-CG 3.48Å; S111-K115 PolarHBondContact O-N 3.13Å; M113-K115 VanDerWaalsContact C-N 3.33Å; M113-K115 PolarHBondContact O-N 3.26Å; K115-R119 WeakPolarHBondContact O-CB 3.48Å; K115-R119 WeakPolarHBondContact O-CG 3.49Å; K115-R119 PolarHBondContact O-N 3.32Å; K115-R119 PolarHBondContact O-NE 2.85Å; K115-R119 VanDerWaalsContact O-NE 3.14Å |
| 116 | K | 95.5 | Very high | 89.9 | Confident | 115 Ų | 115 | 114.3 Ų | 114.3 | 50% | 0.5 | 52% | 0.522 | S | S | . | . | H | α-helix | trans | -79.5 | -42.5 | 173.3 | -68.5 | 171.4 | -176.8 | 178.6 | 0 | 110.4 | S112 M113 R114 R119 F120 | S112-K116 WeakPolarHBondContact O-CG 3.24Å; S112-K116 PolarHBondContact O-N 3Å; M113-K116 WeakPolarHBondContact O-CA 3.23Å; M113-K116 VanDerWaalsContact O-CB 3.31Å; M113-K116 WeakPolarHBondContact O-CB 3.41Å; M113-K116 PolarHBondContact O-N 3.48Å; M113-K116 HydrophobicContact SD-CD 4.32Å; R114-K116 PolarHBondContact O-N 3.28Å; K116-R119 PolarHBondContact O-N 3.44Å; K116-F120 WeakPolarHBondContact O-CB 3.41Å; K116-F120 PolarHBondContact O-N 3.05Å |
| 117 | E | 93.4 | Very high | 88.1 | Confident | 105 Ų | 105 | 115 Ų | 115 | 49% | 0.491 | 54% | 0.538 | S | S | . | . | H | α-helix | trans | -62.1 | -48.6 | 174.5 | -69.9 | 170 | -173.4 | 0 | 0 | 111.5 | M113 R114 R119 F120 Y121 | M113-E117 PolarHBondContact O-N 3.38Å; R114-E117 PolarHBondContact O-N 2.87Å; E117-R119 VanDerWaalsContact C-N 3.26Å; E117-R119 PolarHBondContact O-N 3.32Å; E117-F120 CarbonylContact O-C 3.58Å; E117-F120 WeakPolarHBondContact O-CA 3.35Å; E117-F120 WeakPolarHBondContact O-CB 3.36Å; E117-F120 PolarHBondContact O-N 3.19Å; E117-Y121 HydrophobicContact CB-CD2 4.43Å; E117-Y121 HydrophobicContact CB-CE2 4.4Å; E117-Y121 WeakPolarHBondContact O-CD2 3.48Å; E117-Y121 PolarHBondContact O-N 3.4Å |
| 118 | E | 92.9 | Very high | 86.3 | Confident | 100 Ų | 100 | 120 Ų | 120 | 47% | 0.467 | 55% | 0.55 | S | S | . | . | H | α-helix | trans | -58.9 | -38.6 | 175.1 | -73.8 | 172.1 | -175.7 | 0 | 0 | 111.4 | R114 R122 | R114-E118 HydrophobicContact CG-CG 4.32Å; R114-E118 WeakPolarHBondContact CG-OE1 3.48Å; R114-E118 IonicContact CZ-OE1 2.66Å; R114-E118 IonicContact NE-OE1 3.22Å; R114-E118 PolarHBondContact NE-OE1 2.82Å; R114-E118 IonicContact NH2-OE1 3.41Å; R114-E118 WeakPolarHBondContact O-CB 3.46Å; R114-E118 WeakPolarHBondContact O-CG 3.41Å; R114-E118 PolarHBondContact O-N 2.96Å; E118-R122 WeakPolarHBondContact O-CB 3.42Å; E118-R122 PolarHBondContact O-N 3Å |
| 119 | R | 90.4 | Very high | 84.7 | Confident | 161 Ų | 161 | 118.5 Ų | 118.5 | 61% | 0.608 | 55% | 0.548 | S | S | * | . | H | α-helix | trans | -67.2 | -39.8 | 173.1 | -87.6 | -172.4 | -81.1 | -171.2 | -5.5 | 112.3 | K115 K116 E117 R122 M123 | K115-R119 WeakPolarHBondContact O-CB 3.48Å; K115-R119 WeakPolarHBondContact O-CG 3.49Å; K115-R119 PolarHBondContact O-N 3.32Å; K115-R119 PolarHBondContact O-NE 2.85Å; K115-R119 VanDerWaalsContact O-NE 3.14Å; K116-R119 PolarHBondContact O-N 3.44Å; E117-R119 VanDerWaalsContact C-N 3.26Å; E117-R119 PolarHBondContact O-N 3.32Å; R119-R122 PolarHBondContact O-N 2.96Å; R119-M123 VanDerWaalsContact O-CG 3.23Å; R119-M123 WeakPolarHBondContact O-CG 3.44Å; R119-M123 PolarHBondContact O-N 3.27Å; R119-M123 VanDerWaalsContact O-N 3.17Å |
| 120 | F | 91.7 | Very high | 83 | Confident | 123 Ų | 123 | 119.3 Ų | 119.3 | 54% | 0.539 | 56% | 0.556 | S | S | . | * | H | α-helix | trans | -61.2 | -55.2 | 176 | 177.6 | -96.6 | 0 | 0 | 0 | 110.2 | K116 E117 R122 M123 T124 | K116-F120 WeakPolarHBondContact O-CB 3.41Å; K116-F120 PolarHBondContact O-N 3.05Å; E117-F120 CarbonylContact O-C 3.58Å; E117-F120 WeakPolarHBondContact O-CA 3.35Å; E117-F120 WeakPolarHBondContact O-CB 3.36Å; E117-F120 PolarHBondContact O-N 3.19Å; F120-R122 VanDerWaalsContact C-N 3.3Å; F120-R122 PolarHBondContact O-N 2.95Å; F120-M123 PolarHBondContact O-N 2.88Å; F120-T124 HydrophobicContact CD2-CG2 4.45Å; F120-T124 HydrophobicContact CE1-CG2 4.28Å; F120-T124 HydrophobicContact CE2-CG2 4.03Å; F120-T124 HydrophobicContact CZ-CG2 3.94Å; F120-T124 PolarHBondContact O-N 2.97Å; F120-T124 PolarHBondContact O-OG1 3.23Å |
| 121 | Y | 86.5 | Confident | 81.5 | Confident | 157 Ų | 157 | 119.6 Ų | 119.6 | 62% | 0.616 | 57% | 0.566 | S | S | * | * | H | α-helix | trans | -65.6 | -30.3 | 178.5 | -70.2 | -64.1 | 0 | 0 | 0 | 113.3 | E117 M123 T124 G125 | E117-Y121 HydrophobicContact CB-CD2 4.43Å; E117-Y121 HydrophobicContact CB-CE2 4.4Å; E117-Y121 WeakPolarHBondContact O-CD2 3.48Å; E117-Y121 PolarHBondContact O-N 3.4Å; Y121-M123 PolarHBondContact O-N 3.13Å; Y121-T124 WeakPolarHBondContact CA-OG1 3.43Å; Y121-G125 VanDerWaalsContact O-CA 3.27Å; Y121-G125 WeakPolarHBondContact O-CA 3.43Å; Y121-G125 PolarHBondContact O-N 3.36Å |
| 122 | R | 84.9 | Confident | 79.8 | Confident | 181 Ų | 181 | 125 Ų | 125 | 68% | 0.683 | 59% | 0.59 | S | S | * | * | H | α-helix | trans | -61.9 | -35.4 | 171 | -178.6 | 176.9 | 179.1 | -173.4 | 0.3 | 111.5 | E118 R119 F120 W128 | E118-R122 WeakPolarHBondContact O-CB 3.42Å; E118-R122 PolarHBondContact O-N 3Å; R119-R122 PolarHBondContact O-N 2.96Å; F120-R122 VanDerWaalsContact C-N 3.3Å; F120-R122 PolarHBondContact O-N 2.95Å; R122-W128 PolarHBondContact O-NE1 3.1Å |
| 123 | M | 78.8 | Confident | 78.3 | Confident | 128 Ų | 128 | 125.6 Ų | 125.6 | 63% | 0.631 | 61% | 0.606 | S | S | * | * | H | α-helix | trans | -87 | -27.8 | -178.6 | -65.3 | -69.3 | -68.7 | 0 | 0 | 113 | R119 F120 Y121 W128 | R119-M123 VanDerWaalsContact O-CG 3.23Å; R119-M123 WeakPolarHBondContact O-CG 3.44Å; R119-M123 PolarHBondContact O-N 3.27Å; R119-M123 VanDerWaalsContact O-N 3.17Å; F120-M123 PolarHBondContact O-N 2.88Å; Y121-M123 PolarHBondContact O-N 3.13Å; M123-W128 HydrophobicContact SD-CZ2 3.89Å |
| 124 | T | 78.8 | Confident | 76.7 | Confident | 84 Ų | 84 | 130.1 Ų | 130.1 | 52% | 0.515 | 63% | 0.626 | S | S | . | * | H | α-helix | trans | -103.4 | -9.4 | -177.8 | 53.1 | 0 | 0 | 0 | 0 | 114.2 | F120 Y121 | F120-T124 HydrophobicContact CD2-CG2 4.45Å; F120-T124 HydrophobicContact CE1-CG2 4.28Å; F120-T124 HydrophobicContact CE2-CG2 4.03Å; F120-T124 HydrophobicContact CZ-CG2 3.94Å; F120-T124 PolarHBondContact O-N 2.97Å; F120-T124 PolarHBondContact O-OG1 3.23Å; Y121-T124 WeakPolarHBondContact CA-OG1 3.43Å |
| 125 | G | 74.2 | Confident | 74.8 | Confident | 24 Ų | 24 | 131.6 Ų | 131.6 | 25% | 0.247 | 64% | 0.639 | C | S | . | * | S | Bend | trans | -69 | 158.2 | 178.4 | 0 | 0 | 0 | 0 | 0 | 113 | Y121 T127 W128 | Y121-G125 VanDerWaalsContact O-CA 3.27Å; Y121-G125 WeakPolarHBondContact O-CA 3.43Å; Y121-G125 PolarHBondContact O-N 3.36Å; G125-T127 PolarHBondContact O-N 2.96Å; G125-W128 PolarHBondContact O-N 3.33Å |
| 126 | E | 63.9 | Low | 72.9 | Confident | 143 Ų | 143 | 134 Ų | 134 | 67% | 0.668 | 66% | 0.657 | S | S | * | * | G | 310 helix | trans | -63.5 | -7.7 | 179.9 | -51.7 | -163.2 | 123.3 | 0 | 0 | 113.6 | W128 K129 | E126-W128 PolarHBondContact O-N 3.44Å; E126-K129 HydrophobicContact CB-CD 4.2Å; E126-K129 HydrophobicContact CG-CD 4.3Å; E126-K129 WeakPolarHBondContact O-CB 3.48Å; E126-K129 PolarHBondContact O-N 2.91Å; E126-K129 IonicContact OE1-NZ 2.91Å; E126-K129 PolarHBondContact OE1-NZ 3.09Å |
| 127 | T | 58.7 | Low | 70.6 | Confident | 122 Ų | 122 | 131.7 Ų | 131.7 | 75% | 0.748 | 67% | 0.666 | S | S | * | * | G | 310 helix | trans | -65.2 | -17.3 | 173.5 | 46.8 | 0 | 0 | 0 | 0 | 114.3 | G125 | G125-T127 PolarHBondContact O-N 2.96Š|
| 128 | W | 59.2 | Low | 68.2 | Low | 164 Ų | 164 | 136.5 Ų | 136.5 | 62% | 0.621 | 69% | 0.689 | S | S | * | * | G | 310 helix | trans | -94.1 | -11 | 169.3 | -70.9 | 82.5 | 0 | 0 | 0 | 113.6 | R122 M123 G125 E126 L130 | R122-W128 PolarHBondContact O-NE1 3.1Å; M123-W128 HydrophobicContact SD-CZ2 3.89Å; G125-W128 PolarHBondContact O-N 3.33Å; E126-W128 PolarHBondContact O-N 3.44Å; W128-L130 PolarHBondContact O-N 2.98Å; W128-L130 VanDerWaalsContact O-N 3.14Å |
| 129 | K | 61.3 | Low | 65.4 | Low | 136 Ų | 136 | 135.6 Ų | 135.6 | 59% | 0.591 | 71% | 0.706 | S | S | * | * | S | Bend | trans | -72.8 | 110.4 | 169.8 | -61.9 | 179.6 | -175 | 171.2 | 0 | 105.2 | E126 T131 | E126-K129 HydrophobicContact CB-CD 4.2Å; E126-K129 HydrophobicContact CG-CD 4.3Å; E126-K129 WeakPolarHBondContact O-CB 3.48Å; E126-K129 PolarHBondContact O-N 2.91Å; E126-K129 IonicContact OE1-NZ 2.91Å; E126-K129 PolarHBondContact OE1-NZ 3.09Å; K129-T131 PolarHBondContact O-N 3.49Å |
| 130 | L | 58.2 | Low | 63.1 | Low | 154 Ų | 154 | 136.8 Ų | 136.8 | 81% | 0.806 | 72% | 0.719 | S | S | * | * | trans | -44.9 | 127.4 | 170.9 | -82.9 | 97.5 | 0 | 0 | 0 | 108 | W128 | W128-L130 PolarHBondContact O-N 2.98Å; W128-L130 VanDerWaalsContact O-N 3.14Å | ||
| 131 | T | 63.5 | Low | 60.7 | Low | 131 Ų | 131 | 136 Ų | 136 | 80% | 0.804 | 73% | 0.728 | S | S | * | * | S | Bend | trans | -45.2 | 140.9 | 158.5 | 40.7 | 0 | 0 | 0 | 0 | 108.9 | K129 G133 | K129-T131 PolarHBondContact O-N 3.49Å; T131-G133 PolarHBondContact O-N 3.33Å |
| 132 | D | 60.4 | Low | 58.1 | Low | 168 Ų | 168 | 136.9 Ų | 136.9 | 90% | 0.898 | 74% | 0.743 | S | S | * | * | S | Bend | trans | -21.6 | 111.2 | -172.3 | -75.9 | -27.3 | 0 | 0 | 0 | 113.5 | E134 | D132-E134 PolarHBondContact O-N 3.46Š|
| 133 | G | 63 | Low | 55.5 | Low | 68 Ų | 68 | 131.8 Ų | 131.8 | 70% | 0.701 | 75% | 0.746 | S | S | * | * | trans | -59.3 | 125.1 | -171.5 | 0 | 0 | 0 | 0 | 0 | 112 | T131 | T131-G133 PolarHBondContact O-N 3.33Š| ||
| 134 | E | 63.1 | Low | 53.4 | Low | 184 Ų | 184 | 135.3 Ų | 135.3 | 86% | 0.86 | 76% | 0.761 | S | S | * | * | trans | -75.1 | 127.7 | 171.9 | -168 | 148.8 | 176.5 | 0 | 0 | 110 | D132 L136 | D132-E134 PolarHBondContact O-N 3.46Å; E134-L136 PolarHBondContact O-N 2.94Å; E134-L136 VanDerWaalsContact O-N 3.14Å | ||
| 135 | Q | 56 | Low | 51 | Low | 193 Ų | 193 | 137 Ų | 137 | 90% | 0.902 | 78% | 0.776 | S | S | * | * | trans | -78.2 | 98.9 | -170.9 | -138.9 | 175.2 | 21.7 | 0 | 0 | 110 | G137 | Q135-G137 PolarHBondContact O-N 2.66Š| ||
| 136 | L | 56.7 | Low | 49 | Very low | 172 Ų | 172 | 140.4 Ų | 140.4 | 90% | 0.901 | 80% | 0.802 | S | S | * | * | trans | -87.2 | 95.2 | 171.1 | -69.4 | 173.4 | 0 | 0 | 0 | 109.6 | E134 | E134-L136 PolarHBondContact O-N 2.94Å; E134-L136 VanDerWaalsContact O-N 3.14Å | ||
| 137 | G | 47.2 | Very low | 47.7 | Very low | 67 Ų | 67 | 143 Ų | 143 | 69% | 0.691 | 81% | 0.814 | S | S | * | * | trans | -84.6 | 150.9 | 170 | 0 | 0 | 0 | 0 | 0 | 113.3 | Q135 | Q135-G137 PolarHBondContact O-N 2.66Š| ||
