| 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 | 53.9 | Low | 65.7 | Low | 222 Ų | 222 | 121.9 Ų | 121.9 | 100% | 1.094 | 66% | 0.657 | S | S | * | * | 0 | 76.2 | 0 | -66.3 | 161.8 | 124.6 | 0 | 0 | 108.9 | |||||
| 2 | C | 53.8 | Low | 67 | Low | 107 Ų | 107 | 118.2 Ų | 118.2 | 72% | 0.723 | 65% | 0.646 | S | S | * | * | trans | -140.7 | 0.9 | 178.7 | -62.4 | 0 | 0 | 0 | 0 | 117.1 | ||||
| 3 | P | 56.7 | Low | 68.2 | Low | 91 Ų | 91 | 117.6 Ų | 117.6 | 59% | 0.591 | 64% | 0.641 | S | S | * | * | S | Bend | trans | -88.1 | -23.4 | -179.4 | 32.5 | -32.5 | 0 | 0 | 0 | 114.2 | ||
| 4 | V | 59.7 | Low | 69.3 | Low | 105 Ų | 105 | 122.6 Ų | 122.6 | 64% | 0.636 | 65% | 0.646 | S | S | * | * | H | α-helix | trans | -76.6 | -33 | -174.5 | -89.5 | 0 | 0 | 0 | 0 | 114 | S6 W7 L8 | V4-S6 VanDerWaalsContact C-N 3.3Å; V4-S6 PolarHBondContact O-N 3.07Å; V4-W7 PolarHBondContact O-N 3.47Å; V4-L8 PolarHBondContact O-N 2.93Å |
| 5 | M | 59.6 | Low | 70.6 | Confident | 136 Ų | 136 | 120.9 Ų | 120.9 | 67% | 0.67 | 64% | 0.642 | S | S | * | * | H | α-helix | trans | -70.5 | -28.1 | 177.6 | -71 | 159.7 | 67.4 | 0 | 0 | 112.3 | L9 | M5-L9 WeakPolarHBondContact O-CG 3.43Å; M5-L9 PolarHBondContact O-N 3.49Å |
| 6 | S | 66.7 | Low | 71.6 | Confident | 76 Ų | 76 | 117.5 Ų | 117.5 | 53% | 0.531 | 63% | 0.631 | S | S | . | * | H | α-helix | trans | -71.6 | -37.3 | 177.4 | -178.9 | 0 | 0 | 0 | 0 | 112.1 | V4 C10 | V4-S6 VanDerWaalsContact C-N 3.3Å; V4-S6 PolarHBondContact O-N 3.07Å; S6-C10 WeakPolarHBondContact O-CB 3.37Å; S6-C10 PolarHBondContact O-N 3.03Å; S6-C10 VanDerWaalsContact O-N 3.09Å |
| 7 | W | 66.6 | Low | 72.3 | Confident | 198 Ų | 198 | 116.2 Ų | 116.2 | 75% | 0.75 | 62% | 0.623 | S | S | * | * | H | α-helix | trans | -69.2 | -39.7 | 178 | -82.5 | 53.1 | 0 | 0 | 0 | 112.6 | V4 C10 L11 | V4-W7 PolarHBondContact O-N 3.47Å; W7-C10 PolarHBondContact O-N 3.39Å; W7-L11 WeakPolarHBondContact O-CG 3.37Å; W7-L11 PolarHBondContact O-N 3.5Å |
| 8 | L | 74.3 | Confident | 72.9 | Confident | 111 Ų | 111 | 113.8 Ų | 113.8 | 58% | 0.581 | 61% | 0.613 | S | S | * | * | H | α-helix | trans | -64.3 | -42.1 | 177 | -71.4 | 167.3 | 0 | 0 | 0 | 111.8 | V4 C10 L11 C12 | V4-L8 PolarHBondContact O-N 2.93Å; L8-C10 VanDerWaalsContact C-N 3.34Å; L8-C10 PolarHBondContact O-N 2.97Å; L8-L11 PolarHBondContact O-N 3.36Å; L8-C12 PolarHBondContact O-N 2.88Å; L8-C12 PolarHBondContact O-SG 3.41Å |
| 9 | L | 74.1 | Confident | 73.5 | Confident | 117 Ų | 117 | 110.5 Ų | 110.5 | 61% | 0.613 | 60% | 0.603 | S | S | * | * | H | α-helix | trans | -64.7 | -38.9 | 175.6 | -70.2 | 170.9 | 0 | 0 | 0 | 112 | M5 C12 L13 | M5-L9 WeakPolarHBondContact O-CG 3.43Å; M5-L9 PolarHBondContact O-N 3.49Å; L9-C12 PolarHBondContact O-N 3.32Å; L9-L13 WeakPolarHBondContact O-CG 3.31Å; L9-L13 PolarHBondContact O-N 2.95Å |
| 10 | C | 77.8 | Confident | 74 | Confident | 72 Ų | 72 | 110.2 Ų | 110.2 | 49% | 0.486 | 60% | 0.599 | S | S | . | * | H | α-helix | trans | -66.7 | -41.4 | 177.9 | -145.9 | 0 | 0 | 0 | 0 | 111.8 | S6 W7 L8 L13 W14 | S6-C10 WeakPolarHBondContact O-CB 3.37Å; S6-C10 PolarHBondContact O-N 3.03Å; S6-C10 VanDerWaalsContact O-N 3.09Å; W7-C10 PolarHBondContact O-N 3.39Å; L8-C10 VanDerWaalsContact C-N 3.34Å; L8-C10 PolarHBondContact O-N 2.97Å; C10-L13 PolarHBondContact O-N 3.41Å; C10-W14 WeakPolarHBondContact O-CB 3.48Å; C10-W14 PolarHBondContact O-N 3.33Å |
| 11 | L | 80.1 | Confident | 74.1 | Confident | 106 Ų | 106 | 111 Ų | 111 | 56% | 0.555 | 60% | 0.599 | S | S | * | * | H | α-helix | trans | -62.4 | -44.7 | 173.8 | -75.4 | 168.2 | 0 | 0 | 0 | 111.8 | W7 L8 L13 W14 V15 | W7-L11 WeakPolarHBondContact O-CG 3.37Å; W7-L11 PolarHBondContact O-N 3.5Å; L8-L11 PolarHBondContact O-N 3.36Å; L11-L13 PolarHBondContact O-N 2.94Å; L11-W14 PolarHBondContact O-N 3.41Å; L11-V15 VanDerWaalsContact O-CG2 3.3Å; L11-V15 WeakPolarHBondContact O-CG2 3.49Å; L11-V15 PolarHBondContact O-N 2.98Å |
| 12 | C | 80.4 | Confident | 75.3 | Confident | 77 Ų | 77 | 106.1 Ų | 106.1 | 52% | 0.52 | 58% | 0.577 | S | S | . | * | H | α-helix | trans | -60.8 | -45.7 | 177.3 | -68.9 | 0 | 0 | 0 | 0 | 111.9 | L8 L9 W14 V15 S16 | L8-C12 PolarHBondContact O-N 2.88Å; L8-C12 PolarHBondContact O-SG 3.41Å; L9-C12 PolarHBondContact O-N 3.32Å; C12-W14 PolarHBondContact O-N 2.99Å; C12-V15 PolarHBondContact O-N 3.46Å; C12-S16 PolarHBondContact O-N 3.43Å; C12-S16 PolarHBondContact O-OG 3.39Å |
| 13 | L | 82.6 | Confident | 76.3 | Confident | 111 Ų | 111 | 105.1 Ų | 105.1 | 58% | 0.581 | 57% | 0.57 | S | S | * | * | H | α-helix | trans | -63.5 | -40.3 | 178.2 | -71.1 | 169.2 | 0 | 0 | 0 | 112 | L9 C10 L11 S16 I17 | L9-L13 WeakPolarHBondContact O-CG 3.31Å; L9-L13 PolarHBondContact O-N 2.95Å; C10-L13 PolarHBondContact O-N 3.41Å; L11-L13 PolarHBondContact O-N 2.94Å; L13-S16 PolarHBondContact O-N 3.48Å; L13-I17 WeakPolarHBondContact O-CB 3.46Å; L13-I17 WeakPolarHBondContact O-CD1 3.38Å; L13-I17 WeakPolarHBondContact O-CG1 3.3Å; L13-I17 PolarHBondContact O-N 3.21Å |
| 14 | W | 83.4 | Confident | 77.1 | Confident | 188 Ų | 188 | 105.7 Ų | 105.7 | 71% | 0.712 | 57% | 0.565 | S | S | * | * | H | α-helix | trans | -62.7 | -43.4 | 174.5 | -100 | 48.4 | 0 | 0 | 0 | 112.7 | C10 L11 C12 I17 T18 | C10-W14 WeakPolarHBondContact O-CB 3.48Å; C10-W14 PolarHBondContact O-N 3.33Å; L11-W14 PolarHBondContact O-N 3.41Å; C12-W14 PolarHBondContact O-N 2.99Å; W14-I17 PolarHBondContact O-N 3.5Å; W14-T18 WeakPolarHBondContact O-CB 3.28Å; W14-T18 VanDerWaalsContact O-CG2 3.31Å; W14-T18 WeakPolarHBondContact O-CG2 3.46Å; W14-T18 PolarHBondContact O-N 3.07Å; W14-T18 PolarHBondContact O-OG1 3.46Å |
| 15 | V | 88.8 | Confident | 77.6 | Confident | 96 Ų | 96 | 103.5 Ų | 103.5 | 58% | 0.582 | 56% | 0.558 | S | S | * | * | H | α-helix | trans | -64.7 | -41 | 177.2 | 173.9 | 0 | 0 | 0 | 0 | 111 | L11 C12 T18 A19 | L11-V15 VanDerWaalsContact O-CG2 3.3Å; L11-V15 WeakPolarHBondContact O-CG2 3.49Å; L11-V15 PolarHBondContact O-N 2.98Å; C12-V15 PolarHBondContact O-N 3.46Å; V15-T18 WeakPolarHBondContact CA-OG1 3.48Å; V15-T18 PolarHBondContact O-OG1 3.4Å; V15-A19 WeakPolarHBondContact O-CB 3.42Å; V15-A19 PolarHBondContact O-N 2.94Å |
| 16 | S | 86.6 | Confident | 77.9 | Confident | 67 Ų | 67 | 101 Ų | 101 | 47% | 0.469 | 55% | 0.55 | S | S | . | * | H | α-helix | trans | -64.5 | -43.5 | 176.3 | -56.9 | 0 | 0 | 0 | 0 | 112.4 | C12 L13 A19 I20 | C12-S16 PolarHBondContact O-N 3.43Å; C12-S16 PolarHBondContact O-OG 3.39Å; L13-S16 PolarHBondContact O-N 3.48Å; S16-A19 PolarHBondContact O-N 3.48Å; S16-I20 WeakPolarHBondContact O-CD1 3.47Å; S16-I20 VanDerWaalsContact O-CG1 3.27Å; S16-I20 WeakPolarHBondContact O-CG1 3.47Å; S16-I20 PolarHBondContact O-N 3.32Å |
| 17 | I | 84.9 | Confident | 77.8 | Confident | 96 Ų | 96 | 103.8 Ų | 103.8 | 49% | 0.492 | 55% | 0.553 | S | S | . | * | H | α-helix | trans | -66 | -43.1 | 179.8 | -69.5 | 166.5 | 0 | 0 | 0 | 111 | L13 W14 A19 I20 Q21 | L13-I17 WeakPolarHBondContact O-CB 3.46Å; L13-I17 WeakPolarHBondContact O-CD1 3.38Å; L13-I17 WeakPolarHBondContact O-CG1 3.3Å; L13-I17 PolarHBondContact O-N 3.21Å; W14-I17 PolarHBondContact O-N 3.5Å; I17-A19 PolarHBondContact O-N 3.31Å; I17-I20 PolarHBondContact O-N 3.24Å; I17-Q21 WeakPolarHBondContact O-CG 3.22Å; I17-Q21 PolarHBondContact O-N 3.2Å |
| 18 | T | 82.5 | Confident | 77.6 | Confident | 72 Ų | 72 | 101.7 Ų | 101.7 | 44% | 0.442 | 55% | 0.546 | S | S | . | . | H | α-helix | trans | -64.4 | -39.2 | 177.5 | 50.1 | 0 | 0 | 0 | 0 | 111.9 | W14 V15 Q21 L22 | W14-T18 WeakPolarHBondContact O-CB 3.28Å; W14-T18 VanDerWaalsContact O-CG2 3.31Å; W14-T18 WeakPolarHBondContact O-CG2 3.46Å; W14-T18 PolarHBondContact O-N 3.07Å; W14-T18 PolarHBondContact O-OG1 3.46Å; V15-T18 WeakPolarHBondContact CA-OG1 3.48Å; V15-T18 PolarHBondContact O-OG1 3.4Å; T18-Q21 PolarHBondContact O-N 3.37Å; T18-L22 WeakPolarHBondContact O-CB 3.38Å; T18-L22 WeakPolarHBondContact O-CG 3.18Å; T18-L22 PolarHBondContact O-N 3.46Å |
| 19 | A | 83.8 | Confident | 76.8 | Confident | 52 Ų | 52 | 101.6 Ų | 101.6 | 43% | 0.43 | 55% | 0.546 | S | S | . | . | H | α-helix | trans | -62.9 | -41.5 | 173.9 | 0 | 0 | 0 | 0 | 0 | 112.6 | V15 S16 I17 L22 C23 | V15-A19 WeakPolarHBondContact O-CB 3.42Å; V15-A19 PolarHBondContact O-N 2.94Å; S16-A19 PolarHBondContact O-N 3.48Å; I17-A19 PolarHBondContact O-N 3.31Å; A19-L22 PolarHBondContact O-N 3Å; A19-C23 PolarHBondContact O-N 3.09Å |
| 20 | I | 83 | Confident | 76 | Confident | 103 Ų | 103 | 100.6 Ų | 100.6 | 53% | 0.528 | 55% | 0.545 | S | S | . | . | H | α-helix | trans | -65.6 | -42.2 | 177.2 | -67 | 164.1 | 0 | 0 | 0 | 110.9 | S16 I17 C23 Q24 | S16-I20 WeakPolarHBondContact O-CD1 3.47Å; S16-I20 VanDerWaalsContact O-CG1 3.27Å; S16-I20 WeakPolarHBondContact O-CG1 3.47Å; S16-I20 PolarHBondContact O-N 3.32Å; I17-I20 PolarHBondContact O-N 3.24Å; I20-C23 PolarHBondContact O-N 3.42Å; I20-Q24 HydrophobicContact CG2-CG 4.37Å; I20-Q24 WeakPolarHBondContact O-CG 3.44Å; I20-Q24 PolarHBondContact O-N 2.95Å |
