| 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 | 49.2 | Very low | 72.5 | Confident | 205 Ų | 205 | 132.5 Ų | 132.5 | 100% | 1.01 | 61% | 0.612 | S | S | * | * | 0 | -53.7 | 0 | -122.2 | -178 | 147.4 | 0 | 0 | 112.7 | I3 F4 M5 | M1-I3 PolarHBondContact O-N 3.05Å; M1-F4 WeakPolarHBondContact O-CB 3.47Å; M1-F4 PolarHBondContact O-N 3.45Å; M1-M5 PolarHBondContact O-N 3.49Å | |||
| 2 | W | 53.6 | Low | 73 | Confident | 208 Ų | 208 | 128.3 Ų | 128.3 | 79% | 0.788 | 60% | 0.597 | S | S | * | * | H | α-helix | trans | -58.8 | -42 | -177.8 | -154.6 | 58.5 | 0 | 0 | 0 | 114.5 | F4 M5 N6 | W2-F4 VanDerWaalsContact C-N 3.29Å; W2-F4 PolarHBondContact O-N 3.13Å; W2-M5 PolarHBondContact O-N 3.14Å; W2-N6 PolarHBondContact O-N 3.45Å |
| 3 | I | 70.2 | Confident | 73.5 | Confident | 129 Ų | 129 | 124.9 Ų | 124.9 | 66% | 0.662 | 59% | 0.585 | S | S | * | * | H | α-helix | trans | -63 | -34.4 | 174.4 | -61.7 | 170.2 | 0 | 0 | 0 | 112 | M1 K7 | M1-I3 PolarHBondContact O-N 3.05Å; I3-K7 PolarHBondContact O-N 3.46Å |
| 4 | F | 74.3 | Confident | 73.6 | Confident | 159 Ų | 159 | 122.9 Ų | 122.9 | 70% | 0.697 | 58% | 0.579 | S | S | * | * | H | α-helix | trans | -73.3 | -38.5 | 178.6 | -153.1 | -88.4 | 0 | 0 | 0 | 111 | M1 W2 K7 L8 | M1-F4 WeakPolarHBondContact O-CB 3.47Å; M1-F4 PolarHBondContact O-N 3.45Å; W2-F4 VanDerWaalsContact C-N 3.29Å; W2-F4 PolarHBondContact O-N 3.13Å; F4-K7 PolarHBondContact O-N 2.78Å; F4-L8 WeakPolarHBondContact O-CB 3.44Å; F4-L8 PolarHBondContact O-N 3.08Å |
| 5 | M | 74 | Confident | 73.4 | Confident | 116 Ų | 116 | 121.5 Ų | 121.5 | 57% | 0.571 | 57% | 0.57 | S | S | * | * | H | α-helix | trans | -62.7 | -44.1 | 171.9 | -87.4 | -79.7 | 140.7 | 0 | 0 | 111.9 | M1 W2 K7 L8 L9 | M1-M5 PolarHBondContact O-N 3.49Å; W2-M5 PolarHBondContact O-N 3.14Å; M5-K7 PolarHBondContact O-N 3.38Å; M5-L8 HydrophobicContact CE-CD2 4.41Å; M5-L8 PolarHBondContact O-N 2.97Å; M5-L9 WeakPolarHBondContact O-CB 3.31Å; M5-L9 PolarHBondContact O-N 2.9Å |
| 6 | N | 70.9 | Confident | 73.4 | Confident | 73 Ų | 73 | 119.7 Ų | 119.7 | 39% | 0.39 | 56% | 0.564 | S | S | . | * | H | α-helix | trans | -64.7 | -39.9 | 175.5 | -87.7 | -7 | 0 | 0 | 0 | 112.5 | W2 L9 I10 | W2-N6 PolarHBondContact O-N 3.45Å; N6-L9 PolarHBondContact O-N 3.45Å; N6-I10 WeakPolarHBondContact O-CB 3.33Å; N6-I10 WeakPolarHBondContact O-CD1 3.3Å; N6-I10 WeakPolarHBondContact O-CG1 3.14Å; N6-I10 PolarHBondContact O-N 2.81Å |
| 7 | K | 78.8 | Confident | 73.3 | Confident | 148 Ų | 148 | 117.9 Ų | 117.9 | 64% | 0.643 | 56% | 0.558 | S | S | * | * | H | α-helix | trans | -65.4 | -39.3 | 174.3 | -78.9 | -173.1 | 175.7 | -174.9 | 0 | 112.5 | I3 F4 M5 W11 | I3-K7 PolarHBondContact O-N 3.46Å; F4-K7 PolarHBondContact O-N 2.78Å; M5-K7 PolarHBondContact O-N 3.38Å; K7-W11 VanDerWaalsContact O-CB 3.26Å; K7-W11 WeakPolarHBondContact O-CB 3.22Å; K7-W11 PolarHBondContact O-N 3.45Å |
| 8 | L | 82.9 | Confident | 73 | Confident | 74 Ų | 74 | 116.6 Ų | 116.6 | 39% | 0.387 | 55% | 0.554 | S | S | . | * | H | α-helix | trans | -66.4 | -41.4 | 176.2 | -163.3 | 87.3 | 0 | 0 | 0 | 111.2 | F4 M5 W11 L12 | F4-L8 WeakPolarHBondContact O-CB 3.44Å; F4-L8 PolarHBondContact O-N 3.08Å; M5-L8 HydrophobicContact CE-CD2 4.41Å; M5-L8 PolarHBondContact O-N 2.97Å; L8-W11 PolarHBondContact O-N 2.81Å; L8-L12 HydrophobicContact CD2-CD1 4.43Å; L8-L12 HydrophobicContact CG-CD1 4.36Å; L8-L12 WeakPolarHBondContact O-CB 3.13Å; L8-L12 PolarHBondContact O-N 3.36Å |
| 9 | L | 79.6 | Confident | 72.2 | Confident | 100 Ų | 100 | 115.1 Ų | 115.1 | 52% | 0.524 | 55% | 0.548 | S | S | . | . | H | α-helix | trans | -65.5 | -46 | 177.9 | -160.8 | 83.3 | 0 | 0 | 0 | 111.1 | M5 N6 W11 L12 I13 | M5-L9 WeakPolarHBondContact O-CB 3.31Å; M5-L9 PolarHBondContact O-N 2.9Å; N6-L9 PolarHBondContact O-N 3.45Å; L9-W11 VanDerWaalsContact C-N 3.32Å; L9-W11 PolarHBondContact O-N 2.95Å; L9-L12 PolarHBondContact O-N 3.43Å; L9-I13 HydrophobicContact CD2-CD1 4.25Å; L9-I13 HydrophobicContact CG-CD1 4.04Å; L9-I13 WeakPolarHBondContact O-CB 3.26Å; L9-I13 WeakPolarHBondContact O-CD1 3.4Å; L9-I13 WeakPolarHBondContact O-CG1 3.48Å; L9-I13 PolarHBondContact O-N 3.44Å |
| 10 | I | 81.1 | Confident | 71.2 | Confident | 99 Ų | 99 | 115.3 Ų | 115.3 | 51% | 0.508 | 55% | 0.55 | S | S | . | * | H | α-helix | trans | -61.5 | -41.2 | 175.1 | -68.1 | 164.5 | 0 | 0 | 0 | 110.7 | N6 I13 L14 | N6-I10 WeakPolarHBondContact O-CB 3.33Å; N6-I10 WeakPolarHBondContact O-CD1 3.3Å; N6-I10 WeakPolarHBondContact O-CG1 3.14Å; N6-I10 PolarHBondContact O-N 2.81Å; I10-I13 PolarHBondContact O-N 2.75Å; I10-L14 HydrophobicContact CG2-CD1 3.96Å; I10-L14 WeakPolarHBondContact O-CB 3.38Å; I10-L14 PolarHBondContact O-N 3.32Å |
| 11 | W | 82.5 | Confident | 70 | Confident | 146 Ų | 146 | 114.4 Ų | 114.4 | 55% | 0.553 | 55% | 0.548 | S | S | * | . | H | α-helix | trans | -67.4 | -37.9 | 177.2 | -174.3 | 78.9 | 0 | 0 | 0 | 113 | K7 L8 L9 K15 | K7-W11 VanDerWaalsContact O-CB 3.26Å; K7-W11 WeakPolarHBondContact O-CB 3.22Å; K7-W11 PolarHBondContact O-N 3.45Å; L8-W11 PolarHBondContact O-N 2.81Å; L9-W11 VanDerWaalsContact C-N 3.32Å; L9-W11 PolarHBondContact O-N 2.95Å; W11-K15 HydrophobicContact CE3-CD 4.48Å; W11-K15 HydrophobicContact CH2-CD 3.94Å; W11-K15 HydrophobicContact CZ2-CD 3.97Å; W11-K15 VanDerWaalsContact CZ2-CE 3.43Å; W11-K15 HydrophobicContact CZ3-CD 4.17Å; W11-K15 PolarHBondContact O-N 3.37Å |
| 12 | L | 79.4 | Confident | 70 | Confident | 82 Ų | 82 | 108.1 Ų | 108.1 | 43% | 0.429 | 52% | 0.521 | S | S | . | . | H | α-helix | trans | -66.4 | -44.4 | 173.2 | -102.1 | 151 | 0 | 0 | 0 | 111.6 | L8 L9 K15 I16 | L8-L12 HydrophobicContact CD2-CD1 4.43Å; L8-L12 HydrophobicContact CG-CD1 4.36Å; L8-L12 WeakPolarHBondContact O-CB 3.13Å; L8-L12 PolarHBondContact O-N 3.36Å; L9-L12 PolarHBondContact O-N 3.43Å; L12-K15 PolarHBondContact O-N 2.77Å; L12-I16 HydrophobicContact CD2-CD1 4.47Å; L12-I16 WeakPolarHBondContact O-CB 3.17Å; L12-I16 VanDerWaalsContact O-CG1 3.26Å; L12-I16 WeakPolarHBondContact O-CG1 3.36Å; L12-I16 PolarHBondContact O-N 3.44Å |
| 13 | I | 79.2 | Confident | 69.3 | Low | 85 Ų | 85 | 103.8 Ų | 103.8 | 44% | 0.436 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -61.8 | -45 | 176.2 | -69 | 164.7 | 0 | 0 | 0 | 109.9 | L9 I10 K15 I16 I17 | L9-I13 HydrophobicContact CD2-CD1 4.25Å; L9-I13 HydrophobicContact CG-CD1 4.04Å; L9-I13 WeakPolarHBondContact O-CB 3.26Å; L9-I13 WeakPolarHBondContact O-CD1 3.4Å; L9-I13 WeakPolarHBondContact O-CG1 3.48Å; L9-I13 PolarHBondContact O-N 3.44Å; I10-I13 PolarHBondContact O-N 2.75Å; I13-K15 PolarHBondContact O-N 2.58Å; I13-I16 PolarHBondContact O-N 3.44Å; I13-I17 HydrophobicContact CG2-CD1 3.67Å; I13-I17 HydrophobicContact CG2-CG1 4.32Å; I13-I17 WeakPolarHBondContact O-CB 3.36Å; I13-I17 VanDerWaalsContact O-CG1 3.23Å; I13-I17 WeakPolarHBondContact O-CG1 3.39Å; I13-I17 PolarHBondContact O-N 3.3Å |
| 14 | L | 75.4 | Confident | 67.9 | Low | 97 Ų | 97 | 100.7 Ų | 100.7 | 51% | 0.508 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -61.8 | -41 | 175 | -108.5 | 110.8 | 0 | 0 | 0 | 112.4 | I10 I17 I18 | I10-L14 HydrophobicContact CG2-CD1 3.96Å; I10-L14 WeakPolarHBondContact O-CB 3.38Å; I10-L14 PolarHBondContact O-N 3.32Å; L14-I17 PolarHBondContact O-N 3.44Å; L14-I18 WeakPolarHBondContact O-CB 3.18Å; L14-I18 WeakPolarHBondContact O-CD1 3.42Å; L14-I18 WeakPolarHBondContact O-CG1 3.4Å; L14-I18 PolarHBondContact O-N 3.43Å |
| 15 | K | 70.4 | Confident | 66.1 | Low | 101 Ų | 101 | 95.6 Ų | 95.6 | 44% | 0.439 | 48% | 0.482 | S | S | . | . | H | α-helix | trans | -66 | -39.2 | 175.4 | -97.1 | -170.4 | 171.4 | -175.9 | 0 | 112.4 | W11 L12 I13 I18 I19 | W11-K15 HydrophobicContact CE3-CD 4.48Å; W11-K15 HydrophobicContact CH2-CD 3.94Å; W11-K15 HydrophobicContact CZ2-CD 3.97Å; W11-K15 VanDerWaalsContact CZ2-CE 3.43Å; W11-K15 HydrophobicContact CZ3-CD 4.17Å; W11-K15 PolarHBondContact O-N 3.37Å; L12-K15 PolarHBondContact O-N 2.77Å; I13-K15 PolarHBondContact O-N 2.58Å; K15-I18 PolarHBondContact O-N 3.16Å; K15-I19 WeakPolarHBondContact O-CB 3.36Å; K15-I19 WeakPolarHBondContact O-CD1 3.3Å; K15-I19 WeakPolarHBondContact O-CG1 3.44Å; K15-I19 PolarHBondContact O-N 3.03Å |
| 16 | I | 72.6 | Confident | 64.3 | Low | 93 Ų | 93 | 94.4 Ų | 94.4 | 48% | 0.477 | 48% | 0.478 | S | S | . | . | H | α-helix | trans | -67.8 | -40.3 | 176.8 | -68.7 | 166 | 0 | 0 | 0 | 110.1 | L12 I13 I19 M20 | L12-I16 HydrophobicContact CD2-CD1 4.47Å; L12-I16 WeakPolarHBondContact O-CB 3.17Å; L12-I16 VanDerWaalsContact O-CG1 3.26Å; L12-I16 WeakPolarHBondContact O-CG1 3.36Å; L12-I16 PolarHBondContact O-N 3.44Å; I13-I16 PolarHBondContact O-N 3.44Å; I16-I19 PolarHBondContact O-N 3.49Å; I16-M20 HydrophobicContact CG2-CG 4.1Å; I16-M20 VanDerWaalsContact O-CB 3.23Å; I16-M20 WeakPolarHBondContact O-CB 3.32Å; I16-M20 WeakPolarHBondContact O-CG 3.46Å; I16-M20 PolarHBondContact O-N 3.43Å |
| 17 | I | 71.6 | Confident | 62.6 | Low | 89 Ų | 89 | 96.1 Ų | 96.1 | 46% | 0.456 | 49% | 0.486 | S | S | . | . | H | α-helix | trans | -62.7 | -45.1 | 174 | -68.2 | 166.8 | 0 | 0 | 0 | 110.3 | I13 L14 I19 M20 D21 | I13-I17 HydrophobicContact CG2-CD1 3.67Å; I13-I17 HydrophobicContact CG2-CG1 4.32Å; I13-I17 WeakPolarHBondContact O-CB 3.36Å; I13-I17 VanDerWaalsContact O-CG1 3.23Å; I13-I17 WeakPolarHBondContact O-CG1 3.39Å; I13-I17 PolarHBondContact O-N 3.3Å; L14-I17 PolarHBondContact O-N 3.44Å; I17-I19 PolarHBondContact O-N 3.46Å; I17-M20 CarbonylContact O-C 3.56Å; I17-M20 PolarHBondContact O-N 2.84Å; I17-D21 WeakPolarHBondContact O-CB 3.2Å; I17-D21 PolarHBondContact O-N 3.23Å |
| 18 | I | 67.6 | Low | 60.2 | Low | 95 Ų | 95 | 94.3 Ų | 94.3 | 49% | 0.487 | 48% | 0.48 | S | S | . | . | H | α-helix | trans | -64.3 | -40.5 | 176.5 | -67.7 | 163.6 | 0 | 0 | 0 | 111.3 | L14 K15 D21 V22 | L14-I18 WeakPolarHBondContact O-CB 3.18Å; L14-I18 WeakPolarHBondContact O-CD1 3.42Å; L14-I18 WeakPolarHBondContact O-CG1 3.4Å; L14-I18 PolarHBondContact O-N 3.43Å; K15-I18 PolarHBondContact O-N 3.16Å; I18-D21 PolarHBondContact O-N 3.4Å; I18-V22 HydrophobicContact CG2-CG2 4.46Å; I18-V22 WeakPolarHBondContact O-CB 3.46Å; I18-V22 WeakPolarHBondContact O-CG2 3.35Å; I18-V22 PolarHBondContact O-N 2.85Å |
| 19 | I | 58.9 | Low | 57.6 | Low | 88 Ų | 88 | 95.3 Ų | 95.3 | 45% | 0.451 | 49% | 0.486 | S | S | . | . | H | α-helix | trans | -67.7 | -41 | 176.4 | -69 | 164.8 | 0 | 0 | 0 | 110.1 | K15 I16 I17 D21 V22 F23 | K15-I19 WeakPolarHBondContact O-CB 3.36Å; K15-I19 WeakPolarHBondContact O-CD1 3.3Å; K15-I19 WeakPolarHBondContact O-CG1 3.44Å; K15-I19 PolarHBondContact O-N 3.03Å; I16-I19 PolarHBondContact O-N 3.49Å; I17-I19 PolarHBondContact O-N 3.46Å; I19-D21 VanDerWaalsContact C-N 3.33Å; I19-V22 PolarHBondContact O-N 3.46Å; I19-F23 HydrophobicContact CG2-CD2 3.69Å; I19-F23 HydrophobicContact CG2-CE2 3.97Å; I19-F23 WeakPolarHBondContact O-CB 3.25Å; I19-F23 WeakPolarHBondContact O-CD2 3.44Å; I19-F23 PolarHBondContact O-N 2.9Å |
| 20 | M | 52 | Low | 55.1 | Low | 119 Ų | 119 | 100 Ų | 100 | 59% | 0.586 | 50% | 0.498 | S | S | * | . | H | α-helix | trans | -66.7 | -32.6 | 174.8 | -72.1 | -96.6 | 85.8 | 0 | 0 | 111.8 | I16 I17 S24 | I16-M20 HydrophobicContact CG2-CG 4.1Å; I16-M20 VanDerWaalsContact O-CB 3.23Å; I16-M20 WeakPolarHBondContact O-CB 3.32Å; I16-M20 WeakPolarHBondContact O-CG 3.46Å; I16-M20 PolarHBondContact O-N 3.43Å; I17-M20 CarbonylContact O-C 3.56Å; I17-M20 PolarHBondContact O-N 2.84Å; M20-S24 WeakPolarHBondContact O-CA 2.73Å; M20-S24 WeakPolarHBondContact O-CB 3.47Å; M20-S24 PolarHBondContact O-N 2.87Å; M20-S24 PolarHBondContact O-OG 3.4Å; M20-S24 VanDerWaalsContact O-OG 3.12Å |