| 138 | E | 42.9 | Very low | 46.6 | Very low | 207 Ų | 207 | 145.9 Ų | 145.9 | 97% | 0.967 | 82% | 0.819 | S | S | * | * | trans | 62.6 | 112.6 | 150.7 | -89.1 | 178.6 | 155.9 | 0 | 0 | 120.9 | ||||
| 139 | G | 34.8 | Very low | 46 | Very low | 80 Ų | 80 | 143 Ų | 143 | 83% | 0.825 | 83% | 0.83 | S | S | * | * | trans | 161 | 108.4 | 158.7 | 0 | 0 | 0 | 0 | 0 | 113.4 | ||||
| 140 | E | 41.2 | Very low | 45.1 | Very low | 187 Ų | 187 | 142.5 Ų | 142.5 | 87% | 0.874 | 84% | 0.839 | S | S | * | * | trans | -81.3 | 150.3 | -166.4 | -55.7 | 179.2 | 152.7 | 0 | 0 | 116.6 | ||||
| 141 | S | 40.7 | Very low | 44.7 | Very low | 105 Ų | 105 | 143.3 Ų | 143.3 | 73% | 0.734 | 84% | 0.844 | S | S | * | * | trans | 67.8 | 116.4 | 144.7 | 80.7 | 0 | 0 | 0 | 0 | 121.3 | ||||
| 142 | L | 32.2 | Very low | 44.4 | Very low | 177 Ų | 177 | 138.8 Ų | 138.8 | 93% | 0.927 | 82% | 0.823 | S | S | * | * | -171 | 129.3 | 115.2 | -143.7 | 80.6 | 0 | 0 | 0 | 112.1 | |||||
| 143 | G | 30.9 | Very low | 45 | Very low | 74 Ų | 74 | 135 Ų | 135 | 76% | 0.763 | 81% | 0.806 | S | S | * | * | trans | 76.9 | 88.1 | 138.8 | 0 | 0 | 0 | 0 | 0 | 119.3 | ||||
| 144 | Q | 33.8 | Very low | 45.1 | Very low | 202 Ų | 202 | 137 Ų | 137 | 94% | 0.944 | 81% | 0.806 | S | S | * | * | trans | -60.5 | 136.1 | 156.8 | -69.1 | 165.9 | -9 | 0 | 0 | 111.5 | ||||
| 145 | S | 28.2 | Very low | 45.3 | Very low | 119 Ų | 119 | 134.2 Ų | 134.2 | 83% | 0.832 | 80% | 0.798 | S | S | * | * | trans | -161.1 | 117.5 | 131.3 | -146.3 | 0 | 0 | 0 | 0 | 113.4 | ||||
| 146 | A | 33.5 | Very low | 46 | Very low | 95 Ų | 95 | 130.5 Ų | 130.5 | 79% | 0.785 | 78% | 0.78 | S | S | * | * | trans | 55.3 | 83.7 | 147.7 | 0 | 0 | 0 | 0 | 0 | 119.6 | ||||
| 147 | Q | 35.4 | Very low | 46.5 | Very low | 198 Ų | 198 | 126 Ų | 126 | 93% | 0.925 | 76% | 0.755 | S | S | * | * | trans | -79 | 111.9 | 146.5 | -76.5 | 176.5 | -37.2 | 0 | 0 | 108.8 | A149 | Q147-A149 PolarHBondContact O-N 3.41Š| ||
| 148 | E | 37.2 | Very low | 47.3 | Very low | 183 Ų | 183 | 124.6 Ų | 124.6 | 86% | 0.855 | 74% | 0.736 | S | S | * | * | trans | -65.2 | 110 | 159 | -97.1 | -177.5 | 151.9 | 0 | 0 | 108.4 | V150 | E148-V150 PolarHBondContact O-N 3.22Å; E148-V150 VanDerWaalsContact O-N 3.16Å | ||
| 149 | A | 45.3 | Very low | 48.3 | Very low | 103 Ų | 103 | 118.3 Ų | 118.3 | 85% | 0.851 | 71% | 0.712 | S | S | * | * | trans | -69.4 | 103.6 | 172 | 0 | 0 | 0 | 0 | 0 | 109.5 | Q147 | Q147-A149 PolarHBondContact O-N 3.41Š| ||
| 150 | V | 42.4 | Very low | 49.9 | Very low | 126 Ų | 126 | 123.8 Ų | 123.8 | 76% | 0.764 | 71% | 0.708 | S | S | * | * | trans | -99.3 | 105.5 | 167 | 177.7 | 0 | 0 | 0 | 0 | 108.2 | E148 G152 | E148-V150 PolarHBondContact O-N 3.22Å; E148-V150 VanDerWaalsContact O-N 3.16Å; V150-G152 PolarHBondContact O-N 3.02Å | ||
| 151 | D | 50.7 | Low | 51 | Low | 171 Ų | 171 | 124.3 Ų | 124.3 | 91% | 0.914 | 70% | 0.702 | S | S | * | * | trans | -67.1 | 92.6 | 174.6 | -174.7 | 27.1 | 0 | 0 | 0 | 110.2 | ||||
| 152 | G | 57.9 | Low | 51.9 | Low | 36 Ų | 36 | 129.7 Ų | 129.7 | 37% | 0.371 | 71% | 0.706 | S | S | . | * | trans | -155 | 125.7 | 178.9 | 0 | 0 | 0 | 0 | 0 | 111.4 | V150 | V150-G152 PolarHBondContact O-N 3.02Š| ||
| 153 | T | 71.1 | Confident | 53 | Low | 89 Ų | 89 | 128.6 Ų | 128.6 | 55% | 0.546 | 69% | 0.694 | S | S | . | * | trans | -60.9 | 143.8 | 175.5 | -25.2 | 0 | 0 | 0 | 0 | 109 | N155 Q156 E157 | T153-N155 PolarHBondContact O-N 2.96Å; T153-Q156 WeakPolarHBondContact O-CA 3.36Å; T153-Q156 WeakPolarHBondContact O-CB 3.48Å; T153-Q156 PolarHBondContact O-N 3.2Å; T153-E157 PolarHBondContact O-N 3.44Å | ||
| 154 | P | 65.3 | Low | 53.8 | Low | 108 Ų | 108 | 132.7 Ų | 132.7 | 70% | 0.701 | 70% | 0.697 | S | S | * | * | H | α-helix | trans | -52.8 | -27 | -177.2 | -29.2 | 34.1 | 0 | 0 | 0 | 114.7 | A158 | P154-A158 WeakPolarHBondContact O-CB 3.47Å; P154-A158 PolarHBondContact O-N 2.99Å |
| 155 | N | 67.5 | Low | 54.5 | Low | 127 Ų | 127 | 127.9 Ų | 127.9 | 68% | 0.679 | 68% | 0.684 | S | S | * | * | H | α-helix | trans | -72 | -30.8 | 176.9 | -138.9 | 10.8 | 0 | 0 | 0 | 113 | T153 V159 | T153-N155 PolarHBondContact O-N 2.96Å; N155-V159 VanDerWaalsContact O-CG2 3.23Å; N155-V159 WeakPolarHBondContact O-CG2 3.39Å; N155-V159 PolarHBondContact O-N 3.01Å; N155-V159 VanDerWaalsContact O-N 3.1Å |
| 156 | Q | 71 | Confident | 55.4 | Low | 114 Ų | 114 | 130.5 Ų | 130.5 | 53% | 0.533 | 68% | 0.683 | S | S | . | * | H | α-helix | trans | -72.3 | -38.3 | 174.3 | -68.2 | 179.4 | -10.3 | 0 | 0 | 111.3 | T153 V159 R160 | T153-Q156 WeakPolarHBondContact O-CA 3.36Å; T153-Q156 WeakPolarHBondContact O-CB 3.48Å; T153-Q156 PolarHBondContact O-N 3.2Å; Q156-V159 PolarHBondContact O-N 2.73Å; Q156-R160 PolarHBondContact O-N 3.36Å |
| 157 | E | 66.6 | Low | 55.9 | Low | 78 Ų | 78 | 131.2 Ų | 131.2 | 36% | 0.364 | 68% | 0.682 | S | S | . | * | H | α-helix | trans | -65.7 | -41.9 | 174.4 | -179.3 | 58 | -162.4 | 0 | 0 | 111.1 | T153 V159 R160 R161 | T153-E157 PolarHBondContact O-N 3.44Å; E157-V159 VanDerWaalsContact C-N 3.29Å; E157-V159 PolarHBondContact O-N 3.47Å; E157-R160 PolarHBondContact O-N 3.2Å; E157-R161 WeakPolarHBondContact O-CG 3.43Å; E157-R161 PolarHBondContact O-N 3.17Å; E157-R161 IonicContact OE1-CZ 3.37Å; E157-R161 IonicContact OE1-NE 2.8Å; E157-R161 PolarHBondContact OE1-NE 2.91Å; E157-R161 IonicContact OE1-NH2 3.02Å; E157-R161 PolarHBondContact OE1-NH2 3.35Å |
| 158 | A | 65.4 | Low | 56.5 | Low | 37 Ų | 37 | 126.1 Ų | 126.1 | 31% | 0.306 | 67% | 0.673 | S | S | . | * | H | α-helix | trans | -63.7 | -31.9 | 173.5 | 0 | 0 | 0 | 0 | 0 | 113.2 | P154 R162 | P154-A158 WeakPolarHBondContact O-CB 3.47Å; P154-A158 PolarHBondContact O-N 2.99Å; A158-R162 WeakPolarHBondContact O-CG 3.23Å; A158-R162 PolarHBondContact O-N 3.31Å |
| 159 | V | 63.9 | Low | 56.6 | Low | 76 Ų | 76 | 123.1 Ų | 123.1 | 46% | 0.461 | 67% | 0.668 | S | S | . | * | H | α-helix | trans | -74.5 | -38.9 | 173.8 | 169.1 | 0 | 0 | 0 | 0 | 111.6 | N155 Q156 E157 R162 K163 | N155-V159 VanDerWaalsContact O-CG2 3.23Å; N155-V159 WeakPolarHBondContact O-CG2 3.39Å; N155-V159 PolarHBondContact O-N 3.01Å; N155-V159 VanDerWaalsContact O-N 3.1Å; Q156-V159 PolarHBondContact O-N 2.73Å; E157-V159 VanDerWaalsContact C-N 3.29Å; E157-V159 PolarHBondContact O-N 3.47Å; V159-R162 PolarHBondContact O-N 2.75Å; V159-K163 PolarHBondContact O-N 3.17Å |
| 160 | R | 68.1 | Low | 56.3 | Low | 194 Ų | 194 | 129.2 Ų | 129.2 | 73% | 0.732 | 67% | 0.669 | S | S | * | * | H | α-helix | trans | -60.2 | -44.4 | 173.2 | -87.2 | -172.4 | 75.5 | 121 | -2 | 111.5 | Q156 E157 R162 K163 | Q156-R160 PolarHBondContact O-N 3.36Å; E157-R160 PolarHBondContact O-N 3.2Å; R160-R162 PolarHBondContact O-N 3.47Å; R160-K163 PolarHBondContact O-N 3.4Å |
| 161 | R | 64.6 | Low | 56.1 | Low | 199 Ų | 199 | 131.2 Ų | 131.2 | 75% | 0.751 | 68% | 0.675 | S | S | * | * | H | α-helix | trans | -67.9 | -18.8 | -179.7 | -68.3 | -172.6 | -173.8 | -149.8 | 0.6 | 114.5 | E157 | E157-R161 WeakPolarHBondContact O-CG 3.43Å; E157-R161 PolarHBondContact O-N 3.17Å; E157-R161 IonicContact OE1-CZ 3.37Å; E157-R161 IonicContact OE1-NE 2.8Å; E157-R161 PolarHBondContact OE1-NE 2.91Å; E157-R161 IonicContact OE1-NH2 3.02Å; E157-R161 PolarHBondContact OE1-NH2 3.35Å |
| 162 | R | 59.4 | Low | 55.4 | Low | 217 Ų | 217 | 131.9 Ų | 131.9 | 82% | 0.819 | 67% | 0.672 | S | S | * | * | H | α-helix | trans | -94.1 | -12.7 | 176.5 | -70.7 | 177.9 | -176.5 | 176.8 | 2.2 | 113.7 | A158 V159 R160 | A158-R162 WeakPolarHBondContact O-CG 3.23Å; A158-R162 PolarHBondContact O-N 3.31Å; V159-R162 PolarHBondContact O-N 2.75Å; R160-R162 PolarHBondContact O-N 3.47Å |
| 163 | K | 55.5 | Low | 54.5 | Low | 155 Ų | 155 | 135.3 Ų | 135.3 | 67% | 0.674 | 69% | 0.688 | S | S | * | * | S | Bend | trans | -87.3 | 114.5 | 172.9 | -72.1 | -175.8 | 177.9 | -169.4 | 0 | 108.5 | V159 R160 | V159-K163 PolarHBondContact O-N 3.17Å; R160-K163 PolarHBondContact O-N 3.4Å |
| 164 | L | 48 | Very low | 52.5 | Low | 160 Ų | 160 | 140.7 Ų | 140.7 | 84% | 0.838 | 70% | 0.703 | S | S | * | * | trans | -49.4 | 142.6 | 166.9 | -114 | 80 | 0 | 0 | 0 | 109.5 | E166 | L164-E166 PolarHBondContact O-N 2.87Š| ||
| 165 | P | 47.8 | Very low | 51.2 | Low | 101 Ų | 101 | 141.3 Ų | 141.3 | 66% | 0.656 | 71% | 0.707 | S | S | * | * | trans | -57.3 | 126.7 | -179.1 | 20.4 | -29.9 | 0 | 0 | 0 | 111.2 | S167 | P165-S167 PolarHBondContact O-N 2.72Š| ||
| 166 | E | 46 | Very low | 49.7 | Very low | 174 Ų | 174 | 144.4 Ų | 144.4 | 81% | 0.813 | 72% | 0.718 | S | S | * | * | G | 310 helix | trans | -69.2 | 9.3 | -176.6 | -144.8 | 169.8 | -157.5 | 0 | 0 | 113.3 | L164 A168 | L164-E166 PolarHBondContact O-N 2.87Å; E166-A168 VanDerWaalsContact C-N 3.26Å; E166-A168 PolarHBondContact O-N 2.81Å |
| 167 | S | 45.7 | Very low | 47.9 | Very low | 109 Ų | 109 | 145.6 Ų | 145.6 | 76% | 0.762 | 73% | 0.732 | S | S | * | * | G | 310 helix | trans | -77.3 | -6.6 | 176 | 52.9 | 0 | 0 | 0 | 0 | 113.7 | P165 | P165-S167 PolarHBondContact O-N 2.72Š|
| 168 | A | 46.5 | Very low | 46.6 | Very low | 91 Ų | 91 | 147.3 Ų | 147.3 | 75% | 0.752 | 75% | 0.75 | S | S | * | * | G | 310 helix | trans | -96.5 | -3.7 | 177.1 | 0 | 0 | 0 | 0 | 0 | 114.7 | E166 | E166-A168 VanDerWaalsContact C-N 3.26Å; E166-A168 PolarHBondContact O-N 2.81Å |
| 169 | T | 40.8 | Very low | 45.5 | Very low | 121 Ų | 121 | 151.3 Ų | 151.3 | 74% | 0.742 | 77% | 0.773 | S | S | * | * | trans | -126.7 | 50.7 | -174.6 | -42.5 | 0 | 0 | 0 | 0 | 112.5 | ||||
| 170 | R | 38.8 | Very low | 44.1 | Very low | 230 Ų | 230 | 156.1 Ų | 156.1 | 87% | 0.868 | 79% | 0.791 | S | S | * | * | trans | -124.5 | 90.1 | 164.1 | -74.9 | -163.4 | 179.3 | -157.3 | 1.5 | 111 | ||||
| 171 | L | 37.8 | Very low | 42.5 | Very low | 169 Ų | 169 | 155.9 Ų | 155.9 | 89% | 0.885 | 80% | 0.795 | S | S | * | * | S | Bend | trans | -123.2 | 99.1 | 150.5 | -72.5 | 176.1 | 0 | 0 | 0 | 108.6 | ||
| 172 | H | 35.6 | Very low | 41.4 | Very low | 185 Ų | 185 | 158 Ų | 158 | 86% | 0.856 | 80% | 0.803 | S | S | * | * | trans | 79.7 | 145.2 | 157.7 | -90.4 | -103.5 | 0 | 0 | 0 | 122.6 | ||||
| 173 | P | 40 | Very low | 40.2 | Very low | 108 Ų | 108 | 153.8 Ų | 153.8 | 70% | 0.701 | 80% | 0.801 | S | S | * | * | trans | -101.8 | 151.3 | -150 | 38.9 | -32.8 | 0 | 0 | 0 | 113.9 | ||||