| 21 | Q | 77.9 | Confident | 75 | Confident | 129 Ų | 129 | 102.4 Ų | 102.4 | 60% | 0.603 | 55% | 0.549 | S | S | * | . | H | α-helix | trans | -64.4 | -40 | 177 | -73.4 | -70.5 | -18.4 | 0 | 0 | 112.2 | I17 T18 Q24 A25 | I17-Q21 WeakPolarHBondContact O-CG 3.22Å; I17-Q21 PolarHBondContact O-N 3.2Å; T18-Q21 PolarHBondContact O-N 3.37Å; Q21-Q24 PolarHBondContact O-N 2.98Å; Q21-A25 WeakPolarHBondContact O-CB 3.38Å; Q21-A25 PolarHBondContact O-N 3.32Å |
| 22 | L | 78.3 | Confident | 73.5 | Confident | 119 Ų | 119 | 104.6 Ų | 104.6 | 62% | 0.623 | 56% | 0.556 | S | S | * | * | H | α-helix | trans | -64.1 | -43.3 | 174.1 | -77.7 | 160.1 | 0 | 0 | 0 | 111.8 | T18 A19 Q24 A25 T26 | T18-L22 WeakPolarHBondContact O-CB 3.38Å; T18-L22 WeakPolarHBondContact O-CG 3.18Å; T18-L22 PolarHBondContact O-N 3.46Å; A19-L22 PolarHBondContact O-N 3Å; L22-Q24 PolarHBondContact O-N 3.47Å; L22-A25 PolarHBondContact O-N 3.48Å; L22-T26 WeakPolarHBondContact O-CG2 3.49Å; L22-T26 PolarHBondContact O-N 3.43Å; L22-T26 PolarHBondContact O-OG1 3.02Å |
| 23 | C | 74.1 | Confident | 71.9 | Confident | 86 Ų | 86 | 107.9 Ų | 107.9 | 58% | 0.581 | 56% | 0.564 | S | S | * | * | H | α-helix | trans | -60.2 | -45.7 | 174 | -96.4 | 0 | 0 | 0 | 0 | 112.1 | A19 I20 A25 T26 F27 | A19-C23 PolarHBondContact O-N 3.09Å; I20-C23 PolarHBondContact O-N 3.42Å; C23-A25 VanDerWaalsContact C-N 3.34Å; C23-A25 PolarHBondContact O-N 3.4Å; C23-T26 WeakPolarHBondContact CA-OG1 3.37Å; C23-T26 PolarHBondContact O-N 3.4Å; C23-T26 PolarHBondContact O-OG1 3.29Å; C23-F27 WeakPolarHBondContact O-CB 3.5Å; C23-F27 PolarHBondContact O-N 3.37Å |
| 24 | Q | 74.4 | Confident | 70.4 | Confident | 102 Ų | 102 | 111.5 Ų | 111.5 | 48% | 0.477 | 58% | 0.578 | S | S | . | * | H | α-helix | trans | -60.2 | -45 | 177.2 | -68.2 | -106.2 | -18.3 | 0 | 0 | 110.9 | I20 Q21 L22 T26 F27 Y28 | I20-Q24 HydrophobicContact CG2-CG 4.37Å; I20-Q24 WeakPolarHBondContact O-CG 3.44Å; I20-Q24 PolarHBondContact O-N 2.95Å; Q21-Q24 PolarHBondContact O-N 2.98Å; L22-Q24 PolarHBondContact O-N 3.47Å; Q24-T26 PolarHBondContact O-N 2.98Å; Q24-F27 PolarHBondContact O-N 2.97Å; Q24-Y28 VanDerWaalsContact O-CD2 3.28Å; Q24-Y28 WeakPolarHBondContact O-CD2 3.33Å; Q24-Y28 PolarHBondContact O-N 2.76Å |
| 25 | A | 69.7 | Low | 68.5 | Low | 59 Ų | 59 | 107.2 Ų | 107.2 | 49% | 0.488 | 57% | 0.574 | S | S | . | * | H | α-helix | trans | -61 | -44.2 | 177.1 | 0 | 0 | 0 | 0 | 0 | 112.5 | Q21 L22 C23 F27 Y28 D29 | Q21-A25 WeakPolarHBondContact O-CB 3.38Å; Q21-A25 PolarHBondContact O-N 3.32Å; L22-A25 PolarHBondContact O-N 3.48Å; C23-A25 VanDerWaalsContact C-N 3.34Å; C23-A25 PolarHBondContact O-N 3.4Å; A25-F27 VanDerWaalsContact C-N 3.31Å; A25-F27 PolarHBondContact O-N 2.97Å; A25-Y28 PolarHBondContact O-N 2.83Å; A25-D29 WeakPolarHBondContact O-CB 3.36Å; A25-D29 PolarHBondContact O-N 3.29Å |
| 26 | T | 66.8 | Low | 66.6 | Low | 84 Ų | 84 | 106.5 Ų | 106.5 | 52% | 0.515 | 59% | 0.586 | S | S | . | * | H | α-helix | trans | -63.5 | -35.7 | 175.5 | 56.4 | 0 | 0 | 0 | 0 | 112.9 | L22 C23 Q24 T30 | L22-T26 WeakPolarHBondContact O-CG2 3.49Å; L22-T26 PolarHBondContact O-N 3.43Å; L22-T26 PolarHBondContact O-OG1 3.02Å; C23-T26 WeakPolarHBondContact CA-OG1 3.37Å; C23-T26 PolarHBondContact O-N 3.4Å; C23-T26 PolarHBondContact O-OG1 3.29Å; Q24-T26 PolarHBondContact O-N 2.98Å; T26-T30 PolarHBondContact O-N 3.04Å; T26-T30 PolarHBondContact O-OG1 3.35Å |
| 27 | F | 64.1 | Low | 64.3 | Low | 134 Ų | 134 | 109.9 Ų | 109.9 | 59% | 0.588 | 60% | 0.604 | S | S | * | * | H | α-helix | trans | -71 | -42.4 | 179 | -170.5 | -98.5 | 0 | 0 | 0 | 111.6 | C23 Q24 A25 D29 T30 I31 | C23-F27 WeakPolarHBondContact O-CB 3.5Å; C23-F27 PolarHBondContact O-N 3.37Å; Q24-F27 PolarHBondContact O-N 2.97Å; A25-F27 VanDerWaalsContact C-N 3.31Å; A25-F27 PolarHBondContact O-N 2.97Å; F27-D29 VanDerWaalsContact C-N 3.35Å; F27-D29 PolarHBondContact O-N 3.45Å; F27-T30 PolarHBondContact O-N 3Å; F27-I31 HydrophobicContact CD1-CG1 4.23Å; F27-I31 HydrophobicContact CE1-CD1 4.25Å; F27-I31 HydrophobicContact CE1-CG1 3.94Å; F27-I31 HydrophobicContact CZ-CD1 4.26Å; F27-I31 HydrophobicContact CZ-CG1 4.34Å; F27-I31 WeakPolarHBondContact O-CG1 3.49Å; F27-I31 PolarHBondContact O-N 2.99Å |
| 28 | Y | 61.6 | Low | 62.4 | Low | 155 Ų | 155 | 117 Ų | 117 | 61% | 0.608 | 62% | 0.624 | S | S | * | * | H | α-helix | trans | -63.2 | -39.6 | 174.1 | -87.1 | -73.6 | 0 | 0 | 0 | 112.3 | Q24 A25 T30 I31 Q32 | Q24-Y28 VanDerWaalsContact O-CD2 3.28Å; Q24-Y28 WeakPolarHBondContact O-CD2 3.33Å; Q24-Y28 PolarHBondContact O-N 2.76Å; A25-Y28 PolarHBondContact O-N 2.83Å; Y28-T30 VanDerWaalsContact C-N 3.3Å; Y28-T30 PolarHBondContact O-N 2.94Å; Y28-I31 PolarHBondContact O-N 2.73Å; Y28-Q32 PolarHBondContact O-N 3.26Å |
| 29 | D | 57.2 | Low | 60.4 | Low | 109 Ų | 109 | 119.5 Ų | 119.5 | 58% | 0.583 | 64% | 0.642 | S | S | * | * | H | α-helix | trans | -66.3 | -33.3 | 176.5 | -154.9 | 26.6 | 0 | 0 | 0 | 111.8 | A25 F27 | A25-D29 WeakPolarHBondContact O-CB 3.36Å; A25-D29 PolarHBondContact O-N 3.29Å; F27-D29 VanDerWaalsContact C-N 3.35Å; F27-D29 PolarHBondContact O-N 3.45Å |
| 30 | T | 57.3 | Low | 58.5 | Low | 96 Ų | 96 | 120.9 Ų | 120.9 | 59% | 0.589 | 66% | 0.661 | S | S | * | * | H | α-helix | trans | -69.3 | -36 | 174 | -49.7 | 0 | 0 | 0 | 0 | 112.2 | T26 F27 Y28 | T26-T30 PolarHBondContact O-N 3.04Å; T26-T30 PolarHBondContact O-OG1 3.35Å; F27-T30 PolarHBondContact O-N 3Å; Y28-T30 VanDerWaalsContact C-N 3.3Å; Y28-T30 PolarHBondContact O-N 2.94Å |
| 31 | I | 57.3 | Low | 56.5 | Low | 109 Ų | 109 | 127 Ų | 127 | 56% | 0.559 | 68% | 0.678 | S | S | * | * | H | α-helix | trans | -75.1 | -30 | 179.2 | -65.7 | -77.3 | 0 | 0 | 0 | 111.7 | F27 Y28 Q33 | F27-I31 HydrophobicContact CD1-CG1 4.23Å; F27-I31 HydrophobicContact CE1-CD1 4.25Å; F27-I31 HydrophobicContact CE1-CG1 3.94Å; F27-I31 HydrophobicContact CZ-CD1 4.26Å; F27-I31 HydrophobicContact CZ-CG1 4.34Å; F27-I31 WeakPolarHBondContact O-CG1 3.49Å; F27-I31 PolarHBondContact O-N 2.99Å; Y28-I31 PolarHBondContact O-N 2.73Å; I31-Q33 VanDerWaalsContact C-N 3.34Å; I31-Q33 PolarHBondContact O-N 2.77Å |
| 32 | Q | 48.2 | Very low | 54.6 | Low | 153 Ų | 153 | 126.9 Ų | 126.9 | 72% | 0.715 | 69% | 0.686 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -81.5 | -2.3 | 179.5 | -74.9 | -154.6 | -33.9 | 0 | 0 | 115 | Y28 H34 P35 | Y28-Q32 PolarHBondContact O-N 3.26Å; Q32-H34 PolarHBondContact O-N 3.06Å; Q32-H34 VanDerWaalsContact O-N 3.07Å; Q32-P35 WeakPolarHBondContact O-CD 3.27Å |
| 33 | Q | 46.8 | Very low | 52.7 | Low | 145 Ų | 145 | 127 Ų | 127 | 68% | 0.678 | 69% | 0.692 | S | S | * | * | trans | -76.1 | 19 | 177.3 | -82.4 | -175.6 | -12.9 | 0 | 0 | 115.8 | I31 | I31-Q33 VanDerWaalsContact C-N 3.34Å; I31-Q33 PolarHBondContact O-N 2.77Å | ||
| 34 | H | 52 | Low | 51.2 | Low | 188 Ų | 188 | 128.9 Ų | 128.9 | 87% | 0.87 | 70% | 0.695 | S | S | * | * | trans | -100.7 | 76.1 | 159.2 | -73.8 | -51 | 0 | 0 | 0 | 112.5 | Q32 | Q32-H34 PolarHBondContact O-N 3.06Å; Q32-H34 VanDerWaalsContact O-N 3.07Å | ||
| 35 | P | 43.6 | Very low | 49.7 | Very low | 98 Ų | 98 | 130.3 Ų | 130.3 | 64% | 0.636 | 70% | 0.701 | S | S | * | * | S | Bend | trans | -126.5 | 128 | 142.3 | 14.9 | 7.3 | 0 | 0 | 0 | 109.7 | Q32 | Q32-P35 WeakPolarHBondContact O-CD 3.27Š|
| 36 | G | 49 | Very low | 48.4 | Very low | 80 Ų | 80 | 132.7 Ų | 132.7 | 83% | 0.825 | 71% | 0.71 | S | S | * | * | trans | -53.6 | 142.9 | -174.5 | 0 | 0 | 0 | 0 | 0 | 114.9 | ||||
| 37 | T | 38.8 | Very low | 47.6 | Very low | 138 Ų | 138 | 132.3 Ų | 132.3 | 85% | 0.847 | 70% | 0.704 | S | S | * | * | trans | -156.8 | 128.8 | 151.6 | 4.6 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 38 | R | 43.7 | Very low | 47.7 | Very low | 246 Ų | 246 | 134.7 Ų | 134.7 | 93% | 0.928 | 72% | 0.717 | S | S | * | * | trans | -61 | 145.9 | 172.4 | -68.6 | 174.5 | 176.8 | -177.2 | -0.8 | 110.6 | ||||
| 39 | P | 41.3 | Very low | 48.3 | Very low | 124 Ų | 124 | 127.5 Ų | 127.5 | 81% | 0.805 | 69% | 0.69 | S | S | * | * | -131.8 | 129.7 | 125.1 | 20.3 | -1.5 | 0 | 0 | 0 | 111 | R41 | P39-R41 PolarHBondContact O-N 3.02Š| |||
| 40 | G | 42.6 | Very low | 49.7 | Very low | 82 Ų | 82 | 123.1 Ų | 123.1 | 85% | 0.845 | 67% | 0.671 | S | S | * | * | trans | -71.9 | 119.8 | 176.7 | 0 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 41 | R | 41.2 | Very low | 51.3 | Low | 231 Ų | 231 | 122.5 Ų | 122.5 | 87% | 0.872 | 67% | 0.667 | S | S | * | * | S | Bend | trans | -172.6 | 111.9 | 142.6 | -155.3 | 152.3 | -178.9 | 144.5 | -1.7 | 108.3 | P39 | P39-R41 PolarHBondContact O-N 3.02Š|