| 21 | D | 46.4 | Very low | 52.6 | Low | 96 Ų | 96 | 99.1 Ų | 99.1 | 51% | 0.513 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -73.9 | -32.6 | 172.9 | -82.6 | -21.7 | 0 | 0 | 0 | 112.1 | I17 I18 I19 S24 S25 | I17-D21 WeakPolarHBondContact O-CB 3.2Å; I17-D21 PolarHBondContact O-N 3.23Å; I18-D21 PolarHBondContact O-N 3.4Å; I19-D21 VanDerWaalsContact C-N 3.33Å; D21-S24 WeakPolarHBondContact CA-OG 3.16Å; D21-S24 PolarHBondContact O-OG 2.76Å; D21-S25 WeakPolarHBondContact O-CB 3.2Å; D21-S25 PolarHBondContact O-N 3.12Å; D21-S25 PolarHBondContact O-OG 2.92Å |
| 22 | V | 49.5 | Very low | 49.8 | Very low | 73 Ų | 73 | 94 Ų | 94 | 44% | 0.442 | 48% | 0.481 | S | S | . | . | H | α-helix | trans | -74.1 | -36.1 | 172.9 | 173 | 0 | 0 | 0 | 0 | 111 | I18 I19 S25 N26 | I18-V22 HydrophobicContact CG2-CG2 4.46Å; I18-V22 WeakPolarHBondContact O-CB 3.46Å; I18-V22 WeakPolarHBondContact O-CG2 3.35Å; I18-V22 PolarHBondContact O-N 2.85Å; I19-V22 PolarHBondContact O-N 3.46Å; V22-S25 WeakPolarHBondContact CA-OG 3.49Å; V22-S25 PolarHBondContact O-OG 3Å; V22-S25 VanDerWaalsContact O-OG 3.13Å; V22-N26 WeakPolarHBondContact O-CB 3.4Å; V22-N26 PolarHBondContact O-N 3.28Å; V22-N26 PolarHBondContact O-ND2 2.85Å |
| 23 | F | 37.2 | Very low | 47.3 | Very low | 118 Ų | 118 | 95.8 Ų | 95.8 | 52% | 0.518 | 49% | 0.491 | S | S | . | . | H | α-helix | trans | -76.8 | -37.5 | 174.6 | -91.3 | -84.3 | 0 | 0 | 0 | 112.2 | I19 N26 I27 | I19-F23 HydrophobicContact CG2-CD2 3.69Å; I19-F23 HydrophobicContact CG2-CE2 3.97Å; I19-F23 WeakPolarHBondContact O-CB 3.25Å; I19-F23 WeakPolarHBondContact O-CD2 3.44Å; I19-F23 PolarHBondContact O-N 2.9Å; F23-N26 PolarHBondContact O-N 3.39Å; F23-I27 WeakPolarHBondContact O-CB 3.42Å; F23-I27 VanDerWaalsContact O-CG1 3.3Å; F23-I27 WeakPolarHBondContact O-CG1 3.04Å; F23-I27 PolarHBondContact O-N 3.37Å |
| 24 | S | 41 | Very low | 44.7 | Very low | 63 Ų | 63 | 98.8 Ų | 98.8 | 44% | 0.441 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -67.2 | -43 | 173.3 | 78 | 0 | 0 | 0 | 0 | 109.6 | M20 D21 N26 I27 H28 | M20-S24 WeakPolarHBondContact O-CA 2.73Å; M20-S24 WeakPolarHBondContact O-CB 3.47Å; M20-S24 PolarHBondContact O-N 2.87Å; M20-S24 PolarHBondContact O-OG 3.4Å; M20-S24 VanDerWaalsContact O-OG 3.12Å; D21-S24 WeakPolarHBondContact CA-OG 3.16Å; D21-S24 PolarHBondContact O-OG 2.76Å; S24-N26 PolarHBondContact O-N 3.41Å; S24-I27 PolarHBondContact O-N 3.36Å; S24-H28 WeakPolarHBondContact O-CB 3.43Å; S24-H28 PolarHBondContact O-N 3.44Å |
| 25 | S | 38.1 | Very low | 42.3 | Very low | 53 Ų | 53 | 99.7 Ų | 99.7 | 37% | 0.371 | 52% | 0.52 | S | S | . | . | H | α-helix | trans | -67 | -31.5 | 174.8 | 60.5 | 0 | 0 | 0 | 0 | 113.4 | D21 V22 N29 | D21-S25 WeakPolarHBondContact O-CB 3.2Å; D21-S25 PolarHBondContact O-N 3.12Å; D21-S25 PolarHBondContact O-OG 2.92Å; V22-S25 WeakPolarHBondContact CA-OG 3.49Å; V22-S25 PolarHBondContact O-OG 3Å; V22-S25 VanDerWaalsContact O-OG 3.13Å; S25-N29 WeakPolarHBondContact O-CB 3.09Å; S25-N29 PolarHBondContact O-N 3.27Å; S25-N29 PolarHBondContact O-ND2 2.78Å |
| 26 | N | 34.4 | Very low | 40.1 | Very low | 91 Ų | 91 | 101.3 Ų | 101.3 | 49% | 0.487 | 53% | 0.527 | S | S | . | . | H | α-helix | trans | -75.5 | -33.2 | 173.9 | -81.2 | -30.1 | 0 | 0 | 0 | 113.4 | V22 F23 S24 Y30 | V22-N26 WeakPolarHBondContact O-CB 3.4Å; V22-N26 PolarHBondContact O-N 3.28Å; V22-N26 PolarHBondContact O-ND2 2.85Å; F23-N26 PolarHBondContact O-N 3.39Å; S24-N26 PolarHBondContact O-N 3.41Å; N26-Y30 PolarHBondContact O-N 2.85Å |
| 27 | I | 35.5 | Very low | 37.9 | Very low | 108 Ų | 108 | 101.2 Ų | 101.2 | 55% | 0.554 | 53% | 0.527 | S | S | * | . | H | α-helix | trans | -80.2 | -33.6 | 175.9 | -66.4 | 167.4 | 0 | 0 | 0 | 111.1 | F23 S24 N29 Y30 T31 | F23-I27 WeakPolarHBondContact O-CB 3.42Å; F23-I27 VanDerWaalsContact O-CG1 3.3Å; F23-I27 WeakPolarHBondContact O-CG1 3.04Å; F23-I27 PolarHBondContact O-N 3.37Å; S24-I27 PolarHBondContact O-N 3.36Å; I27-N29 VanDerWaalsContact C-N 3.32Å; I27-Y30 PolarHBondContact O-N 3.1Å; I27-T31 PolarHBondContact O-N 3.15Å; I27-T31 VanDerWaalsContact O-N 3.13Å; I27-T31 PolarHBondContact O-OG1 2.68Å |
| 28 | H | 28.9 | Very low | 35.7 | Very low | 111 Ų | 111 | 105 Ų | 105 | 51% | 0.514 | 54% | 0.54 | S | S | . | . | H | α-helix | trans | -70.7 | -25.8 | 170.1 | -116.3 | 22.9 | 0 | 0 | 0 | 112.6 | S24 N32 | S24-H28 WeakPolarHBondContact O-CB 3.43Å; S24-H28 PolarHBondContact O-N 3.44Å; H28-N32 PolarHBondContact CD2-ND2 3.28Å; H28-N32 PolarHBondContact NE2-ND2 3.37Å; H28-N32 WeakPolarHBondContact O-CB 3.46Å; H28-N32 PolarHBondContact O-N 3.13Å; H28-N32 PolarHBondContact O-ND2 3.23Å; H28-N32 VanDerWaalsContact O-ND2 3.12Å |
| 29 | N | 28.4 | Very low | 33.9 | Very low | 95 Ų | 95 | 108.3 Ų | 108.3 | 51% | 0.508 | 55% | 0.553 | S | S | . | * | H | α-helix | trans | -74.1 | -26.3 | 172 | -83.4 | -21 | 0 | 0 | 0 | 113.1 | S25 I27 N33 | S25-N29 WeakPolarHBondContact O-CB 3.09Å; S25-N29 PolarHBondContact O-N 3.27Å; S25-N29 PolarHBondContact O-ND2 2.78Å; I27-N29 VanDerWaalsContact C-N 3.32Å; N29-N33 PolarHBondContact O-ND2 3.48Å |
| 30 | Y | 26.8 | Very low | 32.5 | Very low | 198 Ų | 198 | 107 Ų | 107 | 78% | 0.776 | 55% | 0.546 | S | S | * | . | H | α-helix | trans | -83.7 | -32.2 | 174.7 | -97.3 | -85.7 | 0 | 0 | 0 | 113.5 | N26 I27 | N26-Y30 PolarHBondContact O-N 2.85Å; I27-Y30 PolarHBondContact O-N 3.1Å |
| 31 | T | 27.9 | Very low | 31.5 | Very low | 81 Ų | 81 | 109.7 Ų | 109.7 | 50% | 0.497 | 56% | 0.558 | S | S | . | * | H | α-helix | trans | -91 | -32.9 | -179.7 | 47.2 | 0 | 0 | 0 | 0 | 113.8 | I27 N33 L34 | I27-T31 PolarHBondContact O-N 3.15Å; I27-T31 VanDerWaalsContact O-N 3.13Å; I27-T31 PolarHBondContact O-OG1 2.68Å; T31-N33 VanDerWaalsContact C-N 3.28Å; T31-N33 PolarHBondContact O-N 2.87Å; T31-L34 PolarHBondContact O-N 3.08Å |
| 32 | N | 24.7 | Very low | 31.1 | Very low | 39 Ų | 39 | 106.6 Ų | 106.6 | 21% | 0.209 | 54% | 0.541 | C | S | . | . | H | α-helix | trans | -74.7 | -12.1 | 175.6 | -76.8 | -56.9 | 0 | 0 | 0 | 114.4 | H28 L34 K36 | H28-N32 PolarHBondContact CD2-ND2 3.28Å; H28-N32 PolarHBondContact NE2-ND2 3.37Å; H28-N32 WeakPolarHBondContact O-CB 3.46Å; H28-N32 PolarHBondContact O-N 3.13Å; H28-N32 PolarHBondContact O-ND2 3.23Å; H28-N32 VanDerWaalsContact O-ND2 3.12Å; N32-L34 PolarHBondContact O-N 3.35Å; N32-K36 HydrophobicContact CB-CD 4.37Å; N32-K36 PolarHBondContact O-N 3.38Å |
| 33 | N | 26.4 | Very low | 30.2 | Very low | 118 Ų | 118 | 108.2 Ų | 108.2 | 63% | 0.631 | 55% | 0.553 | S | S | * | * | H | α-helix | trans | -72.6 | -12.5 | 174.8 | -88.1 | -22.9 | 0 | 0 | 0 | 113.7 | N29 T31 | N29-N33 PolarHBondContact O-ND2 3.48Å; T31-N33 VanDerWaalsContact C-N 3.28Å; T31-N33 PolarHBondContact O-N 2.87Å |
| 34 | L | 25.8 | Very low | 30.1 | Very low | 149 Ų | 149 | 108 Ų | 108 | 78% | 0.78 | 56% | 0.561 | S | S | * | * | H | α-helix | trans | -97.8 | -32.5 | 174.4 | -89.1 | 134.7 | 0 | 0 | 0 | 113.7 | T31 N32 | T31-L34 PolarHBondContact O-N 3.08Å; N32-L34 PolarHBondContact O-N 3.35Å |
| 35 | C | 25.2 | Very low | 29.7 | Very low | 115 Ų | 115 | 111.3 Ų | 111.3 | 78% | 0.777 | 57% | 0.574 | S | S | * | * | H | α-helix | trans | -108.2 | -3.8 | -175.8 | -77.6 | 0 | 0 | 0 | 0 | 115.8 | ||
| 36 | K | 22.9 | Very low | 29.7 | Very low | 135 Ų | 135 | 118 Ų | 118 | 59% | 0.587 | 60% | 0.596 | S | S | * | * | trans | -105.6 | 69.1 | 166.1 | -71.1 | -179.5 | -178.1 | 169 | 0 | 110.6 | N32 K38 | N32-K36 HydrophobicContact CB-CD 4.37Å; N32-K36 PolarHBondContact O-N 3.38Å; K36-K38 PolarHBondContact O-N 2.88Å | ||
| 37 | I | 26.7 | Very low | 29.9 | Very low | 92 Ų | 92 | 120 Ų | 120 | 47% | 0.472 | 61% | 0.607 | S | S | . | * | trans | -67.3 | 82.5 | 133.9 | -56.9 | 176 | 0 | 0 | 0 | 103.7 | Q39 | I37-Q39 PolarHBondContact O-N 3.39Š| ||
| 38 | K | 25.8 | Very low | 30.3 | Very low | 169 Ų | 169 | 119.8 Ų | 119.8 | 74% | 0.735 | 62% | 0.615 | S | S | * | * | trans | -44.8 | 120.6 | 155.9 | -87.9 | -178.3 | 172.4 | -178.8 | 0 | 103.8 | K36 L40 | K36-K38 PolarHBondContact O-N 2.88Å; K38-L40 PolarHBondContact O-N 2.93Å | ||
| 39 | Q | 28.4 | Very low | 31.5 | Very low | 163 Ų | 163 | 117.7 Ų | 117.7 | 76% | 0.762 | 61% | 0.612 | S | S | * | * | trans | -37.4 | 118.5 | 160.5 | -82.9 | 177.5 | -22.4 | 0 | 0 | 104.8 | I37 Q41 | I37-Q39 PolarHBondContact O-N 3.39Å; Q39-Q41 PolarHBondContact O-N 2.8Å | ||
| 40 | L | 31.3 | Very low | 33.9 | Very low | 60 Ų | 60 | 115.5 Ų | 115.5 | 31% | 0.314 | 60% | 0.601 | S | S | . | * | trans | -62.5 | 94.2 | 170.6 | -133.3 | 129.2 | 0 | 0 | 0 | 102 | K38 I42 K72 K229 | K38-L40 PolarHBondContact O-N 2.93Å; L40-I42 HydrophobicContact CB-CG1 4.16Å; L40-I42 HydrophobicContact CD2-CD1 4.28Å; L40-I42 HydrophobicContact CD2-CG1 3.45Å; L40-I42 VanDerWaalsContact CD2-CG1 3.45Å; L40-I42 HydrophobicContact CG-CG1 4.42Å; L40-I42 PolarHBondContact O-N 3.28Å; L40-K72 HydrophobicContact CD1-CD 3.98Å; L40-K229 HydrophobicContact CD1-CD 4.45Å; L40-K229 HydrophobicContact CD2-CD 4.49Å | ||
| 41 | Q | 30.9 | Very low | 36.7 | Very low | 176 Ų | 176 | 106.3 Ų | 106.3 | 82% | 0.822 | 57% | 0.565 | S | S | * | * | trans | -65.5 | 76.4 | 160.3 | -81.2 | -176.6 | -23.9 | 0 | 0 | 103.5 | Q39 P43 | Q39-Q41 PolarHBondContact O-N 2.8Å; Q41-P43 VanDerWaalsContact O-CD 3.3Å; Q41-P43 WeakPolarHBondContact O-CD 3.38Å | ||
| 42 | I | 36.5 | Very low | 39.7 | Very low | 31 Ų | 31 | 102.4 Ų | 102.4 | 16% | 0.159 | 54% | 0.542 | C | S | . | . | trans | -56.2 | 119.9 | 161 | -64.2 | 159.8 | 0 | 0 | 0 | 102.2 | L40 V44 F74 I227 F234 | L40-I42 HydrophobicContact CB-CG1 4.16Å; L40-I42 HydrophobicContact CD2-CD1 4.28Å; L40-I42 HydrophobicContact CD2-CG1 3.45Å; L40-I42 VanDerWaalsContact CD2-CG1 3.45Å; L40-I42 HydrophobicContact CG-CG1 4.42Å; L40-I42 PolarHBondContact O-N 3.28Å; I42-V44 PolarHBondContact O-N 2.9Å; I42-F74 HydrophobicContact CD1-CD1 3.72Å; I42-F74 HydrophobicContact CD1-CE1 3.9Å; I42-F74 HydrophobicContact CD1-CG 4.12Å; I42-F74 HydrophobicContact CD1-CZ 4.44Å; I42-I227 HydrophobicContact CB-CD1 4.45Å; I42-I227 HydrophobicContact CD1-CD1 3.68Å; I42-I227 HydrophobicContact CG1-CD1 4.1Å; I42-I227 HydrophobicContact CG2-CD1 3.56Å; I42-F234 HydrophobicContact CG2-CZ 4.24Å | ||
| 43 | P | 30.8 | Very low | 42.9 | Very low | 107 Ų | 107 | 101.2 Ų | 101.2 | 70% | 0.695 | 54% | 0.535 | S | S | * | . | trans | -60.8 | 94.8 | 166.8 | 24.7 | -29.4 | 0 | 0 | 0 | 105.7 | Q41 N45 | Q41-P43 VanDerWaalsContact O-CD 3.3Å; Q41-P43 WeakPolarHBondContact O-CD 3.38Å; P43-N45 PolarHBondContact O-N 2.81Å | ||
| 44 | V | 34.6 | Very low | 46 | Very low | 113 Ų | 113 | 95.6 Ų | 95.6 | 69% | 0.685 | 51% | 0.505 | S | S | * | . | trans | -69.7 | 86.5 | 167.5 | -178.7 | 0 | 0 | 0 | 0 | 103.8 | I42 K46 | I42-V44 PolarHBondContact O-N 2.9Å; V44-K46 VanDerWaalsContact C-N 3.28Å; V44-K46 PolarHBondContact O-N 3.04Å | ||
| 45 | N | 33.1 | Very low | 48.9 | Very low | 134 Ų | 134 | 91.6 Ų | 91.6 | 72% | 0.717 | 49% | 0.485 | S | S | * | . | trans | -55.7 | 106.1 | 157.8 | -118.8 | -2.3 | 0 | 0 | 0 | 104.5 | P43 D47 | P43-N45 PolarHBondContact O-N 2.81Å; N45-D47 PolarHBondContact O-N 2.75Å | ||
| 46 | K | 39 | Very low | 51.8 | Low | 194 Ų | 194 | 87 Ų | 87 | 84% | 0.843 | 46% | 0.456 | S | S | * | . | S | Bend | trans | -59.4 | -14.2 | 177.9 | -85.8 | -176.8 | 173 | -179.8 | 0 | 112 | V44 | V44-K46 VanDerWaalsContact C-N 3.28Å; V44-K46 PolarHBondContact O-N 3.04Å |