| 174 | K | 29.3 | Very low | 39.1 | Very low | 202 Ų | 202 | 155.8 Ų | 155.8 | 88% | 0.878 | 81% | 0.81 | S | S | * | * | trans | -104.1 | 133.2 | 168.6 | -167.7 | 169.1 | -176.1 | 169.7 | 0 | 109.8 | ||||
| 175 | P | 36.9 | Very low | 38.6 | Very low | 120 Ų | 120 | 154 Ų | 154 | 78% | 0.779 | 81% | 0.811 | S | S | * | * | trans | -73.6 | 148.3 | -173.4 | -12 | 27.8 | 0 | 0 | 0 | 113.8 | ||||
| 176 | E | 35.7 | Very low | 38.3 | Very low | 192 Ų | 192 | 158 Ų | 158 | 90% | 0.897 | 82% | 0.821 | S | S | * | * | trans | -65.5 | 140.4 | 175.1 | -68.7 | 174 | 133.4 | 0 | 0 | 113.6 | ||||
| 177 | V | 34.1 | Very low | 38.1 | Very low | 139 Ų | 139 | 157.9 Ų | 157.9 | 84% | 0.842 | 83% | 0.825 | S | S | * | * | trans | -142.4 | 141.3 | 150.9 | 178.3 | 0 | 0 | 0 | 0 | 108.9 | ||||
| 178 | P | 38.8 | Very low | 38 | Very low | 115 Ų | 115 | 164.5 Ų | 164.5 | 75% | 0.747 | 83% | 0.833 | S | S | * | * | trans | -90 | 173.3 | -148.6 | -7.3 | 27.1 | 0 | 0 | 0 | 117.1 | ||||
| 179 | P | 41.8 | Very low | 38.1 | Very low | 121 Ų | 121 | 165 Ų | 165 | 79% | 0.786 | 83% | 0.831 | S | S | * | * | trans | -93.6 | 138.9 | -166.7 | 36 | -30.2 | 0 | 0 | 0 | 112.8 | ||||
| 180 | Q | 35.9 | Very low | 38 | Very low | 177 Ų | 177 | 168.5 Ų | 168.5 | 83% | 0.827 | 84% | 0.839 | S | S | * | * | trans | -136.1 | 112.6 | 161.8 | -69.4 | -165.3 | 5 | 0 | 0 | 113 | ||||
| 181 | K | 34.3 | Very low | 38.3 | Very low | 188 Ų | 188 | 161.7 Ų | 161.7 | 82% | 0.817 | 84% | 0.84 | S | S | * | * | trans | 58.6 | 97.1 | 140.1 | -65 | 175.1 | 177.8 | 176.7 | 0 | 115.9 | ||||
| 182 | R | 40.3 | Very low | 38.1 | Very low | 243 Ų | 243 | 162.2 Ų | 162.2 | 92% | 0.917 | 84% | 0.836 | S | S | * | * | 20.4 | 101.7 | 79 | -80.4 | -168.5 | -174 | -170.7 | 3.3 | 112.5 | |||||
| 183 | V | 35 | Very low | 38.1 | Very low | 130 Ų | 130 | 161.7 Ų | 161.7 | 79% | 0.788 | 83% | 0.833 | S | S | * | * | trans | -179.5 | 136.8 | 139.7 | 150.3 | 0 | 0 | 0 | 0 | 108.1 | ||||
| 184 | K | 32.8 | Very low | 38.2 | Very low | 197 Ų | 197 | 164.6 Ų | 164.6 | 86% | 0.857 | 84% | 0.841 | S | S | * | * | trans | 92.3 | 61.6 | 174.6 | -66.6 | 165.7 | -173.5 | -171.6 | 0 | 117.8 | ||||
| 185 | S | 35.7 | Very low | 38.7 | Very low | 122 Ų | 122 | 159.4 Ų | 159.4 | 85% | 0.853 | 83% | 0.827 | S | S | * | * | trans | -95.8 | 71.7 | 144.8 | 56.2 | 0 | 0 | 0 | 0 | 109.1 | ||||
| 186 | E | 42.6 | Very low | 39.1 | Very low | 185 Ų | 185 | 159.2 Ų | 159.2 | 86% | 0.864 | 83% | 0.825 | S | S | * | * | trans | -162.4 | 67.5 | 174 | -129.7 | 162.7 | -156.1 | 0 | 0 | 111.1 | ||||
| 187 | L | 40.9 | Very low | 39.2 | Very low | 172 Ų | 172 | 156.4 Ų | 156.4 | 90% | 0.901 | 82% | 0.822 | S | S | * | * | trans | -163.7 | 73.8 | 153 | -161.7 | 67.5 | 0 | 0 | 0 | 108.4 | ||||
| 188 | R | 44.3 | Very low | 39.6 | Very low | 248 Ų | 248 | 158 Ų | 158 | 94% | 0.936 | 82% | 0.818 | S | S | * | * | trans | -117.1 | 75.6 | 174.2 | -169.1 | -175.3 | -173.5 | 179 | 2.3 | 108.9 | ||||
| 189 | S | 48.1 | Very low | 40.3 | Very low | 100 Ų | 100 | 158.9 Ų | 158.9 | 70% | 0.699 | 82% | 0.815 | S | S | * | * | trans | -173.8 | 76.3 | 157.8 | 54.6 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 190 | Q | 38.4 | Very low | 40.1 | Very low | 195 Ų | 195 | 158.6 Ų | 158.6 | 91% | 0.911 | 81% | 0.812 | S | S | * | * | S | Bend | trans | -164.6 | 133 | 148 | -106.3 | 163.2 | 29.1 | 0 | 0 | 108.4 | F192 | Q190-F192 PolarHBondContact O-N 3.35Š|
| 191 | G | 45.4 | Very low | 40.6 | Very low | 87 Ų | 87 | 154 Ų | 154 | 90% | 0.897 | 80% | 0.8 | S | S | * | * | trans | -52.8 | 120.9 | -166.3 | 0 | 0 | 0 | 0 | 0 | 113.3 | ||||
| 192 | F | 34.3 | Very low | 41.3 | Very low | 181 Ų | 181 | 152.6 Ų | 152.6 | 79% | 0.794 | 80% | 0.797 | S | S | * | * | trans | -104.3 | 118.1 | 174.1 | -166.2 | -105.8 | 0 | 0 | 0 | 109 | Q190 | Q190-F192 PolarHBondContact O-N 3.35Š| ||
| 193 | Q | 34.5 | Very low | 41.7 | Very low | 173 Ų | 173 | 146.9 Ų | 146.9 | 81% | 0.808 | 79% | 0.788 | S | S | * | * | trans | -55.3 | 134.3 | 173.1 | -62.4 | 175.4 | 53.4 | 0 | 0 | 109.3 | T195 | Q193-T195 VanDerWaalsContact C-N 3.29Å; Q193-T195 PolarHBondContact O-N 3.12Å | ||
| 194 | I | 43.1 | Very low | 42.9 | Very low | 170 Ų | 170 | 142 Ų | 142 | 87% | 0.872 | 76% | 0.758 | S | S | * | * | trans | -68.5 | 92.1 | 175.1 | -57.5 | 169.6 | 0 | 0 | 0 | 107.1 | ||||
| 195 | T | 40.2 | Very low | 44.7 | Very low | 92 Ų | 92 | 138.3 Ų | 138.3 | 56% | 0.564 | 75% | 0.752 | S | S | * | * | trans | -74.3 | 136 | 158.4 | 10.6 | 0 | 0 | 0 | 0 | 107.1 | Q193 T197 | Q193-T195 VanDerWaalsContact C-N 3.29Å; Q193-T195 PolarHBondContact O-N 3.12Å; T195-T197 PolarHBondContact O-N 3.41Å; T195-T197 VanDerWaalsContact O-N 3.15Å | ||
| 196 | P | 45.8 | Very low | 46.7 | Very low | 116 Ų | 116 | 133.1 Ų | 133.1 | 75% | 0.753 | 72% | 0.715 | S | S | * | * | trans | -59.6 | 125.3 | 178.9 | 25.4 | -32.4 | 0 | 0 | 0 | 108.1 | F198 | P196-F198 VanDerWaalsContact C-N 3.32Å; P196-F198 PolarHBondContact O-N 3.13Å | ||
| 197 | T | 36 | Very low | 48.3 | Very low | 134 Ų | 134 | 127.2 Ų | 127.2 | 82% | 0.822 | 69% | 0.693 | S | S | * | * | trans | -54.4 | 98.5 | 174.5 | -54.7 | 0 | 0 | 0 | 0 | 108.5 | T195 I199 | T195-T197 PolarHBondContact O-N 3.41Å; T195-T197 VanDerWaalsContact O-N 3.15Å; T197-I199 PolarHBondContact O-N 3.29Å | ||
| 198 | F | 44.1 | Very low | 49.8 | Very low | 173 Ų | 173 | 128.2 Ų | 128.2 | 76% | 0.759 | 69% | 0.693 | S | S | * | * | trans | -64.5 | 102.6 | 169.5 | -161.5 | -97.8 | 0 | 0 | 0 | 105.6 | P196 | P196-F198 VanDerWaalsContact C-N 3.32Å; P196-F198 PolarHBondContact O-N 3.13Å | ||
| 199 | I | 51.8 | Low | 51.5 | Low | 133 Ų | 133 | 120.5 Ų | 120.5 | 68% | 0.682 | 67% | 0.667 | S | S | * | * | trans | -49.4 | 127.9 | 165.4 | -60.3 | 169.3 | 0 | 0 | 0 | 105 | T197 S201 | T197-I199 PolarHBondContact O-N 3.29Å; I199-S201 VanDerWaalsContact C-N 3.26Å; I199-S201 PolarHBondContact O-N 2.98Å | ||
| 200 | P | 39.5 | Very low | 52.9 | Low | 114 Ų | 114 | 116.7 Ų | 116.7 | 74% | 0.74 | 64% | 0.64 | S | S | * | * | trans | -63.2 | 98.8 | 176.7 | 25.9 | -31.8 | 0 | 0 | 0 | 106.7 | Q202 | P200-Q202 PolarHBondContact O-N 2.61Š| ||
| 201 | S | 45.6 | Very low | 54.6 | Low | 81 Ų | 81 | 110.6 Ų | 110.6 | 57% | 0.566 | 62% | 0.623 | S | S | * | * | trans | -58.3 | 92.7 | 161.7 | -57.3 | 0 | 0 | 0 | 0 | 104.5 | I199 V203 | I199-S201 VanDerWaalsContact C-N 3.26Å; I199-S201 PolarHBondContact O-N 2.98Å; S201-V203 PolarHBondContact O-N 2.88Å | ||
| 202 | Q | 49.4 | Very low | 55.8 | Low | 159 Ų | 159 | 113.6 Ų | 113.6 | 74% | 0.743 | 61% | 0.614 | S | S | * | * | trans | -49.3 | 113.3 | 166.5 | -167.6 | 172.4 | 24.5 | 0 | 0 | 104 | P200 V204 | P200-Q202 PolarHBondContact O-N 2.61Å; Q202-V204 WeakPolarHBondContact O-CG2 3.33Å; Q202-V204 PolarHBondContact O-N 2.95Å | ||
| 203 | V | 47.7 | Very low | 57.6 | Low | 123 Ų | 123 | 112.7 Ų | 112.7 | 75% | 0.745 | 62% | 0.617 | S | S | * | * | trans | -68.9 | 90.1 | -176.3 | 179.1 | 0 | 0 | 0 | 0 | 105.1 | S201 V205 | S201-V203 PolarHBondContact O-N 2.88Å; V203-V205 VanDerWaalsContact C-N 3.28Å; V203-V205 HydrophobicContact CG1-CG2 3.93Å; V203-V205 PolarHBondContact O-N 3.48Å | ||
| 204 | V | 61.3 | Low | 59.5 | Low | 26 Ų | 26 | 106.5 Ų | 106.5 | 16% | 0.158 | 60% | 0.596 | C | S | . | * | trans | -71.4 | 94.4 | 175.3 | -173.4 | 0 | 0 | 0 | 0 | 105.7 | Q202 L206 D245 L248 | Q202-V204 WeakPolarHBondContact O-CG2 3.33Å; Q202-V204 PolarHBondContact O-N 2.95Å; V204-L206 HydrophobicContact CB-CD1 4.3Å; V204-L206 HydrophobicContact CG1-CD1 3.6Å; V204-L206 PolarHBondContact O-N 3.49Å; V204-L206 VanDerWaalsContact O-N 3.13Å; V204-D245 HydrophobicContact CG1-CB 3.36Å; V204-L248 HydrophobicContact CG2-CD2 3.69Å; V204-L248 HydrophobicContact CG2-CG 4.17Å | ||
| 205 | V | 68.8 | Low | 61.1 | Low | 120 Ų | 120 | 107.9 Ų | 107.9 | 73% | 0.727 | 60% | 0.598 | S | S | * | * | trans | -75.6 | 100.6 | 172.4 | -177.4 | 0 | 0 | 0 | 0 | 106.4 | V203 | V203-V205 VanDerWaalsContact C-N 3.28Å; V203-V205 HydrophobicContact CG1-CG2 3.93Å; V203-V205 PolarHBondContact O-N 3.48Å | ||
| 206 | L | 78.2 | Confident | 63 | Low | 14 Ų | 14 | 104.8 Ų | 104.8 | 7% | 0.073 | 59% | 0.585 | C | S | . | * | P | Polyproline II helix | trans | -71.7 | 142.7 | 171.3 | -94.7 | 84.7 | 0 | 0 | 0 | 109.8 | V204 D245 W246 K249 | V204-L206 HydrophobicContact CB-CD1 4.3Å; V204-L206 HydrophobicContact CG1-CD1 3.6Å; V204-L206 PolarHBondContact O-N 3.49Å; V204-L206 VanDerWaalsContact O-N 3.13Å; L206-D245 HydrophobicContact CD1-CB 4.3Å; L206-W246 HydrophobicContact CD2-CB 3.59Å; L206-W246 HydrophobicContact CD2-CG 3.82Å; L206-K249 HydrophobicContact CD1-CB 3.76Å; L206-K249 HydrophobicContact CD1-CD 3.51Å; L206-K249 HydrophobicContact CD1-CG 4.26Å; L206-K249 HydrophobicContact CD2-CD 4.47Å; L206-K249 HydrophobicContact CG-CD 4.37Å |
| 207 | P | 76.4 | Confident | 65 | Low | 61 Ų | 61 | 100.5 Ų | 100.5 | 40% | 0.396 | 56% | 0.557 | S | S | . | * | P | Polyproline II helix | trans | -58.5 | 156.8 | 176.2 | 23.5 | -31.6 | 0 | 0 | 0 | 111.1 | R232 V242 | P207-R232 PolarHBondContact O-NH2 3.4Å; P207-V242 HydrophobicContact CG-CG1 3.73Å |
| 208 | E | 71.8 | Confident | 67.5 | Low | 192 Ų | 192 | 94.2 Ų | 94.2 | 90% | 0.897 | 52% | 0.518 | S | S | * | . | P | Polyproline II helix | trans | -65.3 | 142.7 | 177.8 | -169.5 | 147.3 | -167.2 | 0 | 0 | 110.8 | ||
| 209 | E | 80.3 | Confident | 69.7 | Low | 86 Ų | 86 | 92.3 Ų | 92.3 | 40% | 0.402 | 51% | 0.506 | S | S | . | . | P | Polyproline II helix | trans | -72.1 | 127.8 | -174.8 | -65.4 | -174.6 | -177.5 | 0 | 0 | 110.2 | R232 | E209-R232 HydrophobicContact CG-CG 4.15Å; E209-R232 WeakPolarHBondContact OE1-CG 3.18Å; E209-R232 IonicContact OE1-CZ 3.85Å; E209-R232 IonicContact OE1-NE 3Å; E209-R232 IonicContact OE1-NH1 2.91Å; E209-R232 PolarHBondContact OE1-NH1 2.7Å |
| 210 | P | 79.3 | Confident | 71.7 | Confident | 20 Ų | 20 | 86 Ų | 86 | 13% | 0.13 | 47% | 0.473 | C | S | . | . | P | Polyproline II helix | trans | -64.7 | 149.4 | -178.4 | 26.9 | -34.2 | 0 | 0 | 0 | 111.4 | V217 R233 L235 | P210-V217 HydrophobicContact CB-CG2 3.9Å; P210-V217 HydrophobicContact CG-CG1 4.23Å; P210-V217 HydrophobicContact CG-CG2 4.11Å; P210-R233 WeakPolarHBondContact CD-O 3.4Å; P210-R233 HydrophobicContact CG-CB 3.94Å; P210-R233 PolarHBondContact O-NE 3Å; P210-L235 HydrophobicContact CB-CD2 4.03Å; P210-L235 HydrophobicContact CB-CG 4.09Å; P210-L235 HydrophobicContact CG-CD2 4.43Å; P210-L235 HydrophobicContact CG-CG 4.21Å |
