| 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 | 55.2 | Low | 68.4 | Low | 212 Ų | 212 | 115.1 Ų | 115.1 | 100% | 1.044 | 63% | 0.632 | S | S | * | * | 0 | -38.5 | 0 | -66.1 | -147.2 | -116.4 | 0 | 0 | 114.1 | S3 F4 | M1-S3 PolarHBondContact O-N 3.49Å; M1-F4 PolarHBondContact O-N 3.32Å | |||
| 2 | A | 57.4 | Low | 69.5 | Low | 73 Ų | 73 | 114.3 Ų | 114.3 | 60% | 0.603 | 63% | 0.625 | S | S | * | * | H | α-helix | trans | -63.4 | -29.7 | -178 | 0 | 0 | 0 | 0 | 0 | 115.9 | K6 | A2-K6 WeakPolarHBondContact O-CG 3.46Å; A2-K6 PolarHBondContact O-N 3.24Å |
| 3 | S | 57.5 | Low | 70.3 | Confident | 90 Ų | 90 | 114.2 Ų | 114.2 | 63% | 0.629 | 62% | 0.622 | S | S | * | * | H | α-helix | trans | -71.9 | -35.8 | -179.3 | -132.7 | 0 | 0 | 0 | 0 | 113.1 | M1 K6 L7 | M1-S3 PolarHBondContact O-N 3.49Å; S3-K6 PolarHBondContact O-N 3.02Å; S3-L7 PolarHBondContact O-N 3.27Å; S3-L7 VanDerWaalsContact O-N 3.13Å |
| 4 | F | 62.4 | Low | 71 | Confident | 166 Ų | 166 | 113.4 Ų | 113.4 | 73% | 0.728 | 62% | 0.616 | S | S | * | * | H | α-helix | trans | -70.4 | -36.9 | 178.9 | -73.8 | -77.6 | 0 | 0 | 0 | 112.2 | M1 L7 A8 | M1-F4 PolarHBondContact O-N 3.32Å; F4-L7 PolarHBondContact O-N 3.02Å; F4-A8 WeakPolarHBondContact O-CB 3.42Å; F4-A8 PolarHBondContact O-N 3.39Å |
| 5 | C | 61.2 | Low | 71.4 | Confident | 81 Ų | 81 | 110.3 Ų | 110.3 | 55% | 0.547 | 61% | 0.606 | S | S | . | * | H | α-helix | trans | -63.6 | -41 | 172.6 | -75.9 | 0 | 0 | 0 | 0 | 112.2 | L7 A8 F9 | C5-L7 VanDerWaalsContact C-N 3.34Å; C5-L7 PolarHBondContact O-N 3.5Å; C5-A8 PolarHBondContact O-N 3.33Å; C5-F9 WeakPolarHBondContact O-CD2 3.22Å; C5-F9 PolarHBondContact O-N 3.02Å |
| 6 | K | 68.3 | Low | 71.7 | Confident | 153 Ų | 153 | 107.9 Ų | 107.9 | 67% | 0.665 | 60% | 0.595 | S | S | * | * | H | α-helix | trans | -64.4 | -39.1 | 178 | -70.6 | -177.4 | 179.8 | -173.6 | 0 | 112.1 | A2 S3 V10 | A2-K6 WeakPolarHBondContact O-CG 3.46Å; A2-K6 PolarHBondContact O-N 3.24Å; S3-K6 PolarHBondContact O-N 3.02Å; K6-V10 VanDerWaalsContact O-CG2 3.31Å; K6-V10 WeakPolarHBondContact O-CG2 3.49Å; K6-V10 PolarHBondContact O-N 3.01Å; K6-V10 VanDerWaalsContact O-N 3.16Å |
| 7 | L | 73.6 | Confident | 71.8 | Confident | 114 Ų | 114 | 105.3 Ų | 105.3 | 60% | 0.597 | 59% | 0.585 | S | S | * | * | H | α-helix | trans | -69.5 | -40.5 | 178.2 | -130.4 | 152.8 | 0 | 0 | 0 | 111.8 | S3 F4 C5 V10 V11 | S3-L7 PolarHBondContact O-N 3.27Å; S3-L7 VanDerWaalsContact O-N 3.13Å; F4-L7 PolarHBondContact O-N 3.02Å; C5-L7 VanDerWaalsContact C-N 3.34Å; C5-L7 PolarHBondContact O-N 3.5Å; L7-V10 PolarHBondContact O-N 3.4Å; L7-V11 HydrophobicContact CD2-CG2 4.35Å; L7-V11 WeakPolarHBondContact O-CG2 3.5Å; L7-V11 PolarHBondContact O-N 3.47Å |
| 8 | A | 76.4 | Confident | 71.9 | Confident | 51 Ų | 51 | 104.9 Ų | 104.9 | 42% | 0.421 | 58% | 0.581 | S | S | . | * | H | α-helix | trans | -63.2 | -41.6 | 175.1 | 0 | 0 | 0 | 0 | 0 | 112.5 | F4 C5 V10 V11 I12 | F4-A8 WeakPolarHBondContact O-CB 3.42Å; F4-A8 PolarHBondContact O-N 3.39Å; C5-A8 PolarHBondContact O-N 3.33Å; A8-V10 PolarHBondContact O-N 3.07Å; A8-V11 PolarHBondContact O-N 2.97Å; A8-I12 VanDerWaalsContact O-CG1 3.28Å; A8-I12 WeakPolarHBondContact O-CG1 3.17Å; A8-I12 PolarHBondContact O-N 3Å |
| 9 | F | 76.5 | Confident | 71.8 | Confident | 152 Ų | 152 | 106 Ų | 106 | 67% | 0.667 | 59% | 0.586 | S | S | * | * | H | α-helix | trans | -64 | -38.7 | 176 | -95.9 | -82.4 | 0 | 0 | 0 | 112.8 | C5 I12 L13 | C5-F9 WeakPolarHBondContact O-CD2 3.22Å; C5-F9 PolarHBondContact O-N 3.02Å; F9-I12 PolarHBondContact O-N 3.02Å; F9-L13 WeakPolarHBondContact O-CB 3.41Å; F9-L13 PolarHBondContact O-N 2.97Å |
| 10 | V | 80.8 | Confident | 71.6 | Confident | 94 Ų | 94 | 110 Ų | 110 | 57% | 0.57 | 59% | 0.593 | S | S | * | * | H | α-helix | trans | -66.1 | -41.3 | 176.5 | 172 | 0 | 0 | 0 | 0 | 111.2 | K6 L7 A8 L13 L14 | K6-V10 VanDerWaalsContact O-CG2 3.31Å; K6-V10 WeakPolarHBondContact O-CG2 3.49Å; K6-V10 PolarHBondContact O-N 3.01Å; K6-V10 VanDerWaalsContact O-N 3.16Å; L7-V10 PolarHBondContact O-N 3.4Å; A8-V10 PolarHBondContact O-N 3.07Å; V10-L13 PolarHBondContact O-N 2.99Å; V10-L14 WeakPolarHBondContact O-CB 3.48Å; V10-L14 PolarHBondContact O-N 3.38Å |
| 11 | V | 82.8 | Confident | 71.3 | Confident | 80 Ų | 80 | 109.7 Ų | 109.7 | 49% | 0.485 | 59% | 0.59 | S | S | . | * | H | α-helix | trans | -66.2 | -41.7 | 178.1 | 173.6 | 0 | 0 | 0 | 0 | 111.6 | L7 A8 L14 C15 | L7-V11 HydrophobicContact CD2-CG2 4.35Å; L7-V11 WeakPolarHBondContact O-CG2 3.5Å; L7-V11 PolarHBondContact O-N 3.47Å; A8-V11 PolarHBondContact O-N 2.97Å; V11-L14 PolarHBondContact O-N 3.5Å; V11-C15 WeakPolarHBondContact O-CB 3.46Å; V11-C15 PolarHBondContact O-N 3.1Å |
| 12 | I | 81.8 | Confident | 71.6 | Confident | 106 Ų | 106 | 103.7 Ų | 103.7 | 54% | 0.544 | 57% | 0.569 | S | S | . | * | H | α-helix | trans | -63.8 | -43.8 | 176.9 | -68.1 | 165.7 | 0 | 0 | 0 | 110.5 | A8 F9 L14 C15 T16 | A8-I12 VanDerWaalsContact O-CG1 3.28Å; A8-I12 WeakPolarHBondContact O-CG1 3.17Å; A8-I12 PolarHBondContact O-N 3Å; F9-I12 PolarHBondContact O-N 3.02Å; I12-L14 VanDerWaalsContact C-N 3.32Å; I12-L14 PolarHBondContact O-N 2.95Å; I12-C15 PolarHBondContact O-N 2.94Å; I12-T16 WeakPolarHBondContact O-CG2 3.43Å; I12-T16 PolarHBondContact O-N 2.98Å; I12-T16 PolarHBondContact O-OG1 3.27Å |
| 13 | L | 80.3 | Confident | 71.7 | Confident | 113 Ų | 113 | 103.3 Ų | 103.3 | 59% | 0.592 | 57% | 0.566 | S | S | * | * | H | α-helix | trans | -63.3 | -40.4 | 179.2 | -155.4 | 150.5 | 0 | 0 | 0 | 111.1 | F9 V10 T16 C17 | F9-L13 WeakPolarHBondContact O-CB 3.41Å; F9-L13 PolarHBondContact O-N 2.97Å; V10-L13 PolarHBondContact O-N 2.99Å; L13-T16 WeakPolarHBondContact CA-OG1 3.19Å; L13-T16 PolarHBondContact O-N 3.48Å; L13-T16 PolarHBondContact O-OG1 3.09Å; L13-C17 PolarHBondContact O-N 2.94Å; L13-C17 PolarHBondContact O-SG 3.39Å; L13-C17 VanDerWaalsContact O-SG 3.33Å |
| 14 | L | 79.6 | Confident | 71.5 | Confident | 102 Ų | 102 | 102.9 Ų | 102.9 | 53% | 0.534 | 56% | 0.56 | S | S | . | * | H | α-helix | trans | -68.6 | -39.3 | 177.7 | -151.5 | 141.1 | 0 | 0 | 0 | 112.4 | V10 V11 I12 C17 L18 | V10-L14 WeakPolarHBondContact O-CB 3.48Å; V10-L14 PolarHBondContact O-N 3.38Å; V11-L14 PolarHBondContact O-N 3.5Å; I12-L14 VanDerWaalsContact C-N 3.32Å; I12-L14 PolarHBondContact O-N 2.95Å; L14-C17 PolarHBondContact O-N 2.99Å; L14-L18 HydrophobicContact CD2-CD1 3.93Å; L14-L18 WeakPolarHBondContact O-CG 3.39Å; L14-L18 PolarHBondContact O-N 3.49Å |
| 15 | C | 77.1 | Confident | 70.9 | Confident | 68 Ų | 68 | 101.2 Ų | 101.2 | 46% | 0.459 | 56% | 0.558 | S | S | . | * | H | α-helix | trans | -64.1 | -40.2 | 172 | -82.8 | 0 | 0 | 0 | 0 | 112.5 | V11 I12 C17 L18 L19 | V11-C15 WeakPolarHBondContact O-CB 3.46Å; V11-C15 PolarHBondContact O-N 3.1Å; I12-C15 PolarHBondContact O-N 2.94Å; C15-C17 VanDerWaalsContact C-N 3.34Å; C15-L18 PolarHBondContact O-N 2.93Å; C15-L19 WeakPolarHBondContact O-CG 3.36Å; C15-L19 PolarHBondContact O-N 3.04Å; C15-L19 VanDerWaalsContact O-N 3.08Å |
| 16 | T | 75.8 | Confident | 70.2 | Confident | 72 Ų | 72 | 102.3 Ų | 102.3 | 44% | 0.442 | 57% | 0.567 | S | S | . | * | H | α-helix | trans | -67.7 | -33.8 | 176.2 | 53.8 | 0 | 0 | 0 | 0 | 112.6 | I12 L13 Y20 | I12-T16 WeakPolarHBondContact O-CG2 3.43Å; I12-T16 PolarHBondContact O-N 2.98Å; I12-T16 PolarHBondContact O-OG1 3.27Å; L13-T16 WeakPolarHBondContact CA-OG1 3.19Å; L13-T16 PolarHBondContact O-N 3.48Å; L13-T16 PolarHBondContact O-OG1 3.09Å; T16-Y20 PolarHBondContact O-N 3.43Å; T16-Y20 VanDerWaalsContact O-N 3.11Å |
| 17 | C | 73.9 | Confident | 69 | Low | 63 Ų | 63 | 99.9 Ų | 99.9 | 43% | 0.426 | 57% | 0.565 | S | S | . | * | H | α-helix | trans | -66.5 | -42.3 | 173.4 | -73.1 | 0 | 0 | 0 | 0 | 112.1 | L13 L14 C15 Y20 I21 | L13-C17 PolarHBondContact O-N 2.94Å; L13-C17 PolarHBondContact O-SG 3.39Å; L13-C17 VanDerWaalsContact O-SG 3.33Å; L14-C17 PolarHBondContact O-N 2.99Å; C15-C17 VanDerWaalsContact C-N 3.34Å; C17-Y20 PolarHBondContact O-N 3.31Å; C17-I21 VanDerWaalsContact O-CG1 3.32Å; C17-I21 WeakPolarHBondContact O-CG1 3.3Å; C17-I21 PolarHBondContact O-N 3.44Å; C17-I21 VanDerWaalsContact O-N 3.12Å |
| 18 | L | 74.1 | Confident | 68.3 | Low | 98 Ų | 98 | 98.4 Ų | 98.4 | 51% | 0.513 | 58% | 0.577 | S | S | . | * | H | α-helix | trans | -63.8 | -41.5 | 177.4 | -75.5 | 166.7 | 0 | 0 | 0 | 112 | L14 C15 Y20 I21 S22 | L14-L18 HydrophobicContact CD2-CD1 3.93Å; L14-L18 WeakPolarHBondContact O-CG 3.39Å; L14-L18 PolarHBondContact O-N 3.49Å; C15-L18 PolarHBondContact O-N 2.93Å; L18-Y20 VanDerWaalsContact C-N 3.33Å; L18-Y20 PolarHBondContact O-N 3.31Å; L18-I21 PolarHBondContact O-N 2.76Å; L18-S22 PolarHBondContact O-N 3.26Å; L18-S22 VanDerWaalsContact O-N 3.17Å; L18-S22 PolarHBondContact O-OG 3.27Å |
| 19 | L | 69.3 | Low | 67.3 | Low | 126 Ų | 126 | 104.1 Ų | 104.1 | 66% | 0.66 | 59% | 0.592 | S | S | * | * | H | α-helix | trans | -64.5 | -35.5 | 175.7 | -71.7 | 172 | 0 | 0 | 0 | 112.7 | C15 A23 | C15-L19 WeakPolarHBondContact O-CG 3.36Å; C15-L19 PolarHBondContact O-N 3.04Å; C15-L19 VanDerWaalsContact O-N 3.08Å; L19-A23 PolarHBondContact O-N 3.14Å |
| 20 | Y | 67.6 | Low | 66.2 | Low | 185 Ų | 185 | 103 Ų | 103 | 73% | 0.725 | 60% | 0.6 | S | S | * | * | H | α-helix | trans | -67.1 | -36.9 | 175.6 | -116.7 | -89.7 | 0 | 0 | 0 | 112.7 | T16 C17 L18 A23 T24 | T16-Y20 PolarHBondContact O-N 3.43Å; T16-Y20 VanDerWaalsContact O-N 3.11Å; C17-Y20 PolarHBondContact O-N 3.31Å; L18-Y20 VanDerWaalsContact C-N 3.33Å; L18-Y20 PolarHBondContact O-N 3.31Å; Y20-A23 PolarHBondContact O-N 2.92Å; Y20-T24 VanDerWaalsContact O-CG2 3.24Å; Y20-T24 WeakPolarHBondContact O-CG2 3.14Å |
| 21 | I | 66.8 | Low | 65.3 | Low | 104 Ų | 104 | 105.8 Ų | 105.8 | 53% | 0.533 | 61% | 0.605 | S | S | . | * | H | α-helix | trans | -67.9 | -46.1 | 178.7 | -65.5 | 162.3 | 0 | 0 | 0 | 110.2 | C17 L18 A23 T24 | C17-I21 VanDerWaalsContact O-CG1 3.32Å; C17-I21 WeakPolarHBondContact O-CG1 3.3Å; C17-I21 PolarHBondContact O-N 3.44Å; C17-I21 VanDerWaalsContact O-N 3.12Å; L18-I21 PolarHBondContact O-N 2.76Å; I21-A23 PolarHBondContact O-N 2.82Å; I21-T24 PolarHBondContact O-N 2.98Å; I21-T24 VanDerWaalsContact O-N 3.09Å; I21-T24 PolarHBondContact O-OG1 2.87Å |
| 22 | S | 60.5 | Low | 64.4 | Low | 87 Ų | 87 | 111.7 Ų | 111.7 | 61% | 0.608 | 62% | 0.624 | S | S | * | * | H | α-helix | trans | -64.1 | -27 | 178.8 | -57.6 | 0 | 0 | 0 | 0 | 113.7 | L18 T24 | L18-S22 PolarHBondContact O-N 3.26Å; L18-S22 VanDerWaalsContact O-N 3.17Å; L18-S22 PolarHBondContact O-OG 3.27Å; S22-T24 VanDerWaalsContact C-N 3.29Å; S22-T24 PolarHBondContact O-N 2.89Å |
| 23 | A | 59 | Low | 63.5 | Low | 65 Ų | 65 | 116.3 Ų | 116.3 | 54% | 0.537 | 64% | 0.64 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -74.6 | -16.3 | 176.3 | 0 | 0 | 0 | 0 | 0 | 113.6 | L19 Y20 I21 | L19-A23 PolarHBondContact O-N 3.14Å; Y20-A23 PolarHBondContact O-N 2.92Å; I21-A23 PolarHBondContact O-N 2.82Å |
| 24 | T | 53.5 | Low | 63 | Low | 81 Ų | 81 | 116.1 Ų | 116.1 | 50% | 0.497 | 64% | 0.635 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -88.5 | -12.1 | -175.6 | 67.2 | 0 | 0 | 0 | 0 | 114.5 | Y20 I21 S22 S26 | Y20-T24 VanDerWaalsContact O-CG2 3.24Å; Y20-T24 WeakPolarHBondContact O-CG2 3.14Å; I21-T24 PolarHBondContact O-N 2.98Å; I21-T24 VanDerWaalsContact O-N 3.09Å; I21-T24 PolarHBondContact O-OG1 2.87Å; S22-T24 VanDerWaalsContact C-N 3.29Å; S22-T24 PolarHBondContact O-N 2.89Å; T24-S26 PolarHBondContact O-N 3.23Å |
| 25 | D | 49.7 | Very low | 62.6 | Low | 131 Ų | 131 | 116.7 Ų | 116.7 | 70% | 0.701 | 64% | 0.638 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -82.4 | -5.9 | -176.5 | -80.4 | -33.8 | 0 | 0 | 0 | 114.7 | ||
| 26 | S | 47.1 | Very low | 61.9 | Low | 104 Ų | 104 | 120.3 Ų | 120.3 | 73% | 0.727 | 65% | 0.651 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -95.6 | 2.5 | -178 | 63.2 | 0 | 0 | 0 | 0 | 115.2 | T24 | T24-S26 PolarHBondContact O-N 3.23Š|
| 27 | T | 44.1 | Very low | 61.7 | Low | 101 Ų | 101 | 127.9 Ų | 127.9 | 62% | 0.62 | 67% | 0.672 | S | S | * | * | S | Bend | trans | -102.7 | 112.6 | 179.6 | 58.1 | 0 | 0 | 0 | 0 | 111.5 | K29 | T27-K29 PolarHBondContact O-N 2.88Š|
| 28 | G | 58.5 | Low | 61.7 | Low | 83 Ų | 83 | 130.3 Ų | 130.3 | 86% | 0.856 | 68% | 0.681 | S | S | * | * | P | Polyproline II helix | trans | -51.5 | 118 | -168.8 | 0 | 0 | 0 | 0 | 0 | 114.8 | ||
| 29 | K | 53.9 | Low | 61.7 | Low | 172 Ų | 172 | 129.8 Ų | 129.8 | 75% | 0.748 | 67% | 0.672 | S | S | * | * | P | Polyproline II helix | trans | -94.3 | 130.5 | 165.8 | -61.2 | 177.5 | -173.6 | 168.8 | 0 | 108.7 | T27 K31 | T27-K29 PolarHBondContact O-N 2.88Å; K29-K31 PolarHBondContact O-N 2.82Å |
| 30 | P | 55 | Low | 62.1 | Low | 128 Ų | 128 | 129 Ų | 129 | 83% | 0.831 | 67% | 0.669 | S | S | * | * | P | Polyproline II helix | trans | -63.6 | 127 | 174.8 | 25.1 | -31.6 | 0 | 0 | 0 | 109.7 | K32 | P30-K32 PolarHBondContact O-N 3.01Š|
| 31 | K | 60.8 | Low | 62.4 | Low | 153 Ų | 153 | 126.4 Ų | 126.4 | 67% | 0.665 | 67% | 0.668 | S | S | * | * | P | Polyproline II helix | trans | -69 | 128.1 | -177.7 | -67.9 | -175.8 | 179 | -173.6 | 0 | 109.7 | K29 K33 | K29-K31 PolarHBondContact O-N 2.82Å; K31-K33 PolarHBondContact O-N 3.09Å |
| 32 | K | 64.3 | Low | 62.8 | Low | 203 Ų | 203 | 124.8 Ų | 124.8 | 88% | 0.883 | 67% | 0.67 | S | S | * | * | P | Polyproline II helix | trans | -61.2 | 132.9 | 174.1 | -68.2 | -177.7 | 178.4 | -177.7 | 0 | 109.2 | P30 K34 | P30-K32 PolarHBondContact O-N 3.01Å; K32-K34 PolarHBondContact O-N 3.36Å |