| 47 | D | 39.3 | Very low | 54.8 | Low | 133 Ų | 133 | 88.3 Ų | 88.3 | 71% | 0.711 | 46% | 0.464 | S | S | * | . | S | Bend | trans | -91.7 | 104.7 | 175.4 | -66.8 | -35.3 | 0 | 0 | 0 | 111 | N45 | N45-D47 PolarHBondContact O-N 2.75Š|
| 48 | S | 43.2 | Very low | 57.6 | Low | 102 Ų | 102 | 86.5 Ų | 86.5 | 71% | 0.713 | 46% | 0.456 | S | S | * | . | trans | 93.3 | 57.5 | 168.3 | 74.9 | 0 | 0 | 0 | 0 | 119.6 | N50 | S48-N50 PolarHBondContact O-N 3.37Å; S48-N50 VanDerWaalsContact O-N 3.14Å | ||
| 49 | S | 54 | Low | 60.6 | Low | 67 Ų | 67 | 81.7 Ų | 81.7 | 47% | 0.469 | 44% | 0.436 | S | S | . | . | trans | -74.5 | 95.2 | 161.9 | 58 | 0 | 0 | 0 | 0 | 111 | ||||
| 50 | N | 77.9 | Confident | 63.6 | Low | 50 Ų | 50 | 74 Ų | 74 | 27% | 0.267 | 40% | 0.4 | S | S | . | . | trans | -65.1 | 133.9 | 166.1 | -70.6 | -20.8 | 0 | 0 | 0 | 109.2 | S48 L238 | S48-N50 PolarHBondContact O-N 3.37Å; S48-N50 VanDerWaalsContact O-N 3.14Å; N50-L238 HydrophobicContact CB-CB 4.09Å; N50-L238 PolarHBondContact ND2-O 3.23Å; N50-L238 WeakPolarHBondContact O-CD1 3.25Å | ||
| 51 | V | 87.2 | Confident | 66.5 | Low | 4 Ų | 4 | 71.1 Ų | 71.1 | 2% | 0.024 | 39% | 0.385 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106 | 131.5 | 174.7 | -178 | 0 | 0 | 0 | 0 | 108.3 | N53 W154 C222 F223 Q224 N255 Q256 C259 | V51-N53 WeakPolarHBondContact CG1-OD1 3.19Å; V51-W154 HydrophobicContact CG1-CH2 4.08Å; V51-W154 HydrophobicContact CG1-CZ2 4.45Å; V51-C222 HydrophobicContact CG1-CB 3.8Å; V51-F223 CarbonylContact C-O 3.57Å; V51-F223 WeakPolarHBondContact CA-O 3.48Å; V51-Q224 HydrophobicContact CG2-CB 4.3Å; V51-N255 CarbonylContact O-C 3.59Å; V51-N255 WeakPolarHBondContact O-CA 3.3Å; V51-Q256 WeakPolarHBondContact CA-O 3.11Å; V51-Q256 WeakPolarHBondContact CB-O 3.35Å; V51-Q256 PolarHBondContact N-O 3.29Å; V51-Q256 PolarHBondContact O-N 3.25Å; V51-C259 HydrophobicContact CG1-CB 4.22Å |
| 52 | L | 90.7 | Very high | 69.4 | Low | 0 Ų | 0 | 62.7 Ų | 62.7 | 0% | 0 | 35% | 0.346 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.5 | 108.4 | 173.2 | 173.7 | 74.9 | 0 | 0 | 0 | 110 | L54 A60 L194 C222 F223 I226 L238 L250 P251 S254 | L52-L54 HydrophobicContact CD1-CD2 4.1Å; L52-L54 HydrophobicContact CD2-CD1 4.37Å; L52-L54 HydrophobicContact CD2-CD2 4.2Å; L52-L54 HydrophobicContact CD2-CG 4.32Å; L52-L54 HydrophobicContact CG-CD2 3.98Å; L52-L54 HydrophobicContact CG-CG 4.19Å; L52-A60 HydrophobicContact CD1-CB 4.27Å; L52-A60 HydrophobicContact CD2-CB 3.65Å; L52-L194 HydrophobicContact CD2-CD1 4.11Å; L52-C222 CarbonylContact O-C 3.58Å; L52-C222 WeakPolarHBondContact O-CA 3.45Å; L52-F223 HydrophobicContact CB-CB 4.17Å; L52-F223 HydrophobicContact CD2-CB 4.26Å; L52-F223 HydrophobicContact CD2-CD2 4.26Å; L52-F223 PolarHBondContact N-O 3.39Å; L52-F223 PolarHBondContact O-N 3.4Å; L52-I226 HydrophobicContact CD2-CD1 4.18Å; L52-L238 HydrophobicContact CB-CD1 4.21Å; L52-L238 HydrophobicContact CB-CD2 3.75Å; L52-L238 HydrophobicContact CD2-CD2 4.45Å; L52-L238 HydrophobicContact CG-CD2 4.46Å; L52-L250 HydrophobicContact CD1-CD2 4.18Å; L52-P251 HydrophobicContact CD1-CG 4.49Å; L52-S254 WeakPolarHBondContact CA-O 3.09Å; L52-S254 VanDerWaalsContact CD1-CB 3.5Å; L52-S254 WeakPolarHBondContact CD1-OG 3.42Å |
| 53 | N | 90.5 | Very high | 72 | Confident | 14 Ų | 14 | 63.5 Ų | 63.5 | 8% | 0.075 | 35% | 0.349 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -90 | 122.2 | 176.5 | -69.6 | -6 | 0 | 0 | 0 | 110.9 | V51 C222 S254 Q256 T258 D260 L263 | V51-N53 WeakPolarHBondContact CG1-OD1 3.19Å; N53-C222 PolarHBondContact OD1-SG 3.01Å; N53-S254 PolarHBondContact N-O 2.79Å; N53-S254 WeakPolarHBondContact O-CB 3.31Å; N53-Q256 PolarHBondContact ND2-OE1 2.83Å; N53-T258 PolarHBondContact ND2-O 3.47Å; N53-D260 PolarHBondContact ND2-N 2.83Å; N53-L263 HydrophobicContact CB-CD1 3.76Å |
| 54 | L | 91.4 | Very high | 74.9 | Confident | 0 Ų | 0 | 59.1 Ų | 59.1 | 0% | 0 | 32% | 0.319 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117 | 132.1 | 175.4 | -57.2 | -175.3 | 0 | 0 | 0 | 110 | L52 L194 F219 R220 G221 F223 P251 | L52-L54 HydrophobicContact CD1-CD2 4.1Å; L52-L54 HydrophobicContact CD2-CD1 4.37Å; L52-L54 HydrophobicContact CD2-CD2 4.2Å; L52-L54 HydrophobicContact CD2-CG 4.32Å; L52-L54 HydrophobicContact CG-CD2 3.98Å; L52-L54 HydrophobicContact CG-CG 4.19Å; L54-L194 HydrophobicContact CD1-CB 4.32Å; L54-F219 HydrophobicContact CB-CD1 4.11Å; L54-F219 HydrophobicContact CD1-CD1 4.12Å; L54-R220 CarbonylContact O-C 3.49Å; L54-R220 VanDerWaalsContact O-CA 3.31Å; L54-R220 WeakPolarHBondContact O-CA 3.29Å; L54-G221 PolarHBondContact N-O 3.17Å; L54-G221 PolarHBondContact O-N 3.22Å; L54-G221 VanDerWaalsContact O-O 3.13Å; L54-F223 HydrophobicContact CD1-CD2 3.93Å; L54-F223 HydrophobicContact CD1-CE2 3.74Å; L54-F223 HydrophobicContact CG-CD2 4.45Å; L54-P251 HydrophobicContact CD2-CG 4.23Å |
| 55 | N | 87.3 | Confident | 77.3 | Confident | 65 Ų | 65 | 59.6 Ų | 59.6 | 35% | 0.348 | 32% | 0.317 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.8 | 12.8 | -173.1 | 66.9 | -6.4 | 0 | 0 | 0 | 113.8 | Q57 N58 L263 | N55-Q57 VanDerWaalsContact C-N 3.27Å; N55-Q57 PolarHBondContact O-N 3.36Å; N55-Q57 PolarHBondContact OD1-N 2.79Å; N55-N58 PolarHBondContact OD1-N 2.65Å; N55-N58 VanDerWaalsContact OD1-N 3.1Å; N55-L263 HydrophobicContact CB-CD2 3.68Å |
| 56 | G | 86.4 | Confident | 79.3 | Confident | 18 Ų | 18 | 54 Ų | 54 | 19% | 0.186 | 29% | 0.288 | C | S | . | . | S | Bend | trans | 82.9 | -13.6 | -173.1 | 0 | 0 | 0 | 0 | 0 | 115.2 | N218 F219 | G56-N218 WeakPolarHBondContact O-CB 3.37Å; G56-N218 PolarHBondContact O-ND2 2.57Å; G56-F219 VanDerWaalsContact CA-O 3.28Å; G56-F219 WeakPolarHBondContact CA-O 3.41Å; G56-F219 PolarHBondContact N-O 3.48Å |
| 57 | Q | 84.9 | Confident | 80.8 | Confident | 162 Ų | 162 | 51.3 Ų | 51.3 | 76% | 0.757 | 29% | 0.287 | S | S | * | . | S | Bend | trans | -98.6 | -34.7 | 172 | -65.1 | -176.9 | -14.8 | 0 | 0 | 111.7 | N55 | N55-Q57 VanDerWaalsContact C-N 3.27Å; N55-Q57 PolarHBondContact O-N 3.36Å; N55-Q57 PolarHBondContact OD1-N 2.79Å |
| 58 | N | 86.7 | Confident | 82 | Confident | 55 Ų | 55 | 45.3 Ų | 45.3 | 29% | 0.294 | 26% | 0.257 | S | S | . | . | trans | -95.4 | 153.6 | -178.3 | -60.9 | -17.2 | 0 | 0 | 0 | 111.4 | N55 P251 | N55-N58 PolarHBondContact OD1-N 2.65Å; N55-N58 VanDerWaalsContact OD1-N 3.1Å; N58-P251 HydrophobicContact CB-CB 4.05Å; N58-P251 HydrophobicContact CB-CG 3.96Å | ||
| 59 | H | 89.1 | Confident | 83.3 | Confident | 68 Ų | 68 | 45.9 Ų | 45.9 | 32% | 0.315 | 25% | 0.251 | S | S | . | . | trans | -143.8 | 159.7 | 176.4 | 64.5 | -77.7 | 0 | 0 | 0 | 109.7 | L194 R196 P251 | H59-L194 WeakPolarHBondContact CA-O 3.43Å; H59-L194 WeakPolarHBondContact CB-O 3.44Å; H59-R196 HydrophobicContact CB-CB 3.89Å; H59-P251 WeakPolarHBondContact O-CD 3.44Å; H59-P251 WeakPolarHBondContact O-CG 3.49Å | ||
| 60 | A | 91 | Very high | 84.7 | Confident | 0 Ų | 0 | 46.1 Ų | 46.1 | 0% | 0 | 25% | 0.247 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113 | 148.1 | 171.9 | 0 | 0 | 0 | 0 | 0 | 110.3 | L52 F62 H193 L194 Q249 L250 | L52-A60 HydrophobicContact CD1-CB 4.27Å; L52-A60 HydrophobicContact CD2-CB 3.65Å; A60-F62 HydrophobicContact CB-CE2 4.23Å; A60-F62 HydrophobicContact CB-CZ 4.42Å; A60-H193 CarbonylContact O-C 3.52Å; A60-H193 WeakPolarHBondContact O-CA 3.36Å; A60-L194 HydrophobicContact CB-CB 4.36Å; A60-L194 PolarHBondContact N-O 3.44Å; A60-L194 PolarHBondContact O-N 3.04Å; A60-Q249 WeakPolarHBondContact CA-O 3.44Å; A60-L250 HydrophobicContact CB-CD2 3.9Å |
| 61 | A | 91.2 | Very high | 85.3 | Confident | 0 Ų | 0 | 43.9 Ų | 43.9 | 0% | 0 | 24% | 0.235 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -132.7 | 140.6 | 174.6 | 0 | 0 | 0 | 0 | 0 | 110.8 | M192 H193 Q249 | A61-M192 CarbonylContact C-O 3.57Å; A61-M192 VanDerWaalsContact CA-O 3.31Å; A61-M192 WeakPolarHBondContact CA-O 3.34Å; A61-H193 VanDerWaalsContact CB-CE1 3.44Å; A61-H193 WeakPolarHBondContact CB-CE1 3.45Å; A61-H193 WeakPolarHBondContact CB-ND1 3.45Å; A61-Q249 HydrophobicContact CB-CB 4.2Å; A61-Q249 PolarHBondContact N-O 3.01Å; A61-Q249 PolarHBondContact O-N 2.66Å |
| 62 | F | 92.5 | Very high | 85.5 | Confident | 0 Ų | 0 | 46.1 Ų | 46.1 | 0% | 0 | 24% | 0.244 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.8 | 118.9 | 175.9 | -54.5 | -83 | 0 | 0 | 0 | 108.5 | A60 F64 I191 M192 L194 I226 L237 V246 Q247 L250 | A60-F62 HydrophobicContact CB-CE2 4.23Å; A60-F62 HydrophobicContact CB-CZ 4.42Å; F62-F64 HydrophobicContact CB-CE2 3.89Å; F62-F64 HydrophobicContact CB-CZ 3.81Å; F62-F64 WeakPolarHBondContact O-CE2 3.24Å; F62-I191 CarbonylContact O-C 3.56Å; F62-I191 VanDerWaalsContact O-CA 3.32Å; F62-I191 WeakPolarHBondContact O-CA 3.4Å; F62-M192 HydrophobicContact CB-CB 4.39Å; F62-M192 HydrophobicContact CD2-CB 4.47Å; F62-M192 HydrophobicContact CD2-CG 4.32Å; F62-M192 HydrophobicContact CD2-SD 4.19Å; F62-M192 PolarHBondContact N-O 2.92Å; F62-M192 PolarHBondContact O-N 2.81Å; F62-L194 HydrophobicContact CE2-CD1 4.1Å; F62-L194 HydrophobicContact CE2-CG 4.49Å; F62-I226 HydrophobicContact CE2-CD1 4.47Å; F62-I226 HydrophobicContact CZ-CD1 4.35Å; F62-L237 HydrophobicContact CD1-CB 4Å; F62-L237 HydrophobicContact CD1-CD1 4.18Å; F62-L237 HydrophobicContact CD1-CD2 4Å; F62-L237 HydrophobicContact CD1-CG 4.3Å; F62-L237 HydrophobicContact CD2-CD1 4.33Å; F62-L237 HydrophobicContact CE1-CB 3.65Å; F62-L237 HydrophobicContact CE1-CD1 4.47Å; F62-L237 HydrophobicContact CE1-CD2 4.5Å; F62-L237 HydrophobicContact CE1-CG 4.43Å; F62-L237 HydrophobicContact CG-CD1 4.1Å; F62-L237 HydrophobicContact CG-CD2 4.5Å; F62-L237 HydrophobicContact CZ-CB 4.06Å; F62-V246 HydrophobicContact CB-CG1 4.32Å; F62-Q247 CarbonylContact C-O 3.56Å; F62-Q247 WeakPolarHBondContact CA-O 3.36Å; F62-L250 HydrophobicContact CE1-CD2 3.87Å; F62-L250 HydrophobicContact CZ-CD2 3.68Å |
| 63 | H | 91.9 | Very high | 85.7 | Confident | 48 Ų | 48 | 46.2 Ų | 46.2 | 22% | 0.222 | 25% | 0.245 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -98.4 | 122 | 176.2 | -58.4 | -81.2 | 0 | 0 | 0 | 109.2 | I191 V246 Q247 Q249 | H63-I191 WeakPolarHBondContact ND1-CD1 3.49Å; H63-I191 WeakPolarHBondContact ND1-CG1 3.42Å; H63-V246 CarbonylContact O-C 3.56Å; H63-V246 VanDerWaalsContact O-CA 3.29Å; H63-V246 WeakPolarHBondContact O-CA 3.25Å; H63-Q247 HydrophobicContact CB-CB 4.3Å; H63-Q247 PolarHBondContact N-O 3.18Å; H63-Q247 PolarHBondContact O-N 2.84Å; H63-Q249 PolarHBondContact NE2-NE2 2.81Å |
| 64 | F | 90.7 | Very high | 85.9 | Confident | 15 Ų | 15 | 47 Ų | 47 | 7% | 0.066 | 25% | 0.247 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -99.7 | 134.3 | -178.7 | -56.5 | -91.5 | 0 | 0 | 0 | 109.7 | F62 I73 V189 K190 M192 Y228 L237 V246 | F62-F64 HydrophobicContact CB-CE2 3.89Å; F62-F64 HydrophobicContact CB-CZ 3.81Å; F62-F64 WeakPolarHBondContact O-CE2 3.24Å; F64-I73 HydrophobicContact CE2-CD1 4.46Å; F64-I73 HydrophobicContact CZ-CD1 4.13Å; F64-V189 WeakPolarHBondContact CB-O 3.19Å; F64-V189 HydrophobicContact CD2-CB 4.22Å; F64-V189 HydrophobicContact CD2-CG1 3.52Å; F64-V189 HydrophobicContact CE2-CG1 3.72Å; F64-V189 HydrophobicContact CG-CG1 4.31Å; F64-K190 PolarHBondContact N-O 2.92Å; F64-M192 HydrophobicContact CE2-CB 3.58Å; F64-M192 HydrophobicContact CZ-CB 4.16Å; F64-M192 HydrophobicContact CZ-SD 4.4Å; F64-Y228 HydrophobicContact CD1-CD1 4.24Å; F64-Y228 AromaticContact CD1-CD2 3.51Å; F64-Y228 HydrophobicContact CD1-CD2 3.51Å; F64-Y228 HydrophobicContact CD1-CE1 4.32Å; F64-Y228 AromaticContact CD1-CE2 3.62Å; F64-Y228 HydrophobicContact CD1-CE2 3.62Å; F64-Y228 AromaticContact CD1-CG 3.86Å; F64-Y228 HydrophobicContact CD1-CG 3.86Å; F64-Y228 HydrophobicContact CE1-CD1 4.24Å; F64-Y228 AromaticContact CE1-CD2 3.24Å; F64-Y228 HydrophobicContact CE1-CD2 3.24Å; F64-Y228 AromaticContact CE1-CE2 3.86Å; F64-Y228 HydrophobicContact CE1-CE2 3.86Å; F64-Y228 AromaticContact CE1-CG 3.48Å; F64-Y228 HydrophobicContact CE1-CG 3.48Å; F64-Y228 VanDerWaalsContact CE1-CG 3.48Å; F64-Y228 HydrophobicContact CG-CE2 4.4Å; F64-Y228 HydrophobicContact CZ-CD2 4.09Å; F64-L237 HydrophobicContact CE1-CD1 4.29Å; F64-L237 HydrophobicContact CE1-CD2 4.32Å; F64-L237 HydrophobicContact CZ-CD1 4.1Å; F64-V246 HydrophobicContact CD1-CG1 4.27Å; F64-V246 HydrophobicContact CD1-CG2 3.57Å; F64-V246 HydrophobicContact CE1-CG1 4.2Å; F64-V246 HydrophobicContact CE1-CG2 3.93Å |