| 211 | A | 72.4 | Confident | 74.2 | Confident | 67 Ų | 67 | 81 Ų | 81 | 55% | 0.554 | 44% | 0.441 | S | S | * | . | P | Polyproline II helix | trans | -64.5 | 153.6 | 176.7 | 0 | 0 | 0 | 0 | 0 | 111.6 | D213 A214 | A211-D213 VanDerWaalsContact C-N 3.28Å; A211-D213 PolarHBondContact O-N 3.49Å; A211-A214 PolarHBondContact O-N 3.49Å |
| 212 | E | 71.3 | Confident | 76.5 | Confident | 150 Ų | 150 | 77.1 Ų | 77.1 | 70% | 0.701 | 41% | 0.414 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -66.1 | -28.1 | -173 | -166.5 | 162.1 | 179.5 | 0 | 0 | 113.6 | R233 | E212-R233 IonicContact OE2-NH1 3.02Š|
| 213 | D | 71.4 | Confident | 78.6 | Confident | 162 Ų | 162 | 75.4 Ų | 75.4 | 87% | 0.866 | 40% | 0.401 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -94.8 | 5.4 | -175 | -56.2 | -43.4 | 0 | 0 | 0 | 114.2 | A211 | A211-D213 VanDerWaalsContact C-N 3.28Å; A211-D213 PolarHBondContact O-N 3.49Å |
| 214 | A | 74.6 | Confident | 80.7 | Confident | 43 Ų | 43 | 70.1 Ų | 70.1 | 36% | 0.355 | 37% | 0.37 | S | S | . | . | S | Bend | trans | -78.3 | 133.6 | 179.7 | 0 | 0 | 0 | 0 | 0 | 111.5 | A211 G216 V217 | A211-A214 PolarHBondContact O-N 3.49Å; A214-G216 PolarHBondContact O-N 3.33Å; A214-V217 HydrophobicContact CB-CG2 3.69Å; A214-V217 VanDerWaalsContact O-CG2 3.3Å; A214-V217 WeakPolarHBondContact O-CG2 3.34Å; A214-V217 PolarHBondContact O-N 3.33Å |
| 215 | E | 76.8 | Confident | 82 | Confident | 199 Ų | 199 | 72.5 Ų | 72.5 | 93% | 0.93 | 39% | 0.386 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -63.7 | 126.1 | -179.9 | -164.4 | 170.3 | -166.6 | 0 | 0 | 110.5 | ||
| 216 | G | 80.3 | Confident | 82.7 | Confident | 28 Ų | 28 | 70.1 Ų | 70.1 | 29% | 0.289 | 37% | 0.374 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 86.1 | 18.5 | -179.4 | 0 | 0 | 0 | 0 | 0 | 115.7 | A214 K236 | A214-G216 PolarHBondContact O-N 3.33Å; G216-K236 VanDerWaalsContact O-CG 3.31Å; G216-K236 WeakPolarHBondContact O-CG 3.41Å; G216-K236 PolarHBondContact O-N 2.91Å |
| 217 | V | 87.5 | Confident | 83 | Confident | 26 Ų | 26 | 72.8 Ų | 72.8 | 16% | 0.158 | 41% | 0.405 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -77.1 | 134.8 | 170.5 | 175.1 | 0 | 0 | 0 | 0 | 111.6 | P210 A214 R233 L235 | P210-V217 HydrophobicContact CB-CG2 3.9Å; P210-V217 HydrophobicContact CG-CG1 4.23Å; P210-V217 HydrophobicContact CG-CG2 4.11Å; A214-V217 HydrophobicContact CB-CG2 3.69Å; A214-V217 VanDerWaalsContact O-CG2 3.3Å; A214-V217 WeakPolarHBondContact O-CG2 3.34Å; A214-V217 PolarHBondContact O-N 3.33Å; V217-R233 HydrophobicContact CG1-CB 3.93Å; V217-R233 HydrophobicContact CG1-CG 4.21Å; V217-L235 HydrophobicContact CG2-CD2 3.72Å |
| 218 | V | 88.9 | Confident | 83.6 | Confident | 1 Ų | 1 | 78.8 Ų | 78.8 | 1% | 0.006 | 42% | 0.42 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.9 | 141.1 | 174.2 | -179 | 0 | 0 | 0 | 0 | 109.7 | V220 R233 F234 K236 I281 T283 | V218-V220 HydrophobicContact CG1-CG2 4.4Å; V218-R233 CarbonylContact O-C 3.49Å; V218-R233 WeakPolarHBondContact O-CA 3.38Å; V218-F234 PolarHBondContact N-O 2.97Å; V218-F234 PolarHBondContact O-N 2.94Å; V218-K236 HydrophobicContact CG2-CD 4.27Å; V218-K236 HydrophobicContact CG2-CG 3.59Å; V218-I281 HydrophobicContact CB-CG2 4.35Å; V218-I281 HydrophobicContact CG1-CG2 3.5Å; V218-T283 WeakPolarHBondContact CG1-O 3.5Å |
| 219 | R | 91.1 | Very high | 84.6 | Confident | 134 Ų | 134 | 72.7 Ų | 72.7 | 51% | 0.506 | 40% | 0.396 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.7 | 119.1 | 175.9 | -168 | 178.1 | 72.4 | -160.6 | 3.7 | 108.4 | R233 H284 T285 | R219-R233 HydrophobicContact CG-CG 4.48Å; R219-H284 HydrophobicContact CB-CB 4.36Å; R219-H284 WeakPolarHBondContact CB-ND1 3.22Å; R219-H284 PolarHBondContact N-ND1 2.95Å; R219-H284 CarbonylContact O-C 3.14Å; R219-H284 VanDerWaalsContact O-CA 3.28Å; R219-H284 WeakPolarHBondContact O-CA 3.44Å; R219-T285 PolarHBondContact O-N 3.02Å; R219-T285 VanDerWaalsContact O-N 3.08Å |
| 220 | V | 92.4 | Very high | 85.1 | Confident | 0 Ų | 0 | 71 Ų | 71 | 0% | 0 | 39% | 0.388 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.9 | 130.3 | 177.1 | -177.2 | 0 | 0 | 0 | 0 | 108.7 | V218 H231 R232 F234 L243 W246 I281 T285 L287 | V218-V220 HydrophobicContact CG1-CG2 4.4Å; V220-H231 WeakPolarHBondContact O-CA 3.37Å; V220-R232 PolarHBondContact N-O 3.48Å; V220-R232 PolarHBondContact O-N 2.87Å; V220-F234 HydrophobicContact CB-CD2 3.98Å; V220-F234 HydrophobicContact CB-CE2 4.01Å; V220-F234 HydrophobicContact CG2-CD2 3.73Å; V220-F234 HydrophobicContact CG2-CE2 4.22Å; V220-L243 HydrophobicContact CG1-CD2 4.33Å; V220-W246 HydrophobicContact CB-CZ3 4.15Å; V220-W246 HydrophobicContact CG1-CZ3 3.89Å; V220-I281 HydrophobicContact CG2-CG2 3.86Å; V220-T285 WeakPolarHBondContact CA-O 3.45Å; V220-L287 HydrophobicContact CG1-CD1 3.56Å; V220-L287 HydrophobicContact CG1-CG 3.96Å |
| 221 | A | 93.6 | Very high | 85.7 | Confident | 8 Ų | 8 | 75.4 Ų | 75.4 | 7% | 0.066 | 41% | 0.407 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.5 | 117.9 | 173.8 | 0 | 0 | 0 | 0 | 0 | 109.4 | T229 I230 H231 T285 V286 L287 | A221-T229 HydrophobicContact CB-CG2 4.13Å; A221-I230 CarbonylContact C-O 3.58Å; A221-I230 WeakPolarHBondContact CA-O 2.93Å; A221-H231 VanDerWaalsContact CB-CE1 3.47Å; A221-H231 WeakPolarHBondContact CB-CE1 3.43Å; A221-H231 WeakPolarHBondContact CB-ND1 3.37Å; A221-T285 PolarHBondContact N-O 2.97Å; A221-V286 HydrophobicContact CB-CB 4.48Å; A221-V286 HydrophobicContact CB-CG1 4.34Å; A221-V286 HydrophobicContact CB-CG2 4.14Å; A221-V286 WeakPolarHBondContact O-CA 3.49Å; A221-L287 PolarHBondContact O-N 3.43Å |
| 222 | L | 93.4 | Very high | 86.6 | Confident | 0 Ų | 0 | 73 Ų | 73 | 0% | 0 | 38% | 0.384 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.2 | 122.3 | 171.7 | -70.5 | 170.7 | 0 | 0 | 0 | 109.9 | T229 I230 W246 L259 L287 V289 | L222-T229 CarbonylContact O-C 3.51Å; L222-T229 VanDerWaalsContact O-CA 3.25Å; L222-T229 WeakPolarHBondContact O-CA 3.39Å; L222-T229 WeakPolarHBondContact O-CG2 3.38Å; L222-I230 HydrophobicContact CB-CD1 4.12Å; L222-I230 HydrophobicContact CB-CG1 3.65Å; L222-I230 HydrophobicContact CD1-CD1 3.94Å; L222-I230 HydrophobicContact CD1-CG1 4.29Å; L222-I230 HydrophobicContact CG-CG1 4.49Å; L222-I230 PolarHBondContact N-O 2.9Å; L222-I230 PolarHBondContact O-N 3.4Å; L222-W246 HydrophobicContact CB-CH2 4.11Å; L222-W246 HydrophobicContact CB-CZ3 4.34Å; L222-W246 HydrophobicContact CD1-CD2 3.65Å; L222-W246 HydrophobicContact CD1-CE3 3.27Å; L222-W246 HydrophobicContact CD1-CH2 3.56Å; L222-W246 HydrophobicContact CD1-CZ2 3.92Å; L222-W246 HydrophobicContact CD1-CZ3 3.24Å; L222-W246 HydrophobicContact CD2-CZ3 4.34Å; L222-W246 HydrophobicContact CG-CE3 3.89Å; L222-W246 HydrophobicContact CG-CH2 3.57Å; L222-W246 HydrophobicContact CG-CZ2 4.35Å; L222-W246 HydrophobicContact CG-CZ3 3.32Å; L222-L259 HydrophobicContact CD2-CD1 4.31Å; L222-L259 HydrophobicContact CD2-CD2 3.36Å; L222-L259 HydrophobicContact CD2-CG 4.45Å; L222-L287 CarbonylContact C-O 3.49Å; L222-L287 WeakPolarHBondContact CA-O 3.28Å; L222-L287 HydrophobicContact CD2-CB 3.84Å; L222-L287 HydrophobicContact CD2-CD1 4.41Å; L222-V289 HydrophobicContact CB-CG2 4.3Å; L222-V289 HydrophobicContact CD2-CG2 3.89Å |
| 223 | R | 93.3 | Very high | 87.6 | Confident | 124 Ų | 124 | 69.6 Ų | 69.6 | 47% | 0.468 | 36% | 0.364 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.6 | 111.1 | 168.1 | -69.1 | -178.2 | 173.4 | 175 | 2.8 | 108.8 | T229 V286 L287 N288 V289 | R223-T229 HydrophobicContact CG-CG2 4.24Å; R223-V286 HydrophobicContact CG-CG1 3.91Å; R223-L287 PolarHBondContact N-O 3.43Å; R223-N288 VanDerWaalsContact CD-OD1 3.31Å; R223-N288 WeakPolarHBondContact CD-OD1 3.46Å; R223-V289 PolarHBondContact O-N 2.63Å |
| 224 | C | 91.1 | Very high | 88.5 | Confident | 12 Ų | 12 | 62 Ų | 62 | 8% | 0.081 | 32% | 0.324 | C | S | . | . | trans | -87.3 | 148.7 | -179.2 | -58.1 | 0 | 0 | 0 | 0 | 110.7 | S226 G227 R228 Y252 | C224-S226 WeakPolarHBondContact CB-OG 3.07Å; C224-S226 PolarHBondContact O-N 3.3Å; C224-G227 PolarHBondContact O-N 3.44Å; C224-R228 VanDerWaalsContact CB-O 3.32Å; C224-R228 WeakPolarHBondContact CB-O 3.2Å; C224-R228 PolarHBondContact N-O 2.84Å; C224-Y252 HydrophobicContact CB-CE2 3.74Å; C224-Y252 WeakPolarHBondContact CB-OH 3.2Å | ||
| 225 | P | 89.3 | Confident | 89.2 | Confident | 76 Ų | 76 | 62.4 Ų | 62.4 | 49% | 0.494 | 32% | 0.32 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -57.5 | -21.8 | 173.9 | -25 | 32.3 | 0 | 0 | 0 | 113.6 | G227 Y252 Y257 V289 | P225-G227 PolarHBondContact O-N 2.81Å; P225-Y252 HydrophobicContact CG-CE1 4.29Å; P225-Y257 HydrophobicContact CG-CD1 4.47Å; P225-Y257 HydrophobicContact CG-CE1 4.01Å; P225-V289 HydrophobicContact CG-CG1 4.44Å; P225-V289 WeakPolarHBondContact CG-O 3.47Å |
| 226 | S | 83.6 | Confident | 89.9 | Confident | 70 Ų | 70 | 57.1 Ų | 57.1 | 49% | 0.49 | 29% | 0.294 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -69.7 | -1.5 | 174.3 | 57.7 | 0 | 0 | 0 | 0 | 114.1 | C224 R228 Y252 | C224-S226 WeakPolarHBondContact CB-OG 3.07Å; C224-S226 PolarHBondContact O-N 3.3Å; S226-R228 PolarHBondContact O-N 3.34Å; S226-Y252 WeakPolarHBondContact CB-OH 3.36Å; S226-Y252 PolarHBondContact OG-OH 3.37Å |
| 227 | G | 85.4 | Confident | 90.2 | Very high | 69 Ų | 69 | 60.4 Ų | 60.4 | 71% | 0.711 | 31% | 0.312 | S | S | * | . | S | Bend | trans | 81.1 | -3.4 | -176.2 | 0 | 0 | 0 | 0 | 0 | 114 | C224 P225 | C224-G227 PolarHBondContact O-N 3.44Å; P225-G227 PolarHBondContact O-N 2.81Å |
| 228 | R | 89.1 | Confident | 90.2 | Very high | 188 Ų | 188 | 61.1 Ų | 61.1 | 71% | 0.709 | 32% | 0.315 | S | S | * | . | trans | -82.9 | 142.1 | 175.4 | -62.1 | -177.2 | -176.3 | -178.4 | 1.2 | 110.2 | C224 S226 | C224-R228 VanDerWaalsContact CB-O 3.32Å; C224-R228 WeakPolarHBondContact CB-O 3.2Å; C224-R228 PolarHBondContact N-O 2.84Å; S226-R228 PolarHBondContact O-N 3.34Å | ||
| 229 | T | 91.9 | Very high | 90.3 | Very high | 64 Ų | 64 | 62.6 Ų | 62.6 | 39% | 0.393 | 33% | 0.326 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.1 | 125.5 | 169.2 | -55.2 | 0 | 0 | 0 | 0 | 108.7 | A221 L222 R223 | A221-T229 HydrophobicContact CB-CG2 4.13Å; L222-T229 CarbonylContact O-C 3.51Å; L222-T229 VanDerWaalsContact O-CA 3.25Å; L222-T229 WeakPolarHBondContact O-CA 3.39Å; L222-T229 WeakPolarHBondContact O-CG2 3.38Å; R223-T229 HydrophobicContact CG-CG2 4.24Å |