| 33 | K | 63.6 | Low | 63.4 | Low | 204 Ų | 204 | 122.1 Ų | 122.1 | 89% | 0.887 | 65% | 0.649 | S | S | * | * | P | Polyproline II helix | trans | -63.4 | 128 | 174.8 | -60.1 | -178 | -179.7 | -175.1 | 0 | 108.5 | K31 | K31-K33 PolarHBondContact O-N 3.09Š|
| 34 | K | 69.3 | Low | 64.2 | Low | 109 Ų | 109 | 123.1 Ų | 123.1 | 47% | 0.474 | 64% | 0.643 | S | S | . | * | P | Polyproline II helix | trans | -76.3 | 156 | 173.8 | -80.5 | 172.4 | 175.1 | 174 | 0 | 109.8 | K32 Y39 D43 | K32-K34 PolarHBondContact O-N 3.36Å; K34-Y39 HydrophobicContact CB-CE2 4.17Å; K34-D43 IonicContact NZ-OD1 2.68Å; K34-D43 PolarHBondContact NZ-OD1 2.66Å; K34-D43 IonicContact NZ-OD2 3.09Å; K34-D43 PolarHBondContact NZ-OD2 2.85Å |
| 35 | D | 70.3 | Confident | 65.1 | Low | 113 Ų | 113 | 122 Ų | 122 | 60% | 0.604 | 64% | 0.642 | S | S | * | * | P | Polyproline II helix | trans | -69.9 | 145 | 174.1 | -155.7 | -23.2 | 0 | 0 | 0 | 110 | R37 D38 Y39 | D35-R37 PolarHBondContact O-N 3.01Å; D35-R37 VanDerWaalsContact O-N 3.09Å; D35-D38 PolarHBondContact O-N 3.02Å; D35-Y39 VanDerWaalsContact O-CD2 3.28Å; D35-Y39 WeakPolarHBondContact O-CD2 3.47Å; D35-Y39 WeakPolarHBondContact O-CE2 3.46Å |
| 36 | I | 63.2 | Low | 66.3 | Low | 144 Ų | 144 | 121 Ų | 121 | 74% | 0.738 | 63% | 0.628 | S | S | * | * | G | 310 helix | trans | -60.6 | -26 | -169.6 | -77 | 161.7 | 0 | 0 | 0 | 112.4 | ||
| 37 | R | 72.4 | Confident | 67.4 | Low | 231 Ų | 231 | 118.2 Ų | 118.2 | 87% | 0.872 | 61% | 0.605 | S | S | * | * | G | 310 helix | trans | -81.9 | -15.1 | -178.6 | -63.3 | -178.6 | 178.4 | 179.5 | -0.3 | 114.2 | D35 | D35-R37 PolarHBondContact O-N 3.01Å; D35-R37 VanDerWaalsContact O-N 3.09Å |
| 38 | D | 73.9 | Confident | 68.4 | Low | 115 Ų | 115 | 117.9 Ų | 117.9 | 62% | 0.615 | 60% | 0.599 | S | S | * | * | G | 310 helix | trans | -102.5 | 9.5 | -176.5 | -62.3 | -29.3 | 0 | 0 | 0 | 112.6 | D35 N40 | D35-D38 PolarHBondContact O-N 3.02Å; D38-N40 PolarHBondContact O-N 3.5Å |
| 39 | Y | 73.4 | Confident | 68.9 | Low | 86 Ų | 86 | 119.7 Ų | 119.7 | 34% | 0.337 | 59% | 0.585 | S | S | . | * | trans | -71.2 | 111.3 | 174.9 | -82.5 | -92.8 | 0 | 0 | 0 | 109.9 | K34 D35 D43 L47 | K34-Y39 HydrophobicContact CB-CE2 4.17Å; D35-Y39 VanDerWaalsContact O-CD2 3.28Å; D35-Y39 WeakPolarHBondContact O-CD2 3.47Å; D35-Y39 WeakPolarHBondContact O-CE2 3.46Å; Y39-D43 HydrophobicContact CD1-CB 3.7Å; Y39-D43 HydrophobicContact CE1-CB 4.27Å; Y39-L47 HydrophobicContact CD1-CD1 3.7Å; Y39-L47 HydrophobicContact CE1-CD1 3.45Å; Y39-L47 VanDerWaalsContact CE1-CD1 3.45Å; Y39-L47 HydrophobicContact CE1-CG 4.25Å | ||
| 40 | N | 77.3 | Confident | 69.5 | Low | 110 Ų | 110 | 116.1 Ų | 116.1 | 59% | 0.588 | 57% | 0.571 | S | S | * | * | trans | -92.6 | 165.2 | 173.4 | -168.7 | 11.8 | 0 | 0 | 0 | 110.2 | D38 A42 D43 M44 | D38-N40 PolarHBondContact O-N 3.5Å; N40-A42 PolarHBondContact O-N 3.4Å; N40-A42 VanDerWaalsContact O-N 3.09Å; N40-D43 WeakPolarHBondContact O-CA 3.24Å; N40-D43 WeakPolarHBondContact O-CB 3.43Å; N40-D43 PolarHBondContact O-N 3.13Å; N40-M44 PolarHBondContact O-N 3.47Å | ||
| 41 | D | 73.8 | Confident | 70 | Confident | 131 Ų | 131 | 117.8 Ų | 117.8 | 70% | 0.701 | 56% | 0.561 | S | S | * | * | H | α-helix | trans | -57 | -30.2 | -176.8 | -147.8 | 21.9 | 0 | 0 | 0 | 112.9 | M44 A45 | D41-M44 WeakPolarHBondContact O-CB 3.44Å; D41-M44 PolarHBondContact O-N 3.34Å; D41-A45 PolarHBondContact O-N 3.41Å |
| 42 | A | 75 | Confident | 69.9 | Low | 70 Ų | 70 | 116.3 Ų | 116.3 | 58% | 0.579 | 56% | 0.557 | S | S | * | * | H | α-helix | trans | -69.6 | -32.2 | 172 | 0 | 0 | 0 | 0 | 0 | 113.8 | N40 R46 | N40-A42 PolarHBondContact O-N 3.4Å; N40-A42 VanDerWaalsContact O-N 3.09Å; A42-R46 VanDerWaalsContact O-CB 3.31Å; A42-R46 WeakPolarHBondContact O-CB 3.42Å; A42-R46 PolarHBondContact O-N 2.91Å; A42-R46 VanDerWaalsContact O-N 3.11Å |
| 43 | D | 73.3 | Confident | 69.7 | Low | 30 Ų | 30 | 114 Ų | 114 | 16% | 0.16 | 55% | 0.547 | C | S | . | . | H | α-helix | trans | -76.6 | -29 | 172.3 | -68.7 | -52 | 0 | 0 | 0 | 110.6 | K34 Y39 N40 R46 L47 | K34-D43 IonicContact NZ-OD1 2.68Å; K34-D43 PolarHBondContact NZ-OD1 2.66Å; K34-D43 IonicContact NZ-OD2 3.09Å; K34-D43 PolarHBondContact NZ-OD2 2.85Å; Y39-D43 HydrophobicContact CD1-CB 3.7Å; Y39-D43 HydrophobicContact CE1-CB 4.27Å; N40-D43 WeakPolarHBondContact O-CA 3.24Å; N40-D43 WeakPolarHBondContact O-CB 3.43Å; N40-D43 PolarHBondContact O-N 3.13Å; D43-R46 PolarHBondContact O-N 3.38Å; D43-L47 WeakPolarHBondContact O-CB 3.1Å; D43-L47 VanDerWaalsContact O-CG 3.28Å; D43-L47 WeakPolarHBondContact O-CG 2.97Å; D43-L47 PolarHBondContact O-N 2.89Å |
| 44 | M | 76.6 | Confident | 69.3 | Low | 86 Ų | 86 | 110.8 Ų | 110.8 | 42% | 0.424 | 54% | 0.539 | S | S | . | . | H | α-helix | trans | -68.3 | -43.6 | 171.3 | -72.1 | -54.1 | -46.2 | 0 | 0 | 112.4 | N40 D41 R46 L47 L48 | N40-M44 PolarHBondContact O-N 3.47Å; D41-M44 WeakPolarHBondContact O-CB 3.44Å; D41-M44 PolarHBondContact O-N 3.34Å; M44-R46 VanDerWaalsContact C-N 3.3Å; M44-R46 PolarHBondContact O-N 3.04Å; M44-L47 PolarHBondContact O-N 3.06Å; M44-L47 HydrophobicContact SD-CD1 4.15Å; M44-L48 WeakPolarHBondContact O-CB 3.47Å; M44-L48 WeakPolarHBondContact O-CG 3.23Å; M44-L48 PolarHBondContact O-N 2.83Å |
| 45 | A | 72.4 | Confident | 68.3 | Low | 57 Ų | 57 | 111 Ų | 111 | 47% | 0.471 | 55% | 0.545 | S | S | . | . | H | α-helix | trans | -63.1 | -38.2 | 173.1 | 0 | 0 | 0 | 0 | 0 | 111.8 | D41 L48 E49 | D41-A45 PolarHBondContact O-N 3.41Å; A45-L48 PolarHBondContact O-N 3.43Å; A45-E49 WeakPolarHBondContact O-CB 3.48Å; A45-E49 PolarHBondContact O-N 3.13Å |
| 46 | R | 73.9 | Confident | 67.5 | Low | 110 Ų | 110 | 112.2 Ų | 112.2 | 42% | 0.415 | 55% | 0.552 | S | S | . | * | H | α-helix | trans | -69.4 | -36.8 | 175.3 | -169.4 | -167 | 178.7 | 91.8 | 31.7 | 112.6 | A42 D43 M44 Q50 | A42-R46 VanDerWaalsContact O-CB 3.31Å; A42-R46 WeakPolarHBondContact O-CB 3.42Å; A42-R46 PolarHBondContact O-N 2.91Å; A42-R46 VanDerWaalsContact O-N 3.11Å; D43-R46 PolarHBondContact O-N 3.38Å; M44-R46 VanDerWaalsContact C-N 3.3Å; M44-R46 PolarHBondContact O-N 3.04Å; R46-Q50 WeakPolarHBondContact O-CG 3.46Å; R46-Q50 PolarHBondContact O-N 3.25Å |
| 47 | L | 70.1 | Confident | 66.9 | Low | 46 Ų | 46 | 110.6 Ų | 110.6 | 24% | 0.241 | 54% | 0.544 | C | S | . | . | H | α-helix | trans | -66.6 | -45.1 | 171.8 | -81.7 | 170.6 | 0 | 0 | 0 | 110 | Y39 D43 M44 E49 Q50 W51 | Y39-L47 HydrophobicContact CD1-CD1 3.7Å; Y39-L47 HydrophobicContact CE1-CD1 3.45Å; Y39-L47 VanDerWaalsContact CE1-CD1 3.45Å; Y39-L47 HydrophobicContact CE1-CG 4.25Å; D43-L47 WeakPolarHBondContact O-CB 3.1Å; D43-L47 VanDerWaalsContact O-CG 3.28Å; D43-L47 WeakPolarHBondContact O-CG 2.97Å; D43-L47 PolarHBondContact O-N 2.89Å; M44-L47 PolarHBondContact O-N 3.06Å; M44-L47 HydrophobicContact SD-CD1 4.15Å; L47-E49 VanDerWaalsContact C-N 3.32Å; L47-E49 PolarHBondContact O-N 3.5Å; L47-Q50 CarbonylContact O-C 3.52Å; L47-Q50 WeakPolarHBondContact O-CA 3.35Å; L47-Q50 WeakPolarHBondContact O-CB 3.24Å; L47-Q50 PolarHBondContact O-N 3.39Å; L47-W51 PolarHBondContact O-N 2.92Å |
| 48 | L | 65.6 | Low | 65.8 | Low | 94 Ų | 94 | 107.1 Ų | 107.1 | 49% | 0.492 | 54% | 0.537 | S | S | . | . | H | α-helix | trans | -57.7 | -44.3 | 174.2 | -82.7 | 164.8 | 0 | 0 | 0 | 111.3 | M44 A45 Q50 W51 E52 | M44-L48 WeakPolarHBondContact O-CB 3.47Å; M44-L48 WeakPolarHBondContact O-CG 3.23Å; M44-L48 PolarHBondContact O-N 2.83Å; A45-L48 PolarHBondContact O-N 3.43Å; L48-Q50 VanDerWaalsContact C-N 3.25Å; L48-Q50 PolarHBondContact O-N 2.98Å; L48-W51 PolarHBondContact O-N 2.75Å; L48-E52 VanDerWaalsContact O-CB 3.29Å; L48-E52 WeakPolarHBondContact O-CB 3.47Å; L48-E52 VanDerWaalsContact O-CG 3.28Å; L48-E52 WeakPolarHBondContact O-CG 3.4Å; L48-E52 PolarHBondContact O-N 3.3Å |
| 49 | E | 69.2 | Low | 64.7 | Low | 121 Ų | 121 | 108.1 Ų | 108.1 | 57% | 0.565 | 54% | 0.538 | S | S | * | . | H | α-helix | trans | -63.1 | -30 | 173.3 | -169.3 | -173.2 | -176.3 | 0 | 0 | 112.4 | A45 L47 K53 | A45-E49 WeakPolarHBondContact O-CB 3.48Å; A45-E49 PolarHBondContact O-N 3.13Å; L47-E49 VanDerWaalsContact C-N 3.32Å; L47-E49 PolarHBondContact O-N 3.5Å; E49-K53 WeakPolarHBondContact O-CB 3.31Å; E49-K53 PolarHBondContact O-N 2.85Å; E49-K53 VanDerWaalsContact O-N 3.13Å |
| 50 | Q | 66.3 | Low | 63.7 | Low | 97 Ų | 97 | 106.5 Ų | 106.5 | 45% | 0.453 | 55% | 0.548 | S | S | . | . | H | α-helix | trans | -75 | -38 | 173.4 | -78 | 176.7 | -23.3 | 0 | 0 | 112.6 | R46 L47 L48 D54 | R46-Q50 WeakPolarHBondContact O-CG 3.46Å; R46-Q50 PolarHBondContact O-N 3.25Å; L47-Q50 CarbonylContact O-C 3.52Å; L47-Q50 WeakPolarHBondContact O-CA 3.35Å; L47-Q50 WeakPolarHBondContact O-CB 3.24Å; L47-Q50 PolarHBondContact O-N 3.39Å; L48-Q50 VanDerWaalsContact C-N 3.25Å; L48-Q50 PolarHBondContact O-N 2.98Å; Q50-D54 WeakPolarHBondContact O-CB 3.38Å; Q50-D54 PolarHBondContact O-N 2.93Å |
| 51 | W | 64.7 | Low | 62.8 | Low | 164 Ų | 164 | 107.8 Ų | 107.8 | 62% | 0.621 | 56% | 0.555 | S | S | * | * | H | α-helix | trans | -71.2 | -48.2 | 175.5 | -82.2 | 84.2 | 0 | 0 | 0 | 111 | L47 L48 K53 D54 D55 | L47-W51 PolarHBondContact O-N 2.92Å; L48-W51 PolarHBondContact O-N 2.75Å; W51-K53 PolarHBondContact O-N 3.14Å; W51-D54 CarbonylContact O-C 3.59Å; W51-D54 PolarHBondContact O-N 3.09Å; W51-D54 VanDerWaalsContact O-N 3.1Å; W51-D55 VanDerWaalsContact O-CB 3.26Å; W51-D55 WeakPolarHBondContact O-CB 3.47Å; W51-D55 PolarHBondContact O-N 3.34Å |
| 52 | E | 59.8 | Low | 61.9 | Low | 122 Ų | 122 | 103 Ų | 103 | 57% | 0.57 | 53% | 0.529 | S | S | * | . | H | α-helix | trans | -58.5 | -34.1 | 174.1 | -71.4 | 172.9 | 176.5 | 0 | 0 | 111.6 | L48 D56 | L48-E52 VanDerWaalsContact O-CB 3.29Å; L48-E52 WeakPolarHBondContact O-CB 3.47Å; L48-E52 VanDerWaalsContact O-CG 3.28Å; L48-E52 WeakPolarHBondContact O-CG 3.4Å; L48-E52 PolarHBondContact O-N 3.3Å; E52-D56 VanDerWaalsContact O-CB 3.32Å; E52-D56 WeakPolarHBondContact O-CB 3.39Å; E52-D56 VanDerWaalsContact O-CG 3.23Å; E52-D56 PolarHBondContact O-N 3.26Å |
| 53 | K | 60.3 | Low | 61 | Low | 154 Ų | 154 | 103.7 Ų | 103.7 | 67% | 0.67 | 53% | 0.528 | S | S | * | . | H | α-helix | trans | -79.6 | -24.8 | 176.8 | -168.5 | 168.3 | -166.2 | 151.9 | 0 | 114.7 | E49 W51 | E49-K53 WeakPolarHBondContact O-CB 3.31Å; E49-K53 PolarHBondContact O-N 2.85Å; E49-K53 VanDerWaalsContact O-N 3.13Å; W51-K53 PolarHBondContact O-N 3.14Å |
| 54 | D | 54 | Low | 60.2 | Low | 137 Ų | 137 | 108 Ų | 108 | 73% | 0.733 | 55% | 0.547 | S | S | * | . | H | α-helix | trans | -91.4 | -23.9 | 175.2 | -80.3 | -16.1 | 0 | 0 | 0 | 112.2 | Q50 W51 | Q50-D54 WeakPolarHBondContact O-CB 3.38Å; Q50-D54 PolarHBondContact O-N 2.93Å; W51-D54 CarbonylContact O-C 3.59Å; W51-D54 PolarHBondContact O-N 3.09Å; W51-D54 VanDerWaalsContact O-N 3.1Å |
| 55 | D | 49.7 | Very low | 59.3 | Low | 112 Ų | 112 | 110.8 Ų | 110.8 | 60% | 0.599 | 56% | 0.558 | S | S | * | * | H | α-helix | trans | -90.7 | -8.9 | 178.2 | -76.1 | -27.4 | 0 | 0 | 0 | 113.9 | W51 I57 | W51-D55 VanDerWaalsContact O-CB 3.26Å; W51-D55 WeakPolarHBondContact O-CB 3.47Å; W51-D55 PolarHBondContact O-N 3.34Å; D55-I57 PolarHBondContact O-N 2.93Å; D55-I57 VanDerWaalsContact O-N 3.1Å |
| 56 | D | 52.8 | Low | 58.4 | Low | 140 Ų | 140 | 116.5 Ų | 116.5 | 75% | 0.749 | 57% | 0.568 | S | S | * | * | S | Bend | trans | -74.7 | 12.2 | 178.2 | -99.8 | -8.7 | 0 | 0 | 0 | 114.8 | E52 | E52-D56 VanDerWaalsContact O-CB 3.32Å; E52-D56 WeakPolarHBondContact O-CB 3.39Å; E52-D56 VanDerWaalsContact O-CG 3.23Å; E52-D56 PolarHBondContact O-N 3.26Å |
| 57 | I | 51.2 | Low | 57.7 | Low | 110 Ų | 110 | 116.8 Ų | 116.8 | 56% | 0.564 | 57% | 0.569 | S | S | * | * | trans | -124.8 | 74.4 | 171.6 | -37.4 | -178.8 | 0 | 0 | 0 | 110 | D55 E59 L62 | D55-I57 PolarHBondContact O-N 2.93Å; D55-I57 VanDerWaalsContact O-N 3.1Å; I57-E59 PolarHBondContact O-N 3.46Å; I57-L62 HydrophobicContact CB-CD1 4.19Å; I57-L62 HydrophobicContact CG2-CD1 3.16Å; I57-L62 HydrophobicContact CG2-CG 3.79Å | ||
| 58 | E | 49 | Very low | 56.9 | Low | 158 Ų | 158 | 118.9 Ų | 118.9 | 74% | 0.738 | 59% | 0.588 | S | S | * | * | trans | -48.9 | 130.3 | 166.5 | -138.7 | -179.1 | -166.6 | 0 | 0 | 109.1 | G60 D61 L62 | E58-G60 PolarHBondContact O-N 2.88Å; E58-D61 PolarHBondContact O-N 2.68Å; E58-L62 WeakPolarHBondContact O-CD1 3.18Å | ||
| 59 | E | 50.1 | Low | 56.4 | Low | 135 Ų | 135 | 117.3 Ų | 117.3 | 63% | 0.631 | 58% | 0.583 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -60.7 | -10.6 | -172.8 | -161.9 | 154 | -168.8 | 0 | 0 | 113.7 | I57 | I57-E59 PolarHBondContact O-N 3.46Š|
| 60 | G | 52.2 | Low | 55.9 | Low | 53 Ų | 53 | 116.4 Ų | 116.4 | 55% | 0.546 | 59% | 0.587 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -80.5 | -20 | 171.9 | 0 | 0 | 0 | 0 | 0 | 116.3 | E58 R67 | E58-G60 PolarHBondContact O-N 2.88Å; G60-R67 PolarHBondContact O-NH2 3.33Å |
| 61 | D | 58.5 | Low | 55.6 | Low | 137 Ų | 137 | 118 Ų | 118 | 73% | 0.733 | 61% | 0.606 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -111 | 5.6 | -179.1 | -153.6 | 22.7 | 0 | 0 | 0 | 113.5 | E58 | E58-D61 PolarHBondContact O-N 2.68Š|
| 62 | L | 54.5 | Low | 55.4 | Low | 30 Ų | 30 | 111.9 Ų | 111.9 | 16% | 0.157 | 59% | 0.587 | C | S | . | * | S | Bend | trans | -63.9 | 131.7 | 170 | -89 | 78 | 0 | 0 | 0 | 109.6 | I57 E58 E64 R66 R67 | I57-L62 HydrophobicContact CB-CD1 4.19Å; I57-L62 HydrophobicContact CG2-CD1 3.16Å; I57-L62 HydrophobicContact CG2-CG 3.79Å; E58-L62 WeakPolarHBondContact O-CD1 3.18Å; L62-E64 PolarHBondContact O-N 3.34Å; L62-R66 HydrophobicContact CB-CB 4.14Å; L62-R66 HydrophobicContact CD2-CB 3.26Å; L62-R66 HydrophobicContact CD2-CG 4.33Å; L62-R66 HydrophobicContact CG-CB 3.95Å; L62-R67 HydrophobicContact CB-CG 4.26Å |