| 65 | N | 86 | Confident | 86.1 | Confident | 122 Ų | 122 | 47 Ų | 47 | 65% | 0.652 | 25% | 0.247 | S | C | * | . | trans | -121.7 | 57.9 | 176.4 | -168.1 | 22.8 | 0 | 0 | 0 | 108.8 | Y245 | N65-Y245 PolarHBondContact N-O 3.48Š| ||
| 66 | T | 75.4 | Confident | 86.5 | Confident | 16 Ų | 16 | 45 Ų | 45 | 10% | 0.098 | 24% | 0.236 | C | C | . | . | trans | -118.4 | 146.4 | -175.8 | 48.8 | 0 | 0 | 0 | 0 | 110.1 | E71 Y228 Y245 | T66-E71 PolarHBondContact OG1-OE1 2.96Å; T66-Y228 VanDerWaalsContact CB-OH 3.26Å; T66-Y228 WeakPolarHBondContact CB-OH 2.97Å; T66-Y228 HydrophobicContact CG2-CE1 3.92Å; T66-Y228 WeakPolarHBondContact CG2-OH 3.33Å; T66-Y228 PolarHBondContact OG1-OH 3.19Å; T66-Y245 HydrophobicContact CG2-CD1 4.37Å | ||
| 67 | V | 69.3 | Low | 86.9 | Confident | 138 Ų | 138 | 44.1 Ų | 44.1 | 84% | 0.836 | 23% | 0.227 | S | C | * | . | trans | -117.6 | 62.6 | 172 | -167.4 | 0 | 0 | 0 | 0 | 106.4 | ||||
| 68 | G | 64.1 | Low | 87.2 | Confident | 7 Ų | 7 | 39.9 Ų | 39.9 | 7% | 0.072 | 20% | 0.204 | C | C | . | . | trans | -90.7 | 140.4 | -172.2 | 0 | 0 | 0 | 0 | 0 | 112.6 | S230 | G68-S230 WeakPolarHBondContact CA-OG 3.12Š| ||
| 69 | I | 70.6 | Confident | 87.5 | Confident | 115 Ų | 115 | 37.3 Ų | 37.3 | 59% | 0.59 | 19% | 0.19 | S | C | * | . | S | Bend | trans | -100.4 | 124.2 | 157.1 | -44.9 | 171.4 | 0 | 0 | 0 | 104.2 | K163 L186 | I69-K163 HydrophobicContact CG2-CG 4.44Å; I69-L186 HydrophobicContact CG1-CD1 4.36Å |
| 70 | D | 83.3 | Confident | 87.5 | Confident | 71 Ų | 71 | 35.2 Ų | 35.2 | 38% | 0.38 | 18% | 0.18 | S | C | . | . | S | Bend | trans | 74.4 | 74.5 | -173.8 | -62.2 | -11 | 0 | 0 | 0 | 115.6 | I161 K162 | D70-I161 CarbonylContact C-O 3.56Å; D70-I161 VanDerWaalsContact CA-O 3.26Å; D70-I161 WeakPolarHBondContact CA-O 3.41Å; D70-K162 WeakPolarHBondContact OD1-CA 3.41Å; D70-K162 WeakPolarHBondContact OD1-CG 3.46Å |
| 71 | E | 90.6 | Very high | 87.3 | Confident | 3 Ų | 3 | 37.6 Ų | 37.6 | 1% | 0.014 | 19% | 0.191 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -90.5 | 140.8 | 173.5 | -57.4 | -170.2 | 138 | 0 | 0 | 111.2 | T66 T160 I161 V189 Y228 K229 | T66-E71 PolarHBondContact OG1-OE1 2.96Å; E71-T160 CarbonylContact O-C 3.57Å; E71-T160 WeakPolarHBondContact O-CA 3.48Å; E71-I161 HydrophobicContact CB-CB 4.43Å; E71-I161 PolarHBondContact N-O 2.81Å; E71-I161 PolarHBondContact O-N 2.87Å; E71-V189 WeakPolarHBondContact OE2-CG2 2.91Å; E71-V189 PolarHBondContact OE2-N 2.81Å; E71-Y228 HydrophobicContact CB-CE2 4.29Å; E71-Y228 VanDerWaalsContact CD-OH 3.32Å; E71-Y228 HydrophobicContact CG-CE2 4.45Å; E71-Y228 PolarHBondContact OE1-OH 3.01Å; E71-K229 CarbonylContact C-O 3.48Å |
| 72 | K | 92.7 | Very high | 86.9 | Confident | 52 Ų | 52 | 38.8 Ų | 38.8 | 23% | 0.226 | 20% | 0.197 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -132 | 129.4 | 177 | -67.7 | -175.8 | 179.1 | -175 | 0 | 110.4 | L40 L158 L159 T160 Y228 K229 | L40-K72 HydrophobicContact CD1-CD 3.98Å; K72-L158 HydrophobicContact CB-CD1 4.38Å; K72-L159 CarbonylContact C-O 3.53Å; K72-L159 VanDerWaalsContact CA-O 3.31Å; K72-L159 WeakPolarHBondContact CA-O 3.43Å; K72-T160 HydrophobicContact CG-CG2 3.98Å; K72-Y228 CarbonylContact O-C 3.56Å; K72-Y228 WeakPolarHBondContact O-CA 3.34Å; K72-K229 HydrophobicContact CB-CB 4.31Å; K72-K229 PolarHBondContact N-O 3.1Å; K72-K229 PolarHBondContact O-N 2.87Å |
| 73 | I | 94.7 | Very high | 86.8 | Confident | 2 Ų | 2 | 40.9 Ų | 40.9 | 1% | 0.01 | 21% | 0.207 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.8 | 118.9 | 175.6 | -62.3 | -179.6 | 0 | 0 | 0 | 107.8 | F64 F75 F89 L158 L159 V189 M192 I227 Y228 | F64-I73 HydrophobicContact CE2-CD1 4.46Å; F64-I73 HydrophobicContact CZ-CD1 4.13Å; I73-F75 HydrophobicContact CG2-CD1 3.95Å; I73-F75 HydrophobicContact CG2-CE1 4.23Å; I73-F89 HydrophobicContact CD1-CD1 4.25Å; I73-F89 HydrophobicContact CD1-CE1 3.56Å; I73-F89 HydrophobicContact CD1-CZ 4.41Å; I73-F89 HydrophobicContact CG2-CE1 4.34Å; I73-F89 HydrophobicContact CG2-CZ 4.33Å; I73-L158 WeakPolarHBondContact O-CA 3.23Å; I73-L159 HydrophobicContact CB-CB 4.3Å; I73-L159 PolarHBondContact N-O 3.34Å; I73-L159 PolarHBondContact O-N 2.62Å; I73-V189 HydrophobicContact CD1-CB 4.41Å; I73-V189 HydrophobicContact CD1-CG1 4.15Å; I73-V189 HydrophobicContact CD1-CG2 3.89Å; I73-M192 HydrophobicContact CD1-SD 4.4Å; I73-M192 HydrophobicContact CG2-CE 4.03Å; I73-M192 HydrophobicContact CG2-SD 3.82Å; I73-I227 WeakPolarHBondContact CA-O 3.25Å; I73-Y228 HydrophobicContact CD1-CD2 4.01Å; I73-Y228 HydrophobicContact CG1-CD2 3.71Å; I73-Y228 HydrophobicContact CG1-CE2 4.41Å |
| 74 | F | 94.9 | Very high | 86.7 | Confident | 29 Ų | 29 | 38.6 Ų | 38.6 | 13% | 0.127 | 20% | 0.197 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.2 | 137.9 | 176 | 174.9 | -95.7 | 0 | 0 | 0 | 109 | I42 E76 Q156 I157 L158 S225 I226 I227 | I42-F74 HydrophobicContact CD1-CD1 3.72Å; I42-F74 HydrophobicContact CD1-CE1 3.9Å; I42-F74 HydrophobicContact CD1-CG 4.12Å; I42-F74 HydrophobicContact CD1-CZ 4.44Å; F74-E76 HydrophobicContact CE1-CG 3.8Å; F74-E76 HydrophobicContact CZ-CG 3.63Å; F74-Q156 HydrophobicContact CE2-CB 4Å; F74-Q156 HydrophobicContact CE2-CG 4.46Å; F74-Q156 HydrophobicContact CZ-CB 4.35Å; F74-Q156 HydrophobicContact CZ-CG 4.37Å; F74-I157 WeakPolarHBondContact CA-O 3.32Å; F74-L158 HydrophobicContact CB-CD1 4.14Å; F74-L158 HydrophobicContact CD2-CB 4.33Å; F74-S225 VanDerWaalsContact CD1-O 3.26Å; F74-S225 WeakPolarHBondContact CD1-O 3.33Å; F74-I226 CarbonylContact O-C 3.59Å; F74-I226 WeakPolarHBondContact O-CA 3.45Å; F74-I227 HydrophobicContact CB-CB 4.45Å; F74-I227 HydrophobicContact CD1-CD1 4.2Å; F74-I227 PolarHBondContact N-O 3.34Å; F74-I227 PolarHBondContact O-N 3.43Å |
| 75 | F | 95 | Very high | 86.7 | Confident | 0 Ų | 0 | 38.4 Ų | 38.4 | 0% | 0 | 20% | 0.197 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -155.1 | 154.5 | 167.3 | 54 | -92.9 | 0 | 0 | 0 | 110 | I73 M86 F87 F89 I157 M192 F223 I226 | I73-F75 HydrophobicContact CG2-CD1 3.95Å; I73-F75 HydrophobicContact CG2-CE1 4.23Å; F75-M86 HydrophobicContact CD2-CE 4.3Å; F75-M86 HydrophobicContact CE2-CE 3.53Å; F75-M86 HydrophobicContact CZ-CE 4.44Å; F75-F87 HydrophobicContact CE2-CD1 4.23Å; F75-F87 AromaticContact CZ-CD1 3.73Å; F75-F87 HydrophobicContact CZ-CD1 3.73Å; F75-F87 HydrophobicContact CZ-CE1 4.03Å; F75-F87 HydrophobicContact CZ-CG 4.27Å; F75-F89 HydrophobicContact CE1-CZ 4.25Å; F75-I157 HydrophobicContact CD2-CB 4.18Å; F75-I157 HydrophobicContact CE1-CB 4.31Å; F75-I157 HydrophobicContact CE1-CG2 4.14Å; F75-I157 HydrophobicContact CE2-CB 3.6Å; F75-I157 HydrophobicContact CE2-CD1 3.79Å; F75-I157 HydrophobicContact CE2-CG1 3.95Å; F75-I157 HydrophobicContact CE2-CG2 4.11Å; F75-I157 HydrophobicContact CZ-CB 3.69Å; F75-I157 HydrophobicContact CZ-CD1 4.06Å; F75-I157 HydrophobicContact CZ-CG1 4.34Å; F75-I157 HydrophobicContact CZ-CG2 3.65Å; F75-I157 PolarHBondContact N-O 3.27Å; F75-I157 PolarHBondContact O-N 2.96Å; F75-M192 HydrophobicContact CD1-CE 3.56Å; F75-M192 HydrophobicContact CE1-CE 3.71Å; F75-M192 HydrophobicContact CG-CE 4.35Å; F75-F223 AromaticContact CD2-CD1 3.87Å; F75-F223 HydrophobicContact CD2-CD1 3.87Å; F75-F223 AromaticContact CD2-CE1 3.86Å; F75-F223 HydrophobicContact CD2-CE1 3.86Å; F75-F223 HydrophobicContact CE2-CD1 4.47Å; F75-F223 HydrophobicContact CE2-CE1 4.01Å; F75-I226 HydrophobicContact CB-CB 4.2Å; F75-I226 HydrophobicContact CB-CG1 3.95Å; F75-I226 HydrophobicContact CB-CG2 4.05Å |
| 76 | E | 94.4 | Very high | 87 | Confident | 24 Ų | 24 | 32.6 Ų | 32.6 | 11% | 0.112 | 17% | 0.166 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.6 | 146.1 | 173.5 | -57.5 | -179.6 | 140.6 | 0 | 0 | 109.1 | F74 W154 H155 Q156 F223 Q224 S225 | F74-E76 HydrophobicContact CE1-CG 3.8Å; F74-E76 HydrophobicContact CZ-CG 3.63Å; E76-W154 HydrophobicContact CB-CE3 3.96Å; E76-W154 HydrophobicContact CB-CZ3 4.4Å; E76-H155 CarbonylContact C-O 3.58Å; E76-H155 WeakPolarHBondContact CA-O 3.41Å; E76-Q156 HydrophobicContact CG-CG 4.06Å; E76-Q156 PolarHBondContact OE1-NE2 2.84Å; E76-F223 CarbonylContact O-C 3.53Å; E76-F223 WeakPolarHBondContact O-CA 3.41Å; E76-Q224 HydrophobicContact CB-CG 3.75Å; E76-Q224 HydrophobicContact CG-CG 4.5Å; E76-Q224 PolarHBondContact N-O 2.78Å; E76-Q224 PolarHBondContact O-N 3.23Å; E76-Q224 VanDerWaalsContact OE2-CG 3.29Å; E76-Q224 WeakPolarHBondContact OE2-CG 3.28Å; E76-Q224 PolarHBondContact OE2-NE2 2.71Å; E76-S225 PolarHBondContact OE2-OG 2.76Å |
| 77 | F | 94.8 | Very high | 87.9 | Confident | 0 Ų | 0 | 31.9 Ų | 31.9 | 0% | 0 | 16% | 0.161 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -138.2 | 155.6 | 179.2 | 77 | -81.3 | 0 | 0 | 0 | 111.7 | T79 M86 C149 W154 H155 I157 L170 F219 C222 F223 | F77-T79 HydrophobicContact CD2-CG2 4.36Å; F77-T79 HydrophobicContact CE2-CG2 4.37Å; F77-M86 HydrophobicContact CB-CE 3.58Å; F77-M86 HydrophobicContact CD1-CE 3.18Å; F77-M86 HydrophobicContact CD1-SD 4.29Å; F77-M86 HydrophobicContact CD2-CE 3.63Å; F77-M86 HydrophobicContact CD2-SD 4.07Å; F77-M86 HydrophobicContact CE1-CE 3.6Å; F77-M86 HydrophobicContact CE1-SD 4.21Å; F77-M86 HydrophobicContact CE2-CE 4.04Å; F77-M86 HydrophobicContact CE2-SD 4.03Å; F77-M86 HydrophobicContact CG-CE 3.16Å; F77-M86 HydrophobicContact CG-SD 4.19Å; F77-M86 HydrophobicContact CZ-CE 4.01Å; F77-M86 HydrophobicContact CZ-SD 4.08Å; F77-C149 HydrophobicContact CE2-CB 4.02Å; F77-C149 HydrophobicContact CZ-CB 3.91Å; F77-W154 VanDerWaalsContact C-CE3 3.41Å; F77-W154 WeakPolarHBondContact O-CA 3.21Å; F77-H155 HydrophobicContact CD1-CB 3.79Å; F77-H155 WeakPolarHBondContact CD1-O 3.32Å; F77-H155 HydrophobicContact CE1-CB 3.32Å; F77-H155 HydrophobicContact CE2-CB 4.29Å; F77-H155 HydrophobicContact CG-CB 4.48Å; F77-H155 HydrophobicContact CZ-CB 3.6Å; F77-H155 PolarHBondContact N-O 3.08Å; F77-H155 PolarHBondContact O-N 2.79Å; F77-I157 HydrophobicContact CD1-CD1 4.14Å; F77-I157 HydrophobicContact CD1-CG1 4.08Å; F77-I157 HydrophobicContact CE1-CD1 3.71Å; F77-I157 HydrophobicContact CE1-CG1 3.76Å; F77-L170 HydrophobicContact CE1-CD1 4.11Å; F77-F219 HydrophobicContact CB-CZ 4.34Å; F77-F219 HydrophobicContact CD2-CE2 4.34Å; F77-F219 HydrophobicContact CD2-CZ 4.29Å; F77-C222 CarbonylContact C-O 3.55Å; F77-C222 VanDerWaalsContact CA-O 3.26Å; F77-C222 WeakPolarHBondContact CA-O 3.12Å; F77-F223 HydrophobicContact CB-CD1 3.67Å; F77-F223 HydrophobicContact CB-CE1 3.64Å; F77-F223 HydrophobicContact CB-CG 4.46Å; F77-F223 HydrophobicContact CB-CZ 4.39Å |