| 230 | I | 91.4 | Very high | 90.3 | Very high | 49 Ų | 49 | 56.2 Ų | 56.2 | 25% | 0.251 | 30% | 0.302 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.2 | 140.7 | 177.4 | 56.6 | 177.2 | 0 | 0 | 0 | 109.1 | A221 L222 W246 T250 | A221-I230 CarbonylContact C-O 3.58Å; A221-I230 WeakPolarHBondContact CA-O 2.93Å; L222-I230 HydrophobicContact CB-CD1 4.12Å; L222-I230 HydrophobicContact CB-CG1 3.65Å; L222-I230 HydrophobicContact CD1-CD1 3.94Å; L222-I230 HydrophobicContact CD1-CG1 4.29Å; L222-I230 HydrophobicContact CG-CG1 4.49Å; L222-I230 PolarHBondContact N-O 2.9Å; L222-I230 PolarHBondContact O-N 3.4Å; I230-W246 HydrophobicContact CB-CZ2 4.21Å; I230-W246 HydrophobicContact CD1-CZ2 3.77Å; I230-W246 HydrophobicContact CG1-CH2 4.2Å; I230-W246 HydrophobicContact CG1-CZ2 3.7Å; I230-T250 HydrophobicContact CD1-CG2 3.13Å |
| 231 | H | 91.9 | Very high | 90.2 | Very high | 113 Ų | 113 | 57.3 Ų | 57.3 | 52% | 0.523 | 31% | 0.309 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.4 | 139.9 | -176.6 | -60 | -75.3 | 0 | 0 | 0 | 109.5 | V220 A221 | V220-H231 WeakPolarHBondContact O-CA 3.37Å; A221-H231 VanDerWaalsContact CB-CE1 3.47Å; A221-H231 WeakPolarHBondContact CB-CE1 3.43Å; A221-H231 WeakPolarHBondContact CB-ND1 3.37Å |
| 232 | R | 91.1 | Very high | 90.1 | Very high | 17 Ų | 17 | 57.8 Ų | 57.8 | 6% | 0.064 | 31% | 0.311 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -151.1 | 147.3 | 174.8 | -176.8 | 165.9 | 162.6 | 120 | 3.9 | 110.8 | P207 E209 V220 F234 W246 | P207-R232 PolarHBondContact O-NH2 3.4Å; E209-R232 HydrophobicContact CG-CG 4.15Å; E209-R232 WeakPolarHBondContact OE1-CG 3.18Å; E209-R232 IonicContact OE1-CZ 3.85Å; E209-R232 IonicContact OE1-NE 3Å; E209-R232 IonicContact OE1-NH1 2.91Å; E209-R232 PolarHBondContact OE1-NH1 2.7Å; V220-R232 PolarHBondContact N-O 3.48Å; V220-R232 PolarHBondContact O-N 2.87Å; R232-F234 HydrophobicContact CB-CE2 3.77Å; R232-F234 HydrophobicContact CB-CZ 4.03Å; R232-F234 VanDerWaalsContact CD-CZ 3.46Å; R232-F234 HydrophobicContact CG-CD2 4.42Å; R232-F234 HydrophobicContact CG-CE1 4.21Å; R232-F234 HydrophobicContact CG-CE2 3.71Å; R232-F234 HydrophobicContact CG-CZ 3.6Å; R232-W246 HydrophobicContact CB-CD2 4.25Å; R232-W246 HydrophobicContact CB-CE3 4.45Å; R232-W246 HydrophobicContact CB-CH2 3.62Å; R232-W246 HydrophobicContact CB-CZ2 3.34Å; R232-W246 HydrophobicContact CB-CZ3 4.14Å; R232-W246 HydrophobicContact CG-CZ2 4.46Å |
| 233 | R | 91.4 | Very high | 89.9 | Confident | 78 Ų | 78 | 57.8 Ų | 57.8 | 29% | 0.294 | 31% | 0.311 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.8 | 144.2 | 177.1 | -63.8 | -178.1 | -66 | -123.3 | -7.8 | 110.4 | P210 E212 V217 V218 R219 | P210-R233 WeakPolarHBondContact CD-O 3.4Å; P210-R233 HydrophobicContact CG-CB 3.94Å; P210-R233 PolarHBondContact O-NE 3Å; E212-R233 IonicContact OE2-NH1 3.02Å; V217-R233 HydrophobicContact CG1-CB 3.93Å; V217-R233 HydrophobicContact CG1-CG 4.21Å; V218-R233 CarbonylContact O-C 3.49Å; V218-R233 WeakPolarHBondContact O-CA 3.38Å; R219-R233 HydrophobicContact CG-CG 4.48Å |
| 234 | F | 90.6 | Very high | 89.8 | Confident | 2 Ų | 2 | 54.4 Ų | 54.4 | 1% | 0.009 | 30% | 0.302 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -141.6 | 155.3 | 178.4 | -62 | -80.6 | 0 | 0 | 0 | 109.4 | V218 V220 R232 V242 L243 W246 M276 | V218-F234 PolarHBondContact N-O 2.97Å; V218-F234 PolarHBondContact O-N 2.94Å; V220-F234 HydrophobicContact CB-CD2 3.98Å; V220-F234 HydrophobicContact CB-CE2 4.01Å; V220-F234 HydrophobicContact CG2-CD2 3.73Å; V220-F234 HydrophobicContact CG2-CE2 4.22Å; R232-F234 HydrophobicContact CB-CE2 3.77Å; R232-F234 HydrophobicContact CB-CZ 4.03Å; R232-F234 VanDerWaalsContact CD-CZ 3.46Å; R232-F234 HydrophobicContact CG-CD2 4.42Å; R232-F234 HydrophobicContact CG-CE1 4.21Å; R232-F234 HydrophobicContact CG-CE2 3.71Å; R232-F234 HydrophobicContact CG-CZ 3.6Å; F234-V242 HydrophobicContact CD1-CG1 4.25Å; F234-V242 HydrophobicContact CE1-CG1 3.77Å; F234-L243 HydrophobicContact CD2-CD2 4.29Å; F234-L243 HydrophobicContact CE2-CD2 3.82Å; F234-L243 HydrophobicContact CZ-CD2 3.97Å; F234-W246 HydrophobicContact CE2-CD2 4.34Å; F234-W246 AromaticContact CE2-CE3 3.68Å; F234-W246 HydrophobicContact CE2-CE3 3.68Å; F234-W246 AromaticContact CE2-CZ3 3.76Å; F234-W246 HydrophobicContact CE2-CZ3 3.76Å; F234-W246 HydrophobicContact CZ-CB 4.43Å; F234-W246 AromaticContact CZ-CD2 3.89Å; F234-W246 HydrophobicContact CZ-CD2 3.89Å; F234-W246 AromaticContact CZ-CE3 3.57Å; F234-W246 HydrophobicContact CZ-CE3 3.57Å; F234-W246 HydrophobicContact CZ-CG 4.25Å; F234-W246 HydrophobicContact CZ-CZ3 4.14Å; F234-M276 HydrophobicContact CB-CG 4.25Å; F234-M276 HydrophobicContact CB-SD 4.26Å |
| 235 | L | 90.1 | Very high | 89.8 | Confident | 52 Ų | 52 | 56.9 Ų | 56.9 | 27% | 0.272 | 31% | 0.314 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.2 | 148.9 | 171.6 | -63.3 | 163.3 | 0 | 0 | 0 | 110 | P210 V217 S237 D238 M276 | P210-L235 HydrophobicContact CB-CD2 4.03Å; P210-L235 HydrophobicContact CB-CG 4.09Å; P210-L235 HydrophobicContact CG-CD2 4.43Å; P210-L235 HydrophobicContact CG-CG 4.21Å; V217-L235 HydrophobicContact CG2-CD2 3.72Å; L235-S237 PolarHBondContact O-N 3.38Å; L235-D238 WeakPolarHBondContact CB-OD2 3.21Å; L235-D238 PolarHBondContact N-OD2 2.81Å; L235-D238 WeakPolarHBondContact O-CB 3.25Å; L235-D238 PolarHBondContact O-N 3.18Å; L235-M276 VanDerWaalsContact O-CG 3.25Å; L235-M276 WeakPolarHBondContact O-CG 3.45Å |
| 236 | K | 90.1 | Very high | 89.9 | Confident | 89 Ų | 89 | 53.9 Ų | 53.9 | 39% | 0.387 | 29% | 0.293 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -59 | -29.9 | 174.6 | -74.6 | 173.8 | -173.7 | -169.4 | 0 | 113.4 | G216 V218 D238 M276 G277 L282 | G216-K236 VanDerWaalsContact O-CG 3.31Å; G216-K236 WeakPolarHBondContact O-CG 3.41Å; G216-K236 PolarHBondContact O-N 2.91Å; V218-K236 HydrophobicContact CG2-CD 4.27Å; V218-K236 HydrophobicContact CG2-CG 3.59Å; K236-D238 VanDerWaalsContact C-N 3.33Å; K236-M276 PolarHBondContact O-N 3.37Å; K236-G277 PolarHBondContact O-N 2.86Å; K236-L282 WeakPolarHBondContact CE-O 3.48Å; K236-L282 PolarHBondContact NZ-O 2.97Å; K236-L282 VanDerWaalsContact NZ-O 3.08Å |
| 237 | S | 88.1 | Confident | 90.2 | Very high | 97 Ų | 97 | 50.6 Ų | 50.6 | 68% | 0.678 | 27% | 0.27 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -79.3 | -12.6 | 177.6 | 53.6 | 0 | 0 | 0 | 0 | 113.8 | L235 | L235-S237 PolarHBondContact O-N 3.38Š|
| 238 | D | 87.4 | Confident | 90.4 | Very high | 40 Ų | 40 | 49.9 Ų | 49.9 | 21% | 0.214 | 25% | 0.25 | C | S | . | . | S | Bend | trans | -69.7 | 151.2 | -178.2 | -69.6 | -19.9 | 0 | 0 | 0 | 111 | L235 K236 S275 M276 | L235-D238 WeakPolarHBondContact CB-OD2 3.21Å; L235-D238 PolarHBondContact N-OD2 2.81Å; L235-D238 WeakPolarHBondContact O-CB 3.25Å; L235-D238 PolarHBondContact O-N 3.18Å; K236-D238 VanDerWaalsContact C-N 3.33Å; D238-S275 CarbonylContact O-C 3.54Å; D238-S275 WeakPolarHBondContact O-CA 3.36Å; D238-M276 HydrophobicContact CB-CG 4.27Å; D238-M276 PolarHBondContact O-N 2.9Å |
| 239 | S | 90.9 | Very high | 90.3 | Very high | 33 Ų | 33 | 47.3 Ų | 47.3 | 23% | 0.231 | 24% | 0.244 | C | C | . | . | B | Isolated β-bridge | trans | -69.2 | 140.1 | 177.5 | -178 | 0 | 0 | 0 | 0 | 111.8 | S241 V242 K272 | S239-S241 PolarHBondContact O-N 3.27Å; S239-S241 PolarHBondContact OG-N 2.88Å; S239-S241 PolarHBondContact OG-OG 2.95Å; S239-V242 WeakPolarHBondContact O-CB 3.3Å; S239-V242 WeakPolarHBondContact O-CG2 3.24Å; S239-V242 PolarHBondContact O-N 2.72Å; S239-K272 WeakPolarHBondContact OG-CA 3.47Å; S239-K272 PolarHBondContact OG-O 2.75Å |
| 240 | S | 90.8 | Very high | 90.1 | Very high | 0 Ų | 0 | 46.5 Ų | 46.5 | 0% | 0 | 24% | 0.239 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -64.2 | -19.9 | 175.6 | 66.1 | 0 | 0 | 0 | 0 | 115.5 | V242 L243 I270 G271 I274 | S240-V242 PolarHBondContact O-N 3.37Å; S240-L243 WeakPolarHBondContact O-CB 3.27Å; S240-L243 PolarHBondContact O-N 3.15Å; S240-L243 VanDerWaalsContact O-N 3.13Å; S240-I270 VanDerWaalsContact C-CG2 3.45Å; S240-I270 WeakPolarHBondContact O-CG2 3.18Å; S240-G271 PolarHBondContact OG-N 3.06Å; S240-G271 PolarHBondContact OG-O 3.01Å; S240-I274 WeakPolarHBondContact CB-O 3.45Å; S240-I274 PolarHBondContact N-O 3.25Å; S240-I274 PolarHBondContact OG-O 3.29Å |
| 241 | S | 90.3 | Very high | 89.9 | Confident | 22 Ų | 22 | 47.3 Ų | 47.3 | 15% | 0.154 | 26% | 0.259 | C | S | . | . | H | α-helix | trans | -60.3 | -28.3 | 173.6 | 67 | 0 | 0 | 0 | 0 | 113.4 | S239 L243 L244 D245 | S239-S241 PolarHBondContact O-N 3.27Å; S239-S241 PolarHBondContact OG-N 2.88Å; S239-S241 PolarHBondContact OG-OG 2.95Å; S241-L243 PolarHBondContact O-N 3.16Å; S241-L243 VanDerWaalsContact O-N 3.15Å; S241-L244 WeakPolarHBondContact O-CB 3.29Å; S241-L244 PolarHBondContact O-N 2.98Å; S241-D245 PolarHBondContact O-N 3.38Å |
| 242 | V | 90.4 | Very high | 89.8 | Confident | 19 Ų | 19 | 43.5 Ų | 43.5 | 12% | 0.115 | 24% | 0.241 | C | C | . | . | H | α-helix | trans | -61.8 | -24.7 | 179.9 | -175.6 | 0 | 0 | 0 | 0 | 111.5 | P207 F234 S239 S240 D245 W246 | P207-V242 HydrophobicContact CG-CG1 3.73Å; F234-V242 HydrophobicContact CD1-CG1 4.25Å; F234-V242 HydrophobicContact CE1-CG1 3.77Å; S239-V242 WeakPolarHBondContact O-CB 3.3Å; S239-V242 WeakPolarHBondContact O-CG2 3.24Å; S239-V242 PolarHBondContact O-N 2.72Å; S240-V242 PolarHBondContact O-N 3.37Å; V242-D245 PolarHBondContact O-N 2.93Å; V242-W246 WeakPolarHBondContact O-CB 3.5Å; V242-W246 PolarHBondContact O-N 3.45Å |
| 243 | L | 90.5 | Very high | 89.7 | Confident | 0 Ų | 0 | 47.6 Ų | 47.6 | 0% | 0 | 26% | 0.26 | C | S | . | . | H | α-helix | trans | -69.1 | -34.6 | 173.7 | -66.8 | 175.3 | 0 | 0 | 0 | 112.6 | V220 F234 S240 S241 W246 L247 L259 M276 I281 L287 | V220-L243 HydrophobicContact CG1-CD2 4.33Å; F234-L243 HydrophobicContact CD2-CD2 4.29Å; F234-L243 HydrophobicContact CE2-CD2 3.82Å; F234-L243 HydrophobicContact CZ-CD2 3.97Å; S240-L243 WeakPolarHBondContact O-CB 3.27Å; S240-L243 PolarHBondContact O-N 3.15Å; S240-L243 VanDerWaalsContact O-N 3.13Å; S241-L243 PolarHBondContact O-N 3.16Å; S241-L243 VanDerWaalsContact O-N 3.15Å; L243-W246 HydrophobicContact CD2-CE3 4.02Å; L243-W246 HydrophobicContact CD2-CZ3 4.43Å; L243-W246 PolarHBondContact O-N 3.46Å; L243-L247 WeakPolarHBondContact O-CB 3.47Å; L243-L247 PolarHBondContact O-N 2.92Å; L243-L259 HydrophobicContact CB-CD1 3.76Å; L243-L259 HydrophobicContact CD1-CD1 4.36Å; L243-M276 HydrophobicContact CD1-CE 3.61Å; L243-M276 HydrophobicContact CD1-SD 4.02Å; L243-M276 HydrophobicContact CD2-CE 4.38Å; L243-M276 HydrophobicContact CD2-SD 4.33Å; L243-M276 HydrophobicContact CG-CE 3.62Å; L243-M276 HydrophobicContact CG-SD 4.15Å; L243-I281 HydrophobicContact CD1-CD1 3.55Å; L243-L287 HydrophobicContact CD1-CD1 4.28Å |