| 63 | P | 57.6 | Low | 55.1 | Low | 85 Ų | 85 | 111.5 Ų | 111.5 | 55% | 0.552 | 59% | 0.589 | S | S | * | * | trans | -58.7 | 143.6 | 169 | -9.7 | 20.2 | 0 | 0 | 0 | 108.7 | H65 R66 | P63-H65 PolarHBondContact O-N 3.18Å; P63-H65 PolarHBondContact O-ND1 3.48Å; P63-R66 PolarHBondContact O-N 3.09Å | ||
| 64 | E | 55.6 | Low | 54.8 | Low | 119 Ų | 119 | 109.6 Ų | 109.6 | 56% | 0.556 | 58% | 0.581 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -48 | -20.7 | -169.8 | -162.3 | 160.9 | -175.1 | 0 | 0 | 114.9 | L62 R143 | L62-E64 PolarHBondContact O-N 3.34Å; E64-R143 IonicContact OE1-CZ 3.41Å; E64-R143 IonicContact OE1-NE 2.86Å; E64-R143 PolarHBondContact OE1-NE 3.02Å; E64-R143 IonicContact OE1-NH2 2.68Å; E64-R143 PolarHBondContact OE1-NH2 3.4Å; E64-R143 IonicContact OE2-CZ 3.47Å; E64-R143 IonicContact OE2-NH2 2.78Å; E64-R143 PolarHBondContact OE2-NH2 2.94Å |
| 65 | H | 58 | Low | 55.3 | Low | 145 Ų | 145 | 107.2 Ų | 107.2 | 67% | 0.671 | 58% | 0.575 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -71.1 | -19 | 173.7 | 86.1 | -60.1 | 0 | 0 | 0 | 117.2 | P63 | P63-H65 PolarHBondContact O-N 3.18Å; P63-H65 PolarHBondContact O-ND1 3.48Å |
| 66 | R | 54.3 | Low | 55.8 | Low | 178 Ų | 178 | 110.6 Ų | 110.6 | 67% | 0.672 | 58% | 0.584 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -106.3 | -11.2 | -178.2 | -71.9 | -112.4 | -163.3 | 166.2 | 10.1 | 113.6 | L62 P63 S68 | L62-R66 HydrophobicContact CB-CB 4.14Å; L62-R66 HydrophobicContact CD2-CB 3.26Å; L62-R66 HydrophobicContact CD2-CG 4.33Å; L62-R66 HydrophobicContact CG-CB 3.95Å; P63-R66 PolarHBondContact O-N 3.09Å; R66-S68 PolarHBondContact O-N 2.99Å |
| 67 | R | 58.1 | Low | 55.9 | Low | 116 Ų | 116 | 105 Ų | 105 | 44% | 0.438 | 56% | 0.555 | S | S | . | * | S | Bend | trans | -65.9 | 126 | 173.4 | -69.8 | -171 | 179.7 | 138.6 | 1.9 | 108.4 | G60 L62 | G60-R67 PolarHBondContact O-NH2 3.33Å; L62-R67 HydrophobicContact CB-CG 4.26Å |
| 68 | S | 53.8 | Low | 56.1 | Low | 90 Ų | 90 | 106 Ų | 106 | 63% | 0.629 | 56% | 0.562 | S | S | * | * | P | Polyproline II helix | trans | -61.4 | 126.1 | 173.1 | 59.1 | 0 | 0 | 0 | 0 | 107.7 | R66 | R66-S68 PolarHBondContact O-N 2.99Š|
| 69 | P | 54.5 | Low | 56.7 | Low | 60 Ų | 60 | 104 Ų | 104 | 39% | 0.39 | 56% | 0.562 | S | S | . | * | P | Polyproline II helix | trans | -61.9 | 143.6 | -178.8 | 23.4 | -31.7 | 0 | 0 | 0 | 108.9 | ||
| 70 | P | 59.3 | Low | 57.4 | Low | 102 Ų | 102 | 102.7 Ų | 102.7 | 66% | 0.662 | 57% | 0.568 | S | S | * | * | P | Polyproline II helix | trans | -49.1 | 134.9 | 177.5 | -25.8 | 32.1 | 0 | 0 | 0 | 110.6 | V72 | P70-V72 PolarHBondContact O-N 3.36Š|
| 71 | P | 60.4 | Low | 57.9 | Low | 130 Ų | 130 | 106.8 Ų | 106.8 | 84% | 0.844 | 57% | 0.571 | S | S | * | * | P | Polyproline II helix | trans | -57.7 | 118.1 | 178.3 | -19.6 | 29.1 | 0 | 0 | 0 | 109.5 | D73 | P71-D73 PolarHBondContact O-N 2.77Š|
| 72 | V | 59.4 | Low | 58.2 | Low | 37 Ų | 37 | 104.6 Ų | 104.6 | 22% | 0.224 | 56% | 0.564 | C | S | . | * | trans | -75.5 | 113.6 | 174.7 | -179.2 | 0 | 0 | 0 | 0 | 106.6 | P70 F74 | P70-V72 PolarHBondContact O-N 3.36Å; V72-F74 HydrophobicContact CB-CE1 4.34Å; V72-F74 HydrophobicContact CB-CE2 3.94Å; V72-F74 HydrophobicContact CB-CZ 3.81Å; V72-F74 HydrophobicContact CG1-CD1 4.18Å; V72-F74 HydrophobicContact CG1-CE1 3.75Å; V72-F74 HydrophobicContact CG1-CE2 4.17Å; V72-F74 HydrophobicContact CG1-CZ 3.74Å; V72-F74 WeakPolarHBondContact O-CD2 3.42Å; V72-F74 VanDerWaalsContact O-CE2 3.29Å; V72-F74 WeakPolarHBondContact O-CE2 3.26Å; V72-F74 PolarHBondContact O-N 3.2Å | ||
| 73 | D | 53.3 | Low | 58.6 | Low | 114 Ų | 114 | 107.5 Ų | 107.5 | 61% | 0.61 | 58% | 0.577 | S | S | * | * | trans | -79.1 | 100 | 178.1 | -170.6 | -3.8 | 0 | 0 | 0 | 109.5 | P71 S75 | P71-D73 PolarHBondContact O-N 2.77Å; D73-S75 VanDerWaalsContact CG-OG 3.25Å; D73-S75 PolarHBondContact O-N 2.92Å; D73-S75 VanDerWaalsContact OD1-CB 3.27Å; D73-S75 WeakPolarHBondContact OD1-CB 3.49Å; D73-S75 PolarHBondContact OD1-N 3.43Å; D73-S75 PolarHBondContact OD1-OG 3.37Å; D73-S75 PolarHBondContact OD2-OG 2.98Å | ||
| 74 | F | 54.6 | Low | 58.9 | Low | 113 Ų | 113 | 106.3 Ų | 106.3 | 50% | 0.496 | 57% | 0.566 | S | S | . | * | G | 310 helix | trans | -78.1 | 3.6 | -178 | -63.4 | -78.3 | 0 | 0 | 0 | 113.7 | V72 K76 | V72-F74 HydrophobicContact CB-CE1 4.34Å; V72-F74 HydrophobicContact CB-CE2 3.94Å; V72-F74 HydrophobicContact CB-CZ 3.81Å; V72-F74 HydrophobicContact CG1-CD1 4.18Å; V72-F74 HydrophobicContact CG1-CE1 3.75Å; V72-F74 HydrophobicContact CG1-CE2 4.17Å; V72-F74 HydrophobicContact CG1-CZ 3.74Å; V72-F74 WeakPolarHBondContact O-CD2 3.42Å; V72-F74 VanDerWaalsContact O-CE2 3.29Å; V72-F74 WeakPolarHBondContact O-CE2 3.26Å; V72-F74 PolarHBondContact O-N 3.2Å; F74-K76 PolarHBondContact O-N 3.33Å |
| 75 | S | 64.4 | Low | 59.3 | Low | 87 Ų | 87 | 103.9 Ų | 103.9 | 61% | 0.608 | 56% | 0.556 | S | S | * | * | G | 310 helix | trans | -69.8 | -11.7 | -175.3 | 61.2 | 0 | 0 | 0 | 0 | 114.9 | D73 | D73-S75 VanDerWaalsContact CG-OG 3.25Å; D73-S75 PolarHBondContact O-N 2.92Å; D73-S75 VanDerWaalsContact OD1-CB 3.27Å; D73-S75 WeakPolarHBondContact OD1-CB 3.49Å; D73-S75 PolarHBondContact OD1-N 3.43Å; D73-S75 PolarHBondContact OD1-OG 3.37Å; D73-S75 PolarHBondContact OD2-OG 2.98Å |
| 76 | K | 59.5 | Low | 59.7 | Low | 184 Ų | 184 | 99.8 Ų | 99.8 | 80% | 0.8 | 54% | 0.539 | S | S | * | . | G | 310 helix | trans | -118 | 11 | -174.6 | -62 | -177 | -175.5 | 176 | 0 | 115 | F74 | F74-K76 PolarHBondContact O-N 3.33Š|
| 77 | V | 55 | Low | 60.2 | Low | 23 Ų | 23 | 94.2 Ų | 94.2 | 14% | 0.139 | 52% | 0.52 | C | S | . | . | trans | -107.9 | 121.4 | -173.2 | -163.4 | 0 | 0 | 0 | 0 | 110.8 | P79 L85 M88 | V77-P79 WeakPolarHBondContact O-CD 3.47Å; V77-L85 HydrophobicContact CG1-CB 4.05Å; V77-L85 HydrophobicContact CG1-CD1 4.35Å; V77-L85 HydrophobicContact CG1-CG 4.46Å; V77-M88 HydrophobicContact CG2-CE 4.47Å; V77-M88 HydrophobicContact CG2-SD 3.63Å | ||
| 78 | D | 56.8 | Low | 60.4 | Low | 130 Ų | 130 | 93.1 Ų | 93.1 | 70% | 0.695 | 52% | 0.521 | S | S | * | . | trans | -65.3 | 119.7 | 172 | -83.8 | -39.7 | 0 | 0 | 0 | 110.3 | S80 K81 | D78-S80 PolarHBondContact O-N 3.41Å; D78-K81 PolarHBondContact O-N 3.33Å | ||
| 79 | P | 60.6 | Low | 61.1 | Low | 116 Ų | 116 | 90 Ų | 90 | 75% | 0.753 | 50% | 0.499 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -69.5 | -0.6 | -178.3 | 27.4 | -33.9 | 0 | 0 | 0 | 113.9 | V77 | V77-P79 WeakPolarHBondContact O-CD 3.47Š|
| 80 | S | 64.8 | Low | 61.7 | Low | 108 Ų | 108 | 89.4 Ų | 89.4 | 76% | 0.755 | 49% | 0.49 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -83.9 | -14 | -177.6 | -58.7 | 0 | 0 | 0 | 0 | 113.7 | D78 | D78-S80 PolarHBondContact O-N 3.41Š|
| 81 | K | 62.9 | Low | 62.1 | Low | 138 Ų | 138 | 91.6 Ų | 91.6 | 60% | 0.6 | 49% | 0.489 | S | S | * | . | trans | -124.3 | 92.4 | 177.4 | -71.1 | -175.5 | -175 | 175 | 0 | 110.6 | D78 E83 D84 | D78-K81 PolarHBondContact O-N 3.33Å; K81-E83 PolarHBondContact O-N 3.16Å; K81-E83 VanDerWaalsContact O-N 3.08Å; K81-D84 PolarHBondContact O-N 3.49Å | ||
| 82 | P | 64.2 | Low | 62.3 | Low | 91 Ų | 91 | 88.2 Ų | 88.2 | 59% | 0.591 | 48% | 0.478 | S | S | * | . | H | α-helix | trans | -61.6 | -20.3 | -178 | 25.2 | -34.3 | 0 | 0 | 0 | 113.4 | L86 | P82-L86 PolarHBondContact O-N 3Å; P82-L86 VanDerWaalsContact O-N 3.11Å |
| 83 | E | 63 | Low | 63 | Low | 92 Ų | 92 | 91.4 Ų | 91.4 | 43% | 0.43 | 49% | 0.486 | S | S | . | . | H | α-helix | trans | -66.2 | -40.2 | 178.4 | -61.2 | -174.2 | 169.8 | 0 | 0 | 113.1 | K81 K87 W149 | K81-E83 PolarHBondContact O-N 3.16Å; K81-E83 VanDerWaalsContact O-N 3.08Å; E83-K87 WeakPolarHBondContact O-CG 3.31Å; E83-K87 PolarHBondContact O-N 3.36Å; E83-K87 VanDerWaalsContact O-N 3.15Å; E83-W149 HydrophobicContact CG-CH2 3.88Å; E83-W149 HydrophobicContact CG-CZ2 3.94Å; E83-W149 WeakPolarHBondContact OE1-CH2 3.41Å; E83-W149 WeakPolarHBondContact OE1-CZ2 3.46Å; E83-W149 WeakPolarHBondContact OE2-CZ2 3.31Å |
| 84 | D | 63.7 | Low | 64.3 | Low | 60 Ų | 60 | 91.3 Ų | 91.3 | 32% | 0.321 | 49% | 0.49 | S | S | . | . | H | α-helix | trans | -79.4 | -28.5 | -178.6 | -71.6 | -23.7 | 0 | 0 | 0 | 111.6 | K81 K87 M88 | K81-D84 PolarHBondContact O-N 3.49Å; D84-K87 PolarHBondContact O-N 3.06Å; D84-K87 IonicContact OD1-NZ 2.79Å; D84-K87 PolarHBondContact OD1-NZ 3.49Å; D84-K87 VanDerWaalsContact OD1-NZ 3.16Å; D84-M88 WeakPolarHBondContact O-CG 3.34Å; D84-M88 PolarHBondContact O-N 3.01Å |
| 85 | L | 64.3 | Low | 65.8 | Low | 67 Ų | 67 | 86.3 Ų | 86.3 | 35% | 0.351 | 47% | 0.469 | S | S | . | . | H | α-helix | trans | -67.1 | -39.5 | 171.7 | -169.4 | 142.5 | 0 | 0 | 0 | 111.7 | V77 M88 S89 | V77-L85 HydrophobicContact CG1-CB 4.05Å; V77-L85 HydrophobicContact CG1-CD1 4.35Å; V77-L85 HydrophobicContact CG1-CG 4.46Å; L85-M88 PolarHBondContact O-N 3.25Å; L85-S89 WeakPolarHBondContact O-CB 3.38Å; L85-S89 PolarHBondContact O-N 2.9Å |
| 86 | L | 65.8 | Low | 66.9 | Low | 60 Ų | 60 | 87.5 Ų | 87.5 | 31% | 0.314 | 47% | 0.466 | S | S | . | . | H | α-helix | trans | -64 | -43.5 | 173.5 | -87.3 | 155.6 | 0 | 0 | 0 | 111.7 | P82 M88 S89 K90 | P82-L86 PolarHBondContact O-N 3Å; P82-L86 VanDerWaalsContact O-N 3.11Å; L86-M88 PolarHBondContact O-N 3.08Å; L86-S89 PolarHBondContact O-N 3.42Å; L86-K90 WeakPolarHBondContact O-CB 3.41Å; L86-K90 WeakPolarHBondContact O-CG 3.03Å; L86-K90 PolarHBondContact O-N 2.98Å; L86-K90 VanDerWaalsContact O-N 3.1Å |
| 87 | K | 66.1 | Low | 68.2 | Low | 61 Ų | 61 | 78.7 Ų | 78.7 | 27% | 0.265 | 43% | 0.428 | S | S | . | . | H | α-helix | trans | -61 | -45 | 176.3 | -70.9 | 170.8 | -167.8 | 164.7 | 0 | 112.5 | E83 D84 K91 W149 | E83-K87 WeakPolarHBondContact O-CG 3.31Å; E83-K87 PolarHBondContact O-N 3.36Å; E83-K87 VanDerWaalsContact O-N 3.15Å; D84-K87 PolarHBondContact O-N 3.06Å; D84-K87 IonicContact OD1-NZ 2.79Å; D84-K87 PolarHBondContact OD1-NZ 3.49Å; D84-K87 VanDerWaalsContact OD1-NZ 3.16Å; K87-K91 PolarHBondContact O-N 3.11Å; K87-K91 VanDerWaalsContact O-N 3.11Å; K87-W149 HydrophobicContact CD-CB 4.47Å; K87-W149 VanDerWaalsContact CE-CG 3.49Å; K87-W149 HydrophobicContact CG-CB 4.42Å |
| 88 | M | 62 | Low | 69.8 | Low | 93 Ų | 93 | 80.6 Ų | 80.6 | 46% | 0.458 | 43% | 0.434 | S | S | . | . | H | α-helix | trans | -73.2 | -36.4 | -179.3 | -66.6 | -171.9 | -151.8 | 0 | 0 | 112.4 | V77 D84 L85 L86 K90 | V77-M88 HydrophobicContact CG2-CE 4.47Å; V77-M88 HydrophobicContact CG2-SD 3.63Å; D84-M88 WeakPolarHBondContact O-CG 3.34Å; D84-M88 PolarHBondContact O-N 3.01Å; L85-M88 PolarHBondContact O-N 3.25Å; L86-M88 PolarHBondContact O-N 3.08Å; M88-K90 VanDerWaalsContact C-N 3.27Å; M88-K90 PolarHBondContact O-N 3.15Å |
| 89 | S | 67.6 | Low | 71.3 | Confident | 25 Ų | 25 | 74.4 Ų | 74.4 | 18% | 0.175 | 40% | 0.401 | C | S | . | . | H | α-helix | trans | -69 | -24.7 | 177.3 | -179 | 0 | 0 | 0 | 0 | 113.5 | L85 L86 | L85-S89 WeakPolarHBondContact O-CB 3.38Å; L85-S89 PolarHBondContact O-N 2.9Å; L86-S89 PolarHBondContact O-N 3.42Å |
| 90 | K | 68.6 | Low | 72.5 | Confident | 46 Ų | 46 | 70.6 Ų | 70.6 | 20% | 0.2 | 38% | 0.375 | C | S | . | . | H | α-helix | trans | -108.4 | 3 | -175.7 | -56.2 | -66.4 | 174 | 147.1 | 0 | 113.2 | L86 M88 G92 R93 L95 G145 E167 | L86-K90 WeakPolarHBondContact O-CB 3.41Å; L86-K90 WeakPolarHBondContact O-CG 3.03Å; L86-K90 PolarHBondContact O-N 2.98Å; L86-K90 VanDerWaalsContact O-N 3.1Å; M88-K90 VanDerWaalsContact C-N 3.27Å; M88-K90 PolarHBondContact O-N 3.15Å; K90-G92 PolarHBondContact O-N 2.68Å; K90-R93 PolarHBondContact O-N 3.19Å; K90-L95 HydrophobicContact CB-CD1 4.15Å; K90-L95 HydrophobicContact CG-CD1 4.13Å; K90-G145 VanDerWaalsContact O-CA 3.3Å; K90-G145 WeakPolarHBondContact O-CA 3.26Å; K90-G145 PolarHBondContact O-N 3.09Å; K90-E167 WeakPolarHBondContact CD-OE1 3.4Å; K90-E167 WeakPolarHBondContact CE-OE1 3.38Å; K90-E167 VanDerWaalsContact CE-OE2 3.24Å; K90-E167 WeakPolarHBondContact CE-OE2 3.27Å; K90-E167 VanDerWaalsContact NZ-CD 3.27Å; K90-E167 IonicContact NZ-OE1 3.6Å; K90-E167 PolarHBondContact NZ-OE1 3.38Å; K90-E167 IonicContact NZ-OE2 3.16Å; K90-E167 PolarHBondContact NZ-OE2 2.88Å; K90-E167 VanDerWaalsContact NZ-OE2 3.09Å |
| 91 | K | 66.5 | Low | 73.5 | Confident | 148 Ų | 148 | 65.5 Ų | 65.5 | 64% | 0.643 | 34% | 0.34 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -62.2 | 120.5 | 171.9 | -168.9 | 176.1 | -176.7 | 179.8 | 0 | 110 | K87 R93 D144 | K87-K91 PolarHBondContact O-N 3.11Å; K87-K91 VanDerWaalsContact O-N 3.11Å; K91-R93 VanDerWaalsContact C-N 3.3Å; K91-R93 PolarHBondContact O-N 2.89Å; K91-D144 WeakPolarHBondContact CA-OD1 3.41Å |
| 92 | G | 65.3 | Low | 74.4 | Confident | 60 Ų | 60 | 59.8 Ų | 59.8 | 62% | 0.619 | 32% | 0.317 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 76.3 | 11.1 | -176.1 | 0 | 0 | 0 | 0 | 0 | 115 | K90 D144 | K90-G92 PolarHBondContact O-N 2.68Å; G92-D144 PolarHBondContact N-OD1 2.9Å |
| 93 | R | 73.8 | Confident | 74.8 | Confident | 103 Ų | 103 | 58.5 Ų | 58.5 | 39% | 0.389 | 32% | 0.321 | S | S | . | . | S | Bend | trans | -107.8 | 143.7 | 168.2 | -62.8 | -171.1 | -173.7 | -157.9 | 4.5 | 109.9 | K90 K91 L95 R143 G145 | K90-R93 PolarHBondContact O-N 3.19Å; K91-R93 VanDerWaalsContact C-N 3.3Å; K91-R93 PolarHBondContact O-N 2.89Å; R93-L95 PolarHBondContact O-N 3.43Å; R93-R143 CarbonylContact C-O 3.4Å; R93-G145 PolarHBondContact O-N 3.29Å |
