| 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 | 59.3 | Low | 77.2 | Confident | 198 Ų | 198 | 133.3 Ų | 133.3 | 98% | 0.975 | 64% | 0.635 | S | S | * | * | 0 | -46.2 | 0 | -63.3 | -63.7 | 160.5 | 0 | 0 | 113.4 | |||||
| 2 | K | 63.8 | Low | 77.1 | Confident | 189 Ų | 189 | 134.4 Ų | 134.4 | 82% | 0.822 | 64% | 0.636 | S | S | * | * | H | α-helix | trans | -73.9 | -34.6 | -175.9 | -150.2 | 167.2 | 174.5 | 178.8 | 0 | 115.1 | F6 | K2-F6 PolarHBondContact O-N 2.98Å |
| 3 | I | 76.8 | Confident | 76.9 | Confident | 135 Ų | 135 | 138.5 Ų | 138.5 | 69% | 0.692 | 64% | 0.642 | S | S | * | * | H | α-helix | trans | -74.8 | -38.2 | -177.3 | -63.4 | 155.2 | 0 | 0 | 0 | 112.2 | L5 F6 F7 | I3-L5 VanDerWaalsContact C-N 3.31Å; I3-L5 PolarHBondContact O-N 2.86Å; I3-F6 WeakPolarHBondContact O-CB 3.35Å; I3-F6 PolarHBondContact O-N 3.17Å; I3-F7 PolarHBondContact O-N 2.98Å; I3-F7 VanDerWaalsContact O-N 3.11Å |
| 4 | Q | 76.8 | Confident | 76.8 | Confident | 131 Ų | 131 | 135.1 Ų | 135.1 | 61% | 0.612 | 64% | 0.635 | S | S | * | * | H | α-helix | trans | -63.9 | -38.9 | 177.2 | -71.9 | -169.4 | -39 | 0 | 0 | 111.5 | F6 F7 F8 | Q4-F6 VanDerWaalsContact C-N 3.28Å; Q4-F6 PolarHBondContact O-N 3.28Å; Q4-F7 PolarHBondContact O-N 2.89Å; Q4-F8 WeakPolarHBondContact O-CD2 3.27Å; Q4-F8 PolarHBondContact O-N 3.48Å |
| 5 | L | 79.5 | Confident | 76.6 | Confident | 116 Ų | 116 | 131.7 Ų | 131.7 | 61% | 0.607 | 63% | 0.628 | S | S | * | * | H | α-helix | trans | -58 | -42.6 | 173.8 | -122 | 108 | 0 | 0 | 0 | 111.9 | I3 F7 F8 I9 | I3-L5 VanDerWaalsContact C-N 3.31Å; I3-L5 PolarHBondContact O-N 2.86Å; L5-F7 VanDerWaalsContact C-N 3.34Å; L5-F7 PolarHBondContact O-N 3.32Å; L5-F8 PolarHBondContact O-N 3.31Å; L5-I9 WeakPolarHBondContact O-CD1 3.04Å; L5-I9 VanDerWaalsContact O-CG1 3.26Å; L5-I9 WeakPolarHBondContact O-CG1 2.88Å; L5-I9 PolarHBondContact O-N 3.33Å |
| 6 | F | 80.7 | Confident | 76 | Confident | 136 Ų | 136 | 127.4 Ų | 127.4 | 60% | 0.596 | 61% | 0.612 | S | S | * | * | H | α-helix | trans | -63.9 | -41.1 | 178.7 | -153.2 | -92.1 | 0 | 0 | 0 | 111.8 | K2 I3 Q4 I9 L10 | K2-F6 PolarHBondContact O-N 2.98Å; I3-F6 WeakPolarHBondContact O-CB 3.35Å; I3-F6 PolarHBondContact O-N 3.17Å; Q4-F6 VanDerWaalsContact C-N 3.28Å; Q4-F6 PolarHBondContact O-N 3.28Å; F6-I9 PolarHBondContact O-N 3.37Å; F6-L10 HydrophobicContact CD1-CD1 3.77Å; F6-L10 HydrophobicContact CD1-CG 4.19Å; F6-L10 HydrophobicContact CE1-CD1 3.92Å; F6-L10 HydrophobicContact CE1-CG 4.22Å; F6-L10 WeakPolarHBondContact O-CG 3.47Å; F6-L10 PolarHBondContact O-N 3.17Å |
| 7 | F | 81.6 | Confident | 75.2 | Confident | 134 Ų | 134 | 124.4 Ų | 124.4 | 59% | 0.588 | 61% | 0.607 | S | S | * | * | H | α-helix | trans | -63 | -41.9 | 175 | -118.3 | -88.3 | 0 | 0 | 0 | 112.4 | I3 Q4 L5 L10 L11 | I3-F7 PolarHBondContact O-N 2.98Å; I3-F7 VanDerWaalsContact O-N 3.11Å; Q4-F7 PolarHBondContact O-N 2.89Å; L5-F7 VanDerWaalsContact C-N 3.34Å; L5-F7 PolarHBondContact O-N 3.32Å; F7-L10 PolarHBondContact O-N 3.13Å; F7-L11 HydrophobicContact CD1-CD1 4.43Å; F7-L11 VanDerWaalsContact O-CG 3.32Å; F7-L11 WeakPolarHBondContact O-CG 3.27Å; F7-L11 PolarHBondContact O-N 3.05Å |
| 8 | F | 81.7 | Confident | 74.4 | Confident | 155 Ų | 155 | 124.1 Ų | 124.1 | 68% | 0.68 | 60% | 0.604 | S | S | * | * | H | α-helix | trans | -62.2 | -42.3 | 174.9 | -91.2 | -77.1 | 0 | 0 | 0 | 112.2 | Q4 L5 L11 F12 | Q4-F8 WeakPolarHBondContact O-CD2 3.27Å; Q4-F8 PolarHBondContact O-N 3.48Å; L5-F8 PolarHBondContact O-N 3.31Å; F8-L11 PolarHBondContact O-N 3.18Å; F8-F12 WeakPolarHBondContact O-CB 3.44Å; F8-F12 PolarHBondContact O-N 2.89Å |
| 9 | I | 84.6 | Confident | 73.6 | Confident | 86 Ų | 86 | 120.1 Ų | 120.1 | 44% | 0.441 | 59% | 0.594 | S | S | . | * | H | α-helix | trans | -63.3 | -43.4 | 177.4 | -66 | 161.1 | 0 | 0 | 0 | 110.8 | L5 F6 F12 W13 | L5-I9 WeakPolarHBondContact O-CD1 3.04Å; L5-I9 VanDerWaalsContact O-CG1 3.26Å; L5-I9 WeakPolarHBondContact O-CG1 2.88Å; L5-I9 PolarHBondContact O-N 3.33Å; F6-I9 PolarHBondContact O-N 3.37Å; I9-F12 PolarHBondContact O-N 3.18Å; I9-W13 HydrophobicContact CG2-CE3 4.42Å; I9-W13 PolarHBondContact O-N 2.75Å |