| 244 | L | 90.4 | Very high | 89.5 | Confident | 53 Ų | 53 | 45.9 Ų | 45.9 | 28% | 0.277 | 26% | 0.259 | S | S | . | . | H | α-helix | trans | -71.3 | -39.6 | 175.6 | -59.5 | 176.1 | 0 | 0 | 0 | 110.7 | S241 W246 L247 L248 P254 I270 | S241-L244 WeakPolarHBondContact O-CB 3.29Å; S241-L244 PolarHBondContact O-N 2.98Å; L244-W246 VanDerWaalsContact C-N 3.31Å; L244-L247 WeakPolarHBondContact O-CB 3.3Å; L244-L247 PolarHBondContact O-N 3.4Å; L244-L248 WeakPolarHBondContact O-CB 3.39Å; L244-L248 PolarHBondContact O-N 3.45Å; L244-P254 HydrophobicContact CD2-CB 3.98Å; L244-I270 HydrophobicContact CD1-CB 4.37Å; L244-I270 HydrophobicContact CD1-CG2 3.67Å; L244-I270 HydrophobicContact CD2-CD1 3.63Å; L244-I270 HydrophobicContact CD2-CG2 4.33Å; L244-I270 HydrophobicContact CG-CB 4.48Å; L244-I270 HydrophobicContact CG-CD1 4.19Å; L244-I270 HydrophobicContact CG-CG2 3.74Å |
| 245 | D | 90.8 | Very high | 89.3 | Confident | 63 Ų | 63 | 49 Ų | 49 | 34% | 0.337 | 29% | 0.285 | S | S | . | . | H | α-helix | trans | -61 | -42.8 | 173.4 | -72.9 | -21.8 | 0 | 0 | 0 | 110.8 | V204 L206 S241 V242 L248 K249 | V204-D245 HydrophobicContact CG1-CB 3.36Å; L206-D245 HydrophobicContact CD1-CB 4.3Å; S241-D245 PolarHBondContact O-N 3.38Å; V242-D245 PolarHBondContact O-N 2.93Å; D245-L248 PolarHBondContact O-N 2.96Å; D245-K249 PolarHBondContact O-N 2.92Å |
| 246 | W | 90.8 | Very high | 89.2 | Confident | 14 Ų | 14 | 50.4 Ų | 50.4 | 5% | 0.053 | 30% | 0.296 | C | S | . | . | H | α-helix | trans | -63.1 | -45 | 173.5 | -171.6 | 31.5 | 0 | 0 | 0 | 112.7 | L206 V220 L222 I230 R232 F234 V242 L243 L244 L248 K249 T250 | L206-W246 HydrophobicContact CD2-CB 3.59Å; L206-W246 HydrophobicContact CD2-CG 3.82Å; V220-W246 HydrophobicContact CB-CZ3 4.15Å; V220-W246 HydrophobicContact CG1-CZ3 3.89Å; L222-W246 HydrophobicContact CB-CH2 4.11Å; L222-W246 HydrophobicContact CB-CZ3 4.34Å; L222-W246 HydrophobicContact CD1-CD2 3.65Å; L222-W246 HydrophobicContact CD1-CE3 3.27Å; L222-W246 HydrophobicContact CD1-CH2 3.56Å; L222-W246 HydrophobicContact CD1-CZ2 3.92Å; L222-W246 HydrophobicContact CD1-CZ3 3.24Å; L222-W246 HydrophobicContact CD2-CZ3 4.34Å; L222-W246 HydrophobicContact CG-CE3 3.89Å; L222-W246 HydrophobicContact CG-CH2 3.57Å; L222-W246 HydrophobicContact CG-CZ2 4.35Å; L222-W246 HydrophobicContact CG-CZ3 3.32Å; I230-W246 HydrophobicContact CB-CZ2 4.21Å; I230-W246 HydrophobicContact CD1-CZ2 3.77Å; I230-W246 HydrophobicContact CG1-CH2 4.2Å; I230-W246 HydrophobicContact CG1-CZ2 3.7Å; R232-W246 HydrophobicContact CB-CD2 4.25Å; R232-W246 HydrophobicContact CB-CE3 4.45Å; R232-W246 HydrophobicContact CB-CH2 3.62Å; R232-W246 HydrophobicContact CB-CZ2 3.34Å; R232-W246 HydrophobicContact CB-CZ3 4.14Å; R232-W246 HydrophobicContact CG-CZ2 4.46Å; F234-W246 HydrophobicContact CE2-CD2 4.34Å; F234-W246 AromaticContact CE2-CE3 3.68Å; F234-W246 HydrophobicContact CE2-CE3 3.68Å; F234-W246 AromaticContact CE2-CZ3 3.76Å; F234-W246 HydrophobicContact CE2-CZ3 3.76Å; F234-W246 HydrophobicContact CZ-CB 4.43Å; F234-W246 AromaticContact CZ-CD2 3.89Å; F234-W246 HydrophobicContact CZ-CD2 3.89Å; F234-W246 AromaticContact CZ-CE3 3.57Å; F234-W246 HydrophobicContact CZ-CE3 3.57Å; F234-W246 HydrophobicContact CZ-CG 4.25Å; F234-W246 HydrophobicContact CZ-CZ3 4.14Å; V242-W246 WeakPolarHBondContact O-CB 3.5Å; V242-W246 PolarHBondContact O-N 3.45Å; L243-W246 HydrophobicContact CD2-CE3 4.02Å; L243-W246 HydrophobicContact CD2-CZ3 4.43Å; L243-W246 PolarHBondContact O-N 3.46Å; L244-W246 VanDerWaalsContact C-N 3.31Å; W246-L248 VanDerWaalsContact C-N 3.29Å; W246-L248 PolarHBondContact O-N 2.98Å; W246-K249 PolarHBondContact O-N 3.48Å; W246-T250 WeakPolarHBondContact O-CG2 3.3Å; W246-T250 PolarHBondContact O-N 2.96Å; W246-T250 PolarHBondContact O-OG1 3.48Å |
| 247 | L | 89.9 | Confident | 89.2 | Confident | 0 Ų | 0 | 49.6 Ų | 49.6 | 0% | 0 | 29% | 0.291 | C | S | . | . | H | α-helix | trans | -57.1 | -45.9 | 175.6 | -169.2 | 64.5 | 0 | 0 | 0 | 110.6 | L243 L244 K249 T250 G251 Y252 L259 V289 | L243-L247 WeakPolarHBondContact O-CB 3.47Å; L243-L247 PolarHBondContact O-N 2.92Å; L244-L247 WeakPolarHBondContact O-CB 3.3Å; L244-L247 PolarHBondContact O-N 3.4Å; L247-K249 PolarHBondContact O-N 3.33Å; L247-T250 WeakPolarHBondContact CA-OG1 3.48Å; L247-T250 PolarHBondContact O-N 3.35Å; L247-T250 VanDerWaalsContact O-N 3.13Å; L247-T250 PolarHBondContact O-OG1 3.4Å; L247-G251 PolarHBondContact O-N 3.34Å; L247-Y252 CarbonylContact C-O 3.56Å; L247-Y252 HydrophobicContact CD1-CD2 4.33Å; L247-Y252 HydrophobicContact CD1-CG 4.22Å; L247-Y252 WeakPolarHBondContact CG-O 3.23Å; L247-Y252 PolarHBondContact O-N 3.08Å; L247-Y252 VanDerWaalsContact O-O 3.05Å; L247-L259 HydrophobicContact CD1-CD2 3.97Å; L247-L259 HydrophobicContact CD2-CD2 4.16Å; L247-L259 HydrophobicContact CD2-CG 4.34Å; L247-V289 HydrophobicContact CD1-CB 4.41Å; L247-V289 HydrophobicContact CD1-CG1 3.86Å; L247-V289 HydrophobicContact CD1-CG2 3.62Å |
| 248 | L | 89.6 | Confident | 89.4 | Confident | 55 Ų | 55 | 46.7 Ų | 46.7 | 29% | 0.288 | 27% | 0.269 | S | S | . | . | H | α-helix | trans | -63.2 | -43.5 | 177.9 | -173.7 | 57.3 | 0 | 0 | 0 | 112.1 | V204 L244 D245 W246 T250 G251 Y252 | V204-L248 HydrophobicContact CG2-CD2 3.69Å; V204-L248 HydrophobicContact CG2-CG 4.17Å; L244-L248 WeakPolarHBondContact O-CB 3.39Å; L244-L248 PolarHBondContact O-N 3.45Å; D245-L248 PolarHBondContact O-N 2.96Å; W246-L248 VanDerWaalsContact C-N 3.29Å; W246-L248 PolarHBondContact O-N 2.98Å; L248-T250 PolarHBondContact O-N 3.23Å; L248-G251 PolarHBondContact O-N 2.89Å; L248-Y252 WeakPolarHBondContact CA-O 3.32Å; L248-Y252 PolarHBondContact N-O 2.92Å |
| 249 | K | 88.5 | Confident | 89.7 | Confident | 134 Ų | 134 | 44.9 Ų | 44.9 | 58% | 0.583 | 26% | 0.259 | S | S | * | . | H | α-helix | trans | -61.8 | -29.5 | 175.2 | -176.1 | 170.1 | -177.6 | 174.2 | 0 | 112.7 | L206 D245 W246 L247 G251 | L206-K249 HydrophobicContact CD1-CB 3.76Å; L206-K249 HydrophobicContact CD1-CD 3.51Å; L206-K249 HydrophobicContact CD1-CG 4.26Å; L206-K249 HydrophobicContact CD2-CD 4.47Å; L206-K249 HydrophobicContact CG-CD 4.37Å; D245-K249 PolarHBondContact O-N 2.92Å; W246-K249 PolarHBondContact O-N 3.48Å; L247-K249 PolarHBondContact O-N 3.33Å; K249-G251 VanDerWaalsContact C-N 3.25Å; K249-G251 PolarHBondContact O-N 2.93Å |
| 250 | T | 86.7 | Confident | 89.7 | Confident | 46 Ų | 46 | 43.6 Ų | 43.6 | 28% | 0.282 | 25% | 0.251 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -83 | -3.4 | 178.5 | 65.3 | 0 | 0 | 0 | 0 | 113.3 | I230 W246 L247 L248 | I230-T250 HydrophobicContact CD1-CG2 3.13Å; W246-T250 WeakPolarHBondContact O-CG2 3.3Å; W246-T250 PolarHBondContact O-N 2.96Å; W246-T250 PolarHBondContact O-OG1 3.48Å; L247-T250 WeakPolarHBondContact CA-OG1 3.48Å; L247-T250 PolarHBondContact O-N 3.35Å; L247-T250 VanDerWaalsContact O-N 3.13Å; L247-T250 PolarHBondContact O-OG1 3.4Å; L248-T250 PolarHBondContact O-N 3.23Å |
| 251 | G | 87.4 | Confident | 89.8 | Confident | 66 Ų | 66 | 45.1 Ų | 45.1 | 68% | 0.68 | 26% | 0.26 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 96.7 | 6.9 | 176.8 | 0 | 0 | 0 | 0 | 0 | 114.5 | L247 L248 K249 | L247-G251 PolarHBondContact O-N 3.34Å; L248-G251 PolarHBondContact O-N 2.89Å; K249-G251 VanDerWaalsContact C-N 3.25Å; K249-G251 PolarHBondContact O-N 2.93Å |
| 252 | Y | 89.1 | Confident | 89.7 | Confident | 34 Ų | 34 | 46.7 Ų | 46.7 | 13% | 0.133 | 27% | 0.268 | C | S | . | . | trans | -104.7 | 119.4 | 178.2 | -64.5 | -77 | 0 | 0 | 0 | 109.6 | C224 P225 S226 L247 L248 Y257 V289 | C224-Y252 HydrophobicContact CB-CE2 3.74Å; C224-Y252 WeakPolarHBondContact CB-OH 3.2Å; P225-Y252 HydrophobicContact CG-CE1 4.29Å; S226-Y252 WeakPolarHBondContact CB-OH 3.36Å; S226-Y252 PolarHBondContact OG-OH 3.37Å; L247-Y252 CarbonylContact C-O 3.56Å; L247-Y252 HydrophobicContact CD1-CD2 4.33Å; L247-Y252 HydrophobicContact CD1-CG 4.22Å; L247-Y252 WeakPolarHBondContact CG-O 3.23Å; L247-Y252 PolarHBondContact O-N 3.08Å; L247-Y252 VanDerWaalsContact O-O 3.05Å; L248-Y252 WeakPolarHBondContact CA-O 3.32Å; L248-Y252 PolarHBondContact N-O 2.92Å; Y252-Y257 HydrophobicContact CD1-CD1 4.29Å; Y252-Y257 AromaticContact CD1-CD2 3.88Å; Y252-Y257 HydrophobicContact CD1-CD2 3.88Å; Y252-Y257 HydrophobicContact CD1-CE1 4.16Å; Y252-Y257 AromaticContact CD1-CE2 3.75Å; Y252-Y257 HydrophobicContact CD1-CE2 3.75Å; Y252-Y257 HydrophobicContact CD1-CG 4.15Å; Y252-Y257 AromaticContact CD1-CZ 3.89Å; Y252-Y257 HydrophobicContact CG-CD2 4.46Å; Y252-V289 HydrophobicContact CD1-CG1 4.18Å; Y252-V289 HydrophobicContact CG-CG1 4.14Å | ||
| 253 | H | 89.3 | Confident | 89.5 | Confident | 103 Ų | 103 | 56.1 Ų | 56.1 | 48% | 0.477 | 30% | 0.304 | S | S | . | . | trans | -85.9 | 131.1 | -177.4 | -166.8 | -83.8 | 0 | 0 | 0 | 111.2 | A255 V256 Y257 | H253-A255 WeakPolarHBondContact ND1-CB 3.38Å; H253-A255 PolarHBondContact ND1-N 3.37Å; H253-A255 VanDerWaalsContact ND1-N 3.13Å; H253-A255 PolarHBondContact O-N 3.41Å; H253-A255 VanDerWaalsContact O-N 3.11Å; H253-V256 PolarHBondContact O-N 2.96Å; H253-Y257 PolarHBondContact O-N 3.48Å | ||
| 254 | P | 87.1 | Confident | 89.5 | Confident | 41 Ų | 41 | 59.7 Ų | 59.7 | 27% | 0.266 | 33% | 0.327 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -66.1 | -15.7 | -175.5 | 26.8 | -36.5 | 0 | 0 | 0 | 114.7 | L244 V256 Y257 | L244-P254 HydrophobicContact CD2-CB 3.98Å; P254-V256 VanDerWaalsContact C-N 3.3Å; P254-Y257 CarbonylContact C-O 3.56Å; P254-Y257 WeakPolarHBondContact CA-O 3.41Å; P254-Y257 VanDerWaalsContact O-O 3.1Å |
| 255 | A | 86.1 | Confident | 89.4 | Confident | 68 Ų | 68 | 65.7 Ų | 65.7 | 56% | 0.562 | 35% | 0.346 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -70.9 | -26 | 171 | 0 | 0 | 0 | 0 | 0 | 113.2 | H253 | H253-A255 WeakPolarHBondContact ND1-CB 3.38Å; H253-A255 PolarHBondContact ND1-N 3.37Å; H253-A255 VanDerWaalsContact ND1-N 3.13Å; H253-A255 PolarHBondContact O-N 3.41Å; H253-A255 VanDerWaalsContact O-N 3.11Å |