| 78 | R | 92.5 | Very high | 89 | Confident | 73 Ų | 73 | 25.6 Ų | 25.6 | 28% | 0.275 | 12% | 0.123 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -145 | 132.3 | 175.1 | 176.2 | 177 | 176.2 | 166.9 | 18.4 | 109.5 | T152 Q153 W154 G221 C222 L264 | R78-T152 VanDerWaalsContact CD-O 3.26Å; R78-T152 WeakPolarHBondContact CD-O 3.49Å; R78-T152 VanDerWaalsContact NE-C 3.34Å; R78-T152 PolarHBondContact NE-O 3.36Å; R78-T152 PolarHBondContact NH2-O 3.37Å; R78-T152 PolarHBondContact NH2-OG1 3Å; R78-T152 VanDerWaalsContact NH2-OG1 3.16Å; R78-Q153 WeakPolarHBondContact CA-O 2.97Å; R78-Q153 VanDerWaalsContact CB-O 3.3Å; R78-Q153 WeakPolarHBondContact CB-O 3.24Å; R78-Q153 VanDerWaalsContact CG-O 3.29Å; R78-Q153 WeakPolarHBondContact CG-O 3.47Å; R78-W154 HydrophobicContact CB-CD2 3.8Å; R78-W154 HydrophobicContact CB-CE3 3.7Å; R78-W154 HydrophobicContact CB-CG 4.37Å; R78-W154 HydrophobicContact CB-CH2 4.34Å; R78-W154 HydrophobicContact CB-CZ2 4.43Å; R78-W154 HydrophobicContact CB-CZ3 3.97Å; R78-G221 WeakPolarHBondContact O-CA 3.26Å; R78-C222 PolarHBondContact N-O 3.01Å; R78-C222 PolarHBondContact O-N 3.43Å; R78-L264 HydrophobicContact CG-CD1 4.09Å; R78-L264 HydrophobicContact CG-CD2 4.11Å |
| 79 | T | 92.9 | Very high | 90.3 | Very high | 0 Ų | 0 | 25.3 Ų | 25.3 | 0% | 0 | 12% | 0.12 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -155.5 | 162.1 | 179.3 | -174.3 | 0 | 0 | 0 | 0 | 112.5 | F77 Q81 Q84 L111 A150 T152 F219 R220 | F77-T79 HydrophobicContact CD2-CG2 4.36Å; F77-T79 HydrophobicContact CE2-CG2 4.37Å; T79-Q81 PolarHBondContact OG1-N 2.79Å; T79-Q84 PolarHBondContact OG1-NE2 2.79Å; T79-L111 HydrophobicContact CG2-CD1 3.59Å; T79-A150 CarbonylContact O-C 3.6Å; T79-A150 VanDerWaalsContact O-C 3.24Å; T79-A150 WeakPolarHBondContact O-CA 3.44Å; T79-T152 WeakPolarHBondContact O-CA 3.42Å; T79-T152 PolarHBondContact O-N 2.84Å; T79-F219 HydrophobicContact CG2-CE2 3.96Å; T79-F219 HydrophobicContact CG2-CZ 4.3Å; T79-R220 PolarHBondContact OG1-O 3.09Å |
| 80 | R | 88.1 | Confident | 91.1 | Very high | 25 Ų | 25 | 20.6 Ų | 20.6 | 9% | 0.094 | 10% | 0.096 | C | C | . | . | trans | -105.4 | -16.5 | 172.7 | -173.5 | 59.2 | 175 | -162.4 | 0.7 | 113.8 | T152 L264 D476 D478 L479 R482 | R80-T152 HydrophobicContact CB-CG2 3.89Å; R80-T152 HydrophobicContact CG-CG2 4.26Å; R80-L264 WeakPolarHBondContact CB-O 3.4Å; R80-L264 WeakPolarHBondContact CG-O 3.23Å; R80-D476 IonicContact CZ-OD1 3.31Å; R80-D476 IonicContact CZ-OD2 3.88Å; R80-D476 IonicContact NH1-OD1 2.88Å; R80-D476 IonicContact NH1-OD2 3.72Å; R80-D476 PolarHBondContact NH1-OD2 2.96Å; R80-D476 IonicContact NH2-OD1 3.57Å; R80-D476 PolarHBondContact NH2-OD1 3.39Å; R80-D476 IonicContact NH2-OD2 3.74Å; R80-D476 PolarHBondContact NH2-OD2 3.47Å; R80-D478 IonicContact CZ-OD2 3.96Å; R80-D478 IonicContact NE-OD2 3.42Å; R80-D478 IonicContact NH2-OD2 3.64Å; R80-D478 PolarHBondContact NH2-OD2 2.93Å; R80-L479 VanDerWaalsContact CZ-CD2 3.5Å; R80-L479 VanDerWaalsContact NH1-CD1 3.29Å; R80-R482 PolarHBondContact O-NH1 3.1Å | ||
| 81 | Q | 87.5 | Confident | 91.3 | Very high | 49 Ų | 49 | 17.2 Ų | 17.2 | 23% | 0.229 | 8% | 0.077 | C | C | . | . | trans | -90.8 | 133.2 | -167.7 | -176.5 | 169.7 | -15.2 | 0 | 0 | 111.7 | T79 Q84 A150 T217 | T79-Q81 PolarHBondContact OG1-N 2.79Å; Q81-Q84 PolarHBondContact O-NE2 3.22Å; Q81-A150 WeakPolarHBondContact O-CB 3.42Å; Q81-T217 PolarHBondContact NE2-OG1 3.12Å | ||
| 82 | E | 84 | Confident | 90.9 | Very high | 26 Ų | 26 | 18.1 Ų | 18.1 | 12% | 0.121 | 8% | 0.083 | C | C | . | . | S | Bend | trans | -78.7 | -36.4 | -172.3 | -68.2 | 176 | -153 | 0 | 0 | 113.9 | L111 L112 N113 G114 A150 R482 K487 | E82-L111 CarbonylContact O-C 3.54Å; E82-L111 WeakPolarHBondContact O-CB 3.26Å; E82-L112 PolarHBondContact O-N 2.92Å; E82-N113 PolarHBondContact O-N 2.82Å; E82-G114 PolarHBondContact O-N 2.95Å; E82-A150 HydrophobicContact CG-CB 4.33Å; E82-R482 WeakPolarHBondContact OE1-CD 3.45Å; E82-R482 WeakPolarHBondContact OE1-CG 3.42Å; E82-R482 IonicContact OE1-CZ 2.9Å; E82-R482 IonicContact OE1-NE 3.06Å; E82-R482 PolarHBondContact OE1-NE 2.85Å; E82-R482 IonicContact OE1-NH1 3.64Å; E82-K487 IonicContact OE1-NZ 2.65Å; E82-K487 PolarHBondContact OE1-NZ 3.26Å; E82-K487 IonicContact OE2-NZ 2.8Å; E82-K487 PolarHBondContact OE2-NZ 2.93Å |
| 83 | N | 88.4 | Confident | 90.2 | Very high | 43 Ų | 43 | 15.7 Ų | 15.7 | 23% | 0.23 | 7% | 0.072 | C | C | . | . | S | Bend | trans | -120 | 90.8 | -168.8 | -70.4 | -35.3 | 0 | 0 | 0 | 110.3 | L111 L112 N113 L216 T217 | N83-L111 WeakPolarHBondContact CA-O 3.44Å; N83-L112 WeakPolarHBondContact OD1-CA 3.41Å; N83-N113 PolarHBondContact OD1-N 2.91Å; N83-L216 HydrophobicContact CB-CD2 4.14Å; N83-T217 PolarHBondContact O-N 2.86Å |
| 84 | Q | 91.1 | Very high | 89.1 | Confident | 0 Ų | 0 | 18.1 Ų | 18.1 | 0% | 0 | 9% | 0.085 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -157.4 | 146.7 | -174.4 | 57.7 | -177.2 | -31.2 | 0 | 0 | 113.9 | T79 Q81 Y110 L111 T217 F219 | T79-Q84 PolarHBondContact OG1-NE2 2.79Å; Q81-Q84 PolarHBondContact O-NE2 3.22Å; Q84-Y110 CarbonylContact O-C 3.56Å; Q84-Y110 WeakPolarHBondContact O-CA 3.41Å; Q84-Y110 WeakPolarHBondContact O-CB 3.47Å; Q84-L111 HydrophobicContact CG-CB 4.17Å; Q84-L111 HydrophobicContact CG-CD1 4.16Å; Q84-L111 HydrophobicContact CG-CG 4.43Å; Q84-L111 PolarHBondContact N-O 3.5Å; Q84-L111 VanDerWaalsContact N-O 3.1Å; Q84-L111 PolarHBondContact O-N 3.1Å; Q84-T217 CarbonylContact C-O 3.58Å; Q84-T217 WeakPolarHBondContact CA-O 3.43Å; Q84-F219 HydrophobicContact CG-CD2 4.18Å |
| 85 | I | 91.2 | Very high | 87.9 | Confident | 12 Ų | 12 | 17 Ų | 17 | 6% | 0.062 | 8% | 0.081 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -77.7 | 122.4 | 174.5 | -61.3 | 161.7 | 0 | 0 | 0 | 109 | L108 L216 T217 F219 | I85-L108 HydrophobicContact CG2-CD1 3.91Å; I85-L216 HydrophobicContact CG1-CB 4.24Å; I85-L216 HydrophobicContact CG1-CD1 4.44Å; I85-T217 PolarHBondContact N-O 2.92Å; I85-F219 VanDerWaalsContact O-CB 3.25Å; I85-F219 WeakPolarHBondContact O-CB 3.29Å; I85-F219 PolarHBondContact O-N 2.99Å |
| 86 | M | 92.6 | Very high | 86.3 | Confident | 0 Ų | 0 | 21.4 Ų | 21.4 | 0% | 0 | 11% | 0.107 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -100.1 | -52.8 | -171.9 | -174.1 | -174.9 | 163.3 | 0 | 0 | 112.3 | F75 F77 G109 L116 I157 G195 F219 F223 | F75-M86 HydrophobicContact CD2-CE 4.3Å; F75-M86 HydrophobicContact CE2-CE 3.53Å; F75-M86 HydrophobicContact CZ-CE 4.44Å; F77-M86 HydrophobicContact CB-CE 3.58Å; F77-M86 HydrophobicContact CD1-CE 3.18Å; F77-M86 HydrophobicContact CD1-SD 4.29Å; F77-M86 HydrophobicContact CD2-CE 3.63Å; F77-M86 HydrophobicContact CD2-SD 4.07Å; F77-M86 HydrophobicContact CE1-CE 3.6Å; F77-M86 HydrophobicContact CE1-SD 4.21Å; F77-M86 HydrophobicContact CE2-CE 4.04Å; F77-M86 HydrophobicContact CE2-SD 4.03Å; F77-M86 HydrophobicContact CG-CE 3.16Å; F77-M86 HydrophobicContact CG-SD 4.19Å; F77-M86 HydrophobicContact CZ-CE 4.01Å; F77-M86 HydrophobicContact CZ-SD 4.08Å; M86-G109 WeakPolarHBondContact CB-O 3.27Å; M86-G109 PolarHBondContact N-O 2.73Å; M86-L116 HydrophobicContact SD-CD1 4.12Å; M86-I157 HydrophobicContact CE-CD1 3.64Å; M86-I157 HydrophobicContact SD-CD1 4.12Å; M86-G195 PolarHBondContact O-N 3.3Å; M86-F219 HydrophobicContact CB-CD2 4.16Å; M86-F219 HydrophobicContact CB-CE2 4.48Å; M86-F219 HydrophobicContact CG-CD2 3.95Å; M86-F219 HydrophobicContact CG-CE2 3.87Å; M86-F223 HydrophobicContact CE-CE1 3.54Å; M86-F223 HydrophobicContact CE-CZ 4.01Å; M86-F223 HydrophobicContact CG-CE1 4.25Å; M86-F223 HydrophobicContact CG-CZ 3.82Å |
| 87 | F | 93.7 | Very high | 84.4 | Confident | 1 Ų | 1 | 26 Ų | 26 | 0% | 0.004 | 13% | 0.129 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -146.6 | 153.7 | 179.4 | 61.5 | -101.6 | 0 | 0 | 0 | 111.5 | F75 F89 L107 G109 L116 I157 L168 H193 L194 | F75-F87 HydrophobicContact CE2-CD1 4.23Å; F75-F87 AromaticContact CZ-CD1 3.73Å; F75-F87 HydrophobicContact CZ-CD1 3.73Å; F75-F87 HydrophobicContact CZ-CE1 4.03Å; F75-F87 HydrophobicContact CZ-CG 4.27Å; F87-F89 HydrophobicContact CB-CE2 4.4Å; F87-F89 AromaticContact CD2-CD2 3.61Å; F87-F89 HydrophobicContact CD2-CD2 3.61Å; F87-F89 AromaticContact CD2-CE2 3.26Å; F87-F89 HydrophobicContact CD2-CE2 3.26Å; F87-F89 HydrophobicContact CD2-CZ 4.4Å; F87-F89 HydrophobicContact CE2-CD2 4Å; F87-F89 AromaticContact CE2-CE2 3.65Å; F87-F89 HydrophobicContact CE2-CE2 3.65Å; F87-F89 AromaticContact CG-CE2 4Å; F87-F89 HydrophobicContact CG-CE2 4Å; F87-L107 HydrophobicContact CE2-CD2 4.5Å; F87-L107 HydrophobicContact CE2-CG 4.48Å; F87-G109 PolarHBondContact N-O 3.11Å; F87-G109 PolarHBondContact O-N 3.2Å; F87-L116 HydrophobicContact CE1-CD1 4.14Å; F87-I157 HydrophobicContact CD1-CD1 4.49Å; F87-I157 HydrophobicContact CE1-CD1 3.76Å; F87-L168 HydrophobicContact CZ-CD1 3.98Å; F87-H193 CarbonylContact C-O 3.53Å; F87-H193 VanDerWaalsContact CA-O 3.22Å; F87-H193 WeakPolarHBondContact CA-O 3.41Å; F87-L194 HydrophobicContact CB-CD2 3.64Å |
| 88 | S | 91.3 | Very high | 82.4 | Confident | 6 Ų | 6 | 30.3 Ų | 30.3 | 4% | 0.042 | 15% | 0.149 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -140.1 | 133.6 | 167.1 | 66.7 | 0 | 0 | 0 | 0 | 111 | L107 H193 R196 L198 | S88-L107 CarbonylContact C-O 3.52Å; S88-L107 VanDerWaalsContact CA-O 3.22Å; S88-L107 WeakPolarHBondContact CA-O 3.2Å; S88-H193 PolarHBondContact N-O 3.1Å; S88-H193 PolarHBondContact O-N 3.42Å; S88-R196 PolarHBondContact OG-O 3.42Å; S88-L198 PolarHBondContact OG-N 2.9Å |
| 89 | F | 91.1 | Very high | 80.6 | Confident | 1 Ų | 1 | 31.6 Ų | 31.6 | 0% | 0.004 | 18% | 0.175 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.4 | 134.3 | 174.7 | -59.9 | -94.8 | 0 | 0 | 0 | 110.8 | I73 F75 F87 L91 Y106 L107 L159 V189 I191 M192 | I73-F89 HydrophobicContact CD1-CD1 4.25Å; I73-F89 HydrophobicContact CD1-CE1 3.56Å; I73-F89 HydrophobicContact CD1-CZ 4.41Å; I73-F89 HydrophobicContact CG2-CE1 4.34Å; I73-F89 HydrophobicContact CG2-CZ 4.33Å; F75-F89 HydrophobicContact CE1-CZ 4.25Å; F87-F89 HydrophobicContact CB-CE2 4.4Å; F87-F89 AromaticContact CD2-CD2 3.61Å; F87-F89 HydrophobicContact CD2-CD2 3.61Å; F87-F89 AromaticContact CD2-CE2 3.26Å; F87-F89 HydrophobicContact CD2-CE2 3.26Å; F87-F89 HydrophobicContact CD2-CZ 4.4Å; F87-F89 HydrophobicContact CE2-CD2 4Å; F87-F89 AromaticContact CE2-CE2 3.65Å; F87-F89 HydrophobicContact CE2-CE2 3.65Å; F87-F89 AromaticContact CG-CE2 4Å; F87-F89 HydrophobicContact CG-CE2 4Å; F89-L91 HydrophobicContact CB-CD2 3.92Å; F89-L91 HydrophobicContact CB-CG 4.32Å; F89-Y106 VanDerWaalsContact O-CA 3.32Å; F89-Y106 WeakPolarHBondContact O-CA 3.29Å; F89-L107 HydrophobicContact CB-CB 4.14Å; F89-L107 HydrophobicContact CD2-CB 4.37Å; F89-L107 HydrophobicContact CD2-CD2 3.85Å; F89-L107 HydrophobicContact CD2-CG 4.3Å; F89-L107 HydrophobicContact CE2-CD2 4.42Å; F89-L107 PolarHBondContact N-O 3.44Å; F89-L107 PolarHBondContact O-N 2.75Å; F89-L159 HydrophobicContact CD1-CD2 4.37Å; F89-L159 HydrophobicContact CD2-CD2 4.23Å; F89-L159 HydrophobicContact CE1-CD2 4.1Å; F89-L159 HydrophobicContact CE2-CD2 3.94Å; F89-L159 HydrophobicContact CG-CD2 4.43Å; F89-L159 HydrophobicContact CZ-CD2 3.88Å; F89-V189 HydrophobicContact CD1-CG1 3.88Å; F89-I191 CarbonylContact C-O 3.57Å; F89-I191 VanDerWaalsContact CA-O 3.27Å; F89-I191 WeakPolarHBondContact CA-O 3.49Å; F89-M192 HydrophobicContact CD1-CB 3.67Å; F89-M192 HydrophobicContact CD1-CG 3.86Å; F89-M192 HydrophobicContact CE1-CB 3.57Å; F89-M192 HydrophobicContact CE1-CE 4.25Å; F89-M192 HydrophobicContact CE1-CG 3.32Å; F89-M192 HydrophobicContact CE1-SD 3.54Å; F89-M192 VanDerWaalsContact CE1-SD 3.54Å; F89-M192 HydrophobicContact CZ-CE 4.01Å; F89-M192 HydrophobicContact CZ-CG 3.83Å; F89-M192 HydrophobicContact CZ-SD 3.92Å |