| 10 | L | 84.1 | Confident | 72.9 | Confident | 84 Ų | 84 | 122.7 Ų | 122.7 | 44% | 0.44 | 60% | 0.601 | S | S | . | * | H | α-helix | trans | -62.1 | -45.9 | 177.1 | -74 | 171.3 | 0 | 0 | 0 | 112 | F6 F7 F12 W13 V14 | F6-L10 HydrophobicContact CD1-CD1 3.77Å; F6-L10 HydrophobicContact CD1-CG 4.19Å; F6-L10 HydrophobicContact CE1-CD1 3.92Å; F6-L10 HydrophobicContact CE1-CG 4.22Å; F6-L10 WeakPolarHBondContact O-CG 3.47Å; F6-L10 PolarHBondContact O-N 3.17Å; F7-L10 PolarHBondContact O-N 3.13Å; L10-F12 VanDerWaalsContact C-N 3.32Å; L10-F12 PolarHBondContact O-N 2.03Å; L10-W13 PolarHBondContact O-N 2.59Å; L10-V14 WeakPolarHBondContact O-CG2 3.02Å; L10-V14 PolarHBondContact O-N 2.81Å; L10-V14 VanDerWaalsContact O-N 3.08Å |
| 11 | L | 80.1 | Confident | 72.3 | Confident | 102 Ų | 102 | 125 Ų | 125 | 53% | 0.534 | 61% | 0.608 | S | S | . | * | H | α-helix | trans | -62.9 | -39.4 | 177.6 | -72.3 | 167.7 | 0 | 0 | 0 | 111.8 | F7 F8 T15 | F7-L11 HydrophobicContact CD1-CD1 4.43Å; F7-L11 VanDerWaalsContact O-CG 3.32Å; F7-L11 WeakPolarHBondContact O-CG 3.27Å; F7-L11 PolarHBondContact O-N 3.05Å; F8-L11 PolarHBondContact O-N 3.18Å; L11-T15 WeakPolarHBondContact O-CB 3.05Å; L11-T15 WeakPolarHBondContact O-CG2 3.43Å; L11-T15 PolarHBondContact O-N 2.83Å; L11-T15 VanDerWaalsContact O-N 3.07Å; L11-T15 PolarHBondContact O-OG1 3.34Å |
| 12 | F | 76.8 | Confident | 72.2 | Confident | 147 Ų | 147 | 123 Ų | 123 | 65% | 0.645 | 59% | 0.594 | S | S | * | * | H | α-helix | trans | -65.6 | -39.7 | 176.9 | -147.8 | -94.2 | 0 | 0 | 0 | 111.6 | F8 I9 L10 T15 V16 | F8-F12 WeakPolarHBondContact O-CB 3.44Å; F8-F12 PolarHBondContact O-N 2.89Å; I9-F12 PolarHBondContact O-N 3.18Å; L10-F12 VanDerWaalsContact C-N 3.32Å; L10-F12 PolarHBondContact O-N 2.03Å; F12-T15 WeakPolarHBondContact CA-OG1 3.24Å; F12-T15 PolarHBondContact O-OG1 2.86Å; F12-V16 HydrophobicContact CD1-CG2 3.79Å; F12-V16 HydrophobicContact CE1-CG2 3.79Å; F12-V16 WeakPolarHBondContact O-CB 3.22Å; F12-V16 WeakPolarHBondContact O-CG2 3.45Å; F12-V16 PolarHBondContact O-N 2.85Å |
| 13 | W | 74 | Confident | 71.6 | Confident | 187 Ų | 187 | 120.9 Ų | 120.9 | 71% | 0.708 | 58% | 0.582 | S | S | * | * | H | α-helix | trans | -67.3 | -42.6 | 179.5 | -138.1 | -30.5 | 0 | 0 | 0 | 112.5 | I9 L10 S17 | I9-W13 HydrophobicContact CG2-CE3 4.42Å; I9-W13 PolarHBondContact O-N 2.75Å; L10-W13 PolarHBondContact O-N 2.59Å; W13-S17 VanDerWaalsContact O-CB 3.23Å; W13-S17 WeakPolarHBondContact O-CB 3.42Å; W13-S17 PolarHBondContact O-N 3.24Å |
| 14 | V | 75.7 | Confident | 70.6 | Confident | 91 Ų | 91 | 118.3 Ų | 118.3 | 55% | 0.552 | 57% | 0.574 | S | S | * | * | H | α-helix | trans | -64.8 | -43.6 | 178.3 | 173.3 | 0 | 0 | 0 | 0 | 110.8 | L10 S17 Q18 | L10-V14 WeakPolarHBondContact O-CG2 3.02Å; L10-V14 PolarHBondContact O-N 2.81Å; L10-V14 VanDerWaalsContact O-N 3.08Å; V14-S17 PolarHBondContact O-N 2.93Å; V14-Q18 WeakPolarHBondContact O-CB 3.47Å; V14-Q18 WeakPolarHBondContact O-CG 3.29Å; V14-Q18 PolarHBondContact O-N 2.02Å |
| 15 | T | 73.8 | Confident | 69.5 | Low | 85 Ų | 85 | 120 Ų | 120 | 52% | 0.521 | 58% | 0.582 | S | S | . | * | H | α-helix | trans | -67.9 | -43.9 | 179.5 | 48.5 | 0 | 0 | 0 | 0 | 112.6 | L11 F12 S17 Q18 A19 | L11-T15 WeakPolarHBondContact O-CB 3.05Å; L11-T15 WeakPolarHBondContact O-CG2 3.43Å; L11-T15 PolarHBondContact O-N 2.83Å; L11-T15 VanDerWaalsContact O-N 3.07Å; L11-T15 PolarHBondContact O-OG1 3.34Å; F12-T15 WeakPolarHBondContact CA-OG1 3.24Å; F12-T15 PolarHBondContact O-OG1 2.86Å; T15-S17 VanDerWaalsContact C-N 3.34Å; T15-S17 PolarHBondContact O-N 3.21Å; T15-Q18 PolarHBondContact O-N 3.29Å; T15-A19 PolarHBondContact O-N 2.83Å |
| 16 | V | 67.4 | Low | 68.1 | Low | 62 Ų | 62 | 125 Ų | 125 | 38% | 0.376 | 59% | 0.594 | S | S | . | * | H | α-helix | trans | -63.9 | -39.1 | 175.6 | 171.7 | 0 | 0 | 0 | 0 | 111.6 | F12 A19 K20 | F12-V16 HydrophobicContact CD1-CG2 3.79Å; F12-V16 HydrophobicContact CE1-CG2 3.79Å; F12-V16 WeakPolarHBondContact O-CB 3.22Å; F12-V16 WeakPolarHBondContact O-CG2 3.45Å; F12-V16 PolarHBondContact O-N 2.85Å; V16-A19 PolarHBondContact O-N 2.93Å; V16-K20 PolarHBondContact O-N 3.42Å; V16-K20 VanDerWaalsContact O-N 3.16Å |