| 42 | T | 39.3 | Very low | 53 | Low | 126 Ų | 126 | 119 Ų | 119 | 77% | 0.773 | 65% | 0.652 | S | S | * | * | trans | 47.5 | 81.9 | 172.2 | 24.2 | 0 | 0 | 0 | 0 | 114.3 | I44 | T42-I44 PolarHBondContact O-N 3.38Š| ||
| 43 | T | 38 | Very low | 55.1 | Low | 122 Ų | 122 | 118.2 Ų | 118.2 | 75% | 0.748 | 65% | 0.648 | S | S | * | * | trans | -63.6 | 85.6 | 157.8 | 50.1 | 0 | 0 | 0 | 0 | 108.5 | H45 | T43-H45 PolarHBondContact O-N 3.48Š| ||
| 44 | I | 43 | Very low | 57.2 | Low | 125 Ų | 125 | 113.9 Ų | 113.9 | 64% | 0.641 | 63% | 0.631 | S | S | * | * | trans | -67.2 | 88.1 | 145.4 | -60 | -179.4 | 0 | 0 | 0 | 103.1 | T42 T46 | T42-I44 PolarHBondContact O-N 3.38Å; I44-T46 PolarHBondContact O-N 2.84Å | ||
| 45 | H | 42.9 | Very low | 59.3 | Low | 133 Ų | 133 | 109.7 Ų | 109.7 | 62% | 0.616 | 61% | 0.614 | S | S | * | * | trans | -64.1 | 91.4 | 157.2 | -93.9 | -96.2 | 0 | 0 | 0 | 104.4 | T43 I47 | T43-H45 PolarHBondContact O-N 3.48Å; H45-I47 HydrophobicContact CB-CG1 4.09Å; H45-I47 PolarHBondContact O-N 3.08Å | ||
| 46 | T | 42.1 | Very low | 61.6 | Low | 109 Ų | 109 | 106.5 Ų | 106.5 | 67% | 0.669 | 60% | 0.597 | S | S | * | * | trans | -67 | 76.8 | 160.4 | -23.2 | 0 | 0 | 0 | 0 | 105.2 | I44 E48 | I44-T46 PolarHBondContact O-N 2.84Å; T46-E48 PolarHBondContact O-N 3.12Å | ||
| 47 | I | 49.3 | Very low | 63.6 | Low | 76 Ų | 76 | 105.8 Ų | 105.8 | 39% | 0.39 | 58% | 0.582 | S | S | . | * | trans | -66.4 | 112.9 | 160.6 | -54.5 | 178.9 | 0 | 0 | 0 | 102.6 | H45 G49 | H45-I47 HydrophobicContact CB-CG1 4.09Å; H45-I47 PolarHBondContact O-N 3.08Å; I47-G49 PolarHBondContact O-N 3.03Å | ||
| 48 | E | 65.8 | Low | 66 | Low | 183 Ų | 183 | 105.1 Ų | 105.1 | 86% | 0.855 | 57% | 0.57 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -41.4 | 100.4 | -179.3 | -63 | -172.7 | 145.3 | 0 | 0 | 110.7 | T46 | T46-E48 PolarHBondContact O-N 3.12Š|
| 49 | G | 74.8 | Confident | 68.2 | Low | 4 Ų | 4 | 101.8 Ų | 101.8 | 4% | 0.041 | 56% | 0.557 | C | S | . | * | T | Hydrogen-bonded Turn | trans | 151.4 | -14.8 | -174 | 0 | 0 | 0 | 0 | 0 | 117.4 | I47 C77 L78 C92 | I47-G49 PolarHBondContact O-N 3.03Å; G49-C77 CarbonylContact O-C 3.55Å; G49-C77 WeakPolarHBondContact O-CA 3.42Å; G49-L78 PolarHBondContact O-N 2.95Å; G49-C92 WeakPolarHBondContact O-CB 3.47Å |
| 50 | G | 86.4 | Confident | 70.3 | Confident | 18 Ų | 18 | 99 Ų | 99 | 19% | 0.186 | 54% | 0.54 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 145.7 | -165.3 | 174.2 | 0 | 0 | 0 | 0 | 0 | 114.8 | S76 | G50-S76 CarbonylContact C-O 3.57Å; G50-S76 WeakPolarHBondContact CA-O 3.45Å |
| 51 | T | 91.1 | Very high | 72.4 | Confident | 82 Ų | 82 | 99.8 Ų | 99.8 | 50% | 0.503 | 53% | 0.531 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.9 | 136.2 | 179.1 | 58.3 | 0 | 0 | 0 | 0 | 111.3 | C75 S76 | T51-C75 CarbonylContact O-C 3.57Å; T51-C75 VanDerWaalsContact O-CA 3.26Å; T51-C75 WeakPolarHBondContact O-CA 3.45Å; T51-S76 PolarHBondContact N-O 2.79Å; T51-S76 PolarHBondContact O-N 2.79Å |
| 52 | C | 92.6 | Very high | 74.4 | Confident | 36 Ų | 36 | 93 Ų | 93 | 24% | 0.243 | 51% | 0.512 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.3 | 136.8 | 172.4 | -70.4 | 0 | 0 | 0 | 0 | 111.1 | V73 K74 C75 P90 | C52-V73 HydrophobicContact CB-CG1 4.28Å; C52-K74 CarbonylContact C-O 3.58Å; C52-K74 WeakPolarHBondContact CA-O 3.47Å; C52-C75 HydrophobicContact CB-CB 4.19Å; C52-C75 WeakPolarHBondContact CB-SG 3.46Å; C52-C75 WeakPolarHBondContact SG-CB 3.39Å; C52-C75 CovalentContact SG-SG 2.05Å; C52-C75 PolarHBondContact SG-SG 2.89Å; C52-P90 HydrophobicContact CB-CB 3.93Å; C52-P90 HydrophobicContact CB-CG 4.32Å |
| 53 | E | 92.4 | Very high | 76.4 | Confident | 136 Ų | 136 | 96.7 Ų | 96.7 | 64% | 0.636 | 52% | 0.518 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -132.6 | 135.6 | -179.7 | -174.9 | 177.1 | -166.8 | 0 | 0 | 110.6 | I55 V73 K74 | E53-I55 PolarHBondContact O-N 2.79Å; E53-V73 CarbonylContact O-C 3.54Å; E53-V73 WeakPolarHBondContact O-CA 3.4Å; E53-K74 PolarHBondContact N-O 3.04Å; E53-K74 PolarHBondContact O-N 2.65Å |
| 54 | V | 91.9 | Very high | 78.7 | Confident | 54 Ų | 54 | 96.9 Ų | 96.9 | 33% | 0.327 | 51% | 0.514 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -79.2 | 108.6 | 171.1 | -178.6 | 0 | 0 | 0 | 0 | 108 | A56 A57 Q71 T72 V73 P90 | V54-A56 WeakPolarHBondContact CG1-O 3.36Å; V54-A57 HydrophobicContact CG1-CB 4.29Å; V54-Q71 HydrophobicContact CG1-CB 4.18Å; V54-Q71 HydrophobicContact CG1-CG 4.34Å; V54-T72 CarbonylContact C-O 3.52Å; V54-V73 HydrophobicContact CG2-CG2 4.25Å; V54-P90 HydrophobicContact CG2-CG 3.84Å |
| 55 | I | 94.8 | Very high | 80.4 | Confident | 100 Ų | 100 | 102.2 Ų | 102.2 | 51% | 0.513 | 53% | 0.526 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.6 | -21.3 | -176.7 | 60.7 | 168.4 | 0 | 0 | 0 | 113.1 | E53 T72 K74 | E53-I55 PolarHBondContact O-N 2.79Å; I55-T72 HydrophobicContact CD1-CG2 3.79Å; I55-T72 HydrophobicContact CG1-CG2 3.79Å; I55-T72 WeakPolarHBondContact CG1-O 3.26Å; I55-T72 PolarHBondContact N-O 2.87Å; I55-K74 HydrophobicContact CD1-CB 4.36Å; I55-K74 HydrophobicContact CG2-CB 3.75Å |
| 56 | A | 91.9 | Very high | 82.2 | Confident | 32 Ų | 32 | 100.6 Ų | 100.6 | 26% | 0.264 | 52% | 0.521 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -148.4 | 147.4 | 172.4 | 0 | 0 | 0 | 0 | 0 | 110.1 | V54 Q71 T72 | V54-A56 WeakPolarHBondContact CG1-O 3.36Å; A56-Q71 CarbonylContact O-C 3.55Å; A56-Q71 WeakPolarHBondContact O-CA 3.21Å; A56-T72 PolarHBondContact N-O 2.97Å; A56-T72 PolarHBondContact O-N 2.84Å |
| 57 | A | 90.8 | Very high | 84.2 | Confident | 64 Ų | 64 | 100.4 Ų | 100.4 | 53% | 0.529 | 51% | 0.512 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -143.2 | 128.3 | 175 | 0 | 0 | 0 | 0 | 0 | 109.9 | V54 S70 Q71 | V54-A57 HydrophobicContact CG1-CB 4.29Å; A57-S70 CarbonylContact C-O 3.53Å; A57-S70 WeakPolarHBondContact CA-O 3.03Å; A57-Q71 HydrophobicContact CB-CG 4.23Å |
| 58 | H | 90.4 | Very high | 85.8 | Confident | 125 Ų | 125 | 102.2 Ų | 102.2 | 58% | 0.579 | 52% | 0.519 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -122.8 | 139.5 | 174.6 | -66.9 | -77 | 0 | 0 | 0 | 109.4 | S70 | H58-S70 PolarHBondContact N-O 2.94Å; H58-S70 PolarHBondContact O-N 2.84Å; H58-S70 VanDerWaalsContact O-O 3.14Å |
| 59 | R | 89.3 | Confident | 86.6 | Confident | 176 Ų | 176 | 100.7 Ų | 100.7 | 66% | 0.664 | 51% | 0.506 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -121.6 | 117.2 | 175.6 | -170.4 | -179.9 | -173.7 | -174.2 | 0.2 | 107.3 | E67 E68 | R59-E67 HydrophobicContact CG-CG 4.25Å; R59-E67 IonicContact CZ-OE1 2.65Å; R59-E67 IonicContact CZ-OE2 3.71Å; R59-E67 IonicContact NE-OE1 3.94Å; R59-E67 PolarHBondContact NE-OE1 2.88Å; R59-E67 IonicContact NE-OE2 3.03Å; R59-E67 IonicContact NH2-OE1 2.83Å; R59-E67 PolarHBondContact NH2-OE1 3.27Å; R59-E67 IonicContact NH2-OE2 2.76Å; R59-E67 PolarHBondContact NH2-OE2 3.02Å; R59-E68 WeakPolarHBondContact CA-O 3.01Å |
| 60 | C | 86.4 | Confident | 87.1 | Confident | 66 Ų | 66 | 103.1 Ų | 103.1 | 45% | 0.446 | 52% | 0.522 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.7 | 155.2 | 179.4 | -68.3 | 0 | 0 | 0 | 0 | 109.1 | E68 | C60-E68 HydrophobicContact CB-CB 4.41Å; C60-E68 PolarHBondContact N-O 3.19Å; C60-E68 PolarHBondContact O-N 2.83Å |
| 61 | C | 86.4 | Confident | 87.2 | Confident | 98 Ų | 98 | 105.8 Ų | 105.8 | 66% | 0.662 | 53% | 0.529 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -123.1 | 125.4 | 171.3 | -66.1 | 0 | 0 | 0 | 0 | 108.1 | I66 | C61-I66 WeakPolarHBondContact CA-O 3.47Å |
| 62 | N | 83.4 | Confident | 87.1 | Confident | 88 Ų | 88 | 105.5 Ų | 105.5 | 47% | 0.471 | 53% | 0.528 | S | S | . | . | trans | -77.3 | 161.4 | 172.3 | -169.2 | -4.1 | 0 | 0 | 0 | 110.3 | N64 R65 I66 | N62-N64 PolarHBondContact O-N 3.46Å; N62-R65 WeakPolarHBondContact O-CA 3.39Å; N62-R65 PolarHBondContact O-N 3.17Å; N62-I66 HydrophobicContact CB-CB 4.41Å; N62-I66 PolarHBondContact N-O 2.96Å | ||
| 63 | K | 81.4 | Confident | 87 | Confident | 204 Ų | 204 | 106.6 Ų | 106.6 | 89% | 0.887 | 53% | 0.533 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -50.2 | -28.7 | 176.1 | -69.6 | -177.1 | 179.3 | 178.1 | 0 | 113.4 | R65 | K63-R65 PolarHBondContact O-N 2.93Š|
| 64 | N | 85.5 | Confident | 87.1 | Confident | 125 Ų | 125 | 106.5 Ų | 106.5 | 67% | 0.668 | 53% | 0.531 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -80.5 | 12.2 | 176.1 | -64.4 | -15 | 0 | 0 | 0 | 114 | N62 I66 | N62-N64 PolarHBondContact O-N 3.46Å; N64-I66 HydrophobicContact CB-CD1 3.99Å; N64-I66 HydrophobicContact CB-CG1 4.01Å; N64-I66 PolarHBondContact O-N 2.68Å; N64-I66 VanDerWaalsContact O-N 3.17Å |