| 90 | E | 88.5 | Confident | 78.8 | Confident | 16 Ų | 16 | 39.9 Ų | 39.9 | 8% | 0.075 | 21% | 0.211 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -91.6 | 122.9 | 159.5 | -172.8 | 175.2 | 168.4 | 0 | 0 | 108.2 | Y106 K190 I191 L198 | E90-Y106 HydrophobicContact CB-CD1 4.31Å; E90-Y106 HydrophobicContact CB-CE1 4.18Å; E90-Y106 HydrophobicContact CG-CD1 4.24Å; E90-Y106 HydrophobicContact CG-CE1 3.71Å; E90-K190 HydrophobicContact CG-CB 4.38Å; E90-K190 HydrophobicContact CG-CD 4.16Å; E90-K190 WeakPolarHBondContact O-CB 3.16Å; E90-K190 PolarHBondContact O-N 3.36Å; E90-K190 WeakPolarHBondContact OE1-CD 3.31Å; E90-K190 WeakPolarHBondContact OE1-CE 3.26Å; E90-K190 IonicContact OE1-NZ 3.23Å; E90-K190 PolarHBondContact OE1-NZ 2.8Å; E90-K190 IonicContact OE2-NZ 2.67Å; E90-I191 HydrophobicContact CB-CB 4.04Å; E90-I191 HydrophobicContact CB-CG1 4.26Å; E90-I191 PolarHBondContact N-O 3.31Å; E90-I191 PolarHBondContact O-N 3.07Å; E90-I191 VanDerWaalsContact O-N 3.16Å; E90-I191 WeakPolarHBondContact OE2-CD1 3.39Å; E90-L198 HydrophobicContact CB-CD2 3.85Å; E90-L198 HydrophobicContact CG-CD2 4.28Å |
| 91 | L | 87.2 | Confident | 77.8 | Confident | 0 Ų | 0 | 41.5 Ų | 41.5 | 0% | 0 | 22% | 0.22 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.8 | 136.2 | -178.9 | -51.5 | 175.3 | 0 | 0 | 0 | 108.2 | F89 S105 L107 L120 I161 I166 I187 T188 V189 | F89-L91 HydrophobicContact CB-CD2 3.92Å; F89-L91 HydrophobicContact CB-CG 4.32Å; L91-S105 WeakPolarHBondContact CB-O 3.37Å; L91-S105 PolarHBondContact N-O 3.35Å; L91-S105 PolarHBondContact O-N 3.21Å; L91-L107 HydrophobicContact CD1-CB 4.25Å; L91-L120 HydrophobicContact CD1-CD1 4.08Å; L91-I161 HydrophobicContact CD2-CD1 3.97Å; L91-I166 HydrophobicContact CD1-CD1 3.41Å; L91-I166 VanDerWaalsContact CD1-CD1 3.41Å; L91-I187 HydrophobicContact CB-CG2 3.97Å; L91-I187 HydrophobicContact CD1-CG2 4.19Å; L91-I187 HydrophobicContact CG-CG2 4.46Å; L91-T188 WeakPolarHBondContact CA-O 3.35Å; L91-V189 HydrophobicContact CD2-CB 4.31Å; L91-V189 HydrophobicContact CD2-CG1 4.46Å; L91-V189 HydrophobicContact CD2-CG2 3.84Å |
| 92 | T | 82.9 | Confident | 76.8 | Confident | 22 Ų | 22 | 46.8 Ų | 46.8 | 14% | 0.135 | 24% | 0.242 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -99.2 | 118.4 | 169.6 | -59.2 | 0 | 0 | 0 | 0 | 108.2 | I94 I187 T188 | T92-I94 HydrophobicContact CG2-CG1 4.49Å; T92-I187 WeakPolarHBondContact O-CA 3.5Å; T92-T188 PolarHBondContact N-O 2.72Å; T92-T188 PolarHBondContact O-N 2.96Å |
| 93 | S | 77.7 | Confident | 76.3 | Confident | 0 Ų | 0 | 45.6 Ų | 45.6 | 0% | 0 | 24% | 0.237 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -100.9 | 124 | 173.2 | -176.5 | 0 | 0 | 0 | 0 | 109.9 | K102 A103 L181 L186 | S93-K102 WeakPolarHBondContact O-CA 3.33Å; S93-A103 PolarHBondContact N-O 3.37Å; S93-A103 PolarHBondContact O-N 2.92Å; S93-L181 WeakPolarHBondContact OG-CD1 3.23Å; S93-L186 WeakPolarHBondContact CA-O 3.31Å |
| 94 | I | 72.1 | Confident | 75.8 | Confident | 53 Ų | 53 | 46.1 Ų | 46.1 | 27% | 0.272 | 24% | 0.24 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.4 | 108 | 173.1 | -56.8 | 173.6 | 0 | 0 | 0 | 107.7 | T92 G185 L186 | T92-I94 HydrophobicContact CG2-CG1 4.49Å; I94-G185 CarbonylContact O-C 3.53Å; I94-G185 WeakPolarHBondContact O-CA 3.17Å; I94-L186 PolarHBondContact N-O 2.98Å; I94-L186 PolarHBondContact O-N 3.08Å |
| 95 | L | 68.7 | Low | 75.3 | Confident | 7 Ų | 7 | 46.1 Ų | 46.1 | 4% | 0.037 | 24% | 0.24 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -80.7 | 127.9 | 178.7 | -71.1 | 164.5 | 0 | 0 | 0 | 110.4 | M101 L181 Q183 | L95-M101 PolarHBondContact N-O 3.39Å; L95-L181 HydrophobicContact CD2-CB 4.41Å; L95-L181 HydrophobicContact CD2-CD1 4.07Å; L95-L181 HydrophobicContact CG-CD1 4.48Å; L95-Q183 HydrophobicContact CD2-CB 3.87Å |
| 96 | T | 61.4 | Low | 75 | Confident | 91 Ų | 91 | 47.5 Ų | 47.5 | 56% | 0.558 | 25% | 0.245 | S | C | * | . | S | Bend | trans | -82.7 | -28.2 | -173.6 | 59.5 | 0 | 0 | 0 | 0 | 113.5 | D184 | T96-D184 PolarHBondContact N-O 3.15Å; T96-D184 PolarHBondContact OG1-O 3.36Å |
| 97 | Q | 55.4 | Low | 74.8 | Confident | 120 Ų | 120 | 47.6 Ų | 47.6 | 56% | 0.561 | 25% | 0.245 | S | C | * | . | S | Bend | trans | -82.3 | -22.9 | -172.7 | -66.9 | -173.8 | -6.5 | 0 | 0 | 114.8 | ||
| 98 | H | 52.4 | Low | 74.6 | Confident | 92 Ų | 92 | 47.7 Ų | 47.7 | 43% | 0.426 | 25% | 0.246 | S | C | . | . | S | Bend | trans | -121.1 | 94.5 | -179.8 | -65.5 | -59.7 | 0 | 0 | 0 | 110.1 | K100 M101 | H98-K100 VanDerWaalsContact C-N 3.29Å; H98-K100 PolarHBondContact O-N 3.11Å; H98-M101 HydrophobicContact CB-CE 4.15Å; H98-M101 HydrophobicContact CB-CG 4.29Å; H98-M101 HydrophobicContact CB-SD 4.15Å; H98-M101 WeakPolarHBondContact O-CG 3.27Å; H98-M101 PolarHBondContact O-N 3.45Å |
| 99 | A | 54.2 | Low | 74.7 | Confident | 99 Ų | 99 | 47.4 Ų | 47.4 | 82% | 0.818 | 24% | 0.244 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 32.2 | 54.8 | 167.6 | 0 | 0 | 0 | 0 | 0 | 115 | M101 | A99-M101 PolarHBondContact O-N 2.83Š|
| 100 | K | 56.2 | Low | 74.7 | Confident | 175 Ų | 175 | 47.4 Ų | 47.4 | 76% | 0.761 | 24% | 0.244 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 38.7 | 49.9 | -177.2 | -68.5 | -177.8 | 177.3 | 177.8 | 0 | 113.4 | H98 K102 | H98-K100 VanDerWaalsContact C-N 3.29Å; H98-K100 PolarHBondContact O-N 3.11Å; K100-K102 PolarHBondContact O-N 3.26Å |
| 101 | M | 65.4 | Low | 74.8 | Confident | 58 Ų | 58 | 46.7 Ų | 46.7 | 29% | 0.286 | 24% | 0.24 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -62.9 | 126 | 172.5 | -75.9 | -169.9 | -170.2 | 0 | 0 | 109.2 | L95 H98 A99 R128 | L95-M101 PolarHBondContact N-O 3.39Å; H98-M101 HydrophobicContact CB-CE 4.15Å; H98-M101 HydrophobicContact CB-CG 4.29Å; H98-M101 HydrophobicContact CB-SD 4.15Å; H98-M101 WeakPolarHBondContact O-CG 3.27Å; H98-M101 PolarHBondContact O-N 3.45Å; A99-M101 PolarHBondContact O-N 2.83Å; M101-R128 VanDerWaalsContact CE-NH1 3.26Å; M101-R128 PolarHBondContact SD-NH1 3.07Å |
| 102 | K | 68.4 | Low | 74.7 | Confident | 160 Ų | 160 | 48.8 Ų | 48.8 | 70% | 0.696 | 25% | 0.251 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -90 | 128.1 | 169.6 | -70.1 | -174.4 | 178.4 | -175.6 | 0 | 109.2 | S93 K100 | S93-K102 WeakPolarHBondContact O-CA 3.33Å; K100-K102 PolarHBondContact O-N 3.26Å |
| 103 | A | 73.6 | Confident | 74.5 | Confident | 1 Ų | 1 | 52.2 Ų | 52.2 | 1% | 0.008 | 27% | 0.269 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.8 | 134.9 | 169.1 | 0 | 0 | 0 | 0 | 0 | 108.8 | S93 F124 | S93-A103 PolarHBondContact N-O 3.37Å; S93-A103 PolarHBondContact O-N 2.92Å; A103-F124 HydrophobicContact CB-CD1 3.96Å; A103-F124 HydrophobicContact CB-CE1 3.48Å; A103-F124 VanDerWaalsContact CB-CE1 3.48Å; A103-F124 HydrophobicContact CB-CZ 3.92Å |
| 104 | D | 76.2 | Confident | 74.9 | Confident | 55 Ų | 55 | 52.2 Ų | 52.2 | 29% | 0.294 | 27% | 0.269 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.9 | 122.7 | 172 | -66.4 | -35.1 | 0 | 0 | 0 | 107.3 | Y106 H123 | D104-Y106 HydrophobicContact CB-CE2 4.46Å; D104-H123 PolarHBondContact N-O 3.01Å; D104-H123 WeakPolarHBondContact O-CA 3.44Å; D104-H123 PolarHBondContact O-N 3.34Å; D104-H123 VanDerWaalsContact O-O 3.11Å |
| 105 | S | 81.5 | Confident | 75.6 | Confident | 0 Ų | 0 | 50.4 Ų | 50.4 | 0% | 0 | 26% | 0.262 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.8 | 143.4 | 176.7 | -41.1 | 0 | 0 | 0 | 0 | 109.3 | L91 F121 N122 | L91-S105 WeakPolarHBondContact CB-O 3.37Å; L91-S105 PolarHBondContact N-O 3.35Å; L91-S105 PolarHBondContact O-N 3.21Å; S105-F121 CarbonylContact C-O 3.41Å; S105-F121 VanDerWaalsContact CA-O 3.24Å; S105-F121 WeakPolarHBondContact CA-O 3.38Å; S105-N122 WeakPolarHBondContact CB-OD1 2.91Å; S105-N122 PolarHBondContact OG-OD1 3.17Å; S105-N122 VanDerWaalsContact OG-OD1 3.1Å |
| 106 | Y | 84.7 | Confident | 76.7 | Confident | 41 Ų | 41 | 50.1 Ų | 50.1 | 16% | 0.161 | 26% | 0.26 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.5 | 120.1 | -177.4 | -59.4 | -70.8 | 0 | 0 | 0 | 109.7 | F89 E90 D104 F121 H123 L198 L199 | F89-Y106 VanDerWaalsContact O-CA 3.32Å; F89-Y106 WeakPolarHBondContact O-CA 3.29Å; E90-Y106 HydrophobicContact CB-CD1 4.31Å; E90-Y106 HydrophobicContact CB-CE1 4.18Å; E90-Y106 HydrophobicContact CG-CD1 4.24Å; E90-Y106 HydrophobicContact CG-CE1 3.71Å; D104-Y106 HydrophobicContact CB-CE2 4.46Å; Y106-F121 PolarHBondContact N-O 2.76Å; Y106-F121 PolarHBondContact O-N 3.33Å; Y106-H123 HydrophobicContact CD2-CB 4.09Å; Y106-H123 HydrophobicContact CE2-CB 3.58Å; Y106-L198 HydrophobicContact CD1-CD2 3.52Å; Y106-L198 HydrophobicContact CE1-CD2 3.25Å; Y106-L199 HydrophobicContact CD2-CD2 4.45Å |
| 107 | L | 89.1 | Confident | 78 | Confident | 1 Ų | 1 | 45.8 Ų | 45.8 | 1% | 0.005 | 23% | 0.234 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -102.1 | 116.6 | 173.5 | 178.6 | 68.8 | 0 | 0 | 0 | 108.7 | F87 S88 F89 L91 V118 N119 L120 L159 I166 L178 | F87-L107 HydrophobicContact CE2-CD2 4.5Å; F87-L107 HydrophobicContact CE2-CG 4.48Å; S88-L107 CarbonylContact C-O 3.52Å; S88-L107 VanDerWaalsContact CA-O 3.22Å; S88-L107 WeakPolarHBondContact CA-O 3.2Å; F89-L107 HydrophobicContact CB-CB 4.14Å; F89-L107 HydrophobicContact CD2-CB 4.37Å; F89-L107 HydrophobicContact CD2-CD2 3.85Å; F89-L107 HydrophobicContact CD2-CG 4.3Å; F89-L107 HydrophobicContact CE2-CD2 4.42Å; F89-L107 PolarHBondContact N-O 3.44Å; F89-L107 PolarHBondContact O-N 2.75Å; L91-L107 HydrophobicContact CD1-CB 4.25Å; L107-V118 HydrophobicContact CD1-CG1 3.42Å; L107-V118 VanDerWaalsContact CD1-CG1 3.42Å; L107-V118 HydrophobicContact CG-CG1 4.24Å; L107-N119 CarbonylContact C-O 3.49Å; L107-N119 WeakPolarHBondContact CA-O 3.11Å; L107-L120 HydrophobicContact CB-CD1 4.08Å; L107-L120 HydrophobicContact CD1-CB 4.06Å; L107-L120 HydrophobicContact CD1-CD1 4.18Å; L107-L159 HydrophobicContact CD2-CD1 3.73Å; L107-L159 HydrophobicContact CD2-CD2 4.12Å; L107-I166 HydrophobicContact CD2-CG2 4.39Å; L107-L178 HydrophobicContact CD1-CD1 3.72Å |
| 108 | L | 89 | Confident | 79.7 | Confident | 4 Ų | 4 | 40.1 Ų | 40.1 | 2% | 0.021 | 21% | 0.207 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.1 | 123.7 | 178.5 | -177.9 | 70.6 | 0 | 0 | 0 | 110.1 | I85 Y110 V118 N119 F121 F206 I210 | I85-L108 HydrophobicContact CG2-CD1 3.91Å; L108-Y110 HydrophobicContact CD2-CD1 3.94Å; L108-Y110 HydrophobicContact CD2-CE1 4.25Å; L108-Y110 HydrophobicContact CG-CD1 4.03Å; L108-V118 WeakPolarHBondContact O-CA 2.95Å; L108-N119 PolarHBondContact N-O 3.23Å; L108-N119 PolarHBondContact O-N 3.2Å; L108-F121 HydrophobicContact CB-CE2 4.18Å; L108-F206 HydrophobicContact CD2-CE2 4.12Å; L108-F206 HydrophobicContact CD2-CZ 4.06Å; L108-I210 HydrophobicContact CD2-CD1 3.48Å; L108-I210 VanDerWaalsContact CD2-CD1 3.48Å |
| 109 | G | 92.1 | Very high | 81.3 | Confident | 0 Ų | 0 | 36 Ų | 36 | 0% | 0 | 19% | 0.188 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.5 | 126 | 169.4 | 0 | 0 | 0 | 0 | 0 | 110.9 | M86 F87 V117 | M86-G109 WeakPolarHBondContact CB-O 3.27Å; M86-G109 PolarHBondContact N-O 2.73Å; F87-G109 PolarHBondContact N-O 3.11Å; F87-G109 PolarHBondContact O-N 3.2Å; G109-V117 WeakPolarHBondContact CA-O 3.04Å |