| 17 | S | 61.7 | Low | 67.1 | Low | 76 Ų | 76 | 120.6 Ų | 120.6 | 53% | 0.531 | 59% | 0.588 | S | S | . | * | H | α-helix | trans | -66.1 | -43.1 | 178.2 | -166.8 | 0 | 0 | 0 | 0 | 112.1 | W13 V14 T15 A19 K20 K21 | W13-S17 VanDerWaalsContact O-CB 3.23Å; W13-S17 WeakPolarHBondContact O-CB 3.42Å; W13-S17 PolarHBondContact O-N 3.24Å; V14-S17 PolarHBondContact O-N 2.93Å; T15-S17 VanDerWaalsContact C-N 3.34Å; T15-S17 PolarHBondContact O-N 3.21Å; S17-A19 VanDerWaalsContact C-N 3.33Å; S17-A19 PolarHBondContact O-N 3.35Å; S17-K20 PolarHBondContact O-N 3.49Å; S17-K21 PolarHBondContact O-N 2.86Å |
| 18 | Q | 60.9 | Low | 66.4 | Low | 119 Ų | 119 | 117.3 Ų | 117.3 | 56% | 0.556 | 58% | 0.581 | S | S | * | * | H | α-helix | trans | -64.5 | -36.5 | 175.4 | -69.1 | -82.5 | 46.3 | 0 | 0 | 112.2 | V14 T15 K21 K22 | V14-Q18 WeakPolarHBondContact O-CB 3.47Å; V14-Q18 WeakPolarHBondContact O-CG 3.29Å; V14-Q18 PolarHBondContact O-N 2.02Å; T15-Q18 PolarHBondContact O-N 3.29Å; Q18-K21 PolarHBondContact O-N 3.1Å; Q18-K22 WeakPolarHBondContact O-CB 3.42Å; Q18-K22 PolarHBondContact O-N 2.75Å |
| 19 | A | 59.9 | Low | 65.9 | Low | 49 Ų | 49 | 114.9 Ų | 114.9 | 41% | 0.405 | 58% | 0.575 | S | S | . | * | H | α-helix | trans | -63.5 | -42.8 | 176 | 0 | 0 | 0 | 0 | 0 | 112.4 | T15 V16 S17 K21 K22 Y23 | T15-A19 PolarHBondContact O-N 2.83Å; V16-A19 PolarHBondContact O-N 2.93Å; S17-A19 VanDerWaalsContact C-N 3.33Å; S17-A19 PolarHBondContact O-N 3.35Å; A19-K21 VanDerWaalsContact C-N 3.25Å; A19-K21 PolarHBondContact O-N 3.13Å; A19-K22 PolarHBondContact O-N 3.05Å; A19-Y23 PolarHBondContact O-N 3.34Å |
| 20 | K | 59 | Low | 65.7 | Low | 172 Ų | 172 | 115.5 Ų | 115.5 | 75% | 0.748 | 58% | 0.579 | S | S | * | * | H | α-helix | trans | -60.8 | -34.4 | 173.7 | -74.7 | -168.4 | 177.8 | -170.3 | 0 | 112.7 | V16 S17 | V16-K20 PolarHBondContact O-N 3.42Å; V16-K20 VanDerWaalsContact O-N 3.16Å; S17-K20 PolarHBondContact O-N 3.49Å |
| 21 | K | 59.4 | Low | 65.7 | Low | 170 Ų | 170 | 113.9 Ų | 113.9 | 74% | 0.739 | 57% | 0.57 | S | S | * | * | H | α-helix | trans | -74.3 | -31.1 | 179.1 | -160.5 | 176.5 | -177 | 179.1 | 0 | 112.8 | S17 Q18 A19 | S17-K21 PolarHBondContact O-N 2.86Å; Q18-K21 PolarHBondContact O-N 3.1Å; A19-K21 VanDerWaalsContact C-N 3.25Å; A19-K21 PolarHBondContact O-N 3.13Å |
| 22 | K | 57.4 | Low | 65.9 | Low | 158 Ų | 158 | 115.8 Ų | 115.8 | 69% | 0.687 | 57% | 0.57 | S | S | * | * | H | α-helix | trans | -83.8 | -22.1 | -173.9 | -166.4 | 166.8 | -177.5 | -179.8 | 0 | 114.3 | Q18 A19 P24 | Q18-K22 WeakPolarHBondContact O-CB 3.42Å; Q18-K22 PolarHBondContact O-N 2.75Å; A19-K22 PolarHBondContact O-N 3.05Å; K22-P24 VanDerWaalsContact O-CD 3.24Å; K22-P24 WeakPolarHBondContact O-CD 2.94Å |
| 23 | Y | 52.4 | Low | 66.4 | Low | 143 Ų | 143 | 118.2 Ų | 118.2 | 56% | 0.561 | 58% | 0.575 | S | S | * | * | trans | -119 | 68.4 | 179.9 | -62.6 | -80.1 | 0 | 0 | 0 | 112.2 | A19 E25 Y26 | A19-Y23 PolarHBondContact O-N 3.34Å; Y23-E25 PolarHBondContact O-N 2.8Å; Y23-Y26 PolarHBondContact O-N 2.78Å | ||
| 24 | P | 55 | Low | 67.1 | Low | 81 Ų | 81 | 114.8 Ų | 114.8 | 53% | 0.526 | 57% | 0.567 | S | S | . | * | G | 310 helix | trans | -63.8 | -20.1 | 172.3 | 29.6 | -34.9 | 0 | 0 | 0 | 112 | K22 Y26 G27 | K22-P24 VanDerWaalsContact O-CD 3.24Å; K22-P24 WeakPolarHBondContact O-CD 2.94Å; P24-Y26 PolarHBondContact O-N 3.47Å; P24-G27 CarbonylContact O-C 3.26Å; P24-G27 VanDerWaalsContact O-C 3.26Å; P24-G27 VanDerWaalsContact O-CA 3.25Å; P24-G27 WeakPolarHBondContact O-CA 3.42Å; P24-G27 PolarHBondContact O-N 2.02Å |
| 25 | E | 53.8 | Low | 67.7 | Low | 168 Ų | 168 | 110.6 Ų | 110.6 | 79% | 0.785 | 54% | 0.542 | S | S | * | . | G | 310 helix | trans | -56.7 | -28.6 | 174.5 | -54.5 | -84.8 | 113.8 | 0 | 0 | 112.8 | Y23 | Y23-E25 PolarHBondContact O-N 2.8Š|
| 26 | Y | 49.8 | Very low | 68.5 | Low | 220 Ų | 220 | 116.4 Ų | 116.4 | 86% | 0.863 | 55% | 0.554 | S | S | * | * | G | 310 helix | trans | -89.9 | -14.5 | 171.6 | -91.4 | -88.3 | 0 | 0 | 0 | 113.1 | Y23 P24 S28 | Y23-Y26 PolarHBondContact O-N 2.78Å; P24-Y26 PolarHBondContact O-N 3.47Å; Y26-S28 PolarHBondContact O-N 3.08Å |
| 27 | G | 60.3 | Low | 69.5 | Low | 44 Ų | 44 | 120.2 Ų | 120.2 | 45% | 0.454 | 57% | 0.57 | S | S | . | * | S | Bend | trans | -93.7 | 85.8 | 176.8 | 0 | 0 | 0 | 0 | 0 | 110.7 | P24 | P24-G27 CarbonylContact O-C 3.26Å; P24-G27 VanDerWaalsContact O-C 3.26Å; P24-G27 VanDerWaalsContact O-CA 3.25Å; P24-G27 WeakPolarHBondContact O-CA 3.42Å; P24-G27 PolarHBondContact O-N 2.02Å |