| 94 | T | 80.9 | Confident | 75 | Confident | 112 Ų | 112 | 61.1 Ų | 61.1 | 69% | 0.687 | 34% | 0.338 | S | S | * | . | trans | -66.3 | 132.1 | 172 | 49.6 | 0 | 0 | 0 | 0 | 109.9 | L142 | T94-L142 CarbonylContact C-O 3.57Å; T94-L142 WeakPolarHBondContact CA-O 3.44Å | ||
| 95 | L | 85.4 | Confident | 75.5 | Confident | 9 Ų | 9 | 58.6 Ų | 58.6 | 5% | 0.047 | 33% | 0.325 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125 | 130 | 178.5 | -162.8 | 151.9 | 0 | 0 | 0 | 109.7 | K90 R93 V97 L142 A148 V166 E167 | K90-L95 HydrophobicContact CB-CD1 4.15Å; K90-L95 HydrophobicContact CG-CD1 4.13Å; R93-L95 PolarHBondContact O-N 3.43Å; L95-V97 HydrophobicContact CD2-CG2 3.58Å; L95-L142 PolarHBondContact N-O 2.97Å; L95-L142 PolarHBondContact O-N 3.39Å; L95-A148 HydrophobicContact CD1-CB 3.93Å; L95-A148 HydrophobicContact CD2-CB 3.82Å; L95-A148 HydrophobicContact CG-CB 4.3Å; L95-V166 HydrophobicContact CD1-CG1 4.43Å; L95-V166 HydrophobicContact CD2-CG1 3.73Å; L95-E167 HydrophobicContact CD1-CG 3.86Å; L95-E167 WeakPolarHBondContact CD1-OE1 3.25Å; L95-E167 HydrophobicContact CD2-CG 4.3Å; L95-E167 HydrophobicContact CG-CG 4.08Å |
| 96 | M | 87.3 | Confident | 76.2 | Confident | 111 Ų | 111 | 58.2 Ų | 58.2 | 55% | 0.547 | 33% | 0.327 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.2 | 120.8 | 176.8 | -69.1 | -177.3 | -87.3 | 0 | 0 | 110.4 | F98 I139 F140 M141 | M96-F98 HydrophobicContact CB-CE2 4.49Å; M96-I139 HydrophobicContact CB-CG2 4.37Å; M96-F140 WeakPolarHBondContact CA-O 3.19Å; M96-M141 HydrophobicContact CG-CG 4.32Å |
| 97 | V | 88.5 | Confident | 76.9 | Confident | 0 Ų | 0 | 60.5 Ų | 60.5 | 0% | 0 | 34% | 0.336 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.3 | 125.2 | 176 | 178.1 | 0 | 0 | 0 | 0 | 109 | L95 I139 F140 L142 A148 L155 V164 V166 | L95-V97 HydrophobicContact CD2-CG2 3.58Å; V97-I139 WeakPolarHBondContact O-CA 3.38Å; V97-F140 HydrophobicContact CB-CB 4.49Å; V97-F140 PolarHBondContact N-O 2.87Å; V97-F140 PolarHBondContact O-N 3.43Å; V97-L142 HydrophobicContact CB-CD1 4.18Å; V97-L142 HydrophobicContact CG2-CD1 3.69Å; V97-A148 HydrophobicContact CG2-CB 4.43Å; V97-L155 HydrophobicContact CG1-CD1 4.17Å; V97-V164 HydrophobicContact CG1-CG1 3.43Å; V97-V164 VanDerWaalsContact CG1-CG1 3.43Å; V97-V166 HydrophobicContact CG1-CG2 4.18Å; V97-V166 HydrophobicContact CG2-CG2 4.26Å |
| 98 | F | 88.4 | Confident | 77.7 | Confident | 62 Ų | 62 | 65.1 Ų | 65.1 | 27% | 0.272 | 36% | 0.356 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -96 | 124.7 | 175.6 | -60.9 | -96.2 | 0 | 0 | 0 | 109.3 | M96 I139 V164 T165 | M96-F98 HydrophobicContact CB-CE2 4.49Å; F98-I139 HydrophobicContact CD1-CD1 3.98Å; F98-I139 HydrophobicContact CD1-CG1 3.66Å; F98-I139 HydrophobicContact CE1-CD1 3.4Å; F98-I139 VanDerWaalsContact CE1-CD1 3.4Å; F98-I139 HydrophobicContact CE1-CG1 3.64Å; F98-I139 HydrophobicContact CZ-CD1 4.2Å; F98-V164 CarbonylContact O-C 3.55Å; F98-V164 WeakPolarHBondContact O-CA 3.15Å; F98-T165 PolarHBondContact N-O 3.42Å; F98-T165 PolarHBondContact O-N 2.81Å |
| 99 | A | 87.9 | Confident | 78.8 | Confident | 0 Ų | 0 | 65 Ų | 65 | 0% | 0 | 36% | 0.355 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.2 | 131.9 | 174.3 | 0 | 0 | 0 | 0 | 0 | 109.9 | W117 V138 F140 L155 | A99-W117 HydrophobicContact CB-CZ3 4.38Å; A99-V138 PolarHBondContact N-O 2.77Å; A99-V138 PolarHBondContact O-N 3.25Å; A99-F140 HydrophobicContact CB-CD2 4.33Å; A99-F140 HydrophobicContact CB-CE2 4.05Å; A99-L155 HydrophobicContact CB-CD1 4.31Å |
| 100 | T | 86.4 | Confident | 79.6 | Confident | 36 Ų | 36 | 63.8 Ų | 63.8 | 22% | 0.221 | 35% | 0.346 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.8 | 125 | 170.8 | -58.2 | 0 | 0 | 0 | 0 | 109.1 | N136 A162 D163 | T100-N136 WeakPolarHBondContact CA-O 3.43Å; T100-A162 HydrophobicContact CG2-CB 4.15Å; T100-A162 PolarHBondContact O-N 2.95Å; T100-D163 PolarHBondContact N-O 3.49Å |
| 101 | V | 85.6 | Confident | 80.4 | Confident | 2 Ų | 2 | 65.4 Ų | 65.4 | 1% | 0.012 | 36% | 0.355 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.8 | 129.4 | 176.2 | -173.7 | 0 | 0 | 0 | 0 | 109.2 | P105 T110 I113 T114 W117 N136 R160 | V101-P105 HydrophobicContact CB-CG 4.29Å; V101-P105 HydrophobicContact CG1-CG 3.95Å; V101-T110 HydrophobicContact CG2-CG2 4.17Å; V101-I113 HydrophobicContact CG1-CD1 4.21Å; V101-T114 HydrophobicContact CG2-CG2 4.12Å; V101-W117 HydrophobicContact CG2-CH2 4.03Å; V101-W117 HydrophobicContact CG2-CZ3 4.11Å; V101-N136 PolarHBondContact N-O 2.87Å; V101-R160 WeakPolarHBondContact CG1-O 3.3Å |
| 102 | S | 81.8 | Confident | 81.5 | Confident | 18 Ų | 18 | 64.8 Ų | 64.8 | 13% | 0.126 | 35% | 0.354 | C | S | . | . | S | Bend | trans | -76.2 | 149.7 | 178.4 | 69.3 | 0 | 0 | 0 | 0 | 111.9 | R160 | S102-R160 PolarHBondContact N-O 3.38Å; S102-R160 VanDerWaalsContact OG-C 3.29Å; S102-R160 WeakPolarHBondContact OG-CA 3.18Å; S102-R160 PolarHBondContact OG-O 3.49Å |
| 103 | G | 72.8 | Confident | 82.5 | Confident | 64 Ų | 64 | 63.4 Ų | 63.4 | 66% | 0.66 | 33% | 0.332 | S | S | * | . | S | Bend | trans | 102 | 15.4 | 169.4 | 0 | 0 | 0 | 0 | 0 | 116.2 | P105 | G103-P105 VanDerWaalsContact C-N 3.3Š|
| 104 | N | 66.9 | Low | 83.2 | Confident | 147 Ų | 147 | 58.5 Ų | 58.5 | 79% | 0.786 | 31% | 0.314 | S | S | * | . | trans | 41.9 | 51 | -175.3 | -65.9 | -28.6 | 0 | 0 | 0 | 113.6 | ||||
| 105 | P | 73 | Confident | 83.6 | Confident | 7 Ų | 7 | 54.4 Ų | 54.4 | 5% | 0.045 | 29% | 0.294 | C | S | . | . | trans | -63.5 | 156.3 | 176.3 | 29.1 | -36.2 | 0 | 0 | 0 | 111.4 | V101 G103 E109 T110 | V101-P105 HydrophobicContact CB-CG 4.29Å; V101-P105 HydrophobicContact CG1-CG 3.95Å; G103-P105 VanDerWaalsContact C-N 3.3Å; P105-E109 WeakPolarHBondContact CA-OE2 3.29Å; P105-E109 HydrophobicContact CB-CB 3.84Å; P105-T110 VanDerWaalsContact CG-OG1 3.24Å; P105-T110 WeakPolarHBondContact CG-OG1 3.35Å | ||
| 106 | S | 79.5 | Confident | 83.8 | Confident | 58 Ų | 58 | 59.9 Ų | 59.9 | 41% | 0.406 | 32% | 0.322 | S | S | . | . | trans | -65.9 | 158.7 | 166 | 65.8 | 0 | 0 | 0 | 0 | 110.9 | K108 E109 T110 | S106-K108 PolarHBondContact O-N 3.42Å; S106-E109 PolarHBondContact N-OE2 2.85Å; S106-E109 PolarHBondContact O-N 2.83Å; S106-E109 VanDerWaalsContact O-N 3.09Å; S106-E109 WeakPolarHBondContact OG-CG 3.46Å; S106-E109 PolarHBondContact OG-OE2 3.24Å; S106-T110 PolarHBondContact O-N 2.81Å; S106-T110 PolarHBondContact O-OG1 3.02Å | ||
| 107 | E | 80.4 | Confident | 83.9 | Confident | 108 Ų | 108 | 55.1 Ų | 55.1 | 51% | 0.505 | 30% | 0.299 | S | S | . | . | H | α-helix | trans | -53.5 | -38.2 | 178.8 | -175.4 | 174.8 | -173.8 | 0 | 0 | 112.5 | T110 E111 V132 | E107-T110 PolarHBondContact O-N 2.8Å; E107-E111 WeakPolarHBondContact O-CG 3.43Å; E107-E111 PolarHBondContact O-N 3.48Å; E107-V132 HydrophobicContact CG-CG1 4.44Å |
| 108 | K | 83.5 | Confident | 83.9 | Confident | 158 Ų | 158 | 58.2 Ų | 58.2 | 69% | 0.687 | 31% | 0.313 | S | S | * | . | H | α-helix | trans | -64.9 | -44.1 | 177.3 | -64.6 | -173.6 | 177 | -176.5 | 0 | 113 | S106 T110 E111 E112 | S106-K108 PolarHBondContact O-N 3.42Å; K108-T110 VanDerWaalsContact C-N 3.32Å; K108-T110 PolarHBondContact O-N 3.28Å; K108-E111 WeakPolarHBondContact O-CB 3.44Å; K108-E111 PolarHBondContact O-N 3.12Å; K108-E112 WeakPolarHBondContact O-CG 3.39Å; K108-E112 PolarHBondContact O-N 3.29Å |
| 109 | E | 85.3 | Confident | 83.9 | Confident | 91 Ų | 91 | 57.2 Ų | 57.2 | 43% | 0.425 | 32% | 0.321 | S | S | . | . | H | α-helix | trans | -67.3 | -36.3 | 177.3 | -69.7 | 168.5 | 135.9 | 0 | 0 | 111.2 | P105 S106 E111 E112 I113 | P105-E109 WeakPolarHBondContact CA-OE2 3.29Å; P105-E109 HydrophobicContact CB-CB 3.84Å; S106-E109 PolarHBondContact N-OE2 2.85Å; S106-E109 PolarHBondContact O-N 2.83Å; S106-E109 VanDerWaalsContact O-N 3.09Å; S106-E109 WeakPolarHBondContact OG-CG 3.46Å; S106-E109 PolarHBondContact OG-OE2 3.24Å; E109-E111 VanDerWaalsContact C-N 3.35Å; E109-E112 PolarHBondContact O-N 3.08Å; E109-I113 WeakPolarHBondContact O-CB 3.35Å; E109-I113 WeakPolarHBondContact O-CD1 3.33Å; E109-I113 WeakPolarHBondContact O-CG1 3.28Å; E109-I113 PolarHBondContact O-N 2.86Å |
| 110 | T | 84.2 | Confident | 84 | Confident | 0 Ų | 0 | 59.9 Ų | 59.9 | 0% | 0 | 34% | 0.339 | C | S | . | . | H | α-helix | trans | -63.6 | -41.3 | 173.2 | -67.6 | 0 | 0 | 0 | 0 | 111.3 | V101 P105 S106 E107 K108 T114 S135 V138 | V101-T110 HydrophobicContact CG2-CG2 4.17Å; P105-T110 VanDerWaalsContact CG-OG1 3.24Å; P105-T110 WeakPolarHBondContact CG-OG1 3.35Å; S106-T110 PolarHBondContact O-N 2.81Å; S106-T110 PolarHBondContact O-OG1 3.02Å; E107-T110 PolarHBondContact O-N 2.8Å; K108-T110 VanDerWaalsContact C-N 3.32Å; K108-T110 PolarHBondContact O-N 3.28Å; T110-T114 HydrophobicContact CG2-CG2 4.25Å; T110-T114 VanDerWaalsContact O-CB 3.29Å; T110-T114 WeakPolarHBondContact O-CB 3.33Å; T110-T114 VanDerWaalsContact O-CG2 3.26Å; T110-T114 WeakPolarHBondContact O-CG2 3.47Å; T110-T114 PolarHBondContact O-N 3.44Å; T110-T114 PolarHBondContact O-OG1 3.47Å; T110-S135 WeakPolarHBondContact CB-O 3.42Å; T110-S135 PolarHBondContact OG1-O 3.3Å; T110-V138 HydrophobicContact CG2-CG2 3.52Å |
| 111 | E | 85.9 | Confident | 84.2 | Confident | 79 Ų | 79 | 58.3 Ų | 58.3 | 37% | 0.369 | 33% | 0.329 | S | S | . | . | H | α-helix | trans | -61.8 | -43.5 | 174.8 | -78.6 | 179.1 | -177.4 | 0 | 0 | 112.7 | E107 K108 E109 T114 G115 V132 | E107-E111 WeakPolarHBondContact O-CG 3.43Å; E107-E111 PolarHBondContact O-N 3.48Å; K108-E111 WeakPolarHBondContact O-CB 3.44Å; K108-E111 PolarHBondContact O-N 3.12Å; E109-E111 VanDerWaalsContact C-N 3.35Å; E111-T114 PolarHBondContact O-OG1 3.05Å; E111-G115 WeakPolarHBondContact O-CA 3.41Å; E111-G115 PolarHBondContact O-N 3.37Å; E111-V132 HydrophobicContact CG-CG2 3.88Å |
| 112 | E | 87.9 | Confident | 84.3 | Confident | 136 Ų | 136 | 65 Ų | 65 | 64% | 0.636 | 36% | 0.358 | S | S | * | . | H | α-helix | trans | -65.1 | -49.1 | 177.7 | -71.4 | 174.1 | -171.5 | 0 | 0 | 111.4 | K108 E109 T114 G115 L116 | K108-E112 WeakPolarHBondContact O-CG 3.39Å; K108-E112 PolarHBondContact O-N 3.29Å; E109-E112 PolarHBondContact O-N 3.08Å; E112-T114 PolarHBondContact O-N 3.11Å; E112-G115 PolarHBondContact O-N 3.32Å; E112-L116 WeakPolarHBondContact O-CG 3.36Å; E112-L116 PolarHBondContact O-N 2.93Å |
| 113 | I | 88.1 | Confident | 84.7 | Confident | 30 Ų | 30 | 70.8 Ų | 70.8 | 15% | 0.154 | 39% | 0.388 | C | S | . | . | H | α-helix | trans | -62 | -46.4 | 179.2 | -67.6 | 165.7 | 0 | 0 | 0 | 110.7 | V101 E109 G115 L116 W117 | V101-I113 HydrophobicContact CG1-CD1 4.21Å; E109-I113 WeakPolarHBondContact O-CB 3.35Å; E109-I113 WeakPolarHBondContact O-CD1 3.33Å; E109-I113 WeakPolarHBondContact O-CG1 3.28Å; E109-I113 PolarHBondContact O-N 2.86Å; I113-G115 VanDerWaalsContact C-N 3.32Å; I113-L116 WeakPolarHBondContact O-CB 3.48Å; I113-L116 PolarHBondContact O-N 3.29Å; I113-W117 HydrophobicContact CG2-CD2 4.29Å; I113-W117 HydrophobicContact CG2-CH2 4.24Å; I113-W117 HydrophobicContact CG2-CZ2 3.66Å; I113-W117 PolarHBondContact O-N 3.08Å; I113-W117 VanDerWaalsContact O-N 3.08Å |
| 114 | T | 87.8 | Confident | 85.4 | Confident | 0 Ų | 0 | 70.1 Ų | 70.1 | 0% | 0 | 38% | 0.377 | C | S | . | . | H | α-helix | trans | -74.6 | -24.3 | -179.7 | 61 | 0 | 0 | 0 | 0 | 112.8 | V101 T110 E111 E112 W117 Q118 V138 F140 | V101-T114 HydrophobicContact CG2-CG2 4.12Å; T110-T114 HydrophobicContact CG2-CG2 4.25Å; T110-T114 VanDerWaalsContact O-CB 3.29Å; T110-T114 WeakPolarHBondContact O-CB 3.33Å; T110-T114 VanDerWaalsContact O-CG2 3.26Å; T110-T114 WeakPolarHBondContact O-CG2 3.47Å; T110-T114 PolarHBondContact O-N 3.44Å; T110-T114 PolarHBondContact O-OG1 3.47Å; E111-T114 PolarHBondContact O-OG1 3.05Å; E112-T114 PolarHBondContact O-N 3.11Å; T114-W117 HydrophobicContact CG2-CE3 3.98Å; T114-W117 HydrophobicContact CG2-CZ3 4.16Å; T114-W117 PolarHBondContact O-N 3.2Å; T114-Q118 WeakPolarHBondContact O-CB 3.39Å; T114-Q118 PolarHBondContact O-N 3.45Å; T114-V138 HydrophobicContact CG2-CB 3.93Å; T114-V138 HydrophobicContact CG2-CG1 4.02Å; T114-V138 HydrophobicContact CG2-CG2 3.46Å; T114-V138 VanDerWaalsContact CG2-CG2 3.46Å; T114-F140 HydrophobicContact CG2-CZ 4.49Å |
| 115 | G | 88.3 | Confident | 86.3 | Confident | 27 Ų | 27 | 70.3 Ų | 70.3 | 28% | 0.278 | 38% | 0.377 | S | S | . | . | H | α-helix | trans | -64.5 | -41.1 | 166.8 | 0 | 0 | 0 | 0 | 0 | 112.1 | E111 E112 I113 Q118 G119 | E111-G115 WeakPolarHBondContact O-CA 3.41Å; E111-G115 PolarHBondContact O-N 3.37Å; E112-G115 PolarHBondContact O-N 3.32Å; I113-G115 VanDerWaalsContact C-N 3.32Å; G115-Q118 PolarHBondContact O-N 3.42Å; G115-G119 PolarHBondContact O-N 3.16Å |
| 116 | L | 89.7 | Confident | 86.9 | Confident | 123 Ų | 123 | 72.4 Ų | 72.4 | 64% | 0.644 | 39% | 0.385 | S | S | * | . | H | α-helix | trans | -64.1 | -40.2 | 173.2 | -68.7 | 172.1 | 0 | 0 | 0 | 112 | E112 I113 G119 S120 | E112-L116 WeakPolarHBondContact O-CG 3.36Å; E112-L116 PolarHBondContact O-N 2.93Å; I113-L116 WeakPolarHBondContact O-CB 3.48Å; I113-L116 PolarHBondContact O-N 3.29Å; L116-G119 PolarHBondContact O-N 3.46Å; L116-S120 WeakPolarHBondContact O-CB 3.24Å; L116-S120 PolarHBondContact O-N 2.9Å; L116-S120 PolarHBondContact O-OG 3.1Å |