| 256 | V | 88.6 | Confident | 89.3 | Confident | 82 Ų | 82 | 68.4 Ų | 68.4 | 50% | 0.497 | 36% | 0.356 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -109 | -25.2 | -176.2 | -177.3 | 0 | 0 | 0 | 0 | 111.4 | H253 P254 G291 K292 | H253-V256 PolarHBondContact O-N 2.96Å; P254-V256 VanDerWaalsContact C-N 3.3Å; V256-G291 CarbonylContact O-C 3.56Å; V256-G291 WeakPolarHBondContact O-CA 3.49Å; V256-K292 PolarHBondContact O-N 2.93Å |
| 257 | Y | 90.7 | Very high | 89.3 | Confident | 71 Ų | 71 | 72 Ų | 72 | 28% | 0.278 | 38% | 0.381 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.7 | 143.8 | -177.7 | -64.8 | -83.2 | 0 | 0 | 0 | 111.6 | P225 Y252 H253 P254 V289 E290 | P225-Y257 HydrophobicContact CG-CD1 4.47Å; P225-Y257 HydrophobicContact CG-CE1 4.01Å; Y252-Y257 HydrophobicContact CD1-CD1 4.29Å; Y252-Y257 AromaticContact CD1-CD2 3.88Å; Y252-Y257 HydrophobicContact CD1-CD2 3.88Å; Y252-Y257 HydrophobicContact CD1-CE1 4.16Å; Y252-Y257 AromaticContact CD1-CE2 3.75Å; Y252-Y257 HydrophobicContact CD1-CE2 3.75Å; Y252-Y257 HydrophobicContact CD1-CG 4.15Å; Y252-Y257 AromaticContact CD1-CZ 3.89Å; Y252-Y257 HydrophobicContact CG-CD2 4.46Å; H253-Y257 PolarHBondContact O-N 3.48Å; P254-Y257 CarbonylContact C-O 3.56Å; P254-Y257 WeakPolarHBondContact CA-O 3.41Å; P254-Y257 VanDerWaalsContact O-O 3.1Å; Y257-V289 HydrophobicContact CD1-CG1 3.82Å; Y257-V289 HydrophobicContact CG-CG1 4.01Å; Y257-E290 CarbonylContact C-O 3.54Å; Y257-E290 WeakPolarHBondContact CA-O 3.3Å |
| 258 | T | 91.7 | Very high | 89.2 | Confident | 37 Ų | 37 | 72.9 Ų | 72.9 | 23% | 0.227 | 39% | 0.386 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.1 | 156.1 | 174.1 | -169.4 | 0 | 0 | 0 | 0 | 110.5 | E290 | T258-E290 PolarHBondContact N-O 3.07Å; T258-E290 PolarHBondContact O-N 2.99Å |
| 259 | L | 93.1 | Very high | 89 | Confident | 1 Ų | 1 | 75.5 Ų | 75.5 | 1% | 0.005 | 40% | 0.404 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.1 | 122.3 | 175.6 | -63.2 | -176.4 | 0 | 0 | 0 | 109.5 | L222 L243 L247 P267 L268 I270 L287 V289 | L222-L259 HydrophobicContact CD2-CD1 4.31Å; L222-L259 HydrophobicContact CD2-CD2 3.36Å; L222-L259 HydrophobicContact CD2-CG 4.45Å; L243-L259 HydrophobicContact CB-CD1 3.76Å; L243-L259 HydrophobicContact CD1-CD1 4.36Å; L247-L259 HydrophobicContact CD1-CD2 3.97Å; L247-L259 HydrophobicContact CD2-CD2 4.16Å; L247-L259 HydrophobicContact CD2-CG 4.34Å; L259-P267 WeakPolarHBondContact O-CA 3.25Å; L259-L268 HydrophobicContact CB-CD1 4.06Å; L259-L268 PolarHBondContact O-N 3.24Å; L259-I270 HydrophobicContact CB-CD1 4.28Å; L259-I270 HydrophobicContact CD1-CD1 3.97Å; L259-I270 HydrophobicContact CG-CD1 4.35Å; L259-L287 HydrophobicContact CD1-CD1 4.36Å; L259-V289 HydrophobicContact CD2-CG2 3.75Å |
| 260 | C | 92 | Very high | 89 | Confident | 7 Ų | 7 | 71 Ų | 71 | 5% | 0.047 | 39% | 0.386 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.9 | 142.6 | 179.6 | -65.8 | 0 | 0 | 0 | 0 | 111.1 | Q266 L287 N288 E290 | C260-Q266 CarbonylContact C-O 3.59Å; C260-Q266 VanDerWaalsContact CA-O 3.26Å; C260-Q266 WeakPolarHBondContact CA-O 3.44Å; C260-L287 CarbonylContact O-C 3.56Å; C260-L287 WeakPolarHBondContact O-CA 3.38Å; C260-N288 HydrophobicContact CB-CB 4.47Å; C260-N288 PolarHBondContact N-O 3.27Å; C260-N288 PolarHBondContact O-N 3.31Å; C260-E290 HydrophobicContact CB-CG 4.48Å; C260-E290 PolarHBondContact SG-OE2 3.44Å |
| 261 | T | 92.5 | Very high | 88.8 | Confident | 32 Ų | 32 | 69.8 Ų | 69.8 | 20% | 0.196 | 38% | 0.383 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -69.3 | 158.3 | 168.6 | 48.4 | 0 | 0 | 0 | 0 | 111.3 | P264 R265 Q266 L268 L287 | T261-P264 PolarHBondContact OG1-O 3.02Å; T261-R265 WeakPolarHBondContact O-CA 3.49Å; T261-Q266 PolarHBondContact N-O 3.41Å; T261-Q266 PolarHBondContact OG1-N 2.99Å; T261-Q266 VanDerWaalsContact OG1-N 3.08Å; T261-Q266 PolarHBondContact OG1-O 2.76Å; T261-L268 HydrophobicContact CG2-CD2 3.65Å; T261-L268 HydrophobicContact CG2-CG 4.21Å; T261-L287 HydrophobicContact CG2-CD2 4.29Å |
| 262 | T | 89 | Confident | 88.6 | Confident | 54 Ų | 54 | 74.7 Ų | 74.7 | 33% | 0.331 | 39% | 0.385 | S | S | . | . | S | Bend | trans | -77 | -42.8 | -180 | -58.7 | 0 | 0 | 0 | 0 | 112.5 | R265 V286 | T262-R265 WeakPolarHBondContact O-CG 3.48Å; T262-V286 PolarHBondContact OG1-O 3.45Å |
| 263 | Y | 86.2 | Confident | 88.5 | Confident | 218 Ų | 218 | 80.8 Ų | 80.8 | 86% | 0.855 | 42% | 0.42 | S | S | * | . | S | Bend | trans | -157 | 128.7 | 178.7 | -170.7 | -95.5 | 0 | 0 | 0 | 111.7 | ||
| 264 | P | 89.1 | Confident | 88.5 | Confident | 75 Ų | 75 | 78.2 Ų | 78.2 | 49% | 0.487 | 41% | 0.41 | S | S | . | . | S | Bend | cis | -58.6 | 148.9 | -16.8 | 28.4 | -34.3 | 0 | 0 | 0 | 109.9 | T261 Q266 | T261-P264 PolarHBondContact OG1-O 3.02Å; P264-Q266 PolarHBondContact O-N 3.49Å; P264-Q266 VanDerWaalsContact O-N 3.13Å |
| 265 | R | 88.8 | Confident | 88.7 | Confident | 179 Ų | 179 | 77.7 Ų | 77.7 | 68% | 0.675 | 41% | 0.407 | S | S | * | . | trans | -74.8 | 103.8 | -180 | -72.6 | -168.4 | 179.1 | -171.9 | 2.1 | 109.9 | T261 T262 | T261-R265 WeakPolarHBondContact O-CA 3.49Å; T262-R265 WeakPolarHBondContact O-CG 3.48Å | ||
| 266 | Q | 88.8 | Confident | 88.9 | Confident | 119 Ų | 119 | 74.4 Ų | 74.4 | 56% | 0.556 | 38% | 0.38 | S | S | * | . | trans | -138.5 | 144.3 | -179.8 | -69.9 | -175.4 | -30.9 | 0 | 0 | 110.4 | C260 T261 P264 L268 | C260-Q266 CarbonylContact C-O 3.59Å; C260-Q266 VanDerWaalsContact CA-O 3.26Å; C260-Q266 WeakPolarHBondContact CA-O 3.44Å; T261-Q266 PolarHBondContact N-O 3.41Å; T261-Q266 PolarHBondContact OG1-N 2.99Å; T261-Q266 VanDerWaalsContact OG1-N 3.08Å; T261-Q266 PolarHBondContact OG1-O 2.76Å; P264-Q266 PolarHBondContact O-N 3.49Å; P264-Q266 VanDerWaalsContact O-N 3.13Å; Q266-L268 PolarHBondContact O-N 3.26Å | ||
| 267 | P | 90.1 | Very high | 88.7 | Confident | 89 Ų | 89 | 71.1 Ų | 71.1 | 58% | 0.578 | 36% | 0.363 | S | S | * | . | B | Isolated β-bridge | trans | -65.2 | 134.2 | 172.7 | 28.5 | -33.3 | 0 | 0 | 0 | 109.5 | L259 | L259-P267 WeakPolarHBondContact O-CA 3.25Å |
| 268 | L | 88.6 | Confident | 88.6 | Confident | 20 Ų | 20 | 73.8 Ų | 73.8 | 11% | 0.105 | 38% | 0.381 | C | S | . | . | trans | -69.3 | 133.4 | 176.1 | -75.8 | 176.5 | 0 | 0 | 0 | 110.5 | L259 T261 Q266 I270 A279 I281 L287 | L259-L268 HydrophobicContact CB-CD1 4.06Å; L259-L268 PolarHBondContact O-N 3.24Å; T261-L268 HydrophobicContact CG2-CD2 3.65Å; T261-L268 HydrophobicContact CG2-CG 4.21Å; Q266-L268 PolarHBondContact O-N 3.26Å; L268-I270 HydrophobicContact CB-CD1 4.18Å; L268-I270 HydrophobicContact CB-CG1 3.98Å; L268-I270 PolarHBondContact O-N 2.99Å; L268-A279 VanDerWaalsContact CD2-O 3.26Å; L268-A279 WeakPolarHBondContact CD2-O 3.4Å; L268-I281 HydrophobicContact CD1-CD1 4.25Å; L268-L287 HydrophobicContact CD1-CD1 3.51Å; L268-L287 HydrophobicContact CD1-CD2 3.53Å; L268-L287 HydrophobicContact CD1-CG 4.13Å; L268-L287 HydrophobicContact CG-CD2 4.27Å | ||
| 269 | V | 86.3 | Confident | 88.3 | Confident | 109 Ų | 109 | 72.6 Ų | 72.6 | 66% | 0.661 | 38% | 0.376 | S | S | * | . | trans | -77.5 | 108.4 | 168.9 | -174.4 | 0 | 0 | 0 | 0 | 107.4 | I274 | V269-I274 HydrophobicContact CG1-CD1 3.75Š| ||
| 270 | I | 87.6 | Confident | 87.9 | Confident | 40 Ų | 40 | 75 Ų | 75 | 21% | 0.205 | 40% | 0.401 | C | S | . | . | trans | -112.5 | 130.8 | -177 | -60.7 | 163.4 | 0 | 0 | 0 | 109.1 | S240 L244 L259 L268 | S240-I270 VanDerWaalsContact C-CG2 3.45Å; S240-I270 WeakPolarHBondContact O-CG2 3.18Å; L244-I270 HydrophobicContact CD1-CB 4.37Å; L244-I270 HydrophobicContact CD1-CG2 3.67Å; L244-I270 HydrophobicContact CD2-CD1 3.63Å; L244-I270 HydrophobicContact CD2-CG2 4.33Å; L244-I270 HydrophobicContact CG-CB 4.48Å; L244-I270 HydrophobicContact CG-CD1 4.19Å; L244-I270 HydrophobicContact CG-CG2 3.74Å; L259-I270 HydrophobicContact CB-CD1 4.28Å; L259-I270 HydrophobicContact CD1-CD1 3.97Å; L259-I270 HydrophobicContact CG-CD1 4.35Å; L268-I270 HydrophobicContact CB-CD1 4.18Å; L268-I270 HydrophobicContact CB-CG1 3.98Å; L268-I270 PolarHBondContact O-N 2.99Å | ||
| 271 | G | 83.5 | Confident | 87.7 | Confident | 21 Ų | 21 | 74.7 Ų | 74.7 | 22% | 0.216 | 40% | 0.399 | C | S | . | . | trans | -154.4 | 156.5 | 179.9 | 0 | 0 | 0 | 0 | 0 | 111.4 | S240 D273 I274 | S240-G271 PolarHBondContact OG-N 3.06Å; S240-G271 PolarHBondContact OG-O 3.01Å; G271-D273 PolarHBondContact O-N 3.43Å; G271-I274 PolarHBondContact O-N 2.9Å | ||
| 272 | K | 83.4 | Confident | 87.4 | Confident | 169 Ų | 169 | 78.2 Ų | 78.2 | 74% | 0.735 | 42% | 0.416 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -64 | -29.9 | 175.2 | -70.1 | -175.6 | 178.5 | -176.2 | 0 | 111.9 | S239 I274 | S239-K272 WeakPolarHBondContact OG-CA 3.47Å; S239-K272 PolarHBondContact OG-O 2.75Å; K272-I274 VanDerWaalsContact C-N 3.35Å |
| 273 | D | 86.4 | Confident | 87.4 | Confident | 162 Ų | 162 | 80.3 Ų | 80.3 | 87% | 0.866 | 43% | 0.429 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -89.4 | -1.1 | -175.6 | -46.6 | -41.9 | 0 | 0 | 0 | 113.1 | G271 | G271-D273 PolarHBondContact O-N 3.43Š|
| 274 | I | 88.9 | Confident | 87.6 | Confident | 49 Ų | 49 | 75.9 Ų | 75.9 | 25% | 0.251 | 42% | 0.415 | S | S | . | . | S | Bend | trans | -110.6 | 124.8 | -176.4 | -56.5 | 174.2 | 0 | 0 | 0 | 108.5 | S240 V269 G271 K272 D278 A279 | S240-I274 WeakPolarHBondContact CB-O 3.45Å; S240-I274 PolarHBondContact N-O 3.25Å; S240-I274 PolarHBondContact OG-O 3.29Å; V269-I274 HydrophobicContact CG1-CD1 3.75Å; G271-I274 PolarHBondContact O-N 2.9Å; K272-I274 VanDerWaalsContact C-N 3.35Å; I274-D278 HydrophobicContact CG2-CB 3.79Å; I274-A279 HydrophobicContact CG2-CB 4.08Å |
| 275 | S | 91.8 | Very high | 87.7 | Confident | 29 Ų | 29 | 73.6 Ų | 73.6 | 20% | 0.203 | 40% | 0.4 | C | S | . | . | B | Isolated β-bridge | trans | -73.7 | 163.1 | 175.9 | 74.7 | 0 | 0 | 0 | 0 | 112.1 | D238 G277 D278 A279 | D238-S275 CarbonylContact O-C 3.54Å; D238-S275 WeakPolarHBondContact O-CA 3.36Å; S275-G277 PolarHBondContact O-N 2.95Å; S275-G277 PolarHBondContact OG-N 3.41Å; S275-D278 WeakPolarHBondContact CB-OD2 3.45Å; S275-D278 PolarHBondContact O-N 3.44Å; S275-D278 PolarHBondContact OG-N 3.39Å; S275-D278 VanDerWaalsContact OG-N 3.14Å; S275-D278 PolarHBondContact OG-OD2 2.67Å; S275-A279 WeakPolarHBondContact O-CB 3.5Å; S275-A279 PolarHBondContact O-N 3.03Å |