| 28 | S | 65.7 | Low | 70.7 | Confident | 64 Ų | 64 | 118.7 Ų | 118.7 | 45% | 0.448 | 57% | 0.566 | S | S | . | * | trans | 52.6 | 93.6 | 173.6 | 57.5 | 0 | 0 | 0 | 0 | 114.8 | Y26 D30 | Y26-S28 PolarHBondContact O-N 3.08Å; S28-D30 PolarHBondContact O-N 2.82Å; S28-D30 VanDerWaalsContact O-N 3.08Å | ||
| 29 | L | 71.3 | Confident | 72.1 | Confident | 105 Ų | 105 | 120.1 Ų | 120.1 | 55% | 0.55 | 58% | 0.578 | S | S | . | * | trans | -50.3 | 115 | 164.6 | -166.9 | 86.4 | 0 | 0 | 0 | 109.8 | L31 | L29-L31 HydrophobicContact CD2-CD1 3.44Å; L29-L31 VanDerWaalsContact CD2-CD1 3.44Å; L29-L31 HydrophobicContact CD2-CD2 4Å; L29-L31 HydrophobicContact CD2-CG 3.61Å; L29-L31 HydrophobicContact CG-CD1 4.33Å; L29-L31 HydrophobicContact CG-CD2 4.24Å; L29-L31 HydrophobicContact CG-CG 3.95Å | ||
| 30 | D | 81.6 | Confident | 73.5 | Confident | 99 Ų | 99 | 118.2 Ų | 118.2 | 53% | 0.529 | 56% | 0.563 | S | S | . | * | B | Isolated β-bridge | trans | -98.8 | 99.6 | 176.1 | -169.5 | -6.4 | 0 | 0 | 0 | 110.1 | S28 R32 C56 | S28-D30 PolarHBondContact O-N 2.82Å; S28-D30 VanDerWaalsContact O-N 3.08Å; D30-R32 VanDerWaalsContact OD1-CB 3.25Å; D30-R32 WeakPolarHBondContact OD1-CB 3.39Å; D30-R32 PolarHBondContact OD1-N 3.24Å; D30-C56 CarbonylContact C-O 3.47Å; D30-C56 VanDerWaalsContact CA-O 3.31Å; D30-C56 WeakPolarHBondContact CA-O 3.39Å |
| 31 | L | 83.6 | Confident | 75.1 | Confident | 50 Ų | 50 | 118.7 Ų | 118.7 | 26% | 0.262 | 56% | 0.56 | S | S | . | * | trans | -99.8 | 18.9 | 178.1 | -64.3 | 171.7 | 0 | 0 | 0 | 112.2 | L29 R33 E34 C35 A54 Y55 C56 | L29-L31 HydrophobicContact CD2-CD1 3.44Å; L29-L31 VanDerWaalsContact CD2-CD1 3.44Å; L29-L31 HydrophobicContact CD2-CD2 4Å; L29-L31 HydrophobicContact CD2-CG 3.61Å; L29-L31 HydrophobicContact CG-CD1 4.33Å; L29-L31 HydrophobicContact CG-CD2 4.24Å; L29-L31 HydrophobicContact CG-CG 3.95Å; L31-R33 PolarHBondContact O-N 3.25Å; L31-E34 HydrophobicContact CD2-CB 4.47Å; L31-E34 HydrophobicContact CD2-CG 3.95Å; L31-E34 PolarHBondContact O-N 3.01Å; L31-C35 WeakPolarHBondContact O-CB 3.28Å; L31-C35 PolarHBondContact O-N 3.18Å; L31-A54 HydrophobicContact CD1-CB 4.07Å; L31-Y55 WeakPolarHBondContact CB-O 3.46Å; L31-Y55 WeakPolarHBondContact CD1-O 3Å; L31-C56 PolarHBondContact N-O 3.29Å | ||
| 32 | R | 85.1 | Confident | 76.5 | Confident | 141 Ų | 141 | 112.6 Ų | 112.6 | 53% | 0.532 | 54% | 0.538 | S | S | . | . | H | α-helix | trans | -54 | -40.5 | 177.2 | -103 | 175.1 | 166.8 | -174.2 | -2.9 | 112.9 | D30 R36 C42 C56 | D30-R32 VanDerWaalsContact OD1-CB 3.25Å; D30-R32 WeakPolarHBondContact OD1-CB 3.39Å; D30-R32 PolarHBondContact OD1-N 3.24Å; R32-R36 WeakPolarHBondContact O-CB 3.47Å; R32-R36 PolarHBondContact O-N 3.36Å; R32-C42 WeakPolarHBondContact CG-SG 3.31Å; R32-C56 HydrophobicContact CG-CB 4.11Å |
| 33 | R | 86.8 | Confident | 78.1 | Confident | 198 Ų | 198 | 108.2 Ų | 108.2 | 75% | 0.747 | 52% | 0.519 | S | S | * | . | H | α-helix | trans | -66.6 | -49.9 | -177.2 | -164.3 | 179.4 | -131.2 | 163.2 | 1.8 | 110.8 | L31 C35 R36 M37 | L31-R33 PolarHBondContact O-N 3.25Å; R33-C35 VanDerWaalsContact C-N 3.32Å; R33-C35 PolarHBondContact O-N 3.36Å; R33-R36 PolarHBondContact O-N 3.16Å; R33-R36 VanDerWaalsContact O-N 3.13Å; R33-M37 WeakPolarHBondContact O-CG 3.22Å; R33-M37 PolarHBondContact O-N 3.25Å |
| 34 | E | 87.8 | Confident | 79.9 | Confident | 115 Ų | 115 | 107.4 Ų | 107.4 | 54% | 0.537 | 52% | 0.524 | S | S | . | . | H | α-helix | trans | -58.3 | -44.6 | 176.4 | -54.9 | -51.2 | 133.2 | 0 | 0 | 111.4 | L31 R36 M37 G38 | L31-E34 HydrophobicContact CD2-CB 4.47Å; L31-E34 HydrophobicContact CD2-CG 3.95Å; L31-E34 PolarHBondContact O-N 3.01Å; E34-R36 VanDerWaalsContact C-N 3.31Å; E34-R36 PolarHBondContact O-N 3.34Å; E34-M37 PolarHBondContact O-N 3.05Å; E34-G38 PolarHBondContact O-N 2.98Å |