| 117 | W | 89.8 | Confident | 87.1 | Confident | 12 Ų | 12 | 73.7 Ų | 73.7 | 5% | 0.045 | 39% | 0.387 | C | S | . | . | H | α-helix | trans | -66.1 | -43.5 | 175.2 | -63.3 | -9.8 | 0 | 0 | 0 | 111.6 | A99 V101 I113 T114 G119 S120 L121 F140 F154 L155 Q158 R160 C161 | A99-W117 HydrophobicContact CB-CZ3 4.38Å; V101-W117 HydrophobicContact CG2-CH2 4.03Å; V101-W117 HydrophobicContact CG2-CZ3 4.11Å; I113-W117 HydrophobicContact CG2-CD2 4.29Å; I113-W117 HydrophobicContact CG2-CH2 4.24Å; I113-W117 HydrophobicContact CG2-CZ2 3.66Å; I113-W117 PolarHBondContact O-N 3.08Å; I113-W117 VanDerWaalsContact O-N 3.08Å; T114-W117 HydrophobicContact CG2-CE3 3.98Å; T114-W117 HydrophobicContact CG2-CZ3 4.16Å; T114-W117 PolarHBondContact O-N 3.2Å; W117-G119 PolarHBondContact O-N 3.03Å; W117-S120 PolarHBondContact O-N 3.48Å; W117-L121 WeakPolarHBondContact O-CB 3.13Å; W117-L121 VanDerWaalsContact O-CG 3.23Å; W117-L121 WeakPolarHBondContact O-CG 3.35Å; W117-L121 PolarHBondContact O-N 3.11Å; W117-F140 HydrophobicContact CB-CZ 4.38Å; W117-F140 HydrophobicContact CE3-CE2 4.25Å; W117-F140 HydrophobicContact CE3-CZ 4.15Å; W117-F154 HydrophobicContact CB-CE1 4.39Å; W117-F154 HydrophobicContact CG-CE1 4.5Å; W117-L155 HydrophobicContact CD2-CD2 3.89Å; W117-L155 HydrophobicContact CE3-CD2 3.39Å; W117-L155 HydrophobicContact CG-CD2 4.4Å; W117-L155 HydrophobicContact CZ3-CD2 3.84Å; W117-Q158 HydrophobicContact CZ2-CB 3.93Å; W117-Q158 HydrophobicContact CZ2-CG 4.24Å; W117-R160 HydrophobicContact CZ2-CB 4.4Å; W117-C161 HydrophobicContact CH2-CB 4.03Å; W117-C161 HydrophobicContact CZ2-CB 4.46Å |
| 118 | Q | 88.8 | Confident | 87.4 | Confident | 64 Ų | 64 | 68.9 Ų | 68.9 | 30% | 0.299 | 37% | 0.365 | S | S | . | . | H | α-helix | trans | -58.3 | -47.6 | 173.8 | -176 | -172.1 | 3 | 0 | 0 | 111 | T114 G115 S120 L121 F122 V128 | T114-Q118 WeakPolarHBondContact O-CB 3.39Å; T114-Q118 PolarHBondContact O-N 3.45Å; G115-Q118 PolarHBondContact O-N 3.42Å; Q118-S120 VanDerWaalsContact C-N 3.31Å; Q118-S120 PolarHBondContact O-N 3.5Å; Q118-L121 PolarHBondContact O-N 3.06Å; Q118-F122 VanDerWaalsContact O-CB 3.25Å; Q118-F122 WeakPolarHBondContact O-CB 3.49Å; Q118-F122 PolarHBondContact O-N 3.06Å; Q118-V128 HydrophobicContact CG-CG2 4.27Å |
| 119 | G | 89.3 | Confident | 87.6 | Confident | 42 Ų | 42 | 66.1 Ų | 66.1 | 43% | 0.433 | 36% | 0.355 | S | S | . | . | H | α-helix | trans | -62.3 | -38.1 | 177.1 | 0 | 0 | 0 | 0 | 0 | 112.7 | G115 L116 W117 F122 N123 | G115-G119 PolarHBondContact O-N 3.16Å; L116-G119 PolarHBondContact O-N 3.46Å; W117-G119 PolarHBondContact O-N 3.03Å; G119-F122 PolarHBondContact O-N 3.35Å; G119-N123 WeakPolarHBondContact O-CB 3.44Å; G119-N123 PolarHBondContact O-N 3.41Å |
| 120 | S | 89.8 | Confident | 87.8 | Confident | 56 Ų | 56 | 65.6 Ų | 65.6 | 39% | 0.392 | 35% | 0.349 | S | S | . | . | H | α-helix | trans | -66.1 | -43.2 | 176.2 | -58.8 | 0 | 0 | 0 | 0 | 112 | L116 W117 Q118 N123 A124 | L116-S120 WeakPolarHBondContact O-CB 3.24Å; L116-S120 PolarHBondContact O-N 2.9Å; L116-S120 PolarHBondContact O-OG 3.1Å; W117-S120 PolarHBondContact O-N 3.48Å; Q118-S120 VanDerWaalsContact C-N 3.31Å; Q118-S120 PolarHBondContact O-N 3.5Å; S120-N123 PolarHBondContact O-N 3.11Å; S120-A124 PolarHBondContact O-N 2.98Å |
| 121 | L | 89.2 | Confident | 88 | Confident | 3 Ų | 3 | 70 Ų | 70 | 2% | 0.016 | 37% | 0.368 | C | S | . | . | H | α-helix | trans | -68.5 | -39.4 | 177.3 | -69.9 | 170.8 | 0 | 0 | 0 | 111.4 | W117 Q118 A124 Y126 V128 V151 F154 | W117-L121 WeakPolarHBondContact O-CB 3.13Å; W117-L121 VanDerWaalsContact O-CG 3.23Å; W117-L121 WeakPolarHBondContact O-CG 3.35Å; W117-L121 PolarHBondContact O-N 3.11Å; Q118-L121 PolarHBondContact O-N 3.06Å; L121-A124 PolarHBondContact O-N 3.47Å; L121-Y126 HydrophobicContact CB-CD2 4.43Å; L121-Y126 HydrophobicContact CD2-CD2 3.88Å; L121-Y126 HydrophobicContact CD2-CE2 4.48Å; L121-Y126 VanDerWaalsContact O-CB 3.29Å; L121-Y126 WeakPolarHBondContact O-CB 3.14Å; L121-Y126 WeakPolarHBondContact O-CD2 3.22Å; L121-Y126 PolarHBondContact O-N 3.44Å; L121-V128 HydrophobicContact CB-CG2 3.8Å; L121-V128 HydrophobicContact CD1-CG1 4.44Å; L121-V128 HydrophobicContact CD1-CG2 4.02Å; L121-V151 HydrophobicContact CD1-CG1 3.9Å; L121-V151 HydrophobicContact CD2-CB 4.41Å; L121-V151 HydrophobicContact CD2-CG1 4.12Å; L121-V151 HydrophobicContact CD2-CG2 3.92Å; L121-F154 HydrophobicContact CD2-CD1 3.81Å; L121-F154 HydrophobicContact CD2-CE1 4.25Å; L121-F154 HydrophobicContact CD2-CG 4.29Å; L121-F154 HydrophobicContact CG-CD1 4.2Å; L121-F154 HydrophobicContact CG-CE1 4.19Å |
| 122 | F | 87.8 | Confident | 88 | Confident | 141 Ų | 141 | 68.1 Ų | 68.1 | 62% | 0.618 | 36% | 0.362 | S | S | * | . | H | α-helix | trans | -66.5 | -37.4 | 176.8 | -169.5 | -104 | 0 | 0 | 0 | 112.2 | Q118 G119 A124 N125 | Q118-F122 VanDerWaalsContact O-CB 3.25Å; Q118-F122 WeakPolarHBondContact O-CB 3.49Å; Q118-F122 PolarHBondContact O-N 3.06Å; G119-F122 PolarHBondContact O-N 3.35Å; F122-A124 PolarHBondContact O-N 3.41Å; F122-N125 WeakPolarHBondContact O-CA 3.45Å; F122-N125 PolarHBondContact O-N 3.21Å |
| 123 | N | 90.6 | Very high | 87.9 | Confident | 140 Ų | 140 | 65.6 Ų | 65.6 | 75% | 0.749 | 36% | 0.356 | S | S | * | . | H | α-helix | trans | -63.2 | -27.9 | 174.5 | -167.9 | 18.1 | 0 | 0 | 0 | 112.6 | G119 S120 N125 | G119-N123 WeakPolarHBondContact O-CB 3.44Å; G119-N123 PolarHBondContact O-N 3.41Å; S120-N123 PolarHBondContact O-N 3.11Å; N123-N125 PolarHBondContact O-N 2.95Å |
| 124 | A | 87.4 | Confident | 87.6 | Confident | 51 Ų | 51 | 65.5 Ų | 65.5 | 42% | 0.421 | 36% | 0.362 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -83.8 | 12.4 | 173 | 0 | 0 | 0 | 0 | 0 | 113.4 | S120 L121 F122 Y126 | S120-A124 PolarHBondContact O-N 2.98Å; L121-A124 PolarHBondContact O-N 3.47Å; F122-A124 PolarHBondContact O-N 3.41Å; A124-Y126 VanDerWaalsContact C-N 3.25Å; A124-Y126 HydrophobicContact CB-CD2 3.58Å; A124-Y126 HydrophobicContact CB-CE2 3.49Å; A124-Y126 VanDerWaalsContact CB-CE2 3.49Å; A124-Y126 HydrophobicContact CB-CG 4.44Å; A124-Y126 PolarHBondContact O-N 3.03Å |
| 125 | N | 85.3 | Confident | 87.4 | Confident | 150 Ų | 150 | 68.8 Ų | 68.8 | 80% | 0.802 | 39% | 0.385 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 61.2 | 26.4 | -174.1 | -62.5 | -35.8 | 0 | 0 | 0 | 114.5 | F122 N123 | F122-N125 WeakPolarHBondContact O-CA 3.45Å; F122-N125 PolarHBondContact O-N 3.21Å; N123-N125 PolarHBondContact O-N 2.95Å |
| 126 | Y | 86.3 | Confident | 87.3 | Confident | 52 Ų | 52 | 70.3 Ų | 70.3 | 20% | 0.204 | 39% | 0.387 | C | S | . | . | trans | -88.7 | 117.6 | 170.2 | -55.1 | -50.8 | 0 | 0 | 0 | 110.3 | L121 A124 V128 L147 E150 | L121-Y126 HydrophobicContact CB-CD2 4.43Å; L121-Y126 HydrophobicContact CD2-CD2 3.88Å; L121-Y126 HydrophobicContact CD2-CE2 4.48Å; L121-Y126 VanDerWaalsContact O-CB 3.29Å; L121-Y126 WeakPolarHBondContact O-CB 3.14Å; L121-Y126 WeakPolarHBondContact O-CD2 3.22Å; L121-Y126 PolarHBondContact O-N 3.44Å; A124-Y126 VanDerWaalsContact C-N 3.25Å; A124-Y126 HydrophobicContact CB-CD2 3.58Å; A124-Y126 HydrophobicContact CB-CE2 3.49Å; A124-Y126 VanDerWaalsContact CB-CE2 3.49Å; A124-Y126 HydrophobicContact CB-CG 4.44Å; A124-Y126 PolarHBondContact O-N 3.03Å; Y126-V128 PolarHBondContact O-N 2.86Å; Y126-L147 HydrophobicContact CD1-CB 4.46Å; Y126-L147 HydrophobicContact CD1-CD1 3.55Å; Y126-L147 HydrophobicContact CD1-CD2 4.21Å; Y126-L147 HydrophobicContact CD1-CG 4.28Å; Y126-L147 HydrophobicContact CE1-CB 4.44Å; Y126-L147 HydrophobicContact CE1-CD1 3.92Å; Y126-L147 HydrophobicContact CE1-CD2 3.65Å; Y126-L147 HydrophobicContact CE1-CG 4.2Å; Y126-E150 PolarHBondContact OH-OE2 3.07Å | ||
| 127 | D | 84 | Confident | 87.2 | Confident | 84 Ų | 84 | 69.7 Ų | 69.7 | 45% | 0.449 | 38% | 0.376 | S | S | . | . | trans | -79 | 98 | 173 | -173.4 | 17.9 | 0 | 0 | 0 | 109.7 | ||||
| 128 | V | 87 | Confident | 87.1 | Confident | 8 Ų | 8 | 69.1 Ų | 69.1 | 5% | 0.048 | 37% | 0.374 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.2 | 128.4 | -178.5 | -58.6 | 0 | 0 | 0 | 0 | 110.8 | Q118 L121 Y126 L142 | Q118-V128 HydrophobicContact CG-CG2 4.27Å; L121-V128 HydrophobicContact CB-CG2 3.8Å; L121-V128 HydrophobicContact CD1-CG1 4.44Å; L121-V128 HydrophobicContact CD1-CG2 4.02Å; Y126-V128 PolarHBondContact O-N 2.86Å; V128-L142 HydrophobicContact CG1-CG 4.02Å |
| 129 | Q | 87.8 | Confident | 87.2 | Confident | 99 Ų | 99 | 67.2 Ų | 67.2 | 46% | 0.463 | 37% | 0.365 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.3 | 127.6 | 172.6 | -61.3 | 179.5 | 12.2 | 0 | 0 | 109.3 | F131 F140 M141 | Q129-F131 HydrophobicContact CB-CE2 3.87Å; Q129-F131 HydrophobicContact CB-CZ 4.36Å; Q129-F140 CarbonylContact O-C 3.55Å; Q129-F140 WeakPolarHBondContact O-CA 3.48Å; Q129-M141 HydrophobicContact CB-CB 4.29Å; Q129-M141 HydrophobicContact CB-CE 4.25Å; Q129-M141 PolarHBondContact N-O 3.36Å; Q129-M141 PolarHBondContact O-N 2.86Å |
| 130 | R | 88 | Confident | 87.2 | Confident | 81 Ų | 81 | 65.2 Ų | 65.2 | 31% | 0.306 | 35% | 0.345 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.5 | 140.2 | 179.2 | 74.3 | 172.7 | -178.3 | 104.3 | 8.4 | 111.7 | V138 I139 F140 | R130-V138 HydrophobicContact CB-CG1 4.44Å; R130-I139 CarbonylContact C-O 3.49Å; R130-I139 WeakPolarHBondContact CA-O 3.4Å; R130-F140 HydrophobicContact CB-CD1 4.08Å; R130-F140 HydrophobicContact CB-CE1 3.91Å |
| 131 | F | 88.9 | Confident | 87.2 | Confident | 93 Ų | 93 | 65.5 Ų | 65.5 | 41% | 0.408 | 34% | 0.341 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.8 | 124.6 | 170.3 | -59.4 | -87.1 | 0 | 0 | 0 | 109.8 | Q129 V133 V138 I139 M141 | Q129-F131 HydrophobicContact CB-CE2 3.87Å; Q129-F131 HydrophobicContact CB-CZ 4.36Å; F131-V133 HydrophobicContact CB-CG2 4.32Å; F131-V138 WeakPolarHBondContact O-CA 3.48Å; F131-V138 WeakPolarHBondContact O-CG1 3.42Å; F131-I139 HydrophobicContact CB-CB 4.42Å; F131-I139 PolarHBondContact N-O 2.79Å; F131-I139 PolarHBondContact O-N 2.94Å; F131-M141 HydrophobicContact CD2-CE 4.23Å; F131-M141 HydrophobicContact CD2-CG 3.91Å; F131-M141 HydrophobicContact CD2-SD 4.07Å; F131-M141 HydrophobicContact CE2-CE 3.18Å; F131-M141 HydrophobicContact CE2-CG 3.71Å; F131-M141 HydrophobicContact CE2-SD 3.57Å; F131-M141 VanDerWaalsContact CE2-SD 3.57Å; F131-M141 HydrophobicContact CZ-CE 3.57Å; F131-M141 HydrophobicContact CZ-SD 4.34Å |
| 132 | V | 87 | Confident | 87.1 | Confident | 39 Ų | 39 | 65.6 Ų | 65.6 | 24% | 0.236 | 34% | 0.341 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -85 | 119.6 | 172.1 | -175.1 | 0 | 0 | 0 | 0 | 107.3 | E107 E111 G134 V138 | E107-V132 HydrophobicContact CG-CG1 4.44Å; E111-V132 HydrophobicContact CG-CG2 3.88Å; V132-G134 WeakPolarHBondContact CG1-O 3.45Å; V132-V138 HydrophobicContact CG2-CG2 4.13Å |
| 133 | V | 84.3 | Confident | 86.8 | Confident | 83 Ų | 83 | 65.3 Ų | 65.3 | 50% | 0.503 | 34% | 0.336 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.7 | -5.6 | -175.6 | -176.3 | 0 | 0 | 0 | 0 | 111.5 | F131 R137 I139 | F131-V133 HydrophobicContact CB-CG2 4.32Å; V133-R137 PolarHBondContact N-O 2.9Å; V133-R137 VanDerWaalsContact N-O 3.09Å; V133-I139 HydrophobicContact CB-CD1 4.34Å; V133-I139 HydrophobicContact CB-CG1 4.48Å; V133-I139 HydrophobicContact CG2-CD1 3.49Å; V133-I139 VanDerWaalsContact CG2-CD1 3.49Å; V133-I139 HydrophobicContact CG2-CG1 3.73Å |
| 134 | G | 82.6 | Confident | 86.4 | Confident | 28 Ų | 28 | 60.7 Ų | 60.7 | 29% | 0.289 | 31% | 0.311 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -172.1 | 178.4 | 171.1 | 0 | 0 | 0 | 0 | 0 | 111 | V132 N136 R137 | V132-G134 WeakPolarHBondContact CG1-O 3.45Å; G134-N136 PolarHBondContact O-N 3.23Å; G134-N136 VanDerWaalsContact O-N 3.09Å; G134-R137 PolarHBondContact N-O 3.48Å; G134-R137 PolarHBondContact O-N 3.42Å |
| 135 | S | 84.4 | Confident | 86 | Confident | 68 Ų | 68 | 58.5 Ų | 58.5 | 48% | 0.476 | 29% | 0.293 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -58.5 | -29.9 | -172.1 | -48.1 | 0 | 0 | 0 | 0 | 114.3 | T110 | T110-S135 WeakPolarHBondContact CB-O 3.42Å; T110-S135 PolarHBondContact OG1-O 3.3Å |
| 136 | N | 86.2 | Confident | 85.7 | Confident | 60 Ų | 60 | 52.6 Ų | 52.6 | 32% | 0.321 | 26% | 0.264 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -127.9 | 7.6 | -178.3 | 64.4 | -25.8 | 0 | 0 | 0 | 113.6 | T100 V101 G134 | T100-N136 WeakPolarHBondContact CA-O 3.43Å; V101-N136 PolarHBondContact N-O 2.87Å; G134-N136 PolarHBondContact O-N 3.23Å; G134-N136 VanDerWaalsContact O-N 3.09Å |
| 137 | R | 86 | Confident | 85.5 | Confident | 109 Ų | 109 | 52.3 Ų | 52.3 | 41% | 0.411 | 27% | 0.265 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.9 | 127.6 | -175.3 | -162.9 | 174.9 | 92.9 | 172.1 | 5.7 | 112 | V133 G134 | V133-R137 PolarHBondContact N-O 2.9Å; V133-R137 VanDerWaalsContact N-O 3.09Å; G134-R137 PolarHBondContact N-O 3.48Å; G134-R137 PolarHBondContact O-N 3.42Å |
| 138 | V | 88.6 | Confident | 85.5 | Confident | 0 Ų | 0 | 48.5 Ų | 48.5 | 0% | 0 | 25% | 0.246 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.5 | 143 | -179.1 | -179.9 | 0 | 0 | 0 | 0 | 110.1 | A99 T110 T114 R130 F131 V132 F140 | A99-V138 PolarHBondContact N-O 2.77Å; A99-V138 PolarHBondContact O-N 3.25Å; T110-V138 HydrophobicContact CG2-CG2 3.52Å; T114-V138 HydrophobicContact CG2-CB 3.93Å; T114-V138 HydrophobicContact CG2-CG1 4.02Å; T114-V138 HydrophobicContact CG2-CG2 3.46Å; T114-V138 VanDerWaalsContact CG2-CG2 3.46Å; R130-V138 HydrophobicContact CB-CG1 4.44Å; F131-V138 WeakPolarHBondContact O-CA 3.48Å; F131-V138 WeakPolarHBondContact O-CG1 3.42Å; V132-V138 HydrophobicContact CG2-CG2 4.13Å; V138-F140 HydrophobicContact CG1-CD2 4.47Å; V138-F140 HydrophobicContact CG1-CE2 4.02Å; V138-F140 HydrophobicContact CG1-CZ 4.08Å |