| 65 | R | 79.7 | Confident | 87.2 | Confident | 237 Ų | 237 | 105.7 Ų | 105.7 | 89% | 0.894 | 53% | 0.527 | S | S | * | . | trans | 55.4 | 26.3 | -172.4 | -56.2 | -176.8 | -177.9 | 153.5 | 0.4 | 113.7 | N62 K63 E67 | N62-R65 WeakPolarHBondContact O-CA 3.39Å; N62-R65 PolarHBondContact O-N 3.17Å; K63-R65 PolarHBondContact O-N 2.93Å; R65-E67 PolarHBondContact O-N 2.99Å | ||
| 66 | I | 79.4 | Confident | 87.2 | Confident | 100 Ų | 100 | 104.3 Ų | 104.3 | 51% | 0.513 | 53% | 0.526 | S | S | . | . | trans | -79.7 | 118.8 | 170.6 | -59.1 | 171.4 | 0 | 0 | 0 | 106.6 | C61 N62 N64 | C61-I66 WeakPolarHBondContact CA-O 3.47Å; N62-I66 HydrophobicContact CB-CB 4.41Å; N62-I66 PolarHBondContact N-O 2.96Å; N64-I66 HydrophobicContact CB-CD1 3.99Å; N64-I66 HydrophobicContact CB-CG1 4.01Å; N64-I66 PolarHBondContact O-N 2.68Å; N64-I66 VanDerWaalsContact O-N 3.17Å | ||
| 67 | E | 83.5 | Confident | 87.3 | Confident | 104 Ų | 104 | 104.8 Ų | 104.8 | 49% | 0.486 | 53% | 0.527 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -78.3 | 119.5 | 173.1 | -174.5 | -175.7 | 152.8 | 0 | 0 | 109.3 | R59 R65 | R59-E67 HydrophobicContact CG-CG 4.25Å; R59-E67 IonicContact CZ-OE1 2.65Å; R59-E67 IonicContact CZ-OE2 3.71Å; R59-E67 IonicContact NE-OE1 3.94Å; R59-E67 PolarHBondContact NE-OE1 2.88Å; R59-E67 IonicContact NE-OE2 3.03Å; R59-E67 IonicContact NH2-OE1 2.83Å; R59-E67 PolarHBondContact NH2-OE1 3.27Å; R59-E67 IonicContact NH2-OE2 2.76Å; R59-E67 PolarHBondContact NH2-OE2 3.02Å; R65-E67 PolarHBondContact O-N 2.99Å |
| 68 | E | 83.8 | Confident | 87.4 | Confident | 115 Ų | 115 | 106.7 Ų | 106.7 | 54% | 0.537 | 53% | 0.528 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.9 | 125.3 | 175.9 | -172.8 | 173.1 | -178.1 | 0 | 0 | 109.2 | R59 C60 | R59-E68 WeakPolarHBondContact CA-O 3.01Å; C60-E68 HydrophobicContact CB-CB 4.41Å; C60-E68 PolarHBondContact N-O 3.19Å; C60-E68 PolarHBondContact O-N 2.83Å |
| 69 | R | 82.8 | Confident | 87.6 | Confident | 150 Ų | 150 | 107 Ų | 107 | 57% | 0.566 | 54% | 0.541 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -116.5 | 108.2 | 179.3 | -171.2 | -176.3 | -168.7 | -164.9 | 4.7 | 108.8 | Q71 | R69-Q71 HydrophobicContact CG-CG 4.39Å |
| 70 | S | 85.4 | Confident | 87.7 | Confident | 55 Ų | 55 | 101.1 Ų | 101.1 | 39% | 0.385 | 54% | 0.535 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.7 | 130.8 | 175.3 | -45.5 | 0 | 0 | 0 | 0 | 108.8 | A57 H58 | A57-S70 CarbonylContact C-O 3.53Å; A57-S70 WeakPolarHBondContact CA-O 3.03Å; H58-S70 PolarHBondContact N-O 2.94Å; H58-S70 PolarHBondContact O-N 2.84Å; H58-S70 VanDerWaalsContact O-O 3.14Å |
| 71 | Q | 88.2 | Confident | 88 | Confident | 74 Ų | 74 | 101.1 Ų | 101.1 | 35% | 0.346 | 53% | 0.528 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.3 | 134.4 | 175 | -65.1 | -172.3 | -46.5 | 0 | 0 | 108.8 | V54 A56 A57 R69 V73 | V54-Q71 HydrophobicContact CG1-CB 4.18Å; V54-Q71 HydrophobicContact CG1-CG 4.34Å; A56-Q71 CarbonylContact O-C 3.55Å; A56-Q71 WeakPolarHBondContact O-CA 3.21Å; A57-Q71 HydrophobicContact CB-CG 4.23Å; R69-Q71 HydrophobicContact CG-CG 4.39Å; Q71-V73 HydrophobicContact CB-CG2 4.44Å |
| 72 | T | 89.6 | Confident | 88.3 | Confident | 77 Ų | 77 | 99 Ų | 99 | 47% | 0.472 | 51% | 0.512 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.9 | 125.5 | 167.7 | -49.7 | 0 | 0 | 0 | 0 | 107.5 | V54 I55 A56 | V54-T72 CarbonylContact C-O 3.52Å; I55-T72 HydrophobicContact CD1-CG2 3.79Å; I55-T72 HydrophobicContact CG1-CG2 3.79Å; I55-T72 WeakPolarHBondContact CG1-O 3.26Å; I55-T72 PolarHBondContact N-O 2.87Å; A56-T72 PolarHBondContact N-O 2.97Å; A56-T72 PolarHBondContact O-N 2.84Å |
| 73 | V | 91.1 | Very high | 88.8 | Confident | 58 Ų | 58 | 97.8 Ų | 97.8 | 35% | 0.352 | 51% | 0.514 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.8 | 134.6 | -174.1 | 179.3 | 0 | 0 | 0 | 0 | 108.9 | C52 E53 V54 Q71 P90 | C52-V73 HydrophobicContact CB-CG1 4.28Å; E53-V73 CarbonylContact O-C 3.54Å; E53-V73 WeakPolarHBondContact O-CA 3.4Å; V54-V73 HydrophobicContact CG2-CG2 4.25Å; Q71-V73 HydrophobicContact CB-CG2 4.44Å; V73-P90 HydrophobicContact CB-CB 4.32Å; V73-P90 HydrophobicContact CG1-CB 3.39Å; V73-P90 HydrophobicContact CG1-CG 3.91Å; V73-P90 HydrophobicContact CG2-CB 4Å; V73-P90 HydrophobicContact CG2-CG 4.21Å |
| 74 | K | 93.6 | Very high | 89.3 | Confident | 134 Ų | 134 | 89.2 Ų | 89.2 | 58% | 0.583 | 48% | 0.483 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -105.8 | 123 | 169 | -176.7 | 175.6 | 179.5 | -179.5 | 0 | 108.8 | C52 E53 I55 | C52-K74 CarbonylContact C-O 3.58Å; C52-K74 WeakPolarHBondContact CA-O 3.47Å; E53-K74 PolarHBondContact N-O 3.04Å; E53-K74 PolarHBondContact O-N 2.65Å; I55-K74 HydrophobicContact CD1-CB 4.36Å; I55-K74 HydrophobicContact CG2-CB 3.75Å |
| 75 | C | 93.7 | Very high | 89.6 | Confident | 37 Ų | 37 | 84.2 Ų | 84.2 | 25% | 0.25 | 46% | 0.457 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119 | 147.3 | 176 | -68.8 | 0 | 0 | 0 | 0 | 111.3 | T51 C52 A83 | T51-C75 CarbonylContact O-C 3.57Å; T51-C75 VanDerWaalsContact O-CA 3.26Å; T51-C75 WeakPolarHBondContact O-CA 3.45Å; C52-C75 HydrophobicContact CB-CB 4.19Å; C52-C75 WeakPolarHBondContact CB-SG 3.46Å; C52-C75 WeakPolarHBondContact SG-CB 3.39Å; C52-C75 CovalentContact SG-SG 2.05Å; C52-C75 PolarHBondContact SG-SG 2.89Å; C75-A83 HydrophobicContact CB-CB 3.99Å |
| 76 | S | 94.6 | Very high | 90.3 | Very high | 71 Ų | 71 | 74.3 Ų | 74.3 | 50% | 0.497 | 42% | 0.423 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.9 | 93.2 | 169.1 | -60.7 | 0 | 0 | 0 | 0 | 107.1 | G50 T51 | G50-S76 CarbonylContact C-O 3.57Å; G50-S76 WeakPolarHBondContact CA-O 3.45Å; T51-S76 PolarHBondContact N-O 2.79Å; T51-S76 PolarHBondContact O-N 2.79Å |
| 77 | C | 94.4 | Very high | 90.9 | Very high | 42 Ų | 42 | 76.1 Ų | 76.1 | 28% | 0.284 | 42% | 0.424 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -96 | 147.4 | -176.7 | -58.3 | 0 | 0 | 0 | 0 | 111.6 | G49 K81 V82 C92 | G49-C77 CarbonylContact O-C 3.55Å; G49-C77 WeakPolarHBondContact O-CA 3.42Å; C77-K81 HydrophobicContact CB-CB 4.02Å; C77-V82 VanDerWaalsContact SG-C 3.57Å; C77-C92 WeakPolarHBondContact CA-SG 3.23Å; C77-C92 HydrophobicContact CB-CB 3.81Å; C77-C92 WeakPolarHBondContact CB-SG 3.34Å; C77-C92 WeakPolarHBondContact SG-CB 3.29Å; C77-C92 CovalentContact SG-SG 2.05Å; C77-C92 PolarHBondContact SG-SG 3.39Å |
| 78 | L | 93.4 | Very high | 91.2 | Very high | 104 Ų | 104 | 74.6 Ų | 74.6 | 55% | 0.545 | 42% | 0.419 | S | S | . | . | P | Polyproline II helix | trans | -70.4 | 160.9 | 173.8 | -66 | 177.1 | 0 | 0 | 0 | 111 | G49 G80 K81 | G49-L78 PolarHBondContact O-N 2.95Å; L78-G80 PolarHBondContact O-N 3.5Å; L78-K81 WeakPolarHBondContact O-CB 3.27Å; L78-K81 PolarHBondContact O-N 2.88Å |
| 79 | P | 93.9 | Very high | 91.5 | Very high | 131 Ų | 131 | 77.1 Ų | 77.1 | 85% | 0.851 | 42% | 0.423 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -52.5 | 135.2 | 176.4 | -27.2 | 35.7 | 0 | 0 | 0 | 112.7 | K81 | P79-K81 VanDerWaalsContact C-N 3.28Š|
| 80 | G | 90.9 | Very high | 92 | Very high | 53 Ų | 53 | 71.6 Ų | 71.6 | 55% | 0.546 | 41% | 0.407 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 84.2 | -5.5 | -175.8 | 0 | 0 | 0 | 0 | 0 | 114.8 | L78 A95 | L78-G80 PolarHBondContact O-N 3.5Å; G80-A95 WeakPolarHBondContact O-CB 3.45Å; G80-A95 PolarHBondContact O-N 3.08Å; G80-A95 VanDerWaalsContact O-N 3.08Å |
| 81 | K | 93.4 | Very high | 92.3 | Very high | 67 Ų | 67 | 69.2 Ų | 69.2 | 29% | 0.291 | 39% | 0.39 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -113 | 152.7 | 175.4 | -57.8 | -63.1 | -175.2 | -168.1 | 0 | 111.4 | C77 L78 P79 C92 V93 D94 | C77-K81 HydrophobicContact CB-CB 4.02Å; L78-K81 WeakPolarHBondContact O-CB 3.27Å; L78-K81 PolarHBondContact O-N 2.88Å; P79-K81 VanDerWaalsContact C-N 3.28Å; K81-C92 HydrophobicContact CB-CB 4.24Å; K81-V93 CarbonylContact C-O 3.47Å; K81-V93 WeakPolarHBondContact CA-O 3.33Å; K81-V93 WeakPolarHBondContact CB-O 3.38Å; K81-V93 WeakPolarHBondContact CD-O 3.37Å; K81-D94 IonicContact NZ-OD2 2.89Å; K81-D94 PolarHBondContact NZ-OD2 2.83Å |
| 82 | V | 93.4 | Very high | 92.6 | Very high | 53 Ų | 53 | 66.1 Ų | 66.1 | 32% | 0.321 | 38% | 0.377 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.5 | 163.7 | 177.1 | -62.8 | 0 | 0 | 0 | 0 | 110.7 | C77 G84 C92 V93 A95 V98 | C77-V82 VanDerWaalsContact SG-C 3.57Å; V82-G84 PolarHBondContact O-N 3.11Å; V82-C92 CarbonylContact O-C 3.57Å; V82-C92 WeakPolarHBondContact O-CA 3.41Å; V82-V93 HydrophobicContact CG2-CG2 4.35Å; V82-V93 PolarHBondContact N-O 2.81Å; V82-V93 PolarHBondContact O-N 2.84Å; V82-A95 HydrophobicContact CG1-CB 4.03Å; V82-A95 HydrophobicContact CG2-CB 4.48Å; V82-V98 HydrophobicContact CG2-CB 4.04Å; V82-V98 HydrophobicContact CG2-CG2 3.59Å |