| 35 | C | 89.4 | Confident | 81.5 | Confident | 4 Ų | 4 | 111.3 Ų | 111.3 | 3% | 0.027 | 54% | 0.535 | C | S | . | . | H | α-helix | trans | -56.6 | -45.3 | 175.8 | -173.9 | 0 | 0 | 0 | 0 | 112 | L31 R33 G38 G40 C56 C63 | L31-C35 WeakPolarHBondContact O-CB 3.28Å; L31-C35 PolarHBondContact O-N 3.18Å; R33-C35 VanDerWaalsContact C-N 3.32Å; R33-C35 PolarHBondContact O-N 3.36Å; C35-G38 PolarHBondContact O-N 2.98Å; C35-G40 VanDerWaalsContact O-CA 3.28Å; C35-G40 WeakPolarHBondContact O-CA 3.43Å; C35-G40 PolarHBondContact O-N 2.97Å; C35-C56 VanDerWaalsContact SG-SG 3.68Å; C35-C63 WeakPolarHBondContact CA-SG 3.26Å; C35-C63 HydrophobicContact CB-CB 3.73Å; C35-C63 WeakPolarHBondContact CB-SG 3.33Å; C35-C63 VanDerWaalsContact SG-CA 3.53Å; C35-C63 WeakPolarHBondContact SG-CB 3.5Å; C35-C63 CovalentContact SG-SG 2.02Å; C35-C63 PolarHBondContact SG-SG 3.45Å |
| 36 | R | 89.2 | Confident | 83.2 | Confident | 206 Ų | 206 | 104.6 Ų | 104.6 | 78% | 0.777 | 51% | 0.507 | S | S | * | . | H | α-helix | trans | -69.9 | -34.9 | 179.9 | -162.1 | 177.3 | -164.7 | 170.5 | 5 | 112.4 | R32 R33 E34 G38 N39 | R32-R36 WeakPolarHBondContact O-CB 3.47Å; R32-R36 PolarHBondContact O-N 3.36Å; R33-R36 PolarHBondContact O-N 3.16Å; R33-R36 VanDerWaalsContact O-N 3.13Å; E34-R36 VanDerWaalsContact C-N 3.31Å; E34-R36 PolarHBondContact O-N 3.34Å; R36-G38 VanDerWaalsContact C-N 3.27Å; R36-G38 PolarHBondContact O-N 2.8Å; R36-N39 PolarHBondContact O-N 3.47Å |
| 37 | M | 90.1 | Very high | 85 | Confident | 143 Ų | 143 | 99.7 Ų | 99.7 | 70% | 0.704 | 49% | 0.492 | S | S | * | . | H | α-helix | trans | -64.9 | -33.1 | 174.4 | -71.5 | -177.5 | 80.7 | 0 | 0 | 111.8 | R33 E34 N39 | R33-M37 WeakPolarHBondContact O-CG 3.22Å; R33-M37 PolarHBondContact O-N 3.25Å; E34-M37 PolarHBondContact O-N 3.05Å; M37-N39 PolarHBondContact O-N 3.46Å |
| 38 | G | 86.8 | Confident | 86.3 | Confident | 44 Ų | 44 | 107 Ų | 107 | 45% | 0.454 | 51% | 0.514 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -77.7 | 9.2 | 172.7 | 0 | 0 | 0 | 0 | 0 | 115.4 | E34 C35 R36 G40 L65 | E34-G38 PolarHBondContact O-N 2.98Å; C35-G38 PolarHBondContact O-N 2.98Å; R36-G38 VanDerWaalsContact C-N 3.27Å; R36-G38 PolarHBondContact O-N 2.8Å; G38-G40 PolarHBondContact O-N 3.02Å; G38-L65 WeakPolarHBondContact O-CD2 3.41Å |
| 39 | N | 89.6 | Confident | 87.4 | Confident | 149 Ų | 149 | 108.5 Ų | 108.5 | 80% | 0.797 | 52% | 0.517 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 59.9 | 22.9 | -169.2 | -68.2 | -28.6 | 0 | 0 | 0 | 114.7 | R36 M37 | R36-N39 PolarHBondContact O-N 3.47Å; M37-N39 PolarHBondContact O-N 3.46Å |
| 40 | G | 90.3 | Very high | 88.2 | Confident | 9 Ų | 9 | 104.9 Ų | 104.9 | 9% | 0.093 | 50% | 0.497 | C | S | . | . | trans | -87.6 | 164.3 | 175.6 | 0 | 0 | 0 | 0 | 0 | 113.6 | C35 G38 C64 | C35-G40 VanDerWaalsContact O-CA 3.28Å; C35-G40 WeakPolarHBondContact O-CA 3.43Å; C35-G40 PolarHBondContact O-N 2.97Å; G38-G40 PolarHBondContact O-N 3.02Å; G40-C64 CarbonylContact C-O 3.5Å; G40-C64 WeakPolarHBondContact CA-O 3.23Å | ||
| 41 | R | 90.9 | Very high | 88.5 | Confident | 182 Ų | 182 | 104.2 Ų | 104.2 | 69% | 0.687 | 49% | 0.493 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -122.4 | 139.9 | 172.9 | -66.8 | -172.9 | -177.7 | -167.4 | 2.7 | 111.1 | C64 | R41-C64 PolarHBondContact N-O 3.38Å; R41-C64 PolarHBondContact O-N 3.21Å |
| 42 | C | 90.3 | Very high | 88.5 | Confident | 41 Ų | 41 | 108 Ų | 108 | 28% | 0.277 | 50% | 0.503 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -81.3 | 120.4 | 173.7 | -58 | 0 | 0 | 0 | 0 | 110.6 | R32 C56 H62 | R32-C42 WeakPolarHBondContact CG-SG 3.31Å; C42-C56 VanDerWaalsContact CA-SG 3.52Å; C42-C56 HydrophobicContact CB-CB 3.66Å; C42-C56 WeakPolarHBondContact CB-SG 3.4Å; C42-C56 WeakPolarHBondContact SG-CB 3.24Å; C42-C56 CovalentContact SG-SG 2.02Å; C42-C56 PolarHBondContact SG-SG 2.99Å; C42-H62 CarbonylContact C-O 3.52Å; C42-H62 VanDerWaalsContact CA-O 3.22Å; C42-H62 WeakPolarHBondContact CA-O 3.48Å |
| 43 | K | 90.8 | Very high | 88.4 | Confident | 67 Ų | 67 | 106 Ų | 106 | 29% | 0.291 | 50% | 0.502 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.9 | 157.9 | 178.9 | -59.1 | -179.2 | -175.6 | 175.9 | 0 | 110.4 | Q45 E50 T61 H62 C64 | K43-Q45 VanDerWaalsContact C-N 3.25Å; K43-Q45 VanDerWaalsContact CB-O 3.31Å; K43-Q45 WeakPolarHBondContact CB-O 3.41Å; K43-Q45 PolarHBondContact O-N 3.41Å; K43-E50 IonicContact NZ-OE1 2.59Å; K43-E50 PolarHBondContact NZ-OE1 3.45Å; K43-E50 IonicContact NZ-OE2 2.75Å; K43-E50 PolarHBondContact NZ-OE2 3.37Å; K43-T61 CarbonylContact O-C 3.51Å; K43-H62 PolarHBondContact N-O 2.99Å; K43-H62 PolarHBondContact O-N 3.35Å; K43-C64 HydrophobicContact CD-CB 4.47Å |