| 139 | I | 90.8 | Very high | 85.2 | Confident | 24 Ų | 24 | 50 Ų | 50 | 12% | 0.123 | 25% | 0.25 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.7 | 128.5 | 174.2 | -54.2 | -176.1 | 0 | 0 | 0 | 107.9 | M96 V97 F98 R130 F131 V133 M141 | M96-I139 HydrophobicContact CB-CG2 4.37Å; V97-I139 WeakPolarHBondContact O-CA 3.38Å; F98-I139 HydrophobicContact CD1-CD1 3.98Å; F98-I139 HydrophobicContact CD1-CG1 3.66Å; F98-I139 HydrophobicContact CE1-CD1 3.4Å; F98-I139 VanDerWaalsContact CE1-CD1 3.4Å; F98-I139 HydrophobicContact CE1-CG1 3.64Å; F98-I139 HydrophobicContact CZ-CD1 4.2Å; R130-I139 CarbonylContact C-O 3.49Å; R130-I139 WeakPolarHBondContact CA-O 3.4Å; F131-I139 HydrophobicContact CB-CB 4.42Å; F131-I139 PolarHBondContact N-O 2.79Å; F131-I139 PolarHBondContact O-N 2.94Å; V133-I139 HydrophobicContact CB-CD1 4.34Å; V133-I139 HydrophobicContact CB-CG1 4.48Å; V133-I139 HydrophobicContact CG2-CD1 3.49Å; V133-I139 VanDerWaalsContact CG2-CD1 3.49Å; V133-I139 HydrophobicContact CG2-CG1 3.73Å; I139-M141 HydrophobicContact CG2-CG 4.4Å |
| 140 | F | 89.7 | Confident | 85.1 | Confident | 0 Ų | 0 | 50 Ų | 50 | 0% | 0 | 25% | 0.25 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.9 | 121 | 166.1 | -66.3 | -81.4 | 0 | 0 | 0 | 108.5 | M96 V97 A99 T114 W117 Q129 R130 V138 L142 L155 | M96-F140 WeakPolarHBondContact CA-O 3.19Å; V97-F140 HydrophobicContact CB-CB 4.49Å; V97-F140 PolarHBondContact N-O 2.87Å; V97-F140 PolarHBondContact O-N 3.43Å; A99-F140 HydrophobicContact CB-CD2 4.33Å; A99-F140 HydrophobicContact CB-CE2 4.05Å; T114-F140 HydrophobicContact CG2-CZ 4.49Å; W117-F140 HydrophobicContact CB-CZ 4.38Å; W117-F140 HydrophobicContact CE3-CE2 4.25Å; W117-F140 HydrophobicContact CE3-CZ 4.15Å; Q129-F140 CarbonylContact O-C 3.55Å; Q129-F140 WeakPolarHBondContact O-CA 3.48Å; R130-F140 HydrophobicContact CB-CD1 4.08Å; R130-F140 HydrophobicContact CB-CE1 3.91Å; V138-F140 HydrophobicContact CG1-CD2 4.47Å; V138-F140 HydrophobicContact CG1-CE2 4.02Å; V138-F140 HydrophobicContact CG1-CZ 4.08Å; F140-L142 HydrophobicContact CB-CD1 4.1Å; F140-L155 HydrophobicContact CD2-CD1 4.22Å; F140-L155 HydrophobicContact CE2-CD1 4.35Å; F140-L155 HydrophobicContact CE2-CD2 4.14Å |
| 141 | M | 88.6 | Confident | 85 | Confident | 63 Ų | 63 | 46.1 Ų | 46.1 | 31% | 0.31 | 24% | 0.236 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -94.2 | 113.6 | 168.8 | -50 | -163.9 | -48.8 | 0 | 0 | 107.8 | M96 Q129 F131 I139 | M96-M141 HydrophobicContact CG-CG 4.32Å; Q129-M141 HydrophobicContact CB-CB 4.29Å; Q129-M141 HydrophobicContact CB-CE 4.25Å; Q129-M141 PolarHBondContact N-O 3.36Å; Q129-M141 PolarHBondContact O-N 2.86Å; F131-M141 HydrophobicContact CD2-CE 4.23Å; F131-M141 HydrophobicContact CD2-CG 3.91Å; F131-M141 HydrophobicContact CD2-SD 4.07Å; F131-M141 HydrophobicContact CE2-CE 3.18Å; F131-M141 HydrophobicContact CE2-CG 3.71Å; F131-M141 HydrophobicContact CE2-SD 3.57Å; F131-M141 VanDerWaalsContact CE2-SD 3.57Å; F131-M141 HydrophobicContact CZ-CE 3.57Å; F131-M141 HydrophobicContact CZ-SD 4.34Å; I139-M141 HydrophobicContact CG2-CG 4.4Å |
| 142 | L | 87.2 | Confident | 84.8 | Confident | 4 Ų | 4 | 42.4 Ų | 42.4 | 2% | 0.021 | 22% | 0.219 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -93.9 | 138.6 | 173.7 | -67 | 77.6 | 0 | 0 | 0 | 108.2 | T94 L95 V97 V128 F140 L147 A148 V151 | T94-L142 CarbonylContact C-O 3.57Å; T94-L142 WeakPolarHBondContact CA-O 3.44Å; L95-L142 PolarHBondContact N-O 2.97Å; L95-L142 PolarHBondContact O-N 3.39Å; V97-L142 HydrophobicContact CB-CD1 4.18Å; V97-L142 HydrophobicContact CG2-CD1 3.69Å; V128-L142 HydrophobicContact CG1-CG 4.02Å; F140-L142 HydrophobicContact CB-CD1 4.1Å; L142-L147 HydrophobicContact CD2-CB 4.39Å; L142-A148 HydrophobicContact CD2-CB 4.22Å; L142-V151 HydrophobicContact CD2-CB 4.03Å; L142-V151 HydrophobicContact CD2-CG1 4.46Å; L142-V151 HydrophobicContact CD2-CG2 3.66Å |
| 143 | R | 82.8 | Confident | 84.8 | Confident | 136 Ų | 136 | 44.2 Ų | 44.2 | 51% | 0.513 | 23% | 0.228 | S | C | . | . | S | Bend | trans | -72.2 | -33.2 | 173 | -168.3 | 169.8 | -175.5 | 149.8 | 2.4 | 112.5 | E64 R93 | E64-R143 IonicContact OE1-CZ 3.41Å; E64-R143 IonicContact OE1-NE 2.86Å; E64-R143 PolarHBondContact OE1-NE 3.02Å; E64-R143 IonicContact OE1-NH2 2.68Å; E64-R143 PolarHBondContact OE1-NH2 3.4Å; E64-R143 IonicContact OE2-CZ 3.47Å; E64-R143 IonicContact OE2-NH2 2.78Å; E64-R143 PolarHBondContact OE2-NH2 2.94Å; R93-R143 CarbonylContact C-O 3.4Å |
| 144 | D | 82.3 | Confident | 84.9 | Confident | 43 Ų | 43 | 43 Ų | 43 | 23% | 0.23 | 22% | 0.216 | C | C | . | . | trans | -117.3 | 113.9 | 176.5 | -174.2 | 10.3 | 0 | 0 | 0 | 111 | K91 G92 S146 L147 | K91-D144 WeakPolarHBondContact CA-OD1 3.41Å; G92-D144 PolarHBondContact N-OD1 2.9Å; D144-S146 PolarHBondContact O-N 3.47Å; D144-S146 WeakPolarHBondContact OD1-CB 3.37Å; D144-S146 PolarHBondContact OD1-N 3.09Å; D144-S146 PolarHBondContact OD1-OG 3.25Å; D144-S146 PolarHBondContact OD2-OG 3.29Å; D144-L147 HydrophobicContact CB-CD1 4.18Å; D144-L147 HydrophobicContact CB-CG 4.42Å; D144-L147 PolarHBondContact O-N 3.17Å | ||
| 145 | G | 78 | Confident | 85.1 | Confident | 4 Ų | 4 | 41.7 Ų | 41.7 | 4% | 0.041 | 20% | 0.202 | C | C | . | . | G | 310 helix | trans | -71.4 | -11.8 | 177.8 | 0 | 0 | 0 | 0 | 0 | 114.1 | K90 R93 L147 A148 | K90-G145 VanDerWaalsContact O-CA 3.3Å; K90-G145 WeakPolarHBondContact O-CA 3.26Å; K90-G145 PolarHBondContact O-N 3.09Å; R93-G145 PolarHBondContact O-N 3.29Å; G145-L147 PolarHBondContact O-N 3.46Å; G145-A148 WeakPolarHBondContact O-CB 3.42Å; G145-A148 PolarHBondContact O-N 2.81Å |
| 146 | S | 79.2 | Confident | 85.2 | Confident | 27 Ų | 27 | 39.7 Ų | 39.7 | 19% | 0.189 | 19% | 0.187 | C | C | . | . | G | 310 helix | trans | -64 | -34.3 | 173.3 | 78.3 | 0 | 0 | 0 | 0 | 112 | D144 A148 | D144-S146 PolarHBondContact O-N 3.47Å; D144-S146 WeakPolarHBondContact OD1-CB 3.37Å; D144-S146 PolarHBondContact OD1-N 3.09Å; D144-S146 PolarHBondContact OD1-OG 3.25Å; D144-S146 PolarHBondContact OD2-OG 3.29Å; S146-A148 VanDerWaalsContact C-N 3.29Å; S146-A148 PolarHBondContact O-N 3.27Å |
| 147 | L | 82.1 | Confident | 85.2 | Confident | 45 Ų | 45 | 40 Ų | 40 | 24% | 0.236 | 20% | 0.198 | C | C | . | . | G | 310 helix | trans | -79.1 | -10.8 | 178.6 | -59.1 | 174.3 | 0 | 0 | 0 | 113.1 | Y126 L142 D144 G145 W149 E150 V151 | Y126-L147 HydrophobicContact CD1-CB 4.46Å; Y126-L147 HydrophobicContact CD1-CD1 3.55Å; Y126-L147 HydrophobicContact CD1-CD2 4.21Å; Y126-L147 HydrophobicContact CD1-CG 4.28Å; Y126-L147 HydrophobicContact CE1-CB 4.44Å; Y126-L147 HydrophobicContact CE1-CD1 3.92Å; Y126-L147 HydrophobicContact CE1-CD2 3.65Å; Y126-L147 HydrophobicContact CE1-CG 4.2Å; L142-L147 HydrophobicContact CD2-CB 4.39Å; D144-L147 HydrophobicContact CB-CD1 4.18Å; D144-L147 HydrophobicContact CB-CG 4.42Å; D144-L147 PolarHBondContact O-N 3.17Å; G145-L147 PolarHBondContact O-N 3.46Å; L147-W149 PolarHBondContact O-N 3.26Å; L147-W149 VanDerWaalsContact O-N 3.11Å; L147-E150 PolarHBondContact O-N 3.29Å; L147-V151 WeakPolarHBondContact O-CG2 3.43Å; L147-V151 PolarHBondContact O-N 3.38Å |
| 148 | A | 83.6 | Confident | 85.1 | Confident | 4 Ų | 4 | 37.6 Ų | 37.6 | 3% | 0.033 | 19% | 0.191 | C | C | . | . | H | α-helix | trans | -57.3 | -31.5 | -177.2 | 0 | 0 | 0 | 0 | 0 | 112.8 | L95 V97 L142 G145 S146 K152 | L95-A148 HydrophobicContact CD1-CB 3.93Å; L95-A148 HydrophobicContact CD2-CB 3.82Å; L95-A148 HydrophobicContact CG-CB 4.3Å; V97-A148 HydrophobicContact CG2-CB 4.43Å; L142-A148 HydrophobicContact CD2-CB 4.22Å; G145-A148 WeakPolarHBondContact O-CB 3.42Å; G145-A148 PolarHBondContact O-N 2.81Å; S146-A148 VanDerWaalsContact C-N 3.29Å; S146-A148 PolarHBondContact O-N 3.27Å; A148-K152 WeakPolarHBondContact O-CB 3.44Å; A148-K152 PolarHBondContact O-N 2.64Å |
| 149 | W | 81.8 | Confident | 84.4 | Confident | 39 Ų | 39 | 44.6 Ų | 44.6 | 15% | 0.148 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -71.6 | -40.4 | 178.1 | -158.3 | -99.1 | 0 | 0 | 0 | 112.6 | E83 K87 L147 K152 D153 F171 | E83-W149 HydrophobicContact CG-CH2 3.88Å; E83-W149 HydrophobicContact CG-CZ2 3.94Å; E83-W149 WeakPolarHBondContact OE1-CH2 3.41Å; E83-W149 WeakPolarHBondContact OE1-CZ2 3.46Å; E83-W149 WeakPolarHBondContact OE2-CZ2 3.31Å; K87-W149 HydrophobicContact CD-CB 4.47Å; K87-W149 VanDerWaalsContact CE-CG 3.49Å; K87-W149 HydrophobicContact CG-CB 4.42Å; L147-W149 PolarHBondContact O-N 3.26Å; L147-W149 VanDerWaalsContact O-N 3.11Å; W149-K152 HydrophobicContact CD2-CD 4.26Å; W149-K152 HydrophobicContact CE3-CD 3.88Å; W149-K152 HydrophobicContact CH2-CD 4.37Å; W149-K152 HydrophobicContact CZ3-CD 3.95Å; W149-K152 WeakPolarHBondContact O-CB 3.5Å; W149-K152 PolarHBondContact O-N 3.31Å; W149-D153 WeakPolarHBondContact O-CB 3.46Å; W149-D153 VanDerWaalsContact O-CG 3.22Å; W149-D153 PolarHBondContact O-N 3.22Å; W149-F171 AromaticContact CH2-CE1 3.75Å; W149-F171 HydrophobicContact CH2-CE1 3.75Å; W149-F171 AromaticContact CH2-CZ 3.69Å; W149-F171 HydrophobicContact CH2-CZ 3.69Å; W149-F171 HydrophobicContact CZ3-CE1 4.12Å; W149-F171 HydrophobicContact CZ3-CE2 4.1Å; W149-F171 AromaticContact CZ3-CZ 3.6Å; W149-F171 HydrophobicContact CZ3-CZ 3.6Å |
| 150 | E | 84.9 | Confident | 83.9 | Confident | 99 Ų | 99 | 49 Ų | 49 | 46% | 0.463 | 24% | 0.239 | S | C | . | . | H | α-helix | trans | -67.9 | -42.8 | 176.7 | -64.1 | 178.9 | 177.4 | 0 | 0 | 110.9 | Y126 L147 D153 F154 | Y126-E150 PolarHBondContact OH-OE2 3.07Å; L147-E150 PolarHBondContact O-N 3.29Å; E150-D153 PolarHBondContact O-N 3.39Å; E150-F154 WeakPolarHBondContact O-CB 3.24Å; E150-F154 PolarHBondContact O-N 2.56Å |
| 151 | V | 86.1 | Confident | 83.5 | Confident | 0 Ų | 0 | 49 Ų | 49 | 0% | 0 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -63.9 | -42.4 | 175.6 | 176.3 | 0 | 0 | 0 | 0 | 110.8 | L121 L142 L147 F154 L155 | L121-V151 HydrophobicContact CD1-CG1 3.9Å; L121-V151 HydrophobicContact CD2-CB 4.41Å; L121-V151 HydrophobicContact CD2-CG1 4.12Å; L121-V151 HydrophobicContact CD2-CG2 3.92Å; L142-V151 HydrophobicContact CD2-CB 4.03Å; L142-V151 HydrophobicContact CD2-CG1 4.46Å; L142-V151 HydrophobicContact CD2-CG2 3.66Å; L147-V151 WeakPolarHBondContact O-CG2 3.43Å; L147-V151 PolarHBondContact O-N 3.38Å; V151-F154 PolarHBondContact O-N 3.5Å; V151-L155 HydrophobicContact CG1-CD1 3.95Å; V151-L155 HydrophobicContact CG1-CG 4.33Å; V151-L155 WeakPolarHBondContact O-CB 3.32Å; V151-L155 WeakPolarHBondContact O-CG 3.49Å; V151-L155 PolarHBondContact O-N 3.27Å |
| 152 | K | 85 | Confident | 83.2 | Confident | 15 Ų | 15 | 47 Ų | 47 | 7% | 0.065 | 23% | 0.232 | C | C | . | . | H | α-helix | trans | -57.7 | -49.5 | 172.6 | 173.1 | -150.1 | 136.3 | -173.7 | 0 | 110.7 | A148 W149 F154 L155 V156 V164 V166 F171 | A148-K152 WeakPolarHBondContact O-CB 3.44Å; A148-K152 PolarHBondContact O-N 2.64Å; W149-K152 HydrophobicContact CD2-CD 4.26Å; W149-K152 HydrophobicContact CE3-CD 3.88Å; W149-K152 HydrophobicContact CH2-CD 4.37Å; W149-K152 HydrophobicContact CZ3-CD 3.95Å; W149-K152 WeakPolarHBondContact O-CB 3.5Å; W149-K152 PolarHBondContact O-N 3.31Å; K152-F154 VanDerWaalsContact C-N 3.31Å; K152-F154 PolarHBondContact O-N 3.05Å; K152-L155 PolarHBondContact O-N 2.85Å; K152-V156 HydrophobicContact CG-CG2 4.3Å; K152-V156 WeakPolarHBondContact O-CB 3.38Å; K152-V156 VanDerWaalsContact O-CG2 3.31Å; K152-V156 WeakPolarHBondContact O-CG2 3.29Å; K152-V156 PolarHBondContact O-N 3.2Å; K152-V164 HydrophobicContact CB-CG1 4.41Å; K152-V164 HydrophobicContact CG-CG1 4.13Å; K152-V166 HydrophobicContact CB-CG2 4.13Å; K152-V166 HydrophobicContact CD-CG2 4.29Å; K152-V166 HydrophobicContact CG-CG2 4.1Å; K152-F171 HydrophobicContact CD-CB 4.33Å; K152-F171 HydrophobicContact CD-CD1 4.3Å; K152-F171 HydrophobicContact CD-CD2 3.74Å; K152-F171 HydrophobicContact CD-CE2 4.1Å; K152-F171 HydrophobicContact CD-CG 3.85Å; K152-F171 VanDerWaalsContact CE-CG 3.5Å; K152-F171 HydrophobicContact CG-CD2 4.37Å; K152-F171 VanDerWaalsContact NZ-CD1 3.32Å |
| 153 | D | 86.4 | Confident | 83 | Confident | 77 Ų | 77 | 49.4 Ų | 49.4 | 41% | 0.412 | 25% | 0.245 | S | C | . | . | H | α-helix | trans | -63.8 | -38.5 | -178 | -71.8 | -14.2 | 0 | 0 | 0 | 111.4 | W149 E150 A157 | W149-D153 WeakPolarHBondContact O-CB 3.46Å; W149-D153 VanDerWaalsContact O-CG 3.22Å; W149-D153 PolarHBondContact O-N 3.22Å; E150-D153 PolarHBondContact O-N 3.39Å; D153-A157 VanDerWaalsContact O-CB 3.31Å; D153-A157 WeakPolarHBondContact O-CB 3.21Å; D153-A157 PolarHBondContact O-N 2.7Å |
| 154 | F | 87.8 | Confident | 83.2 | Confident | 59 Ų | 59 | 43 Ų | 43 | 26% | 0.259 | 22% | 0.221 | S | C | . | . | H | α-helix | trans | -60.4 | -49.3 | 171.1 | 174.3 | -99.1 | 0 | 0 | 0 | 111.9 | W117 L121 E150 V151 K152 A157 Q158 | W117-F154 HydrophobicContact CB-CE1 4.39Å; W117-F154 HydrophobicContact CG-CE1 4.5Å; L121-F154 HydrophobicContact CD2-CD1 3.81Å; L121-F154 HydrophobicContact CD2-CE1 4.25Å; L121-F154 HydrophobicContact CD2-CG 4.29Å; L121-F154 HydrophobicContact CG-CD1 4.2Å; L121-F154 HydrophobicContact CG-CE1 4.19Å; E150-F154 WeakPolarHBondContact O-CB 3.24Å; E150-F154 PolarHBondContact O-N 2.56Å; V151-F154 PolarHBondContact O-N 3.5Å; K152-F154 VanDerWaalsContact C-N 3.31Å; K152-F154 PolarHBondContact O-N 3.05Å; F154-A157 WeakPolarHBondContact O-CB 3.21Å; F154-A157 PolarHBondContact O-N 3.17Å; F154-Q158 HydrophobicContact CE1-CG 4.4Å; F154-Q158 WeakPolarHBondContact O-CG 3.1Å; F154-Q158 PolarHBondContact O-N 3.18Å |