| 110 | Y | 91.6 | Very high | 82.8 | Confident | 1 Ų | 1 | 31.5 Ų | 31.5 | 0% | 0.004 | 15% | 0.15 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -142.4 | 153.8 | 176.8 | 61.9 | -83.4 | 0 | 0 | 0 | 110.9 | Q84 L108 L112 V117 N119 I210 L216 | Q84-Y110 CarbonylContact O-C 3.56Å; Q84-Y110 WeakPolarHBondContact O-CA 3.41Å; Q84-Y110 WeakPolarHBondContact O-CB 3.47Å; L108-Y110 HydrophobicContact CD2-CD1 3.94Å; L108-Y110 HydrophobicContact CD2-CE1 4.25Å; L108-Y110 HydrophobicContact CG-CD1 4.03Å; Y110-L112 HydrophobicContact CD2-CB 4.28Å; Y110-L112 HydrophobicContact CE2-CB 4.07Å; Y110-V117 HydrophobicContact CD1-CB 4.29Å; Y110-V117 HydrophobicContact CD2-CB 4.11Å; Y110-V117 HydrophobicContact CD2-CG2 4.48Å; Y110-V117 HydrophobicContact CE1-CB 3.92Å; Y110-V117 HydrophobicContact CE1-CG1 3.75Å; Y110-V117 HydrophobicContact CE2-CB 3.73Å; Y110-V117 HydrophobicContact CE2-CG1 4.02Å; Y110-V117 HydrophobicContact CE2-CG2 4.02Å; Y110-V117 HydrophobicContact CG-CB 4.39Å; Y110-V117 VanDerWaalsContact CZ-CG1 3.45Å; Y110-V117 PolarHBondContact N-O 3.49Å; Y110-V117 PolarHBondContact O-N 2.73Å; Y110-V117 WeakPolarHBondContact OH-CG1 3.32Å; Y110-N119 PolarHBondContact OH-ND2 2.7Å; Y110-I210 HydrophobicContact CE1-CD1 4.23Å; Y110-L216 HydrophobicContact CD2-CD1 3.52Å; Y110-L216 HydrophobicContact CD2-CD2 3.93Å; Y110-L216 HydrophobicContact CD2-CG 4.4Å; Y110-L216 HydrophobicContact CE2-CD1 3.91Å; Y110-L216 HydrophobicContact CG-CD1 3.91Å |
| 111 | L | 90.9 | Very high | 83.8 | Confident | 0 Ų | 0 | 24.2 Ų | 24.2 | 0% | 0 | 12% | 0.119 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -86.8 | 132 | 169.8 | -61.7 | -179.9 | 0 | 0 | 0 | 109.3 | T79 E82 N83 Q84 A115 L116 C149 L216 | T79-L111 HydrophobicContact CG2-CD1 3.59Å; E82-L111 CarbonylContact O-C 3.54Å; E82-L111 WeakPolarHBondContact O-CB 3.26Å; N83-L111 WeakPolarHBondContact CA-O 3.44Å; Q84-L111 HydrophobicContact CG-CB 4.17Å; Q84-L111 HydrophobicContact CG-CD1 4.16Å; Q84-L111 HydrophobicContact CG-CG 4.43Å; Q84-L111 PolarHBondContact N-O 3.5Å; Q84-L111 VanDerWaalsContact N-O 3.1Å; Q84-L111 PolarHBondContact O-N 3.1Å; L111-A115 CarbonylContact C-O 3.53Å; L111-A115 VanDerWaalsContact CA-O 3.29Å; L111-A115 WeakPolarHBondContact CA-O 3.11Å; L111-L116 HydrophobicContact CD2-CB 4.15Å; L111-L116 HydrophobicContact CD2-CD1 4.32Å; L111-C149 HydrophobicContact CD1-CB 4.36Å; L111-C149 HydrophobicContact CD2-CB 3.7Å; L111-L216 WeakPolarHBondContact O-CD2 3.32Å |
| 112 | L | 85.6 | Confident | 84.3 | Confident | 44 Ų | 44 | 22 Ų | 22 | 23% | 0.23 | 11% | 0.108 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.5 | 118 | 170.5 | -174.9 | 71.1 | 0 | 0 | 0 | 107.9 | E82 N83 Y110 G114 A115 V117 L216 | E82-L112 PolarHBondContact O-N 2.92Å; N83-L112 WeakPolarHBondContact OD1-CA 3.41Å; Y110-L112 HydrophobicContact CD2-CB 4.28Å; Y110-L112 HydrophobicContact CE2-CB 4.07Å; L112-G114 PolarHBondContact O-N 2.75Å; L112-G114 VanDerWaalsContact O-N 3.11Å; L112-A115 PolarHBondContact N-O 3.14Å; L112-A115 PolarHBondContact O-N 2.68Å; L112-V117 HydrophobicContact CB-CG2 3.67Å; L112-V117 HydrophobicContact CD2-CG2 4.39Å; L112-L216 HydrophobicContact CD1-CD2 4.4Å |
| 113 | N | 79.2 | Confident | 84.3 | Confident | 95 Ų | 95 | 18.6 Ų | 18.6 | 51% | 0.508 | 9% | 0.094 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 50.4 | 31.8 | -170.9 | -61 | -20.8 | 0 | 0 | 0 | 112.5 | E82 N83 A115 | E82-N113 PolarHBondContact O-N 2.82Å; N83-N113 PolarHBondContact OD1-N 2.91Å; N113-A115 VanDerWaalsContact C-N 3.3Å; N113-A115 PolarHBondContact O-N 2.81Å |
| 114 | G | 84.6 | Confident | 83.7 | Confident | 0 Ų | 0 | 19.4 Ų | 19.4 | 0% | 0 | 10% | 0.098 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 79.5 | -3.6 | -178.8 | 0 | 0 | 0 | 0 | 0 | 116.1 | E82 L112 T148 C149 | E82-G114 PolarHBondContact O-N 2.95Å; L112-G114 PolarHBondContact O-N 2.75Å; L112-G114 VanDerWaalsContact O-N 3.11Å; G114-T148 WeakPolarHBondContact CA-OG1 3.18Å; G114-T148 PolarHBondContact O-OG1 3.26Å; G114-C149 WeakPolarHBondContact O-CB 3.29Å; G114-C149 PolarHBondContact O-N 2.79Å |
| 115 | A | 87.2 | Confident | 82.9 | Confident | 15 Ų | 15 | 20.4 Ų | 20.4 | 12% | 0.124 | 11% | 0.109 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -87.5 | 143.6 | 169.1 | 0 | 0 | 0 | 0 | 0 | 110.8 | L111 L112 N113 V117 I139 | L111-A115 CarbonylContact C-O 3.53Å; L111-A115 VanDerWaalsContact CA-O 3.29Å; L111-A115 WeakPolarHBondContact CA-O 3.11Å; L112-A115 PolarHBondContact N-O 3.14Å; L112-A115 PolarHBondContact O-N 2.68Å; N113-A115 VanDerWaalsContact C-N 3.3Å; N113-A115 PolarHBondContact O-N 2.81Å; A115-V117 PolarHBondContact O-N 3.28Å; A115-I139 HydrophobicContact CB-CG2 3.93Å |
| 116 | L | 92 | Very high | 81.7 | Confident | 0 Ų | 0 | 25 Ų | 25 | 0% | 0 | 15% | 0.147 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -77.2 | 117 | 175.9 | 179.4 | 68.4 | 0 | 0 | 0 | 110.1 | M86 F87 L111 V118 I139 I140 I157 L168 L170 | M86-L116 HydrophobicContact SD-CD1 4.12Å; F87-L116 HydrophobicContact CE1-CD1 4.14Å; L111-L116 HydrophobicContact CD2-CB 4.15Å; L111-L116 HydrophobicContact CD2-CD1 4.32Å; L116-V118 HydrophobicContact CD1-CG2 4.38Å; L116-V118 HydrophobicContact CD2-CG2 4Å; L116-V118 HydrophobicContact CG-CG2 3.84Å; L116-I139 WeakPolarHBondContact O-CA 3.32Å; L116-I140 WeakPolarHBondContact CA-O 3.19Å; L116-I140 HydrophobicContact CB-CG2 4.05Å; L116-I140 HydrophobicContact CD2-CG2 4.18Å; L116-I140 HydrophobicContact CG-CG2 4.39Å; L116-I140 PolarHBondContact N-O 3.19Å; L116-I140 PolarHBondContact O-N 2.91Å; L116-I157 HydrophobicContact CD2-CD1 3.7Å; L116-L168 HydrophobicContact CD2-CD2 4.15Å; L116-L170 HydrophobicContact CB-CD2 4.19Å; L116-L170 HydrophobicContact CD2-CD1 4.23Å; L116-L170 HydrophobicContact CD2-CD2 4.11Å |
| 117 | V | 89.7 | Confident | 80.4 | Confident | 1 Ų | 1 | 32.4 Ų | 32.4 | 1% | 0.006 | 18% | 0.18 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.5 | 127.2 | 171.6 | -173 | 0 | 0 | 0 | 0 | 108.9 | G109 Y110 L112 A115 Q137 K138 I139 | G109-V117 WeakPolarHBondContact CA-O 3.04Å; Y110-V117 HydrophobicContact CD1-CB 4.29Å; Y110-V117 HydrophobicContact CD2-CB 4.11Å; Y110-V117 HydrophobicContact CD2-CG2 4.48Å; Y110-V117 HydrophobicContact CE1-CB 3.92Å; Y110-V117 HydrophobicContact CE1-CG1 3.75Å; Y110-V117 HydrophobicContact CE2-CB 3.73Å; Y110-V117 HydrophobicContact CE2-CG1 4.02Å; Y110-V117 HydrophobicContact CE2-CG2 4.02Å; Y110-V117 HydrophobicContact CG-CB 4.39Å; Y110-V117 VanDerWaalsContact CZ-CG1 3.45Å; Y110-V117 PolarHBondContact N-O 3.49Å; Y110-V117 PolarHBondContact O-N 2.73Å; Y110-V117 WeakPolarHBondContact OH-CG1 3.32Å; L112-V117 HydrophobicContact CB-CG2 3.67Å; L112-V117 HydrophobicContact CD2-CG2 4.39Å; A115-V117 PolarHBondContact O-N 3.28Å; V117-Q137 HydrophobicContact CG1-CG 3.87Å; V117-K138 WeakPolarHBondContact CA-O 3.25Å; V117-I139 HydrophobicContact CG1-CG1 4.37Å; V117-I139 HydrophobicContact CG2-CG1 4.15Å; V117-I139 HydrophobicContact CG2-CG2 4.36Å |
| 118 | V | 90.3 | Very high | 78.9 | Confident | 1 Ų | 1 | 37 Ų | 37 | 1% | 0.006 | 20% | 0.198 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.8 | 121.1 | 179.8 | -171 | 0 | 0 | 0 | 0 | 109.1 | L107 L108 L116 K138 L168 L178 | L107-V118 HydrophobicContact CD1-CG1 3.42Å; L107-V118 VanDerWaalsContact CD1-CG1 3.42Å; L107-V118 HydrophobicContact CG-CG1 4.24Å; L108-V118 WeakPolarHBondContact O-CA 2.95Å; L116-V118 HydrophobicContact CD1-CG2 4.38Å; L116-V118 HydrophobicContact CD2-CG2 4Å; L116-V118 HydrophobicContact CG-CG2 3.84Å; V118-K138 PolarHBondContact N-O 3.03Å; V118-K138 PolarHBondContact O-N 3.24Å; V118-L168 HydrophobicContact CG1-CD1 4.26Å; V118-L168 HydrophobicContact CG2-CD1 3.87Å; V118-L168 HydrophobicContact CG2-CD2 4.47Å; V118-L178 HydrophobicContact CB-CD1 4.49Å; V118-L178 HydrophobicContact CG1-CD1 3.6Å |
| 119 | N | 85.8 | Confident | 77.3 | Confident | 5 Ų | 5 | 40.1 Ų | 40.1 | 3% | 0.027 | 22% | 0.22 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.9 | 129.8 | -179.5 | -72.8 | -4.7 | 0 | 0 | 0 | 110.7 | L107 L108 Y110 F121 S136 Q137 | L107-N119 CarbonylContact C-O 3.49Å; L107-N119 WeakPolarHBondContact CA-O 3.11Å; L108-N119 PolarHBondContact N-O 3.23Å; L108-N119 PolarHBondContact O-N 3.2Å; Y110-N119 PolarHBondContact OH-ND2 2.7Å; N119-F121 HydrophobicContact CB-CD2 4.34Å; N119-F121 HydrophobicContact CB-CE1 4.27Å; N119-F121 HydrophobicContact CB-CE2 3.42Å; N119-F121 VanDerWaalsContact CB-CE2 3.42Å; N119-F121 HydrophobicContact CB-CZ 3.39Å; N119-S136 WeakPolarHBondContact CA-O 3.43Å; N119-Q137 WeakPolarHBondContact OD1-CA 3.44Å; N119-Q137 WeakPolarHBondContact OD1-CB 3.31Å; N119-Q137 WeakPolarHBondContact OD1-CG 3.22Å |
| 120 | L | 85.2 | Confident | 75.5 | Confident | 4 Ų | 4 | 48.4 Ų | 48.4 | 2% | 0.021 | 25% | 0.252 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.5 | 121.8 | 176.5 | 179.9 | 62.3 | 0 | 0 | 0 | 110.3 | L91 L107 G135 S136 I166 L178 P180 | L91-L120 HydrophobicContact CD1-CD1 4.08Å; L107-L120 HydrophobicContact CB-CD1 4.08Å; L107-L120 HydrophobicContact CD1-CB 4.06Å; L107-L120 HydrophobicContact CD1-CD1 4.18Å; L120-G135 WeakPolarHBondContact O-CA 3.47Å; L120-S136 PolarHBondContact N-O 3.35Å; L120-S136 VanDerWaalsContact N-O 3.16Å; L120-S136 PolarHBondContact O-N 3.19Å; L120-I166 HydrophobicContact CD1-CD1 4.07Å; L120-I166 HydrophobicContact CD2-CD1 3.99Å; L120-L178 HydrophobicContact CD2-CB 4.01Å; L120-P180 HydrophobicContact CD2-CB 3.64Å; L120-P180 HydrophobicContact CD2-CG 4.02Å; L120-P180 HydrophobicContact CG-CB 4.23Å |
| 121 | F | 77.6 | Confident | 73.6 | Confident | 22 Ų | 22 | 51.6 Ų | 51.6 | 10% | 0.096 | 27% | 0.269 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.8 | 147.1 | -177.5 | -50.5 | -83.1 | 0 | 0 | 0 | 111.1 | S105 Y106 L108 N119 F209 I210 | S105-F121 CarbonylContact C-O 3.41Å; S105-F121 VanDerWaalsContact CA-O 3.24Å; S105-F121 WeakPolarHBondContact CA-O 3.38Å; Y106-F121 PolarHBondContact N-O 2.76Å; Y106-F121 PolarHBondContact O-N 3.33Å; L108-F121 HydrophobicContact CB-CE2 4.18Å; N119-F121 HydrophobicContact CB-CD2 4.34Å; N119-F121 HydrophobicContact CB-CE1 4.27Å; N119-F121 HydrophobicContact CB-CE2 3.42Å; N119-F121 VanDerWaalsContact CB-CE2 3.42Å; N119-F121 HydrophobicContact CB-CZ 3.39Å; F121-F209 HydrophobicContact CD1-CB 4.34Å; F121-F209 HydrophobicContact CD1-CD1 4.43Å; F121-F209 HydrophobicContact CD1-CG 4.45Å; F121-F209 HydrophobicContact CE1-CB 3.8Å; F121-F209 HydrophobicContact CE1-CG 4.37Å; F121-F209 HydrophobicContact CZ-CB 4.37Å; F121-I210 HydrophobicContact CE2-CD1 4.48Å; F121-I210 HydrophobicContact CZ-CD1 4.05Å; F121-I210 HydrophobicContact CZ-CG1 3.98Å |
| 122 | N | 75.3 | Confident | 71.9 | Confident | 13 Ų | 13 | 54 Ų | 54 | 7% | 0.07 | 28% | 0.282 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112 | 132.2 | 172.3 | -60.4 | -29.8 | 0 | 0 | 0 | 110.1 | S105 F124 P180 | S105-N122 WeakPolarHBondContact CB-OD1 2.91Å; S105-N122 PolarHBondContact OG-OD1 3.17Å; S105-N122 VanDerWaalsContact OG-OD1 3.1Å; N122-F124 HydrophobicContact CB-CE2 3.98Å; N122-P180 PolarHBondContact ND2-O 3.47Å |
| 123 | H | 68.3 | Low | 70.6 | Confident | 87 Ų | 87 | 56.4 Ų | 56.4 | 40% | 0.403 | 29% | 0.292 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.5 | 117.8 | 175.2 | -168.9 | 67.8 | 0 | 0 | 0 | 110.5 | D104 Y106 | D104-H123 PolarHBondContact N-O 3.01Å; D104-H123 WeakPolarHBondContact O-CA 3.44Å; D104-H123 PolarHBondContact O-N 3.34Å; D104-H123 VanDerWaalsContact O-O 3.11Å; Y106-H123 HydrophobicContact CD2-CB 4.09Å; Y106-H123 HydrophobicContact CE2-CB 3.58Å |