| 44 | N | 89 | Confident | 88.2 | Confident | 126 Ų | 126 | 98 Ų | 98 | 67% | 0.674 | 48% | 0.478 | S | S | * | . | S | Bend | trans | -69.9 | -28 | 173.3 | -69.3 | -4.2 | 0 | 0 | 0 | 111.9 | T61 H62 | N44-T61 VanDerWaalsContact OD1-CG2 3.29Å; N44-T61 WeakPolarHBondContact OD1-CG2 3.2Å; N44-H62 PolarHBondContact O-CD2 3.45Å |
| 45 | Q | 88.9 | Confident | 88 | Confident | 162 Ų | 162 | 96.5 Ų | 96.5 | 76% | 0.757 | 47% | 0.469 | S | S | * | . | S | Bend | trans | -145.5 | 137.6 | 175.1 | -165 | 168.3 | 17.1 | 0 | 0 | 108.2 | K43 | K43-Q45 VanDerWaalsContact C-N 3.25Å; K43-Q45 VanDerWaalsContact CB-O 3.31Å; K43-Q45 WeakPolarHBondContact CB-O 3.41Å; K43-Q45 PolarHBondContact O-N 3.41Å |
| 46 | C | 89.4 | Confident | 87.8 | Confident | 28 Ų | 28 | 96.3 Ų | 96.3 | 19% | 0.189 | 47% | 0.467 | C | S | . | . | trans | -80.6 | 150.1 | 173.9 | -57.7 | 0 | 0 | 0 | 0 | 109.9 | E50 C64 | C46-E50 HydrophobicContact CB-CB 4.23Å; C46-C64 WeakPolarHBondContact CA-SG 3.29Å; C46-C64 HydrophobicContact CB-CB 3.73Å; C46-C64 WeakPolarHBondContact CB-SG 3.02Å; C46-C64 VanDerWaalsContact SG-CA 3.55Å; C46-C64 WeakPolarHBondContact SG-CB 3.32Å; C46-C64 CovalentContact SG-SG 2.03Å; C46-C64 PolarHBondContact SG-SG 3.11Å | ||
| 47 | H | 88.7 | Confident | 87.5 | Confident | 116 Ų | 116 | 89 Ų | 89 | 54% | 0.537 | 44% | 0.443 | S | S | . | . | trans | -75 | 162 | 174.6 | -161.4 | 38.2 | 0 | 0 | 0 | 110.7 | N49 E50 | H47-N49 WeakPolarHBondContact CB-OD1 3.31Å; H47-N49 PolarHBondContact CD2-OD1 3.24Å; H47-N49 PolarHBondContact O-N 3.04Å; H47-E50 HydrophobicContact CB-CG 4.22Å; H47-E50 PolarHBondContact N-OE2 3.07Å; H47-E50 VanDerWaalsContact N-OE2 3.13Å; H47-E50 PolarHBondContact O-N 3.22Å | ||
| 48 | E | 87.4 | Confident | 86.6 | Confident | 198 Ų | 198 | 90.4 Ų | 90.4 | 93% | 0.925 | 44% | 0.441 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -63 | -24.4 | -175.4 | -64.2 | -177.3 | 175.3 | 0 | 0 | 113.2 | ||
| 49 | N | 87.9 | Confident | 85.6 | Confident | 95 Ų | 95 | 94.5 Ų | 94.5 | 51% | 0.508 | 46% | 0.459 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -92.5 | 6 | 176.3 | 64.6 | -7.8 | 0 | 0 | 0 | 113.8 | H47 | H47-N49 WeakPolarHBondContact CB-OD1 3.31Å; H47-N49 PolarHBondContact CD2-OD1 3.24Å; H47-N49 PolarHBondContact O-N 3.04Å |
| 50 | E | 88.8 | Confident | 85.1 | Confident | 30 Ų | 30 | 89.5 Ų | 89.5 | 14% | 0.14 | 44% | 0.443 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.5 | 141.9 | 179.8 | -68.8 | 176.5 | 157.3 | 0 | 0 | 111.1 | K43 C46 H47 C64 L65 | K43-E50 IonicContact NZ-OE1 2.59Å; K43-E50 PolarHBondContact NZ-OE1 3.45Å; K43-E50 IonicContact NZ-OE2 2.75Å; K43-E50 PolarHBondContact NZ-OE2 3.37Å; C46-E50 HydrophobicContact CB-CB 4.23Å; H47-E50 HydrophobicContact CB-CG 4.22Å; H47-E50 PolarHBondContact N-OE2 3.07Å; H47-E50 VanDerWaalsContact N-OE2 3.13Å; H47-E50 PolarHBondContact O-N 3.22Å; E50-C64 HydrophobicContact CB-CB 4.13Å; E50-C64 WeakPolarHBondContact OE2-CB 3.37Å; E50-L65 CarbonylContact C-O 3.6Å; E50-L65 VanDerWaalsContact CA-O 3.27Å; E50-L65 WeakPolarHBondContact CA-O 3.45Å; E50-L65 WeakPolarHBondContact CB-O 3.42Å |
| 51 | I | 86.8 | Confident | 84.9 | Confident | 84 Ų | 84 | 90.1 Ų | 90.1 | 43% | 0.431 | 45% | 0.445 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.5 | 124.9 | 178.9 | -56.2 | 173.5 | 0 | 0 | 0 | 109.3 | I53 L65 Q67 | I51-I53 HydrophobicContact CG2-CG2 4.28Å; I51-L65 PolarHBondContact N-O 3.48Å; I51-L65 PolarHBondContact O-N 3.18Å; I51-Q67 HydrophobicContact CD1-CG 4.21Å |
| 52 | R | 85.3 | Confident | 84.9 | Confident | 129 Ų | 129 | 82.9 Ų | 82.9 | 49% | 0.487 | 42% | 0.419 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.6 | 113.5 | 172.3 | 177.7 | -178.5 | 159.9 | -169.8 | -4.5 | 110.2 | Y55 H62 | R52-Y55 PolarHBondContact NH2-OH 3.4Å; R52-H62 HydrophobicContact CG-CB 4.27Å; R52-H62 VanDerWaalsContact CZ-ND1 3.31Å; R52-H62 PolarHBondContact NE-ND1 3.32Å; R52-H62 VanDerWaalsContact NE-ND1 3.17Å; R52-H62 PolarHBondContact NH1-CE1 3.08Å; R52-H62 PolarHBondContact NH2-CE1 3.01Å; R52-H62 VanDerWaalsContact NH2-CE1 3.33Å |