| 155 | L | 86.5 | Confident | 83.3 | Confident | 0 Ų | 0 | 42.4 Ų | 42.4 | 0% | 0 | 22% | 0.219 | C | C | . | . | H | α-helix | trans | -64 | -43.7 | -179.6 | -71.6 | 171.5 | 0 | 0 | 0 | 111.6 | V97 A99 W117 F140 V151 K152 A157 Q158 C161 V164 | V97-L155 HydrophobicContact CG1-CD1 4.17Å; A99-L155 HydrophobicContact CB-CD1 4.31Å; W117-L155 HydrophobicContact CD2-CD2 3.89Å; W117-L155 HydrophobicContact CE3-CD2 3.39Å; W117-L155 HydrophobicContact CG-CD2 4.4Å; W117-L155 HydrophobicContact CZ3-CD2 3.84Å; F140-L155 HydrophobicContact CD2-CD1 4.22Å; F140-L155 HydrophobicContact CE2-CD1 4.35Å; F140-L155 HydrophobicContact CE2-CD2 4.14Å; V151-L155 HydrophobicContact CG1-CD1 3.95Å; V151-L155 HydrophobicContact CG1-CG 4.33Å; V151-L155 WeakPolarHBondContact O-CB 3.32Å; V151-L155 WeakPolarHBondContact O-CG 3.49Å; V151-L155 PolarHBondContact O-N 3.27Å; K152-L155 PolarHBondContact O-N 2.85Å; L155-A157 VanDerWaalsContact C-N 3.27Å; L155-A157 PolarHBondContact O-N 2.85Å; L155-Q158 WeakPolarHBondContact O-CB 3.34Å; L155-Q158 PolarHBondContact O-N 3.01Å; L155-Q158 VanDerWaalsContact O-N 3.13Å; L155-C161 WeakPolarHBondContact O-CB 3.44Å; L155-V164 HydrophobicContact CB-CG2 3.69Å; L155-V164 HydrophobicContact CD1-CG1 4.25Å; L155-V164 HydrophobicContact CD1-CG2 4.41Å |
| 156 | V | 85.7 | Confident | 83.6 | Confident | 25 Ų | 25 | 42.9 Ų | 42.9 | 15% | 0.152 | 22% | 0.221 | C | C | . | . | H | α-helix | trans | -63.5 | -34.2 | 176.5 | 167.5 | 0 | 0 | 0 | 0 | 111.4 | K152 Q158 V164 S174 | K152-V156 HydrophobicContact CG-CG2 4.3Å; K152-V156 WeakPolarHBondContact O-CB 3.38Å; K152-V156 VanDerWaalsContact O-CG2 3.31Å; K152-V156 WeakPolarHBondContact O-CG2 3.29Å; K152-V156 PolarHBondContact O-N 3.2Å; V156-Q158 VanDerWaalsContact C-N 3.26Å; V156-Q158 PolarHBondContact O-N 3.18Å; V156-V164 HydrophobicContact CG2-CB 4.26Å; V156-V164 HydrophobicContact CG2-CG2 3.88Å; V156-S174 WeakPolarHBondContact O-CB 3.49Å; V156-S174 PolarHBondContact O-N 3.43Å |
| 157 | A | 85.6 | Confident | 83.3 | Confident | 66 Ų | 66 | 45.9 Ų | 45.9 | 55% | 0.545 | 23% | 0.232 | S | C | . | . | H | α-helix | trans | -68.1 | -23.9 | 176 | 0 | 0 | 0 | 0 | 0 | 113.1 | D153 F154 L155 Q159 | D153-A157 VanDerWaalsContact O-CB 3.31Å; D153-A157 WeakPolarHBondContact O-CB 3.21Å; D153-A157 PolarHBondContact O-N 2.7Å; F154-A157 WeakPolarHBondContact O-CB 3.21Å; F154-A157 PolarHBondContact O-N 3.17Å; L155-A157 VanDerWaalsContact C-N 3.27Å; L155-A157 PolarHBondContact O-N 2.85Å; A157-Q159 PolarHBondContact O-N 3.4Å |
| 158 | Q | 83.7 | Confident | 82.9 | Confident | 59 Ų | 59 | 46.9 Ų | 46.9 | 28% | 0.276 | 25% | 0.253 | S | S | . | . | S | Bend | trans | -67.6 | 132.9 | 178.6 | -61.7 | -56.5 | -33.7 | 0 | 0 | 111.7 | W117 F154 L155 V156 R160 C161 | W117-Q158 HydrophobicContact CZ2-CB 3.93Å; W117-Q158 HydrophobicContact CZ2-CG 4.24Å; F154-Q158 HydrophobicContact CE1-CG 4.4Å; F154-Q158 WeakPolarHBondContact O-CG 3.1Å; F154-Q158 PolarHBondContact O-N 3.18Å; L155-Q158 WeakPolarHBondContact O-CB 3.34Å; L155-Q158 PolarHBondContact O-N 3.01Å; L155-Q158 VanDerWaalsContact O-N 3.13Å; V156-Q158 VanDerWaalsContact C-N 3.26Å; V156-Q158 PolarHBondContact O-N 3.18Å; Q158-R160 PolarHBondContact O-N 3.29Å; Q158-R160 VanDerWaalsContact O-N 3.14Å; Q158-C161 HydrophobicContact CB-CB 4.34Å; Q158-C161 PolarHBondContact O-N 2.96Å |
| 159 | Q | 74.8 | Confident | 82.6 | Confident | 147 Ų | 147 | 51.7 Ų | 51.7 | 69% | 0.687 | 28% | 0.275 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -66.8 | -16.1 | -178.9 | -64.1 | -171.2 | 6.3 | 0 | 0 | 114 | A157 M175 | A157-Q159 PolarHBondContact O-N 3.4Å; Q159-M175 WeakPolarHBondContact O-CG 3.37Å |
| 160 | R | 80.2 | Confident | 82.5 | Confident | 117 Ų | 117 | 54.1 Ų | 54.1 | 44% | 0.442 | 29% | 0.294 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -102.1 | 4.2 | -179.2 | -63.7 | -70.5 | -70.9 | -147.7 | -4.3 | 113.1 | V101 S102 W117 Q158 | V101-R160 WeakPolarHBondContact CG1-O 3.3Å; S102-R160 PolarHBondContact N-O 3.38Å; S102-R160 VanDerWaalsContact OG-C 3.29Å; S102-R160 WeakPolarHBondContact OG-CA 3.18Å; S102-R160 PolarHBondContact OG-O 3.49Å; W117-R160 HydrophobicContact CZ2-CB 4.4Å; Q158-R160 PolarHBondContact O-N 3.29Å; Q158-R160 VanDerWaalsContact O-N 3.14Å |
| 161 | C | 81.5 | Confident | 82.1 | Confident | 0 Ų | 0 | 51.2 Ų | 51.2 | 0% | 0 | 28% | 0.28 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.6 | 124.6 | 176.1 | -171.2 | 0 | 0 | 0 | 0 | 110.6 | W117 L155 Q158 V164 | W117-C161 HydrophobicContact CH2-CB 4.03Å; W117-C161 HydrophobicContact CZ2-CB 4.46Å; L155-C161 WeakPolarHBondContact O-CB 3.44Å; Q158-C161 HydrophobicContact CB-CB 4.34Å; Q158-C161 PolarHBondContact O-N 2.96Å; C161-V164 WeakPolarHBondContact SG-CG2 3.23Å |
| 162 | A | 81.7 | Confident | 81.6 | Confident | 20 Ų | 20 | 53.6 Ų | 53.6 | 17% | 0.165 | 30% | 0.295 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -80 | -62.2 | 175.2 | 0 | 0 | 0 | 0 | 0 | 110.1 | T100 G173 | T100-A162 HydrophobicContact CG2-CB 4.15Å; T100-A162 PolarHBondContact O-N 2.95Å; A162-G173 VanDerWaalsContact O-CA 3.23Å; A162-G173 WeakPolarHBondContact O-CA 3.37Å; A162-G173 PolarHBondContact O-N 3.41Å |
| 163 | D | 83.8 | Confident | 80.7 | Confident | 56 Ų | 56 | 52.9 Ų | 52.9 | 30% | 0.299 | 29% | 0.292 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -145.9 | 146.6 | -176.3 | -61.8 | -51.7 | 0 | 0 | 0 | 110.4 | T100 V170 P172 | T100-D163 PolarHBondContact N-O 3.49Å; D163-V170 HydrophobicContact CB-CG1 4.12Å; D163-P172 WeakPolarHBondContact OD1-CA 3.46Å |
| 164 | V | 86.3 | Confident | 79.4 | Confident | 0 Ų | 0 | 51.6 Ų | 51.6 | 0% | 0 | 29% | 0.289 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.9 | 122.6 | 174.4 | -176.3 | 0 | 0 | 0 | 0 | 108.5 | V97 F98 K152 L155 V156 C161 V166 F171 | V97-V164 HydrophobicContact CG1-CG1 3.43Å; V97-V164 VanDerWaalsContact CG1-CG1 3.43Å; F98-V164 CarbonylContact O-C 3.55Å; F98-V164 WeakPolarHBondContact O-CA 3.15Å; K152-V164 HydrophobicContact CB-CG1 4.41Å; K152-V164 HydrophobicContact CG-CG1 4.13Å; L155-V164 HydrophobicContact CB-CG2 3.69Å; L155-V164 HydrophobicContact CD1-CG1 4.25Å; L155-V164 HydrophobicContact CD1-CG2 4.41Å; V156-V164 HydrophobicContact CG2-CB 4.26Å; V156-V164 HydrophobicContact CG2-CG2 3.88Å; C161-V164 WeakPolarHBondContact SG-CG2 3.23Å; V164-V166 HydrophobicContact CG1-CG2 4.18Å; V164-F171 PolarHBondContact N-O 2.79Å; V164-F171 WeakPolarHBondContact O-CA 3.45Å; V164-F171 WeakPolarHBondContact O-CB 3.29Å; V164-F171 PolarHBondContact O-N 3.24Å |
| 165 | T | 84.9 | Confident | 77.6 | Confident | 31 Ų | 31 | 51.7 Ų | 51.7 | 19% | 0.19 | 29% | 0.291 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.6 | 121.8 | 176.8 | -49.4 | 0 | 0 | 0 | 0 | 110.1 | F98 Q169 V170 | F98-T165 PolarHBondContact N-O 3.42Å; F98-T165 PolarHBondContact O-N 2.81Å; T165-Q169 CarbonylContact C-O 3.56Å; T165-Q169 VanDerWaalsContact CA-O 3.26Å; T165-Q169 WeakPolarHBondContact CA-O 3.35Å; T165-V170 HydrophobicContact CG2-CG2 4.06Å |
| 166 | V | 83.2 | Confident | 75.9 | Confident | 15 Ų | 15 | 52.3 Ų | 52.3 | 9% | 0.091 | 30% | 0.297 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.3 | 118.3 | 177.8 | -174.5 | 0 | 0 | 0 | 0 | 107.4 | L95 V97 K152 V164 G168 Q169 F171 | L95-V166 HydrophobicContact CD1-CG1 4.43Å; L95-V166 HydrophobicContact CD2-CG1 3.73Å; V97-V166 HydrophobicContact CG1-CG2 4.18Å; V97-V166 HydrophobicContact CG2-CG2 4.26Å; K152-V166 HydrophobicContact CB-CG2 4.13Å; K152-V166 HydrophobicContact CD-CG2 4.29Å; K152-V166 HydrophobicContact CG-CG2 4.1Å; V164-V166 HydrophobicContact CG1-CG2 4.18Å; V166-G168 PolarHBondContact O-N 3.32Å; V166-Q169 PolarHBondContact N-O 3.46Å; V166-Q169 WeakPolarHBondContact O-CB 3.45Å; V166-Q169 PolarHBondContact O-N 2.73Å; V166-F171 HydrophobicContact CB-CD2 4.4Å; V166-F171 HydrophobicContact CB-CE2 4.11Å; V166-F171 HydrophobicContact CG2-CD2 4.18Å; V166-F171 HydrophobicContact CG2-CE2 4.31Å |
| 167 | E | 74.1 | Confident | 74.3 | Confident | 90 Ų | 90 | 58 Ų | 58 | 42% | 0.421 | 32% | 0.319 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 49.8 | 33.7 | 179.6 | -55.8 | -154.4 | 146.6 | 0 | 0 | 115.3 | K90 L95 Q169 | K90-E167 WeakPolarHBondContact CD-OE1 3.4Å; K90-E167 WeakPolarHBondContact CE-OE1 3.38Å; K90-E167 VanDerWaalsContact CE-OE2 3.24Å; K90-E167 WeakPolarHBondContact CE-OE2 3.27Å; K90-E167 VanDerWaalsContact NZ-CD 3.27Å; K90-E167 IonicContact NZ-OE1 3.6Å; K90-E167 PolarHBondContact NZ-OE1 3.38Å; K90-E167 IonicContact NZ-OE2 3.16Å; K90-E167 PolarHBondContact NZ-OE2 2.88Å; K90-E167 VanDerWaalsContact NZ-OE2 3.09Å; L95-E167 HydrophobicContact CD1-CG 3.86Å; L95-E167 WeakPolarHBondContact CD1-OE1 3.25Å; L95-E167 HydrophobicContact CD2-CG 4.3Å; L95-E167 HydrophobicContact CG-CG 4.08Å; E167-Q169 VanDerWaalsContact C-N 3.34Å |
| 168 | G | 73.6 | Confident | 72.5 | Confident | 65 Ų | 65 | 60.3 Ų | 60.3 | 67% | 0.67 | 32% | 0.317 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 87.1 | -4.3 | -179 | 0 | 0 | 0 | 0 | 0 | 115 | V166 | V166-G168 PolarHBondContact O-N 3.32Š|
| 169 | Q | 77.9 | Confident | 70.8 | Confident | 105 Ų | 105 | 61.9 Ų | 61.9 | 49% | 0.491 | 33% | 0.327 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.4 | 123 | 168.9 | -63.9 | -173.8 | -7 | 0 | 0 | 110.2 | T165 V166 E167 F171 | T165-Q169 CarbonylContact C-O 3.56Å; T165-Q169 VanDerWaalsContact CA-O 3.26Å; T165-Q169 WeakPolarHBondContact CA-O 3.35Å; V166-Q169 PolarHBondContact N-O 3.46Å; V166-Q169 WeakPolarHBondContact O-CB 3.45Å; V166-Q169 PolarHBondContact O-N 2.73Å; E167-Q169 VanDerWaalsContact C-N 3.34Å; Q169-F171 HydrophobicContact CB-CE2 3.77Å; Q169-F171 HydrophobicContact CB-CZ 4.08Å |
| 170 | V | 78.9 | Confident | 69.5 | Low | 90 Ų | 90 | 61 Ų | 61 | 55% | 0.545 | 32% | 0.321 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.3 | 118.7 | 179.2 | -174.5 | 0 | 0 | 0 | 0 | 109.6 | D163 T165 | D163-V170 HydrophobicContact CB-CG1 4.12Å; T165-V170 HydrophobicContact CG2-CG2 4.06Å |
| 171 | F | 76.9 | Confident | 67.8 | Low | 39 Ų | 39 | 57.5 Ų | 57.5 | 17% | 0.171 | 32% | 0.317 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.2 | 115.9 | 173.4 | -64 | -81 | 0 | 0 | 0 | 109.4 | W149 K152 V164 V166 Q169 G173 | W149-F171 AromaticContact CH2-CE1 3.75Å; W149-F171 HydrophobicContact CH2-CE1 3.75Å; W149-F171 AromaticContact CH2-CZ 3.69Å; W149-F171 HydrophobicContact CH2-CZ 3.69Å; W149-F171 HydrophobicContact CZ3-CE1 4.12Å; W149-F171 HydrophobicContact CZ3-CE2 4.1Å; W149-F171 AromaticContact CZ3-CZ 3.6Å; W149-F171 HydrophobicContact CZ3-CZ 3.6Å; K152-F171 HydrophobicContact CD-CB 4.33Å; K152-F171 HydrophobicContact CD-CD1 4.3Å; K152-F171 HydrophobicContact CD-CD2 3.74Å; K152-F171 HydrophobicContact CD-CE2 4.1Å; K152-F171 HydrophobicContact CD-CG 3.85Å; K152-F171 VanDerWaalsContact CE-CG 3.5Å; K152-F171 HydrophobicContact CG-CD2 4.37Å; K152-F171 VanDerWaalsContact NZ-CD1 3.32Å; V164-F171 PolarHBondContact N-O 2.79Å; V164-F171 WeakPolarHBondContact O-CA 3.45Å; V164-F171 WeakPolarHBondContact O-CB 3.29Å; V164-F171 PolarHBondContact O-N 3.24Å; V166-F171 HydrophobicContact CB-CD2 4.4Å; V166-F171 HydrophobicContact CB-CE2 4.11Å; V166-F171 HydrophobicContact CG2-CD2 4.18Å; V166-F171 HydrophobicContact CG2-CE2 4.31Å; Q169-F171 HydrophobicContact CB-CE2 3.77Å; Q169-F171 HydrophobicContact CB-CZ 4.08Å; F171-G173 PolarHBondContact O-N 2.78Å |
| 172 | P | 75 | Confident | 66.1 | Low | 49 Ų | 49 | 63.4 Ų | 63.4 | 32% | 0.318 | 34% | 0.343 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -67.1 | 131.7 | 179.4 | 25.2 | -31.4 | 0 | 0 | 0 | 110.9 | D163 A176 | D163-P172 WeakPolarHBondContact OD1-CA 3.46Å; P172-A176 HydrophobicContact CB-CB 3.57Å |
| 173 | G | 66.6 | Low | 64.5 | Low | 0 Ų | 0 | 68.4 Ų | 68.4 | 0% | 0 | 36% | 0.363 | C | S | . | . | trans | -67.8 | 171.1 | 176.8 | 0 | 0 | 0 | 0 | 0 | 113.3 | A162 F171 M175 A176 K177 | A162-G173 VanDerWaalsContact O-CA 3.23Å; A162-G173 WeakPolarHBondContact O-CA 3.37Å; A162-G173 PolarHBondContact O-N 3.41Å; F171-G173 PolarHBondContact O-N 2.78Å; G173-M175 PolarHBondContact O-N 3.47Å; G173-M175 VanDerWaalsContact O-N 3.14Å; G173-A176 PolarHBondContact O-N 3.32Å; G173-K177 PolarHBondContact O-N 2.73Å | ||
| 174 | S | 58.7 | Low | 62.8 | Low | 50 Ų | 50 | 69.8 Ų | 69.8 | 35% | 0.35 | 37% | 0.373 | S | S | . | . | H | α-helix | trans | -55.6 | -29.3 | 175.6 | -177.1 | 0 | 0 | 0 | 0 | 113 | V156 | V156-S174 WeakPolarHBondContact O-CB 3.49Å; V156-S174 PolarHBondContact O-N 3.43Å |
| 175 | M | 49.9 | Very low | 61.1 | Low | 61 Ų | 61 | 75.7 Ų | 75.7 | 30% | 0.3 | 40% | 0.401 | S | S | . | . | H | α-helix | trans | -75.7 | -37.4 | 173.8 | -82.6 | -71.6 | -76.1 | 0 | 0 | 113.9 | Q159 G173 K177 K178 D179 | Q159-M175 WeakPolarHBondContact O-CG 3.37Å; G173-M175 PolarHBondContact O-N 3.47Å; G173-M175 VanDerWaalsContact O-N 3.14Å; M175-K177 PolarHBondContact O-N 3.03Å; M175-K178 WeakPolarHBondContact O-CB 3.36Å; M175-K178 PolarHBondContact O-N 3.1Å; M175-K178 HydrophobicContact SD-CD 4.15Å; M175-D179 PolarHBondContact O-N 2.68Å |
| 176 | A | 50.7 | Low | 59.5 | Low | 14 Ų | 14 | 80.5 Ų | 80.5 | 12% | 0.116 | 42% | 0.421 | C | S | . | . | H | α-helix | trans | -63.5 | -27.6 | 175.2 | 0 | 0 | 0 | 0 | 0 | 112.1 | P172 G173 K178 D179 K180 | P172-A176 HydrophobicContact CB-CB 3.57Å; G173-A176 PolarHBondContact O-N 3.32Å; A176-K178 VanDerWaalsContact C-N 3.33Å; A176-K178 PolarHBondContact O-N 3.33Å; A176-D179 PolarHBondContact O-N 2.86Å; A176-K180 WeakPolarHBondContact O-CG 3Å; A176-K180 PolarHBondContact O-N 2.82Å |