| 276 | M | 89.1 | Confident | 87.9 | Confident | 0 Ų | 0 | 67.3 Ų | 67.3 | 0% | 0 | 38% | 0.382 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -51.5 | -44.5 | 170.7 | -78 | -67.5 | 104.3 | 0 | 0 | 111.8 | F234 L235 K236 D238 L243 A279 I281 | F234-M276 HydrophobicContact CB-CG 4.25Å; F234-M276 HydrophobicContact CB-SD 4.26Å; L235-M276 VanDerWaalsContact O-CG 3.25Å; L235-M276 WeakPolarHBondContact O-CG 3.45Å; K236-M276 PolarHBondContact O-N 3.37Å; D238-M276 HydrophobicContact CB-CG 4.27Å; D238-M276 PolarHBondContact O-N 2.9Å; L243-M276 HydrophobicContact CD1-CE 3.61Å; L243-M276 HydrophobicContact CD1-SD 4.02Å; L243-M276 HydrophobicContact CD2-CE 4.38Å; L243-M276 HydrophobicContact CD2-SD 4.33Å; L243-M276 HydrophobicContact CG-CE 3.62Å; L243-M276 HydrophobicContact CG-SD 4.15Å; M276-A279 PolarHBondContact O-N 2.93Å; M276-I281 WeakPolarHBondContact O-CA 3.25Å; M276-I281 VanDerWaalsContact O-CB 3.28Å; M276-I281 WeakPolarHBondContact O-CB 3.49Å; M276-I281 PolarHBondContact O-N 3.49Å; M276-I281 HydrophobicContact SD-CD1 3.91Å |
| 277 | G | 86.3 | Confident | 88.2 | Confident | 13 Ų | 13 | 61.7 Ų | 61.7 | 13% | 0.134 | 36% | 0.355 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -62.1 | -46.4 | 179.5 | 0 | 0 | 0 | 0 | 0 | 112.4 | K236 S275 A279 G280 | K236-G277 PolarHBondContact O-N 2.86Å; S275-G277 PolarHBondContact O-N 2.95Å; S275-G277 PolarHBondContact OG-N 3.41Å; G277-A279 VanDerWaalsContact C-N 3.3Å; G277-A279 PolarHBondContact O-N 3.19Å; G277-G280 PolarHBondContact O-N 2.98Å |
| 278 | D | 87.7 | Confident | 88.3 | Confident | 126 Ų | 126 | 58.2 Ų | 58.2 | 67% | 0.674 | 33% | 0.332 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -70.6 | -26.8 | -178.9 | -58.3 | -37.5 | 0 | 0 | 0 | 112.6 | I274 S275 G280 | I274-D278 HydrophobicContact CG2-CB 3.79Å; S275-D278 WeakPolarHBondContact CB-OD2 3.45Å; S275-D278 PolarHBondContact O-N 3.44Å; S275-D278 PolarHBondContact OG-N 3.39Å; S275-D278 VanDerWaalsContact OG-N 3.14Å; S275-D278 PolarHBondContact OG-OD2 2.67Å; D278-G280 PolarHBondContact O-N 2.89Å |
| 279 | A | 86.1 | Confident | 88.5 | Confident | 13 Ų | 13 | 57.6 Ų | 57.6 | 11% | 0.107 | 33% | 0.329 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -71.2 | -0.9 | 170.8 | 0 | 0 | 0 | 0 | 0 | 113.1 | L268 I274 S275 M276 G277 | L268-A279 VanDerWaalsContact CD2-O 3.26Å; L268-A279 WeakPolarHBondContact CD2-O 3.4Å; I274-A279 HydrophobicContact CG2-CB 4.08Å; S275-A279 WeakPolarHBondContact O-CB 3.5Å; S275-A279 PolarHBondContact O-N 3.03Å; M276-A279 PolarHBondContact O-N 2.93Å; G277-A279 VanDerWaalsContact C-N 3.3Å; G277-A279 PolarHBondContact O-N 3.19Å |
| 280 | G | 84.7 | Confident | 88.8 | Confident | 52 Ų | 52 | 55.4 Ų | 55.4 | 54% | 0.536 | 31% | 0.312 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 90.2 | 13.2 | -179.6 | 0 | 0 | 0 | 0 | 0 | 114.2 | G277 D278 L282 | G277-G280 PolarHBondContact O-N 2.98Å; D278-G280 PolarHBondContact O-N 2.89Å; G280-L282 PolarHBondContact O-N 3.31Å |
| 281 | I | 87.5 | Confident | 88.8 | Confident | 0 Ų | 0 | 56 Ų | 56 | 0% | 0 | 33% | 0.328 | C | S | . | . | trans | -100.2 | 70 | 179.6 | -55.3 | 169.6 | 0 | 0 | 0 | 109 | V218 V220 L243 L268 M276 L287 | V218-I281 HydrophobicContact CB-CG2 4.35Å; V218-I281 HydrophobicContact CG1-CG2 3.5Å; V220-I281 HydrophobicContact CG2-CG2 3.86Å; L243-I281 HydrophobicContact CD1-CD1 3.55Å; L268-I281 HydrophobicContact CD1-CD1 4.25Å; M276-I281 WeakPolarHBondContact O-CA 3.25Å; M276-I281 VanDerWaalsContact O-CB 3.28Å; M276-I281 WeakPolarHBondContact O-CB 3.49Å; M276-I281 PolarHBondContact O-N 3.49Å; M276-I281 HydrophobicContact SD-CD1 3.91Å; I281-L287 HydrophobicContact CD1-CD1 4.18Å | ||
| 282 | L | 85.9 | Confident | 88.9 | Confident | 106 Ų | 106 | 59.5 Ų | 59.5 | 56% | 0.555 | 34% | 0.337 | S | S | * | . | trans | -86 | -30.2 | -178.3 | -64.7 | 170.3 | 0 | 0 | 0 | 113.4 | K236 G280 | K236-L282 WeakPolarHBondContact CE-O 3.48Å; K236-L282 PolarHBondContact NZ-O 2.97Å; K236-L282 VanDerWaalsContact NZ-O 3.08Å; G280-L282 PolarHBondContact O-N 3.31Å | ||
| 283 | T | 88.7 | Confident | 88.6 | Confident | 98 Ų | 98 | 56.9 Ų | 56.9 | 60% | 0.601 | 33% | 0.331 | S | S | * | . | S | Bend | trans | -129 | 175.8 | -177.6 | 54.3 | 0 | 0 | 0 | 0 | 110.1 | V218 T285 | V218-T283 WeakPolarHBondContact CG1-O 3.5Å; T283-T285 PolarHBondContact O-N 2.92Å; T283-T285 PolarHBondContact O-OG1 3.35Å |
| 284 | H | 90.9 | Very high | 87.4 | Confident | 124 Ų | 124 | 55.4 Ų | 55.4 | 57% | 0.574 | 33% | 0.33 | S | S | * | . | S | Bend | trans | -55 | 114.5 | 172.1 | -54.1 | -58.7 | 0 | 0 | 0 | 110.3 | R219 | R219-H284 HydrophobicContact CB-CB 4.36Å; R219-H284 WeakPolarHBondContact CB-ND1 3.22Å; R219-H284 PolarHBondContact N-ND1 2.95Å; R219-H284 CarbonylContact O-C 3.14Å; R219-H284 VanDerWaalsContact O-CA 3.28Å; R219-H284 WeakPolarHBondContact O-CA 3.44Å |
| 285 | T | 91.4 | Very high | 85.7 | Confident | 28 Ų | 28 | 57.8 Ų | 57.8 | 17% | 0.172 | 35% | 0.351 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.1 | 144.1 | -169 | -64.8 | 0 | 0 | 0 | 0 | 110.6 | R219 V220 A221 T283 L287 | R219-T285 PolarHBondContact O-N 3.02Å; R219-T285 VanDerWaalsContact O-N 3.08Å; V220-T285 WeakPolarHBondContact CA-O 3.45Å; A221-T285 PolarHBondContact N-O 2.97Å; T283-T285 PolarHBondContact O-N 2.92Å; T283-T285 PolarHBondContact O-OG1 3.35Å; T285-L287 HydrophobicContact CG2-CD2 3.86Å; T285-L287 HydrophobicContact CG2-CG 4.43Å |
| 286 | V | 92.9 | Very high | 83.8 | Confident | 47 Ų | 47 | 61.3 Ų | 61.3 | 29% | 0.285 | 37% | 0.371 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.6 | 125.4 | 173.4 | -175 | 0 | 0 | 0 | 0 | 108.9 | A221 R223 T262 | A221-V286 HydrophobicContact CB-CB 4.48Å; A221-V286 HydrophobicContact CB-CG1 4.34Å; A221-V286 HydrophobicContact CB-CG2 4.14Å; A221-V286 WeakPolarHBondContact O-CA 3.49Å; R223-V286 HydrophobicContact CG-CG1 3.91Å; T262-V286 PolarHBondContact OG1-O 3.45Å |
| 287 | L | 93.6 | Very high | 81.3 | Confident | 0 Ų | 0 | 70.6 Ų | 70.6 | 0% | 0 | 43% | 0.428 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.5 | 140.2 | 178.6 | -60.2 | -178.3 | 0 | 0 | 0 | 109.8 | V220 A221 L222 R223 L243 L259 C260 T261 L268 I281 T285 | V220-L287 HydrophobicContact CG1-CD1 3.56Å; V220-L287 HydrophobicContact CG1-CG 3.96Å; A221-L287 PolarHBondContact O-N 3.43Å; L222-L287 CarbonylContact C-O 3.49Å; L222-L287 WeakPolarHBondContact CA-O 3.28Å; L222-L287 HydrophobicContact CD2-CB 3.84Å; L222-L287 HydrophobicContact CD2-CD1 4.41Å; R223-L287 PolarHBondContact N-O 3.43Å; L243-L287 HydrophobicContact CD1-CD1 4.28Å; L259-L287 HydrophobicContact CD1-CD1 4.36Å; C260-L287 CarbonylContact O-C 3.56Å; C260-L287 WeakPolarHBondContact O-CA 3.38Å; T261-L287 HydrophobicContact CG2-CD2 4.29Å; L268-L287 HydrophobicContact CD1-CD1 3.51Å; L268-L287 HydrophobicContact CD1-CD2 3.53Å; L268-L287 HydrophobicContact CD1-CG 4.13Å; L268-L287 HydrophobicContact CG-CD2 4.27Å; I281-L287 HydrophobicContact CD1-CD1 4.18Å; T285-L287 HydrophobicContact CG2-CD2 3.86Å; T285-L287 HydrophobicContact CG2-CG 4.43Å |
| 288 | N | 93.6 | Very high | 81.1 | Confident | 16 Ų | 16 | 73.5 Ų | 73.5 | 9% | 0.086 | 44% | 0.443 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.2 | 131.9 | 177.2 | -58.7 | -38.9 | 0 | 0 | 0 | 109.1 | R223 C260 E290 | R223-N288 VanDerWaalsContact CD-OD1 3.31Å; R223-N288 WeakPolarHBondContact CD-OD1 3.46Å; C260-N288 HydrophobicContact CB-CB 4.47Å; C260-N288 PolarHBondContact N-O 3.27Å; C260-N288 PolarHBondContact O-N 3.31Å; N288-E290 HydrophobicContact CB-CG 4.28Å |
| 289 | V | 93.1 | Very high | 80.8 | Confident | 7 Ų | 7 | 70.7 Ų | 70.7 | 4% | 0.042 | 43% | 0.431 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.5 | 111.6 | 172.9 | 177.4 | 0 | 0 | 0 | 0 | 107.5 | L222 R223 P225 L247 Y252 Y257 L259 | L222-V289 HydrophobicContact CB-CG2 4.3Å; L222-V289 HydrophobicContact CD2-CG2 3.89Å; R223-V289 PolarHBondContact O-N 2.63Å; P225-V289 HydrophobicContact CG-CG1 4.44Å; P225-V289 WeakPolarHBondContact CG-O 3.47Å; L247-V289 HydrophobicContact CD1-CB 4.41Å; L247-V289 HydrophobicContact CD1-CG1 3.86Å; L247-V289 HydrophobicContact CD1-CG2 3.62Å; Y252-V289 HydrophobicContact CD1-CG1 4.18Å; Y252-V289 HydrophobicContact CG-CG1 4.14Å; Y257-V289 HydrophobicContact CD1-CG1 3.82Å; Y257-V289 HydrophobicContact CG-CG1 4.01Å; L259-V289 HydrophobicContact CD2-CG2 3.75Å |
| 290 | E | 91.2 | Very high | 80.5 | Confident | 64 Ų | 64 | 73.9 Ų | 73.9 | 30% | 0.299 | 45% | 0.449 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.9 | 153.7 | -176.6 | -65.9 | -177.2 | 175.1 | 0 | 0 | 110.6 | Y257 T258 C260 N288 | Y257-E290 CarbonylContact C-O 3.54Å; Y257-E290 WeakPolarHBondContact CA-O 3.3Å; T258-E290 PolarHBondContact N-O 3.07Å; T258-E290 PolarHBondContact O-N 2.99Å; C260-E290 HydrophobicContact CB-CG 4.48Å; C260-E290 PolarHBondContact SG-OE2 3.44Å; N288-E290 HydrophobicContact CB-CG 4.28Å |
| 291 | G | 88.1 | Confident | 80.2 | Confident | 53 Ų | 53 | 75.2 Ų | 75.2 | 55% | 0.546 | 44% | 0.444 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -66.2 | 132.5 | 175.1 | 0 | 0 | 0 | 0 | 0 | 110.5 | V256 | V256-G291 CarbonylContact O-C 3.56Å; V256-G291 WeakPolarHBondContact O-CA 3.49Å |
| 292 | K | 85.6 | Confident | 79.8 | Confident | 93 Ų | 93 | 79.9 Ų | 79.9 | 40% | 0.404 | 47% | 0.472 | S | S | . | . | P | Polyproline II helix | trans | -82 | 122.9 | 176.5 | -173.5 | 178.7 | -179.6 | -177.1 | 0 | 109.1 | V256 | V256-K292 PolarHBondContact O-N 2.93Š|
| 293 | D | 77.1 | Confident | 79.3 | Confident | 115 Ų | 115 | 78.1 Ų | 78.1 | 62% | 0.615 | 47% | 0.466 | S | S | * | . | P | Polyproline II helix | trans | -70.1 | 136.2 | 173.5 | -68.2 | -38.7 | 0 | 0 | 0 | 110.6 | S295 | D293-S295 PolarHBondContact O-N 3.26Š|
| 294 | P | 61 | Low | 78.7 | Confident | 130 Ų | 130 | 76.7 Ų | 76.7 | 84% | 0.844 | 46% | 0.456 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -70.2 | -0.7 | -177.3 | 29.3 | -35.9 | 0 | 0 | 0 | 113.9 | ||
| 295 | S | 53.7 | Low | 77.7 | Confident | 100 Ų | 100 | 73.1 Ų | 73.1 | 70% | 0.699 | 45% | 0.447 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -86.7 | -5 | -177.1 | 53.1 | 0 | 0 | 0 | 0 | 114.5 | D293 | D293-S295 PolarHBondContact O-N 3.26Š|
| 296 | T | 52.3 | Low | 76.6 | Confident | 102 Ų | 102 | 76.8 Ų | 76.8 | 63% | 0.626 | 47% | 0.47 | S | S | * | . | trans | -110.7 | 78.8 | -179.9 | -45.5 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 297 | T | 36.9 | Very low | 75.1 | Confident | 195 Ų | 195 | 79.5 Ų | 79.5 | 100% | 1.196 | 49% | 0.487 | S | S | * | . | trans | -141.1 | 0 | 164 | -64.9 | 0 | 0 | 0 | 0 | 108.4 |
Retrieved 297 of 297 residues in 1181.4 ms
(Link to these results)