| 53 | I | 83.3 | Confident | 84.9 | Confident | 99 Ų | 99 | 81 Ų | 81 | 51% | 0.508 | 41% | 0.406 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.5 | -36.1 | 179.4 | 47.7 | 149.8 | 0 | 0 | 0 | 114.5 | I51 C63 L65 | I51-I53 HydrophobicContact CG2-CG2 4.28Å; I53-C63 HydrophobicContact CD1-CB 4.39Å; I53-C63 HydrophobicContact CG1-CB 4.11Å; I53-C63 PolarHBondContact N-O 2.95Å; I53-L65 HydrophobicContact CB-CD1 4.19Å; I53-L65 HydrophobicContact CD1-CD1 3.52Å; I53-L65 HydrophobicContact CD1-CG 4.04Å; I53-L65 HydrophobicContact CG1-CD1 3.64Å; I53-L65 HydrophobicContact CG1-CG 4.06Å; I53-L65 HydrophobicContact CG2-CD1 3.52Å |
| 54 | A | 81.8 | Confident | 85 | Confident | 30 Ų | 30 | 77.9 Ų | 77.9 | 25% | 0.248 | 39% | 0.393 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -157.2 | 177.1 | -172.8 | 0 | 0 | 0 | 0 | 0 | 111.8 | L31 H62 C63 | L31-A54 HydrophobicContact CD1-CB 4.07Å; A54-H62 WeakPolarHBondContact O-CA 3.34Å; A54-C63 PolarHBondContact O-N 3.46Å |
| 55 | Y | 84.1 | Confident | 85.1 | Confident | 84 Ų | 84 | 73.7 Ų | 73.7 | 33% | 0.329 | 37% | 0.37 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.3 | 137.7 | 164.1 | -73.6 | -90.7 | 0 | 0 | 0 | 109.4 | L31 R52 R58 T61 H62 | L31-Y55 WeakPolarHBondContact CB-O 3.46Å; L31-Y55 WeakPolarHBondContact CD1-O 3Å; R52-Y55 PolarHBondContact NH2-OH 3.4Å; Y55-R58 HydrophobicContact CG-CG 4.38Å; Y55-T61 CarbonylContact C-O 3.51Å; Y55-T61 VanDerWaalsContact CA-O 3.29Å; Y55-T61 WeakPolarHBondContact CA-O 2.97Å; Y55-T61 WeakPolarHBondContact CD1-O 3.25Å; Y55-H62 AromaticContact CD1-CE1 3.72Å; Y55-H62 AromaticContact CD1-ND1 3.42Å; Y55-H62 WeakPolarHBondContact CD1-ND1 3.25Å; Y55-H62 AromaticContact CE1-CE1 3.04Å; Y55-H62 WeakPolarHBondContact CE1-CE1 3.21Å; Y55-H62 AromaticContact CE1-ND1 3.24Å; Y55-H62 WeakPolarHBondContact CE1-ND1 3.5Å; Y55-H62 AromaticContact CZ-CE1 3.46Å; Y55-H62 VanDerWaalsContact CZ-CE1 3.46Å; Y55-H62 AromaticContact CZ-ND1 3.77Å |
| 56 | C | 84.1 | Confident | 84.8 | Confident | 0 Ų | 0 | 73 Ų | 73 | 0% | 0 | 37% | 0.367 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -75.3 | -48.1 | 168.7 | -73.3 | 0 | 0 | 0 | 0 | 110.9 | D30 L31 R32 C35 C42 T61 | D30-C56 CarbonylContact C-O 3.47Å; D30-C56 VanDerWaalsContact CA-O 3.31Å; D30-C56 WeakPolarHBondContact CA-O 3.39Å; L31-C56 PolarHBondContact N-O 3.29Å; R32-C56 HydrophobicContact CG-CB 4.11Å; C35-C56 VanDerWaalsContact SG-SG 3.68Å; C42-C56 VanDerWaalsContact CA-SG 3.52Å; C42-C56 HydrophobicContact CB-CB 3.66Å; C42-C56 WeakPolarHBondContact CB-SG 3.4Å; C42-C56 WeakPolarHBondContact SG-CB 3.24Å; C42-C56 CovalentContact SG-SG 2.02Å; C42-C56 PolarHBondContact SG-SG 2.99Å; C56-T61 WeakPolarHBondContact CB-OG1 3.36Å; C56-T61 PolarHBondContact N-O 3.01Å |
| 57 | I | 82.9 | Confident | 83.6 | Confident | 54 Ų | 54 | 81.8 Ų | 81.8 | 28% | 0.277 | 41% | 0.405 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -140.2 | 123.3 | 174.5 | -59 | 172.9 | 0 | 0 | 0 | 107.5 | G60 T61 | I57-G60 PolarHBondContact O-N 3.27Å; I57-T61 PolarHBondContact N-OG1 3.37Å; I57-T61 PolarHBondContact O-N 2.98Å; I57-T61 VanDerWaalsContact O-N 3.1Å |
| 58 | R | 72.2 | Confident | 83.4 | Confident | 172 Ų | 172 | 80.1 Ų | 80.1 | 65% | 0.649 | 40% | 0.399 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -72.8 | 141.3 | 173.6 | -90 | -167 | -166.9 | -171.4 | 5.7 | 111.5 | Y55 | Y55-R58 HydrophobicContact CG-CG 4.38Š|
| 59 | P | 64.9 | Low | 83.2 | Confident | 129 Ų | 129 | 73.9 Ų | 73.9 | 84% | 0.838 | 37% | 0.371 | S | S | * | . | T | Hydrogen-bonded Turn | cis | -97.4 | 33.6 | -10.3 | 38.9 | -33.4 | 0 | 0 | 0 | 112.3 | ||
| 60 | G | 79.3 | Confident | 82.9 | Confident | 44 Ų | 44 | 72.7 Ų | 72.7 | 45% | 0.454 | 36% | 0.363 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -100.3 | -52.6 | -165 | 0 | 0 | 0 | 0 | 0 | 115.6 | I57 | I57-G60 PolarHBondContact O-N 3.27Š|
| 61 | T | 87.1 | Confident | 82.5 | Confident | 23 Ų | 23 | 75.2 Ų | 75.2 | 14% | 0.141 | 38% | 0.377 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.2 | 143 | -166.4 | 49 | 0 | 0 | 0 | 0 | 112.6 | K43 N44 Y55 C56 I57 | K43-T61 CarbonylContact O-C 3.51Å; N44-T61 VanDerWaalsContact OD1-CG2 3.29Å; N44-T61 WeakPolarHBondContact OD1-CG2 3.2Å; Y55-T61 CarbonylContact C-O 3.51Å; Y55-T61 VanDerWaalsContact CA-O 3.29Å; Y55-T61 WeakPolarHBondContact CA-O 2.97Å; Y55-T61 WeakPolarHBondContact CD1-O 3.25Å; C56-T61 WeakPolarHBondContact CB-OG1 3.36Å; C56-T61 PolarHBondContact N-O 3.01Å; I57-T61 PolarHBondContact N-OG1 3.37Å; I57-T61 PolarHBondContact O-N 2.98Å; I57-T61 VanDerWaalsContact O-N 3.1Å |