| 177 | K | 51.9 | Low | 58 | Low | 143 Ų | 143 | 84.6 Ų | 84.6 | 62% | 0.622 | 44% | 0.443 | S | S | * | . | H | α-helix | trans | -65.3 | -31.9 | 169.9 | -71.7 | -174.5 | -179.7 | 178.1 | 0 | 112.9 | G173 M175 A181 | G173-K177 PolarHBondContact O-N 2.73Å; M175-K177 PolarHBondContact O-N 3.03Å; K177-A181 WeakPolarHBondContact O-CB 3.5Å; K177-A181 PolarHBondContact O-N 3.09Å |
| 178 | K | 49 | Very low | 57 | Low | 116 Ų | 116 | 85.7 Ų | 85.7 | 50% | 0.504 | 45% | 0.447 | S | S | . | . | H | α-helix | trans | -71.9 | -34.6 | 175.7 | -73.8 | -177.2 | 179.9 | 172.5 | 0 | 111.9 | M175 A176 K182 | M175-K178 WeakPolarHBondContact O-CB 3.36Å; M175-K178 PolarHBondContact O-N 3.1Å; M175-K178 HydrophobicContact SD-CD 4.15Å; A176-K178 VanDerWaalsContact C-N 3.33Å; A176-K178 PolarHBondContact O-N 3.33Å; K178-K182 WeakPolarHBondContact O-CB 3.28Å; K178-K182 VanDerWaalsContact O-CG 3.24Å; K178-K182 WeakPolarHBondContact O-CG 3.35Å; K178-K182 PolarHBondContact O-N 3.06Å; K178-K182 VanDerWaalsContact O-N 3.09Å |
| 179 | D | 47.8 | Very low | 56.1 | Low | 92 Ų | 92 | 86.7 Ų | 86.7 | 49% | 0.492 | 44% | 0.441 | S | S | . | . | H | α-helix | trans | -77 | -39 | 178.4 | -64.4 | -30.9 | 0 | 0 | 0 | 111.7 | M175 A176 K182 E183 | M175-D179 PolarHBondContact O-N 2.68Å; A176-D179 PolarHBondContact O-N 2.86Å; D179-K182 PolarHBondContact O-N 3.18Å; D179-E183 PolarHBondContact O-N 2.81Å |
| 180 | K | 47.8 | Very low | 54.8 | Low | 129 Ų | 129 | 86.7 Ų | 86.7 | 56% | 0.561 | 44% | 0.444 | S | S | * | . | H | α-helix | trans | -68.5 | -33.7 | 171.4 | -68.1 | -166.2 | -179.7 | -171.3 | 0 | 113.5 | A176 K182 E183 T184 | A176-K180 WeakPolarHBondContact O-CG 3Å; A176-K180 PolarHBondContact O-N 2.82Å; K180-K182 VanDerWaalsContact C-N 3.33Å; K180-E183 PolarHBondContact O-N 2.86Å; K180-T184 PolarHBondContact O-N 3.1Å; K180-T184 PolarHBondContact O-OG1 3.29Å |
| 181 | A | 44.2 | Very low | 53.8 | Low | 42 Ų | 42 | 88.2 Ų | 88.2 | 35% | 0.347 | 45% | 0.448 | S | S | . | . | H | α-helix | trans | -68.4 | -33.6 | 173.1 | 0 | 0 | 0 | 0 | 0 | 112 | K177 Q185 | K177-A181 WeakPolarHBondContact O-CB 3.5Å; K177-A181 PolarHBondContact O-N 3.09Å; A181-Q185 WeakPolarHBondContact O-CB 3.42Å; A181-Q185 WeakPolarHBondContact O-CG 3.28Å; A181-Q185 PolarHBondContact O-N 3.19Å; A181-Q185 VanDerWaalsContact O-N 3.1Å |
| 182 | K | 45.6 | Very low | 52.4 | Low | 125 Ų | 125 | 93.9 Ų | 93.9 | 54% | 0.543 | 47% | 0.472 | S | S | . | . | H | α-helix | trans | -71.7 | -38.4 | 173.6 | -75.9 | 173.1 | -178.1 | 177.8 | 0 | 112.3 | K178 D179 K180 Q186 | K178-K182 WeakPolarHBondContact O-CB 3.28Å; K178-K182 VanDerWaalsContact O-CG 3.24Å; K178-K182 WeakPolarHBondContact O-CG 3.35Å; K178-K182 PolarHBondContact O-N 3.06Å; K178-K182 VanDerWaalsContact O-N 3.09Å; D179-K182 PolarHBondContact O-N 3.18Å; K180-K182 VanDerWaalsContact C-N 3.33Å; K182-Q186 WeakPolarHBondContact O-CB 3.32Å; K182-Q186 VanDerWaalsContact O-CG 3.3Å; K182-Q186 WeakPolarHBondContact O-CG 3.26Å; K182-Q186 PolarHBondContact O-N 2.83Å |
| 183 | E | 48.6 | Very low | 51 | Low | 125 Ų | 125 | 98.6 Ų | 98.6 | 58% | 0.584 | 49% | 0.488 | S | S | * | . | H | α-helix | trans | -65.5 | -43.8 | 173.8 | -88.5 | -175.2 | 150.3 | 0 | 0 | 112.5 | D179 K180 Q185 Q186 N187 | D179-E183 PolarHBondContact O-N 2.81Å; K180-E183 PolarHBondContact O-N 2.86Å; E183-Q185 PolarHBondContact O-N 2.77Å; E183-Q186 PolarHBondContact O-N 3.24Å; E183-N187 WeakPolarHBondContact O-CB 3.39Å; E183-N187 PolarHBondContact O-N 3.29Å |
| 184 | T | 47.4 | Very low | 49.8 | Very low | 84 Ų | 84 | 106.8 Ų | 106.8 | 52% | 0.515 | 52% | 0.523 | S | S | . | . | H | α-helix | trans | -65.4 | -39.9 | 177.4 | -54.9 | 0 | 0 | 0 | 0 | 111.5 | K180 N187 E188 | K180-T184 PolarHBondContact O-N 3.1Å; K180-T184 PolarHBondContact O-OG1 3.29Å; T184-N187 PolarHBondContact O-N 3.48Å; T184-E188 PolarHBondContact O-N 2.96Å |
| 185 | Q | 51.5 | Low | 48.9 | Very low | 125 Ų | 125 | 106.3 Ų | 106.3 | 58% | 0.584 | 53% | 0.526 | S | S | * | . | H | α-helix | trans | -69.3 | -36.3 | 176.4 | -72.4 | 176 | 34.5 | 0 | 0 | 112.9 | A181 E183 V189 | A181-Q185 WeakPolarHBondContact O-CB 3.42Å; A181-Q185 WeakPolarHBondContact O-CG 3.28Å; A181-Q185 PolarHBondContact O-N 3.19Å; A181-Q185 VanDerWaalsContact O-N 3.1Å; E183-Q185 PolarHBondContact O-N 2.77Å; Q185-V189 WeakPolarHBondContact O-CB 3.38Å; Q185-V189 WeakPolarHBondContact O-CG2 3.28Å; Q185-V189 PolarHBondContact O-N 3.04Å |
| 186 | Q | 51.3 | Low | 48.3 | Very low | 131 Ų | 131 | 114 Ų | 114 | 61% | 0.612 | 55% | 0.552 | S | S | * | * | H | α-helix | trans | -69.9 | -36.9 | 175.4 | -75.9 | 179.2 | 6.2 | 0 | 0 | 112.3 | K182 E183 N190 | K182-Q186 WeakPolarHBondContact O-CB 3.32Å; K182-Q186 VanDerWaalsContact O-CG 3.3Å; K182-Q186 WeakPolarHBondContact O-CG 3.26Å; K182-Q186 PolarHBondContact O-N 2.83Å; E183-Q186 PolarHBondContact O-N 3.24Å; Q186-N190 WeakPolarHBondContact O-CB 3.29Å; Q186-N190 PolarHBondContact O-N 3.42Å |
| 187 | N | 50.3 | Low | 47.7 | Very low | 102 Ų | 102 | 122.2 Ų | 122.2 | 55% | 0.545 | 59% | 0.585 | S | S | . | * | H | α-helix | trans | -69.6 | -40.4 | 175.5 | -79.4 | -23 | 0 | 0 | 0 | 112.3 | E183 T184 N190 I191 | E183-N187 WeakPolarHBondContact O-CB 3.39Å; E183-N187 PolarHBondContact O-N 3.29Å; T184-N187 PolarHBondContact O-N 3.48Å; N187-N190 PolarHBondContact O-N 3.31Å; N187-I191 WeakPolarHBondContact O-CB 3.32Å; N187-I191 WeakPolarHBondContact O-CD1 3.42Å; N187-I191 WeakPolarHBondContact O-CG1 3.31Å; N187-I191 PolarHBondContact O-N 2.86Å |
| 188 | E | 54.5 | Low | 47 | Very low | 112 Ų | 112 | 121.2 Ų | 121.2 | 52% | 0.523 | 59% | 0.591 | S | S | . | * | H | α-helix | trans | -65.4 | -37.9 | 173.8 | -78.1 | -169.3 | 162.5 | 0 | 0 | 113 | T184 K192 | T184-E188 PolarHBondContact O-N 2.96Å; E188-K192 WeakPolarHBondContact O-CB 3.46Å; E188-K192 WeakPolarHBondContact O-CG 3.4Å; E188-K192 PolarHBondContact O-N 2.74Å |
| 189 | V | 54 | Low | 46.3 | Very low | 87 Ų | 87 | 124.4 Ų | 124.4 | 53% | 0.527 | 61% | 0.608 | S | S | . | * | H | α-helix | trans | -69.4 | -36.5 | 177.1 | 172.5 | 0 | 0 | 0 | 0 | 111.5 | Q185 K193 | Q185-V189 WeakPolarHBondContact O-CB 3.38Å; Q185-V189 WeakPolarHBondContact O-CG2 3.28Å; Q185-V189 PolarHBondContact O-N 3.04Å; V189-K193 PolarHBondContact O-N 3.4Å |
| 190 | N | 51.2 | Low | 45.8 | Very low | 105 Ų | 105 | 123.1 Ų | 123.1 | 56% | 0.561 | 62% | 0.616 | S | S | * | * | H | α-helix | trans | -71.1 | -37.5 | 175 | -102.7 | -25.5 | 0 | 0 | 0 | 112.9 | Q186 N187 K193 K194 | Q186-N190 WeakPolarHBondContact O-CB 3.29Å; Q186-N190 PolarHBondContact O-N 3.42Å; N187-N190 PolarHBondContact O-N 3.31Å; N190-K193 PolarHBondContact O-N 2.78Å; N190-K194 WeakPolarHBondContact O-CB 3.48Å; N190-K194 PolarHBondContact O-N 3.11Å |
| 191 | I | 56.6 | Low | 45.2 | Very low | 122 Ų | 122 | 126.6 Ų | 126.6 | 63% | 0.626 | 63% | 0.631 | S | S | * | * | H | α-helix | trans | -65.6 | -41.9 | 174.7 | -68.2 | 167.6 | 0 | 0 | 0 | 110.5 | N187 K193 K194 G195 | N187-I191 WeakPolarHBondContact O-CB 3.32Å; N187-I191 WeakPolarHBondContact O-CD1 3.42Å; N187-I191 WeakPolarHBondContact O-CG1 3.31Å; N187-I191 PolarHBondContact O-N 2.86Å; I191-K193 PolarHBondContact O-N 3.13Å; I191-K194 PolarHBondContact O-N 3.09Å; I191-G195 PolarHBondContact O-N 2.79Å |
| 192 | K | 48.9 | Very low | 44.4 | Very low | 157 Ų | 157 | 131.6 Ų | 131.6 | 68% | 0.683 | 66% | 0.658 | S | S | * | * | H | α-helix | trans | -66.4 | -34.8 | 174.9 | -74.3 | 179.9 | -178.8 | 174.1 | 0 | 113.5 | E188 R196 | E188-K192 WeakPolarHBondContact O-CB 3.46Å; E188-K192 WeakPolarHBondContact O-CG 3.4Å; E188-K192 PolarHBondContact O-N 2.74Å; K192-R196 PolarHBondContact O-N 2.89Å |
| 193 | K | 45.7 | Very low | 43.8 | Very low | 149 Ų | 149 | 134.3 Ų | 134.3 | 65% | 0.648 | 67% | 0.672 | S | S | * | * | H | α-helix | trans | -70.1 | -30.6 | 173.2 | -97.3 | -178 | 177.1 | 174.9 | 0 | 113.2 | V189 N190 I191 | V189-K193 PolarHBondContact O-N 3.4Å; N190-K193 PolarHBondContact O-N 2.78Å; I191-K193 PolarHBondContact O-N 3.13Å |
| 194 | K | 40.1 | Very low | 43.3 | Very low | 172 Ų | 172 | 134.8 Ų | 134.8 | 75% | 0.748 | 68% | 0.684 | S | S | * | * | H | α-helix | trans | -80.3 | -32.3 | 178.8 | -146.7 | 175 | -175.5 | -177.4 | 0 | 112.4 | N190 I191 T198 | N190-K194 WeakPolarHBondContact O-CB 3.48Å; N190-K194 PolarHBondContact O-N 3.11Å; I191-K194 PolarHBondContact O-N 3.09Å; K194-T198 PolarHBondContact O-OG1 3.3Å |
| 195 | G | 40.1 | Very low | 42.9 | Very low | 40 Ų | 40 | 137.9 Ų | 137.9 | 41% | 0.412 | 70% | 0.702 | S | S | . | * | H | α-helix | trans | -68.7 | -39.8 | 173.3 | 0 | 0 | 0 | 0 | 0 | 113.9 | I191 K197 T198 | I191-G195 PolarHBondContact O-N 2.79Å; G195-K197 VanDerWaalsContact C-N 3.27Å; G195-K197 PolarHBondContact O-N 3.01Å; G195-T198 PolarHBondContact O-N 3.47Å |
| 196 | R | 38.3 | Very low | 42.1 | Very low | 221 Ų | 221 | 139.1 Ų | 139.1 | 83% | 0.834 | 71% | 0.713 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -72.4 | -13.1 | -176.5 | -161.3 | 170.8 | 178.3 | 176.5 | -0.1 | 114.7 | K192 | K192-R196 PolarHBondContact O-N 2.89Š|
| 197 | K | 37.6 | Very low | 41.3 | Very low | 188 Ų | 188 | 136 Ų | 136 | 82% | 0.817 | 72% | 0.716 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -85.4 | -15.1 | 176.1 | -88.7 | -171.4 | 175.1 | -175.6 | 0 | 113.9 | G195 | G195-K197 VanDerWaalsContact C-N 3.27Å; G195-K197 PolarHBondContact O-N 3.01Å |
| 198 | T | 36.5 | Very low | 41 | Very low | 121 Ų | 121 | 139.1 Ų | 139.1 | 74% | 0.742 | 73% | 0.732 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -95.3 | -16.3 | -174.1 | -38.5 | 0 | 0 | 0 | 0 | 113.3 | K194 G195 | K194-T198 PolarHBondContact O-OG1 3.3Å; G195-T198 PolarHBondContact O-N 3.47Å |
| 199 | E | 35.4 | Very low | 40.3 | Very low | 183 Ų | 183 | 142.5 Ų | 142.5 | 86% | 0.855 | 75% | 0.748 | S | S | * | * | S | Bend | trans | -97.8 | 4 | -176.8 | -69.3 | -178.8 | 160.9 | 0 | 0 | 114.5 | ||
| 200 | G | 35.7 | Very low | 39.5 | Very low | 65 Ų | 65 | 143.1 Ų | 143.1 | 67% | 0.67 | 76% | 0.762 | S | S | * | * | S | Bend | trans | -115.5 | 43.4 | -169.5 | 0 | 0 | 0 | 0 | 0 | 116.2 | ||
| 201 | K | 35 | Very low | 39.1 | Very low | 202 Ų | 202 | 143 Ų | 143 | 88% | 0.878 | 77% | 0.77 | S | S | * | * | trans | -163.3 | 86.7 | 158.6 | -134.7 | 178 | -178 | -177.3 | 0 | 113.6 | ||||
| 202 | T | 27.9 | Very low | 38.4 | Very low | 147 Ų | 147 | 144.9 Ų | 144.9 | 90% | 0.902 | 78% | 0.781 | S | S | * | * | trans | -140.5 | 100.3 | 149.6 | -35 | 0 | 0 | 0 | 0 | 108.6 | ||||
| 203 | E | 32.3 | Very low | 37.9 | Very low | 182 Ų | 182 | 144.8 Ų | 144.8 | 85% | 0.85 | 79% | 0.787 | S | S | * | * | trans | -113.1 | 110.7 | 164.9 | -81.4 | -176 | 166.4 | 0 | 0 | 108.6 | ||||
| 204 | V | 39.9 | Very low | 37.5 | Very low | 136 Ų | 136 | 145.8 Ų | 145.8 | 82% | 0.824 | 79% | 0.791 | S | S | * | * | trans | 26.9 | 109.4 | 143.2 | -152.8 | 0 | 0 | 0 | 0 | 118.2 | ||||
| 205 | V | 37.3 | Very low | 37.6 | Very low | 148 Ų | 148 | 144.3 Ų | 144.3 | 90% | 0.897 | 79% | 0.787 | S | S | * | * | trans | -124.5 | 133.6 | 154.5 | 177.5 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 206 | N | 35.5 | Very low | 37.5 | Very low | 152 Ų | 152 | 149.5 Ų | 149.5 | 81% | 0.813 | 80% | 0.801 | S | S | * | * | trans | -87.1 | 143.1 | -158.2 | -171.8 | 11.6 | 0 | 0 | 0 | 113.5 | ||||
| 207 | G | 34.8 | Very low | 37.4 | Very low | 66 Ų | 66 | 150.9 Ų | 150.9 | 68% | 0.68 | 82% | 0.823 | S | S | * | * | trans | 58.6 | 114.9 | 132.2 | 0 | 0 | 0 | 0 | 0 | 121.2 | ||||
| 208 | N | 43.6 | Very low | 37.4 | Very low | 166 Ų | 166 | 149 Ų | 149 | 89% | 0.888 | 82% | 0.824 | S | S | * | * | trans | -56.9 | 135.7 | 169.4 | -58.3 | -34.2 | 0 | 0 | 0 | 114.5 | ||||
| 209 | H | 39.8 | Very low | 37.4 | Very low | 183 Ų | 183 | 150.5 Ų | 150.5 | 85% | 0.847 | 83% | 0.828 | S | S | * | * | trans | -173.9 | 126.2 | 136.2 | -129.9 | -70.3 | 0 | 0 | 0 | 112.7 | ||||
| 210 | A | 36.4 | Very low | 37.5 | Very low | 100 Ų | 100 | 148.7 Ų | 148.7 | 83% | 0.826 | 83% | 0.826 | S | S | * | * | trans | -172.8 | 125 | 137.2 | 0 | 0 | 0 | 0 | 0 | 110 | ||||
| 211 | S | 42.5 | Very low | 37.6 | Very low | 103 Ų | 103 | 153.6 Ų | 153.6 | 72% | 0.72 | 84% | 0.835 | S | S | * | * | trans | -71.2 | 148.8 | -173.2 | 44.7 | 0 | 0 | 0 | 0 | 114.7 | ||||
| 212 | N | 43.5 | Very low | 37.8 | Very low | 162 Ų | 162 | 150.6 Ų | 150.6 | 87% | 0.866 | 83% | 0.833 | S | S | * | * | trans | -64.5 | 131.7 | 163 | -121.9 | -53.7 | 0 | 0 | 0 | 110.9 | ||||
| 213 | L | 37.4 | Very low | 38.4 | Very low | 155 Ų | 155 | 150.8 Ų | 150.8 | 81% | 0.812 | 83% | 0.828 | S | S | * | * | trans | -152.3 | 110.3 | 157.1 | -143.1 | 108.5 | 0 | 0 | 0 | 112 | ||||
| 214 | K | 38.5 | Very low | 38.9 | Very low | 169 Ų | 169 | 148.6 Ų | 148.6 | 74% | 0.735 | 83% | 0.827 | S | S | * | * | trans | 50.9 | 123.6 | 149.9 | -79.9 | -177.4 | 164.5 | -174.5 | 0 | 120.5 | ||||
| 215 | Q | 42.1 | Very low | 38.8 | Very low | 141 Ų | 141 | 149.5 Ų | 149.5 | 66% | 0.659 | 83% | 0.827 | S | S | * | * | 100.2 | 139.2 | 57.5 | -158.3 | -174.8 | -31.3 | 0 | 0 | 111.4 | |||||
| 216 | E | 36.5 | Very low | 38.9 | Very low | 150 Ų | 150 | 149.7 Ų | 149.7 | 70% | 0.701 | 82% | 0.821 | S | S | * | * | trans | 83.3 | 101.1 | 167.1 | -50.4 | -70.5 | 120.7 | 0 | 0 | 117.9 | ||||
| 217 | L | 36.4 | Very low | 39.2 | Very low | 249 Ų | 249 | 149.5 Ų | 149.5 | 100% | 1.304 | 82% | 0.822 | S | S | * | * | -174 | 0 | 102.2 | -100 | 157 | 0 | 0 | 0 | 110.9 |
Retrieved 217 of 217 residues in 336.2 ms
(Link to these results)