| 83 | A | 93.2 | Very high | 92.8 | Very high | 63 Ų | 63 | 63 Ų | 63 | 52% | 0.521 | 36% | 0.357 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -61.6 | 133.1 | 175.5 | 0 | 0 | 0 | 0 | 0 | 110.5 | C75 | C75-A83 HydrophobicContact CB-CB 3.99Å |
| 84 | G | 92.9 | Very high | 92.9 | Very high | 23 Ų | 23 | 62.8 Ų | 62.8 | 24% | 0.237 | 35% | 0.354 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -152.6 | -157.3 | 177.2 | 0 | 0 | 0 | 0 | 0 | 110.2 | V82 S91 | V82-G84 PolarHBondContact O-N 3.11Å; G84-S91 CarbonylContact C-O 3.53Å; G84-S91 PolarHBondContact N-O 2.03Å; G84-S91 PolarHBondContact O-N 2.06Å |
| 85 | T | 91.6 | Very high | 92.9 | Very high | 20 Ų | 20 | 57.5 Ų | 57.5 | 12% | 0.123 | 34% | 0.336 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -141 | 144.2 | 177.4 | -177.4 | 0 | 0 | 0 | 0 | 110.5 | R89 S91 M106 P108 W124 | T85-R89 CarbonylContact C-O 3.58Å; T85-R89 VanDerWaalsContact CA-O 3.27Å; T85-R89 WeakPolarHBondContact CA-O 3.11Å; T85-R89 PolarHBondContact OG1-O 2.86Å; T85-R89 VanDerWaalsContact OG1-O 3.08Å; T85-S91 VanDerWaalsContact C-OG 3.29Å; T85-S91 WeakPolarHBondContact CA-OG 3.38Å; T85-M106 HydrophobicContact CG2-CE 3.52Å; T85-M106 HydrophobicContact CG2-SD 3.76Å; T85-M106 WeakPolarHBondContact O-CG 3.24Å; T85-P108 HydrophobicContact CG2-CB 3.7Å; T85-W124 HydrophobicContact CG2-CH2 3.53Å; T85-W124 HydrophobicContact CG2-CZ2 3.32Å |
| 86 | T | 92.8 | Very high | 92.9 | Very high | 30 Ų | 30 | 58.1 Ų | 58.1 | 18% | 0.184 | 34% | 0.34 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -140.3 | 126.7 | 176.2 | -56.4 | 0 | 0 | 0 | 0 | 107.2 | N88 R89 S91 M106 | T86-N88 VanDerWaalsContact C-N 3.34Å; T86-N88 PolarHBondContact O-N 2.82Å; T86-R89 PolarHBondContact N-O 3.31Å; T86-R89 PolarHBondContact O-N 2.83Å; T86-R89 VanDerWaalsContact O-N 3.11Å; T86-S91 WeakPolarHBondContact CB-OG 3.05Å; T86-S91 PolarHBondContact N-OG 2.97Å; T86-S91 PolarHBondContact OG1-OG 2.83Å; T86-M106 PolarHBondContact OG1-O 3.39Å |
| 87 | R | 93.1 | Very high | 92.8 | Very high | 138 Ų | 138 | 55.7 Ų | 55.7 | 52% | 0.521 | 32% | 0.321 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 49.9 | 51.8 | -179.3 | -59.4 | 178.1 | -174.6 | -169.5 | 0.2 | 112.9 | R89 E107 C109 L110 | R87-R89 PolarHBondContact O-N 3.34Å; R87-E107 PolarHBondContact N-O 2.91Å; R87-C109 WeakPolarHBondContact CA-O 3.06Å; R87-L110 HydrophobicContact CB-CD2 4.44Å; R87-L110 WeakPolarHBondContact O-CD2 3.41Å |
| 88 | N | 90.1 | Very high | 92.7 | Very high | 71 Ų | 71 | 55.9 Ų | 55.9 | 38% | 0.38 | 32% | 0.321 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 56.9 | 29.6 | 178.6 | -166 | 38.8 | 0 | 0 | 0 | 113.9 | T86 P108 L110 | T86-N88 VanDerWaalsContact C-N 3.34Å; T86-N88 PolarHBondContact O-N 2.82Å; N88-P108 PolarHBondContact N-O 2.77Å; N88-L110 HydrophobicContact CB-CD2 4.01Å; N88-L110 HydrophobicContact CB-CG 4.05Å |
| 89 | R | 90.1 | Very high | 92.6 | Very high | 168 Ų | 168 | 57.7 Ų | 57.7 | 63% | 0.634 | 33% | 0.33 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -134.9 | 145 | 176.2 | -69.5 | -174.1 | 175.6 | 118.3 | -1.5 | 110.3 | T85 T86 R87 S91 | T85-R89 CarbonylContact C-O 3.58Å; T85-R89 VanDerWaalsContact CA-O 3.27Å; T85-R89 WeakPolarHBondContact CA-O 3.11Å; T85-R89 PolarHBondContact OG1-O 2.86Å; T85-R89 VanDerWaalsContact OG1-O 3.08Å; T86-R89 PolarHBondContact N-O 3.31Å; T86-R89 PolarHBondContact O-N 2.83Å; T86-R89 VanDerWaalsContact O-N 3.11Å; R87-R89 PolarHBondContact O-N 3.34Å; R89-S91 PolarHBondContact O-N 3.14Å |
| 90 | P | 92.6 | Very high | 92.6 | Very high | 34 Ų | 34 | 52.9 Ų | 52.9 | 22% | 0.221 | 31% | 0.305 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -64.5 | 138 | 175.9 | 28.8 | -34.9 | 0 | 0 | 0 | 111.1 | C52 V54 V73 | C52-P90 HydrophobicContact CB-CB 3.93Å; C52-P90 HydrophobicContact CB-CG 4.32Å; V54-P90 HydrophobicContact CG2-CG 3.84Å; V73-P90 HydrophobicContact CB-CB 4.32Å; V73-P90 HydrophobicContact CG1-CB 3.39Å; V73-P90 HydrophobicContact CG1-CG 3.91Å; V73-P90 HydrophobicContact CG2-CB 4Å; V73-P90 HydrophobicContact CG2-CG 4.21Å |
| 91 | S | 92.8 | Very high | 92.8 | Very high | 5 Ų | 5 | 55.2 Ų | 55.2 | 4% | 0.035 | 30% | 0.3 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -148.6 | 166 | -177.2 | 59.9 | 0 | 0 | 0 | 0 | 110.7 | G84 T85 T86 R89 | G84-S91 CarbonylContact C-O 3.53Å; G84-S91 PolarHBondContact N-O 2.03Å; G84-S91 PolarHBondContact O-N 2.06Å; T85-S91 VanDerWaalsContact C-OG 3.29Å; T85-S91 WeakPolarHBondContact CA-OG 3.38Å; T86-S91 WeakPolarHBondContact CB-OG 3.05Å; T86-S91 PolarHBondContact N-OG 2.97Å; T86-S91 PolarHBondContact OG1-OG 2.83Å; R89-S91 PolarHBondContact O-N 3.14Å |
| 92 | C | 94 | Very high | 92.8 | Very high | 10 Ų | 10 | 57.8 Ų | 57.8 | 7% | 0.068 | 31% | 0.308 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.4 | 123.3 | 165.9 | -68.5 | 0 | 0 | 0 | 0 | 108.5 | G49 C77 K81 V82 | G49-C92 WeakPolarHBondContact O-CB 3.47Å; C77-C92 WeakPolarHBondContact CA-SG 3.23Å; C77-C92 HydrophobicContact CB-CB 3.81Å; C77-C92 WeakPolarHBondContact CB-SG 3.34Å; C77-C92 WeakPolarHBondContact SG-CB 3.29Å; C77-C92 CovalentContact SG-SG 2.05Å; C77-C92 PolarHBondContact SG-SG 3.39Å; K81-C92 HydrophobicContact CB-CB 4.24Å; V82-C92 CarbonylContact O-C 3.57Å; V82-C92 WeakPolarHBondContact O-CA 3.41Å |
| 93 | V | 93.6 | Very high | 92.9 | Very high | 10 Ų | 10 | 56 Ų | 56 | 6% | 0.061 | 30% | 0.295 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.7 | 168.7 | -178 | -58.3 | 0 | 0 | 0 | 0 | 110.2 | K81 V82 A95 V98 M106 | K81-V93 CarbonylContact C-O 3.47Å; K81-V93 WeakPolarHBondContact CA-O 3.33Å; K81-V93 WeakPolarHBondContact CB-O 3.38Å; K81-V93 WeakPolarHBondContact CD-O 3.37Å; V82-V93 HydrophobicContact CG2-CG2 4.35Å; V82-V93 PolarHBondContact N-O 2.81Å; V82-V93 PolarHBondContact O-N 2.84Å; V93-A95 PolarHBondContact O-N 3.35Å; V93-V98 HydrophobicContact CG2-CG2 4.01Å; V93-M106 HydrophobicContact CB-CB 4.45Å; V93-M106 HydrophobicContact CG1-CB 3.92Å |
| 94 | D | 93.5 | Very high | 93.1 | Very high | 55 Ų | 55 | 54.9 Ų | 54.9 | 29% | 0.294 | 28% | 0.283 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -62.8 | 134.6 | 176.8 | -154.4 | -83 | 0 | 0 | 0 | 112.2 | K81 S96 I97 | K81-D94 IonicContact NZ-OD2 2.89Å; K81-D94 PolarHBondContact NZ-OD2 2.83Å; D94-S96 PolarHBondContact O-N 3.27Å; D94-S96 VanDerWaalsContact OD1-CB 3.29Å; D94-S96 WeakPolarHBondContact OD1-CB 3.06Å; D94-S96 PolarHBondContact OD1-N 2.83Å; D94-S96 PolarHBondContact OD1-OG 3.03Å; D94-I97 HydrophobicContact CB-CD1 3.99Å; D94-I97 HydrophobicContact CB-CG1 4.14Å; D94-I97 WeakPolarHBondContact O-CB 3.36Å; D94-I97 PolarHBondContact O-N 2.81Å; D94-I97 VanDerWaalsContact O-N 3.15Å |
| 95 | A | 92.8 | Very high | 93.2 | Very high | 23 Ų | 23 | 59.5 Ų | 59.5 | 19% | 0.19 | 30% | 0.299 | C | S | . | . | H | α-helix | trans | -58.5 | -33.2 | 177.7 | 0 | 0 | 0 | 0 | 0 | 112.1 | G80 V82 V93 I97 V98 I99 | G80-A95 WeakPolarHBondContact O-CB 3.45Å; G80-A95 PolarHBondContact O-N 3.08Å; G80-A95 VanDerWaalsContact O-N 3.08Å; V82-A95 HydrophobicContact CG1-CB 4.03Å; V82-A95 HydrophobicContact CG2-CB 4.48Å; V93-A95 PolarHBondContact O-N 3.35Å; A95-I97 VanDerWaalsContact C-N 3.27Å; A95-I97 PolarHBondContact O-N 3.22Å; A95-V98 PolarHBondContact O-N 2.9Å; A95-I99 HydrophobicContact CB-CD1 4.26Å; A95-I99 WeakPolarHBondContact O-CB 3.44Å; A95-I99 WeakPolarHBondContact O-CD1 3.5Å; A95-I99 VanDerWaalsContact O-CG1 3.22Å; A95-I99 WeakPolarHBondContact O-CG1 3.35Å; A95-I99 PolarHBondContact O-N 2.82Å |
| 96 | S | 93.2 | Very high | 93.2 | Very high | 49 Ų | 49 | 59 Ų | 59 | 34% | 0.343 | 30% | 0.295 | S | S | . | . | H | α-helix | trans | -59.6 | -36 | 178.3 | 59.4 | 0 | 0 | 0 | 0 | 112.9 | D94 I99 G100 | D94-S96 PolarHBondContact O-N 3.27Å; D94-S96 VanDerWaalsContact OD1-CB 3.29Å; D94-S96 WeakPolarHBondContact OD1-CB 3.06Å; D94-S96 PolarHBondContact OD1-N 2.83Å; D94-S96 PolarHBondContact OD1-OG 3.03Å; S96-I99 PolarHBondContact O-N 2.82Å; S96-G100 WeakPolarHBondContact O-CA 3.38Å; S96-G100 PolarHBondContact O-N 3.17Å |
| 97 | I | 92.9 | Very high | 93.4 | Very high | 20 Ų | 20 | 63 Ų | 63 | 10% | 0.103 | 31% | 0.312 | C | S | . | . | H | α-helix | trans | -63 | -45.7 | 178.4 | -64.6 | 170.3 | 0 | 0 | 0 | 110.6 | D94 A95 K101 W102 E105 M106 | D94-I97 HydrophobicContact CB-CD1 3.99Å; D94-I97 HydrophobicContact CB-CG1 4.14Å; D94-I97 WeakPolarHBondContact O-CB 3.36Å; D94-I97 PolarHBondContact O-N 2.81Å; D94-I97 VanDerWaalsContact O-N 3.15Å; A95-I97 VanDerWaalsContact C-N 3.27Å; A95-I97 PolarHBondContact O-N 3.22Å; I97-K101 CarbonylContact O-C 3.59Å; I97-K101 WeakPolarHBondContact O-CA 3.05Å; I97-K101 PolarHBondContact O-N 3.2Å; I97-W102 HydrophobicContact CG1-CE3 4.44Å; I97-W102 HydrophobicContact CG2-CB 4.26Å; I97-W102 WeakPolarHBondContact CG2-O 3.43Å; I97-W102 PolarHBondContact O-N 3.03Å; I97-E105 HydrophobicContact CD1-CB 4.4Å; I97-E105 HydrophobicContact CG1-CB 4.37Å; I97-E105 HydrophobicContact CG2-CB 4.44Å; I97-M106 HydrophobicContact CG2-CB 4.25Å |