| 62 | H | 89.8 | Confident | 82.3 | Confident | 30 Ų | 30 | 74.7 Ų | 74.7 | 14% | 0.139 | 37% | 0.373 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.3 | 147.2 | 174 | -57.9 | -59.7 | 0 | 0 | 0 | 111 | C42 K43 N44 R52 A54 Y55 | C42-H62 CarbonylContact C-O 3.52Å; C42-H62 VanDerWaalsContact CA-O 3.22Å; C42-H62 WeakPolarHBondContact CA-O 3.48Å; K43-H62 PolarHBondContact N-O 2.99Å; K43-H62 PolarHBondContact O-N 3.35Å; N44-H62 PolarHBondContact O-CD2 3.45Å; R52-H62 HydrophobicContact CG-CB 4.27Å; R52-H62 VanDerWaalsContact CZ-ND1 3.31Å; R52-H62 PolarHBondContact NE-ND1 3.32Å; R52-H62 VanDerWaalsContact NE-ND1 3.17Å; R52-H62 PolarHBondContact NH1-CE1 3.08Å; R52-H62 PolarHBondContact NH2-CE1 3.01Å; R52-H62 VanDerWaalsContact NH2-CE1 3.33Å; A54-H62 WeakPolarHBondContact O-CA 3.34Å; Y55-H62 AromaticContact CD1-CE1 3.72Å; Y55-H62 AromaticContact CD1-ND1 3.42Å; Y55-H62 WeakPolarHBondContact CD1-ND1 3.25Å; Y55-H62 AromaticContact CE1-CE1 3.04Å; Y55-H62 WeakPolarHBondContact CE1-CE1 3.21Å; Y55-H62 AromaticContact CE1-ND1 3.24Å; Y55-H62 WeakPolarHBondContact CE1-ND1 3.5Å; Y55-H62 AromaticContact CZ-CE1 3.46Å; Y55-H62 VanDerWaalsContact CZ-CE1 3.46Å; Y55-H62 AromaticContact CZ-ND1 3.77Å |
| 63 | C | 90.4 | Very high | 82.1 | Confident | 1 Ų | 1 | 71.1 Ų | 71.1 | 1% | 0.007 | 37% | 0.366 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -87 | 120.2 | 166 | -177.6 | 0 | 0 | 0 | 0 | 109.6 | C35 I53 A54 | C35-C63 WeakPolarHBondContact CA-SG 3.26Å; C35-C63 HydrophobicContact CB-CB 3.73Å; C35-C63 WeakPolarHBondContact CB-SG 3.33Å; C35-C63 VanDerWaalsContact SG-CA 3.53Å; C35-C63 WeakPolarHBondContact SG-CB 3.5Å; C35-C63 CovalentContact SG-SG 2.02Å; C35-C63 PolarHBondContact SG-SG 3.45Å; I53-C63 HydrophobicContact CD1-CB 4.39Å; I53-C63 HydrophobicContact CG1-CB 4.11Å; I53-C63 PolarHBondContact N-O 2.95Å; A54-C63 PolarHBondContact O-N 3.46Å |
| 64 | C | 92.8 | Very high | 82 | Confident | 2 Ų | 2 | 69.1 Ų | 69.1 | 1% | 0.014 | 36% | 0.355 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.4 | 123.6 | -179.1 | -48.4 | 0 | 0 | 0 | 0 | 109.3 | G40 R41 K43 C46 E50 | G40-C64 CarbonylContact C-O 3.5Å; G40-C64 WeakPolarHBondContact CA-O 3.23Å; R41-C64 PolarHBondContact N-O 3.38Å; R41-C64 PolarHBondContact O-N 3.21Å; K43-C64 HydrophobicContact CD-CB 4.47Å; C46-C64 WeakPolarHBondContact CA-SG 3.29Å; C46-C64 HydrophobicContact CB-CB 3.73Å; C46-C64 WeakPolarHBondContact CB-SG 3.02Å; C46-C64 VanDerWaalsContact SG-CA 3.55Å; C46-C64 WeakPolarHBondContact SG-CB 3.32Å; C46-C64 CovalentContact SG-SG 2.03Å; C46-C64 PolarHBondContact SG-SG 3.11Å; E50-C64 HydrophobicContact CB-CB 4.13Å; E50-C64 WeakPolarHBondContact OE2-CB 3.37Å |
| 65 | L | 90.3 | Very high | 82 | Confident | 38 Ų | 38 | 72.1 Ų | 72.1 | 20% | 0.199 | 36% | 0.364 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -101 | 135.4 | 175.9 | -71.5 | 165.9 | 0 | 0 | 0 | 109.6 | G38 E50 I51 I53 | G38-L65 WeakPolarHBondContact O-CD2 3.41Å; E50-L65 CarbonylContact C-O 3.6Å; E50-L65 VanDerWaalsContact CA-O 3.27Å; E50-L65 WeakPolarHBondContact CA-O 3.45Å; E50-L65 WeakPolarHBondContact CB-O 3.42Å; I51-L65 PolarHBondContact N-O 3.48Å; I51-L65 PolarHBondContact O-N 3.18Å; I53-L65 HydrophobicContact CB-CD1 4.19Å; I53-L65 HydrophobicContact CD1-CD1 3.52Å; I53-L65 HydrophobicContact CD1-CG 4.04Å; I53-L65 HydrophobicContact CG1-CD1 3.64Å; I53-L65 HydrophobicContact CG1-CG 4.06Å; I53-L65 HydrophobicContact CG2-CD1 3.52Å |
| 66 | Q | 83 | Confident | 81.8 | Confident | 147 Ų | 147 | 71.1 Ų | 71.1 | 69% | 0.687 | 37% | 0.367 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -79.6 | 129.4 | 168.9 | -161 | 165.2 | -8.6 | 0 | 0 | 107.6 | ||
| 67 | Q | 65.2 | Low | 81.6 | Confident | 213 Ų | 213 | 77.5 Ų | 77.5 | 100% | 0.995 | 40% | 0.4 | S | S | * | . | trans | -65.5 | 0 | -177.2 | -163.3 | 171.6 | 21 | 0 | 0 | 112.1 | I51 | I51-Q67 HydrophobicContact CD1-CG 4.21Š|
Retrieved 67 of 67 residues in 15.7 ms
(Link to these results)