| 98 | V | 91.9 | Very high | 93.5 | Very high | 47 Ų | 47 | 56.5 Ų | 56.5 | 29% | 0.285 | 29% | 0.287 | S | S | . | . | H | α-helix | trans | -73.2 | -40.4 | -179 | 179.4 | 0 | 0 | 0 | 0 | 111.1 | V82 V93 A95 K101 W103 | V82-V98 HydrophobicContact CG2-CB 4.04Å; V82-V98 HydrophobicContact CG2-CG2 3.59Å; V93-V98 HydrophobicContact CG2-CG2 4.01Å; A95-V98 PolarHBondContact O-N 2.9Å; V98-K101 PolarHBondContact O-N 3.45Å; V98-W103 HydrophobicContact CB-CZ3 4.41Å; V98-W103 HydrophobicContact CG1-CH2 4.23Å; V98-W103 HydrophobicContact CG1-CZ3 4.11Å; V98-W103 HydrophobicContact CG2-CZ3 4.38Å |
| 99 | I | 92.5 | Very high | 93.8 | Very high | 141 Ų | 141 | 53.7 Ų | 53.7 | 72% | 0.723 | 27% | 0.273 | S | S | * | . | H | α-helix | trans | -64.2 | -44.8 | 176.8 | -67.4 | 165.9 | 0 | 0 | 0 | 110.7 | A95 S96 K101 | A95-I99 HydrophobicContact CB-CD1 4.26Å; A95-I99 WeakPolarHBondContact O-CB 3.44Å; A95-I99 WeakPolarHBondContact O-CD1 3.5Å; A95-I99 VanDerWaalsContact O-CG1 3.22Å; A95-I99 WeakPolarHBondContact O-CG1 3.35Å; A95-I99 PolarHBondContact O-N 2.82Å; S96-I99 PolarHBondContact O-N 2.82Å; I99-K101 VanDerWaalsContact C-N 3.25Å; I99-K101 PolarHBondContact O-N 2.97Å |
| 100 | G | 93.4 | Very high | 94 | Very high | 31 Ų | 31 | 49.1 Ų | 49.1 | 32% | 0.32 | 26% | 0.261 | S | S | . | . | H | α-helix | trans | -75.8 | -10.9 | 177.4 | 0 | 0 | 0 | 0 | 0 | 114 | S96 W102 | S96-G100 WeakPolarHBondContact O-CA 3.38Å; S96-G100 PolarHBondContact O-N 3.17Å; G100-W102 VanDerWaalsContact C-CD1 3.43Å; G100-W102 PolarHBondContact O-N 2.85Å; G100-W102 PolarHBondContact O-NE1 2.86Å; G100-W102 VanDerWaalsContact O-NE1 3.16Å |
| 101 | K | 94.3 | Very high | 94.1 | Very high | 101 Ų | 101 | 56.5 Ų | 56.5 | 44% | 0.439 | 29% | 0.292 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 58.8 | 34.3 | -174.8 | -53.3 | -175.9 | 177.7 | -174.2 | 0 | 112.8 | I97 V98 I99 W103 N121 | I97-K101 CarbonylContact O-C 3.59Å; I97-K101 WeakPolarHBondContact O-CA 3.05Å; I97-K101 PolarHBondContact O-N 3.2Å; V98-K101 PolarHBondContact O-N 3.45Å; I99-K101 VanDerWaalsContact C-N 3.25Å; I99-K101 PolarHBondContact O-N 2.97Å; K101-W103 HydrophobicContact CB-CZ2 3.72Å; K101-W103 HydrophobicContact CD-CZ2 4.31Å; K101-W103 HydrophobicContact CG-CH2 4.38Å; K101-W103 HydrophobicContact CG-CZ2 3.75Å; K101-W103 VanDerWaalsContact O-CD1 3.29Å; K101-W103 PolarHBondContact O-N 2.91Å; K101-W103 PolarHBondContact O-NE1 2.76Å; K101-N121 HydrophobicContact CB-CB 4.16Å; K101-N121 HydrophobicContact CD-CB 3.62Å |
| 102 | W | 94.8 | Very high | 94.1 | Very high | 121 Ų | 121 | 60.1 Ų | 60.1 | 46% | 0.458 | 33% | 0.331 | S | S | . | . | trans | -83.4 | 55.6 | -179.4 | -50 | -26.9 | 0 | 0 | 0 | 110.7 | I97 G100 C104 E105 | I97-W102 HydrophobicContact CG1-CE3 4.44Å; I97-W102 HydrophobicContact CG2-CB 4.26Å; I97-W102 WeakPolarHBondContact CG2-O 3.43Å; I97-W102 PolarHBondContact O-N 3.03Å; G100-W102 VanDerWaalsContact C-CD1 3.43Å; G100-W102 PolarHBondContact O-N 2.85Å; G100-W102 PolarHBondContact O-NE1 2.86Å; G100-W102 VanDerWaalsContact O-NE1 3.16Å; W102-C104 PolarHBondContact O-N 2.05Å; W102-E105 HydrophobicContact CB-CB 4.16Å; W102-E105 HydrophobicContact CB-CG 3.86Å; W102-E105 WeakPolarHBondContact O-CB 3.49Å; W102-E105 PolarHBondContact O-N 2.8Å | ||
| 103 | W | 95.4 | Very high | 94.3 | Very high | 15 Ų | 15 | 61.3 Ų | 61.3 | 6% | 0.057 | 34% | 0.335 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -56.7 | -26.2 | -165.4 | -51.1 | 119 | 0 | 0 | 0 | 115.3 | V98 K101 M106 P108 N121 W124 V137 | V98-W103 HydrophobicContact CB-CZ3 4.41Å; V98-W103 HydrophobicContact CG1-CH2 4.23Å; V98-W103 HydrophobicContact CG1-CZ3 4.11Å; V98-W103 HydrophobicContact CG2-CZ3 4.38Å; K101-W103 HydrophobicContact CB-CZ2 3.72Å; K101-W103 HydrophobicContact CD-CZ2 4.31Å; K101-W103 HydrophobicContact CG-CH2 4.38Å; K101-W103 HydrophobicContact CG-CZ2 3.75Å; K101-W103 VanDerWaalsContact O-CD1 3.29Å; K101-W103 PolarHBondContact O-N 2.91Å; K101-W103 PolarHBondContact O-NE1 2.76Å; W103-M106 HydrophobicContact CB-CE 4.26Å; W103-M106 HydrophobicContact CE3-CE 4.26Å; W103-M106 WeakPolarHBondContact O-CE 3.3Å; W103-M106 WeakPolarHBondContact O-CG 3.38Å; W103-P108 WeakPolarHBondContact O-CD 3.47Å; W103-P108 WeakPolarHBondContact O-CG 3.38Å; W103-N121 WeakPolarHBondContact CZ2-O 3.41Å; W103-N121 PolarHBondContact NE1-O 2.86Å; W103-W124 HydrophobicContact CB-CB 3.93Å; W103-W124 HydrophobicContact CB-CD2 4.46Å; W103-W124 HydrophobicContact CB-CE3 3.98Å; W103-W124 HydrophobicContact CB-CG 4.49Å; W103-W124 HydrophobicContact CD2-CE3 4.43Å; W103-W124 HydrophobicContact CG-CE3 4.22Å; W103-V137 HydrophobicContact CH2-CG2 4.34Å; W103-V137 HydrophobicContact CZ3-CG2 4.36Å |
| 104 | C | 96.2 | Very high | 94.4 | Very high | 40 Ų | 40 | 67.2 Ų | 67.2 | 27% | 0.27 | 36% | 0.362 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -83.6 | -15.5 | 177 | -68.9 | 0 | 0 | 0 | 0 | 114 | W102 M106 E107 C115 K116 | W102-C104 PolarHBondContact O-N 2.05Å; C104-M106 VanDerWaalsContact C-N 3.29Å; C104-M106 PolarHBondContact O-N 2.79Å; C104-E107 PolarHBondContact O-N 3.41Å; C104-E107 VanDerWaalsContact O-N 3.14Å; C104-C115 WeakPolarHBondContact CA-SG 3.39Å; C104-C115 HydrophobicContact CB-CB 3.84Å; C104-C115 WeakPolarHBondContact CB-SG 3.37Å; C104-C115 WeakPolarHBondContact SG-CB 3.07Å; C104-C115 CovalentContact SG-SG 2.06Å; C104-C115 PolarHBondContact SG-SG 3.24Å; C104-K116 VanDerWaalsContact SG-C 3.58Å; C104-K116 PolarHBondContact SG-N 2.05Å; C104-K116 VanDerWaalsContact SG-N 3.39Å |
| 105 | E | 94.8 | Very high | 94.6 | Very high | 121 Ų | 121 | 66.4 Ų | 66.4 | 57% | 0.565 | 36% | 0.36 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -71.4 | -22.6 | 176 | -66.9 | -173.1 | -163.9 | 0 | 0 | 112.9 | I97 W102 E107 | I97-E105 HydrophobicContact CD1-CB 4.4Å; I97-E105 HydrophobicContact CG1-CB 4.37Å; I97-E105 HydrophobicContact CG2-CB 4.44Å; W102-E105 HydrophobicContact CB-CB 4.16Å; W102-E105 HydrophobicContact CB-CG 3.86Å; W102-E105 WeakPolarHBondContact O-CB 3.49Å; W102-E105 PolarHBondContact O-N 2.8Å; E105-E107 PolarHBondContact O-N 3.46Å |
| 106 | M | 93.2 | Very high | 94.8 | Very high | 9 Ų | 9 | 71 Ų | 71 | 4% | 0.044 | 38% | 0.376 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -75.9 | -0.5 | 170.9 | 59.9 | 175.7 | 178.4 | 0 | 0 | 114.1 | T85 T86 V93 I97 W103 C104 P108 W124 | T85-M106 HydrophobicContact CG2-CE 3.52Å; T85-M106 HydrophobicContact CG2-SD 3.76Å; T85-M106 WeakPolarHBondContact O-CG 3.24Å; T86-M106 PolarHBondContact OG1-O 3.39Å; V93-M106 HydrophobicContact CB-CB 4.45Å; V93-M106 HydrophobicContact CG1-CB 3.92Å; I97-M106 HydrophobicContact CG2-CB 4.25Å; W103-M106 HydrophobicContact CB-CE 4.26Å; W103-M106 HydrophobicContact CE3-CE 4.26Å; W103-M106 WeakPolarHBondContact O-CE 3.3Å; W103-M106 WeakPolarHBondContact O-CG 3.38Å; C104-M106 VanDerWaalsContact C-N 3.29Å; C104-M106 PolarHBondContact O-N 2.79Å; M106-P108 HydrophobicContact CE-CB 3.8Å; M106-P108 HydrophobicContact CE-CG 4.16Å; M106-P108 HydrophobicContact CG-CB 4.2Å; M106-P108 HydrophobicContact CG-CG 4.37Å; M106-W124 HydrophobicContact CE-CD2 3.77Å; M106-W124 HydrophobicContact CE-CE3 3.4Å; M106-W124 VanDerWaalsContact CE-CE3 3.4Å; M106-W124 HydrophobicContact CE-CH2 3.59Å; M106-W124 HydrophobicContact CE-CZ2 3.95Å; M106-W124 HydrophobicContact CE-CZ3 3.31Å |
| 107 | E | 95.5 | Very high | 95 | Very high | 114 Ų | 114 | 70.7 Ų | 70.7 | 53% | 0.533 | 37% | 0.372 | S | S | . | . | trans | 50.3 | 60.4 | -175.3 | -58.1 | -171.7 | 150.8 | 0 | 0 | 112.7 | R87 C104 E105 C109 | R87-E107 PolarHBondContact N-O 2.91Å; C104-E107 PolarHBondContact O-N 3.41Å; C104-E107 VanDerWaalsContact O-N 3.14Å; E105-E107 PolarHBondContact O-N 3.46Å; E107-C109 VanDerWaalsContact C-N 3.32Å; E107-C109 PolarHBondContact O-N 2.87Å | ||
| 108 | P | 95.3 | Very high | 95.2 | Very high | 2 Ų | 2 | 70.3 Ų | 70.3 | 1% | 0.013 | 37% | 0.37 | C | S | . | . | trans | -77.1 | -19.4 | -169.4 | 33.7 | -38.2 | 0 | 0 | 0 | 113.7 | T85 N88 W103 M106 W124 | T85-P108 HydrophobicContact CG2-CB 3.7Å; N88-P108 PolarHBondContact N-O 2.77Å; W103-P108 WeakPolarHBondContact O-CD 3.47Å; W103-P108 WeakPolarHBondContact O-CG 3.38Å; M106-P108 HydrophobicContact CE-CB 3.8Å; M106-P108 HydrophobicContact CE-CG 4.16Å; M106-P108 HydrophobicContact CG-CB 4.2Å; M106-P108 HydrophobicContact CG-CG 4.37Å; P108-W124 HydrophobicContact CB-CD2 4.29Å; P108-W124 HydrophobicContact CB-CG 4.4Å; P108-W124 HydrophobicContact CB-CZ2 4.25Å; P108-W124 HydrophobicContact CG-CD2 4.23Å; P108-W124 HydrophobicContact CG-CG 3.91Å | ||
| 109 | C | 96.3 | Very high | 95.4 | Very high | 12 Ų | 12 | 74 Ų | 74 | 8% | 0.081 | 40% | 0.395 | C | S | . | . | S | Bend | trans | -86.8 | 160.7 | -176.6 | -54.7 | 0 | 0 | 0 | 0 | 112.1 | R87 E107 E113 C115 C126 | R87-C109 WeakPolarHBondContact CA-O 3.06Å; E107-C109 VanDerWaalsContact C-N 3.32Å; E107-C109 PolarHBondContact O-N 2.87Å; C109-E113 HydrophobicContact CB-CB 3.8Å; C109-C115 HydrophobicContact CB-CB 4.49Å; C109-C115 VanDerWaalsContact SG-CB 3.55Å; C109-C126 WeakPolarHBondContact CA-SG 3.2Å; C109-C126 HydrophobicContact CB-CB 3.72Å; C109-C126 WeakPolarHBondContact CB-SG 3.26Å; C109-C126 WeakPolarHBondContact SG-CA 3.43Å; C109-C126 WeakPolarHBondContact SG-CB 3.29Å; C109-C126 CovalentContact SG-SG 2.03Å; C109-C126 PolarHBondContact SG-SG 2.89Å |
| 110 | L | 95.6 | Very high | 95.5 | Very high | 71 Ų | 71 | 72.1 Ų | 72.1 | 37% | 0.372 | 39% | 0.386 | S | S | . | . | P | Polyproline II helix | trans | -74.2 | 164.1 | 174.2 | -67.2 | 172.7 | 0 | 0 | 0 | 111 | R87 N88 G112 E113 | R87-L110 HydrophobicContact CB-CD2 4.44Å; R87-L110 WeakPolarHBondContact O-CD2 3.41Å; N88-L110 HydrophobicContact CB-CD2 4.01Å; N88-L110 HydrophobicContact CB-CG 4.05Å; L110-G112 PolarHBondContact O-N 3.24Å; L110-E113 HydrophobicContact CB-CG 4.15Å; L110-E113 PolarHBondContact N-OE2 3.33Å; L110-E113 WeakPolarHBondContact O-CB 3.35Å; L110-E113 PolarHBondContact O-N 3.15Å |
| 111 | E | 94 | Very high | 95.6 | Very high | 189 Ų | 189 | 74.2 Ų | 74.2 | 88% | 0.883 | 39% | 0.391 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -59.3 | 132.1 | 174.5 | -168 | 172.4 | -175 | 0 | 0 | 110.7 | E113 | E111-E113 VanDerWaalsContact C-N 3.3Š|
| 112 | G | 93.1 | Very high | 95.7 | Very high | 82 Ų | 82 | 70.8 Ų | 70.8 | 85% | 0.845 | 38% | 0.379 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 82.1 | 0.5 | -174.6 | 0 | 0 | 0 | 0 | 0 | 115 | L110 | L110-G112 PolarHBondContact O-N 3.24Š|
| 113 | E | 96.9 | Very high | 95.8 | Very high | 34 Ų | 34 | 65 Ų | 65 | 16% | 0.159 | 36% | 0.357 | C | S | . | . | P | Polyproline II helix | trans | -95.5 | 142.1 | 168.3 | -59.3 | -174.4 | 151 | 0 | 0 | 110.8 | C109 L110 E111 C126 Y127 A128 K133 | C109-E113 HydrophobicContact CB-CB 3.8Å; L110-E113 HydrophobicContact CB-CG 4.15Å; L110-E113 PolarHBondContact N-OE2 3.33Å; L110-E113 WeakPolarHBondContact O-CB 3.35Å; L110-E113 PolarHBondContact O-N 3.15Å; E111-E113 VanDerWaalsContact C-N 3.3Å; E113-C126 HydrophobicContact CB-CB 4.36Å; E113-Y127 CarbonylContact C-O 3.47Å; E113-Y127 WeakPolarHBondContact CA-O 3.06Å; E113-A128 HydrophobicContact CG-CB 4.01Å; E113-K133 IonicContact OE1-NZ 3.63Å; E113-K133 PolarHBondContact OE1-NZ 3.48Å; E113-K133 IonicContact OE2-NZ 2.68Å |
| 114 | E | 96.9 | Very high | 95.8 | Very high | 135 Ų | 135 | 65.4 Ų | 65.4 | 63% | 0.631 | 36% | 0.359 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -90.5 | 129.3 | 174 | -170.7 | -173.2 | 164.8 | 0 | 0 | 110.4 | C126 Y127 | E114-C126 WeakPolarHBondContact O-CA 3.41Å; E114-Y127 PolarHBondContact N-O 2.9Å; E114-Y127 PolarHBondContact O-N 3.42Å |
| 115 | C | 97.6 | Very high | 95.9 | Very high | 37 Ų | 37 | 64.6 Ų | 64.6 | 25% | 0.25 | 35% | 0.351 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.6 | 136 | 177.4 | -173.3 | 0 | 0 | 0 | 0 | 111.6 | C104 C109 M125 | C104-C115 WeakPolarHBondContact CA-SG 3.39Å; C104-C115 HydrophobicContact CB-CB 3.84Å; C104-C115 WeakPolarHBondContact CB-SG 3.37Å; C104-C115 WeakPolarHBondContact SG-CB 3.07Å; C104-C115 CovalentContact SG-SG 2.06Å; C104-C115 PolarHBondContact SG-SG 3.24Å; C109-C115 HydrophobicContact CB-CB 4.49Å; C109-C115 VanDerWaalsContact SG-CB 3.55Å; C115-M125 WeakPolarHBondContact CA-O 3.48Å |
| 116 | K | 97.3 | Very high | 96 | Very high | 120 Ų | 120 | 59.1 Ų | 59.1 | 52% | 0.522 | 33% | 0.327 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.7 | 139.2 | 168.6 | -173.2 | 174.6 | -178.8 | 173.7 | 0 | 111.4 | C104 W124 M125 Y127 | C104-K116 VanDerWaalsContact SG-C 3.58Å; C104-K116 PolarHBondContact SG-N 2.05Å; C104-K116 VanDerWaalsContact SG-N 3.39Å; K116-W124 CarbonylContact O-C 3.56Å; K116-W124 VanDerWaalsContact O-CA 3.29Å; K116-W124 WeakPolarHBondContact O-CA 3.42Å; K116-M125 HydrophobicContact CB-CG 3.73Å; K116-M125 HydrophobicContact CB-SD 4.06Å; K116-M125 HydrophobicContact CD-SD 4.17Å; K116-M125 HydrophobicContact CG-SD 4.33Å; K116-M125 PolarHBondContact N-O 3.16Å; K116-M125 VanDerWaalsContact O-CG 3.23Å; K116-M125 WeakPolarHBondContact O-CG 3.32Å; K116-M125 PolarHBondContact O-N 3.15Å; K116-Y127 HydrophobicContact CB-CE2 4.1Å; K116-Y127 HydrophobicContact CD-CE2 4.45Å |
| 117 | T | 96.8 | Very high | 96.2 | Very high | 42 Ų | 42 | 62.1 Ų | 62.1 | 26% | 0.258 | 34% | 0.338 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -71 | 140.6 | 171.5 | -66.2 | 0 | 0 | 0 | 0 | 110.7 | N121 | T117-N121 WeakPolarHBondContact CG2-OD1 3.42Å |
| 118 | L | 97.4 | Very high | 96.2 | Very high | 13 Ų | 13 | 58.4 Ų | 58.4 | 7% | 0.068 | 33% | 0.327 | C | S | . | . | trans | -62.6 | 145.4 | 172.4 | -72 | 171.1 | 0 | 0 | 0 | 110.7 | D120 N121 S122 G123 M125 T134 R136 | L118-D120 VanDerWaalsContact CB-OD1 3.3Å; L118-D120 WeakPolarHBondContact CB-OD1 3.18Å; L118-D120 PolarHBondContact O-N 2.97Å; L118-D120 VanDerWaalsContact O-N 3.11Å; L118-N121 WeakPolarHBondContact O-CA 3.46Å; L118-N121 PolarHBondContact O-N 2.94Å; L118-S122 WeakPolarHBondContact CD1-OG 3.33Å; L118-G123 WeakPolarHBondContact CB-O 3.24Å; L118-G123 PolarHBondContact N-O 2.94Å; L118-M125 HydrophobicContact CD2-CE 3.4Å; L118-M125 VanDerWaalsContact CD2-CE 3.4Å; L118-M125 HydrophobicContact CG-CE 4.4Å; L118-T134 HydrophobicContact CD1-CG2 4.22Å; L118-T134 HydrophobicContact CD2-CG2 4.11Å; L118-R136 HydrophobicContact CD1-CG 3.83Å | ||
| 119 | P | 95.4 | Very high | 96 | Very high | 125 Ų | 125 | 61.5 Ų | 61.5 | 81% | 0.812 | 36% | 0.359 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -59.1 | -26.9 | -176.6 | -25.4 | 34.4 | 0 | 0 | 0 | 115 | N121 | P119-N121 VanDerWaalsContact C-N 3.33Š|
| 120 | D | 96 | Very high | 95.7 | Very high | 100 Ų | 100 | 69.2 Ų | 69.2 | 54% | 0.535 | 40% | 0.399 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -91.2 | 4.6 | 178 | 61.3 | -0.7 | 0 | 0 | 0 | 113.1 | L118 S122 | L118-D120 VanDerWaalsContact CB-OD1 3.3Å; L118-D120 WeakPolarHBondContact CB-OD1 3.18Å; L118-D120 PolarHBondContact O-N 2.97Å; L118-D120 VanDerWaalsContact O-N 3.11Å; D120-S122 PolarHBondContact O-N 3.38Å; D120-S122 VanDerWaalsContact O-N 3.15Å; D120-S122 VanDerWaalsContact OD1-CB 3.24Å; D120-S122 WeakPolarHBondContact OD1-CB 3.47Å; D120-S122 PolarHBondContact OD1-N 2.9Å; D120-S122 PolarHBondContact OD1-OG 3.47Å; D120-S122 PolarHBondContact OD2-OG 2.64Å |
| 121 | N | 95.3 | Very high | 95.5 | Very high | 76 Ų | 76 | 73.4 Ų | 73.4 | 41% | 0.406 | 42% | 0.415 | S | S | . | . | S | Bend | trans | 55.8 | 22.3 | -172.6 | -54.6 | -52.8 | 0 | 0 | 0 | 113.6 | K101 W103 T117 L118 P119 G123 | K101-N121 HydrophobicContact CB-CB 4.16Å; K101-N121 HydrophobicContact CD-CB 3.62Å; W103-N121 WeakPolarHBondContact CZ2-O 3.41Å; W103-N121 PolarHBondContact NE1-O 2.86Å; T117-N121 WeakPolarHBondContact CG2-OD1 3.42Å; L118-N121 WeakPolarHBondContact O-CA 3.46Å; L118-N121 PolarHBondContact O-N 2.94Å; P119-N121 VanDerWaalsContact C-N 3.33Å; N121-G123 PolarHBondContact O-N 2.96Å |
| 122 | S | 95.7 | Very high | 95.4 | Very high | 29 Ų | 29 | 69.1 Ų | 69.1 | 20% | 0.203 | 40% | 0.397 | C | S | . | . | S | Bend | trans | -80.8 | 1.9 | 178.3 | 68.6 | 0 | 0 | 0 | 0 | 113.6 | L118 D120 R136 V137 | L118-S122 WeakPolarHBondContact CD1-OG 3.33Å; D120-S122 PolarHBondContact O-N 3.38Å; D120-S122 VanDerWaalsContact O-N 3.15Å; D120-S122 VanDerWaalsContact OD1-CB 3.24Å; D120-S122 WeakPolarHBondContact OD1-CB 3.47Å; D120-S122 PolarHBondContact OD1-N 2.9Å; D120-S122 PolarHBondContact OD1-OG 3.47Å; D120-S122 PolarHBondContact OD2-OG 2.64Å; S122-R136 CarbonylContact O-C 3.56Å; S122-R136 WeakPolarHBondContact O-CA 3.22Å; S122-V137 PolarHBondContact O-N 3.26Å |
| 123 | G | 96.2 | Very high | 95.4 | Very high | 0 Ų | 0 | 69.4 Ų | 69.4 | 0% | 0 | 38% | 0.375 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 154.9 | -150.1 | -178.9 | 0 | 0 | 0 | 0 | 0 | 112.2 | L118 N121 T135 | L118-G123 WeakPolarHBondContact CB-O 3.24Å; L118-G123 PolarHBondContact N-O 2.94Å; N121-G123 PolarHBondContact O-N 2.96Å; G123-T135 WeakPolarHBondContact CA-O 3.46Å |
| 124 | W | 97.3 | Very high | 95.3 | Very high | 22 Ų | 22 | 71.3 Ų | 71.3 | 8% | 0.083 | 39% | 0.389 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -141.7 | 170.4 | -173 | 66.4 | 94.9 | 0 | 0 | 0 | 112.4 | T85 W103 M106 P108 K116 T135 V137 | T85-W124 HydrophobicContact CG2-CH2 3.53Å; T85-W124 HydrophobicContact CG2-CZ2 3.32Å; W103-W124 HydrophobicContact CB-CB 3.93Å; W103-W124 HydrophobicContact CB-CD2 4.46Å; W103-W124 HydrophobicContact CB-CE3 3.98Å; W103-W124 HydrophobicContact CB-CG 4.49Å; W103-W124 HydrophobicContact CD2-CE3 4.43Å; W103-W124 HydrophobicContact CG-CE3 4.22Å; M106-W124 HydrophobicContact CE-CD2 3.77Å; M106-W124 HydrophobicContact CE-CE3 3.4Å; M106-W124 VanDerWaalsContact CE-CE3 3.4Å; M106-W124 HydrophobicContact CE-CH2 3.59Å; M106-W124 HydrophobicContact CE-CZ2 3.95Å; M106-W124 HydrophobicContact CE-CZ3 3.31Å; P108-W124 HydrophobicContact CB-CD2 4.29Å; P108-W124 HydrophobicContact CB-CG 4.4Å; P108-W124 HydrophobicContact CB-CZ2 4.25Å; P108-W124 HydrophobicContact CG-CD2 4.23Å; P108-W124 HydrophobicContact CG-CG 3.91Å; K116-W124 CarbonylContact O-C 3.56Å; K116-W124 VanDerWaalsContact O-CA 3.29Å; K116-W124 WeakPolarHBondContact O-CA 3.42Å; W124-T135 VanDerWaalsContact CE2-CB 3.45Å; W124-T135 HydrophobicContact CH2-CG2 3.31Å; W124-T135 HydrophobicContact CZ2-CG2 3.25Å; W124-T135 HydrophobicContact CZ3-CG2 4Å; W124-T135 PolarHBondContact N-O 3.44Å; W124-T135 PolarHBondContact O-N 2.95Å; W124-T135 VanDerWaalsContact O-O 3.13Å; W124-V137 HydrophobicContact CH2-CG2 4.49Å; W124-V137 HydrophobicContact CZ3-CG2 3.74Å |
| 125 | M | 97.1 | Very high | 95.1 | Very high | 23 Ų | 23 | 67.4 Ų | 67.4 | 11% | 0.113 | 38% | 0.375 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.9 | 143 | 173.9 | 54.4 | -176.2 | 72.1 | 0 | 0 | 110 | C115 K116 L118 Y127 I132 K133 | C115-M125 WeakPolarHBondContact CA-O 3.48Å; K116-M125 HydrophobicContact CB-CG 3.73Å; K116-M125 HydrophobicContact CB-SD 4.06Å; K116-M125 HydrophobicContact CD-SD 4.17Å; K116-M125 HydrophobicContact CG-SD 4.33Å; K116-M125 PolarHBondContact N-O 3.16Å; K116-M125 VanDerWaalsContact O-CG 3.23Å; K116-M125 WeakPolarHBondContact O-CG 3.32Å; K116-M125 PolarHBondContact O-N 3.15Å; L118-M125 HydrophobicContact CD2-CE 3.4Å; L118-M125 VanDerWaalsContact CD2-CE 3.4Å; L118-M125 HydrophobicContact CG-CE 4.4Å; M125-Y127 HydrophobicContact CB-CE2 4.3Å; M125-Y127 HydrophobicContact CG-CD2 4.27Å; M125-Y127 HydrophobicContact CG-CE2 3.51Å; M125-Y127 HydrophobicContact SD-CD2 4.46Å; M125-Y127 HydrophobicContact SD-CE2 3.26Å; M125-Y127 WeakPolarHBondContact SD-CE2 3.45Å; M125-Y127 PolarHBondContact SD-OH 3.11Å; M125-I132 HydrophobicContact CB-CG2 4.41Å; M125-K133 CarbonylContact C-O 3.59Å; M125-K133 VanDerWaalsContact CA-O 3.24Å; M125-K133 WeakPolarHBondContact CA-O 3.47Å |
| 126 | C | 97.7 | Very high | 94.8 | Very high | 7 Ų | 7 | 74.6 Ų | 74.6 | 5% | 0.047 | 40% | 0.396 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.3 | 123.9 | 173.6 | -58.2 | 0 | 0 | 0 | 0 | 109.2 | C109 E113 E114 K133 | C109-C126 WeakPolarHBondContact CA-SG 3.2Å; C109-C126 HydrophobicContact CB-CB 3.72Å; C109-C126 WeakPolarHBondContact CB-SG 3.26Å; C109-C126 WeakPolarHBondContact SG-CA 3.43Å; C109-C126 WeakPolarHBondContact SG-CB 3.29Å; C109-C126 CovalentContact SG-SG 2.03Å; C109-C126 PolarHBondContact SG-SG 2.89Å; E113-C126 HydrophobicContact CB-CB 4.36Å; E114-C126 WeakPolarHBondContact O-CA 3.41Å; C126-K133 HydrophobicContact CB-CB 4.4Å; C126-K133 PolarHBondContact N-O 2.78Å; C126-K133 PolarHBondContact O-N 2.96Å |
| 127 | Y | 96.7 | Very high | 94.4 | Very high | 71 Ų | 71 | 72.3 Ų | 72.3 | 28% | 0.278 | 39% | 0.392 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.3 | 122.9 | 178.7 | -67.8 | -92.4 | 0 | 0 | 0 | 110.7 | E113 E114 K116 M125 I132 | E113-Y127 CarbonylContact C-O 3.47Å; E113-Y127 WeakPolarHBondContact CA-O 3.06Å; E114-Y127 PolarHBondContact N-O 2.9Å; E114-Y127 PolarHBondContact O-N 3.42Å; K116-Y127 HydrophobicContact CB-CE2 4.1Å; K116-Y127 HydrophobicContact CD-CE2 4.45Å; M125-Y127 HydrophobicContact CB-CE2 4.3Å; M125-Y127 HydrophobicContact CG-CD2 4.27Å; M125-Y127 HydrophobicContact CG-CE2 3.51Å; M125-Y127 HydrophobicContact SD-CD2 4.46Å; M125-Y127 HydrophobicContact SD-CE2 3.26Å; M125-Y127 WeakPolarHBondContact SD-CE2 3.45Å; M125-Y127 PolarHBondContact SD-OH 3.11Å; Y127-I132 HydrophobicContact CD1-CD1 4.05Å; Y127-I132 HydrophobicContact CD1-CG1 3.72Å; Y127-I132 HydrophobicContact CE1-CD1 3.61Å; Y127-I132 HydrophobicContact CE1-CG1 3.79Å; Y127-I132 HydrophobicContact CE1-CG2 4.29Å |
| 128 | A | 95.3 | Very high | 93.5 | Very high | 37 Ų | 37 | 79.2 Ų | 79.2 | 31% | 0.306 | 44% | 0.442 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.3 | 75.6 | 174.3 | 0 | 0 | 0 | 0 | 0 | 108.7 | E113 N130 K131 | E113-A128 HydrophobicContact CG-CB 4.01Å; A128-N130 PolarHBondContact O-N 3.4Å; A128-N130 VanDerWaalsContact O-N 3.12Å; A128-K131 HydrophobicContact CB-CB 4.3Å; A128-K131 PolarHBondContact N-O 3.01Å; A128-K131 PolarHBondContact O-N 3.08Å; A128-K131 VanDerWaalsContact O-N 3.08Å |
| 129 | G | 90.6 | Very high | 93.3 | Very high | 67 Ų | 67 | 82.6 Ų | 82.6 | 69% | 0.691 | 46% | 0.461 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 58.8 | -113.5 | -169.7 | 0 | 0 | 0 | 0 | 0 | 110.9 | K131 | G129-K131 VanDerWaalsContact C-N 3.31Å; G129-K131 PolarHBondContact O-N 2.57Å |
| 130 | N | 91.3 | Very high | 93.2 | Very high | 173 Ų | 173 | 80.3 Ų | 80.3 | 93% | 0.925 | 44% | 0.443 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -84.6 | -3.7 | -178.6 | -57.6 | -0.9 | 0 | 0 | 0 | 113.6 | A128 | A128-N130 PolarHBondContact O-N 3.4Å; A128-N130 VanDerWaalsContact O-N 3.12Å |
| 131 | K | 90.9 | Very high | 93 | Very high | 159 Ų | 159 | 79.2 Ų | 79.2 | 69% | 0.691 | 44% | 0.438 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -99.9 | 127.2 | 179.7 | -66.5 | 179.1 | -179 | 176.5 | 0 | 109.5 | A128 G129 | A128-K131 HydrophobicContact CB-CB 4.3Å; A128-K131 PolarHBondContact N-O 3.01Å; A128-K131 PolarHBondContact O-N 3.08Å; A128-K131 VanDerWaalsContact O-N 3.08Å; G129-K131 VanDerWaalsContact C-N 3.31Å; G129-K131 PolarHBondContact O-N 2.57Å |
| 132 | I | 93 | Very high | 92.9 | Very high | 100 Ų | 100 | 79.4 Ų | 79.4 | 51% | 0.513 | 44% | 0.439 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.2 | 126.6 | 178.1 | -54.4 | 176 | 0 | 0 | 0 | 108.1 | M125 Y127 | M125-I132 HydrophobicContact CB-CG2 4.41Å; Y127-I132 HydrophobicContact CD1-CD1 4.05Å; Y127-I132 HydrophobicContact CD1-CG1 3.72Å; Y127-I132 HydrophobicContact CE1-CD1 3.61Å; Y127-I132 HydrophobicContact CE1-CG1 3.79Å; Y127-I132 HydrophobicContact CE1-CG2 4.29Å |
| 133 | K | 92.9 | Very high | 92.7 | Very high | 87 Ų | 87 | 82.6 Ų | 82.6 | 38% | 0.378 | 45% | 0.454 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.6 | 120 | 172.1 | -61.9 | 170.7 | -172.2 | 157.8 | 0 | 108.3 | E113 M125 C126 | E113-K133 IonicContact OE1-NZ 3.63Å; E113-K133 PolarHBondContact OE1-NZ 3.48Å; E113-K133 IonicContact OE2-NZ 2.68Å; M125-K133 CarbonylContact C-O 3.59Å; M125-K133 VanDerWaalsContact CA-O 3.24Å; M125-K133 WeakPolarHBondContact CA-O 3.47Å; C126-K133 HydrophobicContact CB-CB 4.4Å; C126-K133 PolarHBondContact N-O 2.78Å; C126-K133 PolarHBondContact O-N 2.96Å |
| 134 | T | 93.3 | Very high | 92.5 | Very high | 74 Ų | 74 | 88.1 Ų | 88.1 | 45% | 0.454 | 48% | 0.484 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.7 | 132 | 178 | -58 | 0 | 0 | 0 | 0 | 109.5 | L118 R136 | L118-T134 HydrophobicContact CD1-CG2 4.22Å; L118-T134 HydrophobicContact CD2-CG2 4.11Å; T134-R136 HydrophobicContact CG2-CG 4.45Å |
| 135 | T | 92.9 | Very high | 92.1 | Very high | 54 Ų | 54 | 92.8 Ų | 92.8 | 33% | 0.331 | 51% | 0.513 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.7 | 131.1 | 170.4 | -54.2 | 0 | 0 | 0 | 0 | 109.3 | G123 W124 | G123-T135 WeakPolarHBondContact CA-O 3.46Å; W124-T135 VanDerWaalsContact CE2-CB 3.45Å; W124-T135 HydrophobicContact CH2-CG2 3.31Å; W124-T135 HydrophobicContact CZ2-CG2 3.25Å; W124-T135 HydrophobicContact CZ3-CG2 4Å; W124-T135 PolarHBondContact N-O 3.44Å; W124-T135 PolarHBondContact O-N 2.95Å; W124-T135 VanDerWaalsContact O-O 3.13Å |
| 136 | R | 92.2 | Very high | 91.8 | Very high | 187 Ų | 187 | 98.2 Ų | 98.2 | 71% | 0.706 | 54% | 0.544 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -113.9 | 144.2 | 175 | -68.6 | -172.3 | 177.3 | 118.3 | -2.1 | 109.7 | L118 S122 T134 | L118-R136 HydrophobicContact CD1-CG 3.83Å; S122-R136 CarbonylContact O-C 3.56Å; S122-R136 WeakPolarHBondContact O-CA 3.22Å; T134-R136 HydrophobicContact CG2-CG 4.45Å |
| 137 | V | 89.1 | Confident | 91.3 | Very high | 73 Ų | 73 | 105.8 Ų | 105.8 | 44% | 0.442 | 59% | 0.585 | S | S | . | * | trans | -106.6 | 117.8 | 172.4 | -173.1 | 0 | 0 | 0 | 0 | 106.4 | W103 S122 W124 | W103-V137 HydrophobicContact CH2-CG2 4.34Å; W103-V137 HydrophobicContact CZ3-CG2 4.36Å; S122-V137 PolarHBondContact O-N 3.26Å; W124-V137 HydrophobicContact CH2-CG2 4.49Å; W124-V137 HydrophobicContact CZ3-CG2 3.74Å | ||
| 138 | S | 77.1 | Confident | 90.8 | Very high | 187 Ų | 187 | 108.9 Ų | 108.9 | 100% | 1.308 | 61% | 0.613 | S | S | * | * | trans | -96.6 | 0 | -179.9 | 60 | 0 | 0 | 0 | 0 | 112 |
Retrieved 138 of 138 residues in 167.8 ms
(Link to these results)