| 124 | F | 61.2 | Low | 69.4 | Low | 18 Ų | 18 | 55.7 Ų | 55.7 | 8% | 0.079 | 29% | 0.293 | C | S | . | . | trans | -99.4 | 144.9 | 172.4 | -65.1 | -89.9 | 0 | 0 | 0 | 110.1 | A103 N122 R128 L131 N132 L181 | A103-F124 HydrophobicContact CB-CD1 3.96Å; A103-F124 HydrophobicContact CB-CE1 3.48Å; A103-F124 VanDerWaalsContact CB-CE1 3.48Å; A103-F124 HydrophobicContact CB-CZ 3.92Å; N122-F124 HydrophobicContact CB-CE2 3.98Å; F124-R128 HydrophobicContact CB-CB 4.3Å; F124-L131 HydrophobicContact CB-CB 4.47Å; F124-L131 HydrophobicContact CD1-CB 4.38Å; F124-L131 HydrophobicContact CD1-CD1 4.34Å; F124-L131 HydrophobicContact CD2-CB 3.61Å; F124-L131 HydrophobicContact CE1-CD1 4.47Å; F124-L131 HydrophobicContact CE2-CB 3.84Å; F124-L131 VanDerWaalsContact CE2-O 3.3Å; F124-L131 WeakPolarHBondContact CE2-O 3.3Å; F124-L131 HydrophobicContact CG-CB 3.9Å; F124-L131 HydrophobicContact CZ-CB 4.31Å; F124-N132 PolarHBondContact N-OD1 3.43Å; F124-L181 HydrophobicContact CZ-CD2 4.15Å | ||
| 125 | S | 61 | Low | 68.3 | Low | 76 Ų | 76 | 57.2 Ų | 57.2 | 53% | 0.531 | 31% | 0.308 | S | S | . | . | trans | -45.8 | 152.8 | 178.3 | 69.6 | 0 | 0 | 0 | 0 | 113.2 | K127 R128 | S125-K127 PolarHBondContact O-N 3.16Å; S125-R128 CarbonylContact O-C 3.47Å; S125-R128 WeakPolarHBondContact O-CA 3.43Å; S125-R128 PolarHBondContact O-N 2.77Å | ||
| 126 | A | 55.3 | Low | 67.4 | Low | 97 Ų | 97 | 58.3 Ų | 58.3 | 80% | 0.802 | 32% | 0.315 | S | S | * | . | G | 310 helix | trans | -51 | -28.8 | -174.9 | 0 | 0 | 0 | 0 | 0 | 115.6 | R128 | A126-R128 PolarHBondContact O-N 2.86Š|
| 127 | K | 56.7 | Low | 66.7 | Low | 197 Ų | 197 | 63.1 Ų | 63.1 | 86% | 0.857 | 34% | 0.338 | S | S | * | . | G | 310 helix | trans | -70.6 | -8.5 | 175.1 | -70.6 | -175.4 | 177.3 | -178.9 | 0 | 114 | S125 | S125-K127 PolarHBondContact O-N 3.16Š|
| 128 | R | 59.1 | Low | 66.4 | Low | 97 Ų | 97 | 67.8 Ų | 67.8 | 37% | 0.366 | 36% | 0.358 | S | S | . | . | G | 310 helix | trans | -140.8 | 27.5 | -170.5 | -61.3 | -174.9 | -176.6 | 170.3 | 0.1 | 113.5 | M101 F124 S125 A126 Y130 L131 | M101-R128 VanDerWaalsContact CE-NH1 3.26Å; M101-R128 PolarHBondContact SD-NH1 3.07Å; F124-R128 HydrophobicContact CB-CB 4.3Å; S125-R128 CarbonylContact O-C 3.47Å; S125-R128 WeakPolarHBondContact O-CA 3.43Å; S125-R128 PolarHBondContact O-N 2.77Å; A126-R128 PolarHBondContact O-N 2.86Å; R128-Y130 HydrophobicContact CB-CE1 4.19Å; R128-Y130 HydrophobicContact CG-CE1 4.36Å; R128-Y130 PolarHBondContact O-N 3.32Å; R128-L131 HydrophobicContact CB-CD1 4.46Å; R128-L131 PolarHBondContact O-N 2.78Å; R128-L131 VanDerWaalsContact O-N 3.1Å |
| 129 | S | 55.2 | Low | 65.9 | Low | 70 Ų | 70 | 72.9 Ų | 72.9 | 49% | 0.49 | 38% | 0.384 | S | S | . | . | G | 310 helix | trans | -55.6 | -22.9 | -179.7 | 54.8 | 0 | 0 | 0 | 0 | 114.4 | L131 N132 | S129-L131 PolarHBondContact O-N 3.08Å; S129-N132 WeakPolarHBondContact O-CB 3.2Å; S129-N132 VanDerWaalsContact O-CG 3.28Å; S129-N132 PolarHBondContact O-N 2.89Å; S129-N132 VanDerWaalsContact O-N 3.15Å; S129-N132 PolarHBondContact O-ND2 2.94Å |
| 130 | Y | 54.1 | Low | 65.9 | Low | 173 Ų | 173 | 73.5 Ų | 73.5 | 68% | 0.678 | 39% | 0.387 | S | S | * | . | G | 310 helix | trans | -63.3 | -17 | 176.3 | 61.7 | -94.8 | 0 | 0 | 0 | 114.4 | R128 | R128-Y130 HydrophobicContact CB-CE1 4.19Å; R128-Y130 HydrophobicContact CG-CE1 4.36Å; R128-Y130 PolarHBondContact O-N 3.32Å |
| 131 | L | 51.2 | Low | 65.7 | Low | 69 Ų | 69 | 75.8 Ų | 75.8 | 36% | 0.361 | 40% | 0.404 | S | S | . | . | G | 310 helix | trans | -87.9 | -3 | 176 | -67.7 | 172.1 | 0 | 0 | 0 | 113.7 | F124 R128 S129 Q133 | F124-L131 HydrophobicContact CB-CB 4.47Å; F124-L131 HydrophobicContact CD1-CB 4.38Å; F124-L131 HydrophobicContact CD1-CD1 4.34Å; F124-L131 HydrophobicContact CD2-CB 3.61Å; F124-L131 HydrophobicContact CE1-CD1 4.47Å; F124-L131 HydrophobicContact CE2-CB 3.84Å; F124-L131 VanDerWaalsContact CE2-O 3.3Å; F124-L131 WeakPolarHBondContact CE2-O 3.3Å; F124-L131 HydrophobicContact CG-CB 3.9Å; F124-L131 HydrophobicContact CZ-CB 4.31Å; R128-L131 HydrophobicContact CB-CD1 4.46Å; R128-L131 PolarHBondContact O-N 2.78Å; R128-L131 VanDerWaalsContact O-N 3.1Å; S129-L131 PolarHBondContact O-N 3.08Å; L131-Q133 PolarHBondContact O-N 2.9Å; L131-Q133 VanDerWaalsContact O-N 3.08Å |
| 132 | N | 56.5 | Low | 66.2 | Low | 51 Ų | 51 | 74.9 Ų | 74.9 | 27% | 0.273 | 40% | 0.4 | S | S | . | . | trans | -64.9 | 112.1 | 178.6 | -68.8 | -18.8 | 0 | 0 | 0 | 109.8 | F124 S129 | F124-N132 PolarHBondContact N-OD1 3.43Å; S129-N132 WeakPolarHBondContact O-CB 3.2Å; S129-N132 VanDerWaalsContact O-CG 3.28Å; S129-N132 PolarHBondContact O-N 2.89Å; S129-N132 VanDerWaalsContact O-N 3.15Å; S129-N132 PolarHBondContact O-ND2 2.94Å | ||
| 133 | Q | 56.8 | Low | 66.5 | Low | 93 Ų | 93 | 79.2 Ų | 79.2 | 44% | 0.435 | 42% | 0.422 | S | S | . | . | P | Polyproline II helix | trans | -89.1 | 142.9 | 175.2 | -71.3 | -170 | -14.9 | 0 | 0 | 111.1 | L131 G135 | L131-Q133 PolarHBondContact O-N 2.9Å; L131-Q133 VanDerWaalsContact O-N 3.08Å; Q133-G135 PolarHBondContact O-N 3.17Å |
| 134 | P | 54.5 | Low | 67 | Low | 80 Ų | 80 | 75.7 Ų | 75.7 | 52% | 0.519 | 41% | 0.407 | S | S | . | . | P | Polyproline II helix | trans | -62.6 | 127.9 | 167.9 | 26.6 | -31.4 | 0 | 0 | 0 | 109.1 | ||
| 135 | G | 61.2 | Low | 67.4 | Low | 32 Ų | 32 | 77 Ų | 77 | 33% | 0.33 | 42% | 0.415 | S | S | . | . | P | Polyproline II helix | trans | -64.1 | 159.5 | -172.7 | 0 | 0 | 0 | 0 | 0 | 114.9 | L120 Q133 | L120-G135 WeakPolarHBondContact O-CA 3.47Å; Q133-G135 PolarHBondContact O-N 3.17Å |
| 136 | S | 68.1 | Low | 68 | Low | 39 Ų | 39 | 74.7 Ų | 74.7 | 27% | 0.273 | 40% | 0.395 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -81.1 | 130.3 | 168.6 | 53.6 | 0 | 0 | 0 | 0 | 109.9 | N119 L120 | N119-S136 WeakPolarHBondContact CA-O 3.43Å; L120-S136 PolarHBondContact N-O 3.35Å; L120-S136 VanDerWaalsContact N-O 3.16Å; L120-S136 PolarHBondContact O-N 3.19Å |
| 137 | Q | 76.7 | Confident | 69 | Low | 101 Ų | 101 | 74.8 Ų | 74.8 | 47% | 0.472 | 38% | 0.382 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.1 | 132.6 | 175.9 | 174.2 | 167.1 | 13.4 | 0 | 0 | 109.8 | V117 N119 | V117-Q137 HydrophobicContact CG1-CG 3.87Å; N119-Q137 WeakPolarHBondContact OD1-CA 3.44Å; N119-Q137 WeakPolarHBondContact OD1-CB 3.31Å; N119-Q137 WeakPolarHBondContact OD1-CG 3.22Å |
| 138 | K | 84 | Confident | 70.3 | Confident | 99 Ų | 99 | 65.9 Ų | 65.9 | 43% | 0.43 | 34% | 0.344 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.3 | 139.9 | 171.8 | -64.7 | -71.3 | -175.3 | -179.3 | 0 | 109.2 | V117 V118 I176 L178 | V117-K138 WeakPolarHBondContact CA-O 3.25Å; V118-K138 PolarHBondContact N-O 3.03Å; V118-K138 PolarHBondContact O-N 3.24Å; K138-I176 HydrophobicContact CB-CD1 4.5Å; K138-I176 HydrophobicContact CB-CG2 3.82Å; K138-I176 HydrophobicContact CD-CG2 4.13Å; K138-I176 HydrophobicContact CG-CG2 3.57Å; K138-L178 HydrophobicContact CB-CD2 4.3Å; K138-L178 HydrophobicContact CG-CD2 3.73Å |
| 139 | I | 80.8 | Confident | 71.8 | Confident | 107 Ų | 107 | 61.3 Ų | 61.3 | 55% | 0.549 | 33% | 0.327 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.4 | 131.2 | 178.3 | -52.5 | 179.5 | 0 | 0 | 0 | 107.1 | A115 L116 V117 | A115-I139 HydrophobicContact CB-CG2 3.93Å; L116-I139 WeakPolarHBondContact O-CA 3.32Å; V117-I139 HydrophobicContact CG1-CG1 4.37Å; V117-I139 HydrophobicContact CG2-CG1 4.15Å; V117-I139 HydrophobicContact CG2-CG2 4.36Å |
| 140 | I | 85.1 | Confident | 73.4 | Confident | 18 Ų | 18 | 58 Ų | 58 | 9% | 0.092 | 30% | 0.303 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -143.5 | 133.8 | 177.6 | -171.5 | 163.7 | 0 | 0 | 0 | 109.8 | L116 L170 Q173 I176 | L116-I140 WeakPolarHBondContact CA-O 3.19Å; L116-I140 HydrophobicContact CB-CG2 4.05Å; L116-I140 HydrophobicContact CD2-CG2 4.18Å; L116-I140 HydrophobicContact CG-CG2 4.39Å; L116-I140 PolarHBondContact N-O 3.19Å; L116-I140 PolarHBondContact O-N 2.91Å; I140-L170 HydrophobicContact CB-CD2 4.43Å; I140-L170 HydrophobicContact CD1-CB 4.26Å; I140-L170 HydrophobicContact CG1-CD2 4.13Å; I140-L170 HydrophobicContact CG2-CB 4.44Å; I140-L170 HydrophobicContact CG2-CD2 3.69Å; I140-Q173 HydrophobicContact CD1-CB 4.35Å; I140-I176 HydrophobicContact CB-CD1 3.75Å; I140-I176 HydrophobicContact CD1-CD1 3.57Å; I140-I176 HydrophobicContact CD1-CG1 4.2Å; I140-I176 HydrophobicContact CG1-CD1 4.24Å; I140-I176 HydrophobicContact CG2-CD1 3.72Å |
| 141 | S | 81.7 | Confident | 74.9 | Confident | 53 Ų | 53 | 49.9 Ų | 49.9 | 37% | 0.371 | 27% | 0.272 | S | S | . | . | trans | -86.2 | 150.7 | 172.2 | -69.6 | 0 | 0 | 0 | 0 | 110.3 | D147 Q173 | S141-D147 WeakPolarHBondContact CB-O 2.87Å; S141-D147 PolarHBondContact OG-O 2.85Å; S141-Q173 PolarHBondContact O-NE2 2.76Å | ||
| 142 | C | 87.3 | Confident | 76.5 | Confident | 3 Ų | 3 | 47.9 Ų | 47.9 | 2% | 0.02 | 26% | 0.263 | C | S | . | . | trans | -70.7 | 153.9 | 171.9 | -73.4 | 0 | 0 | 0 | 0 | 111.2 | S144 C149 H155 L170 D171 | C142-S144 PolarHBondContact O-N 3.36Å; C142-C149 HydrophobicContact CB-CB 3.88Å; C142-C149 WeakPolarHBondContact CB-SG 3.19Å; C142-C149 PolarHBondContact N-SG 2.84Å; C142-C149 WeakPolarHBondContact SG-CA 3.3Å; C142-C149 WeakPolarHBondContact SG-CB 3.25Å; C142-C149 CovalentContact SG-SG 2.02Å; C142-C149 PolarHBondContact SG-SG 2.86Å; C142-H155 WeakPolarHBondContact CB-CE1 3.07Å; C142-H155 WeakPolarHBondContact CB-ND1 3.05Å; C142-L170 HydrophobicContact CB-CD2 4.43Å; C142-D171 WeakPolarHBondContact CA-OD2 3.3Å; C142-D171 VanDerWaalsContact CB-OD2 3.26Å; C142-D171 WeakPolarHBondContact CB-OD2 3.3Å | ||
| 143 | I | 80.6 | Confident | 78 | Confident | 104 Ų | 104 | 48.8 Ų | 48.8 | 53% | 0.533 | 27% | 0.265 | S | S | . | . | S | Bend | trans | -78.7 | 104.4 | 167.9 | -63.8 | 177.2 | 0 | 0 | 0 | 106.3 | D171 Q173 | I143-D171 HydrophobicContact CB-CB 4.01Å; I143-D171 HydrophobicContact CD1-CB 4.28Å; I143-D171 HydrophobicContact CG1-CB 4.14Å; I143-D171 PolarHBondContact N-OD2 2.88Å; I143-Q173 HydrophobicContact CD1-CG 3.51Å; I143-Q173 HydrophobicContact CG1-CG 3.73Å |
| 144 | S | 79.7 | Confident | 79.6 | Confident | 12 Ų | 12 | 48 Ų | 48 | 8% | 0.084 | 26% | 0.258 | C | S | . | . | S | Bend | trans | -145.3 | 168.8 | 170.2 | 64.9 | 0 | 0 | 0 | 0 | 110.4 | C142 Y146 D147 T148 D151 | C142-S144 PolarHBondContact O-N 3.36Å; S144-Y146 PolarHBondContact O-N 2.77Å; S144-Y146 VanDerWaalsContact O-N 3.13Å; S144-Y146 PolarHBondContact OG-N 3.1Å; S144-D147 PolarHBondContact O-N 2.89Å; S144-D147 PolarHBondContact OG-N 2.83Å; S144-T148 PolarHBondContact OG-N 2.84Å; S144-T148 PolarHBondContact OG-O 2.83Å; S144-D151 WeakPolarHBondContact CB-OD2 3.45Å; S144-D151 PolarHBondContact OG-OD2 2.83Å |
| 145 | D | 69.1 | Low | 81.5 | Confident | 46 Ų | 46 | 44.3 Ų | 44.3 | 25% | 0.246 | 23% | 0.234 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -63.9 | -13.7 | 173.2 | -71.8 | -46.8 | 0 | 0 | 0 | 113.4 | K291 R473 W475 | D145-K291 IonicContact OD1-NZ 3.14Å; D145-K291 PolarHBondContact OD1-NZ 3.02Å; D145-R473 VanDerWaalsContact CG-NH2 3.3Å; D145-R473 IonicContact OD2-CZ 3.4Å; D145-R473 VanDerWaalsContact OD2-CZ 3.22Å; D145-R473 IonicContact OD2-NH1 3.29Å; D145-R473 PolarHBondContact OD2-NH1 3.45Å; D145-R473 IonicContact OD2-NH2 2.73Å; D145-R473 PolarHBondContact OD2-NH2 2.72Å; D145-W475 HydrophobicContact CB-CH2 4.23Å; D145-W475 HydrophobicContact CB-CZ3 4.01Å |
| 146 | Y | 74.6 | Confident | 83.1 | Confident | 27 Ų | 27 | 46.2 Ų | 46.2 | 11% | 0.106 | 23% | 0.234 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -111.6 | 6.5 | -177.8 | -55.3 | -77.3 | 0 | 0 | 0 | 113.2 | S144 T148 D151 W475 D476 L479 E480 | S144-Y146 PolarHBondContact O-N 2.77Å; S144-Y146 VanDerWaalsContact O-N 3.13Å; S144-Y146 PolarHBondContact OG-N 3.1Å; Y146-T148 PolarHBondContact O-N 2.83Å; Y146-D151 HydrophobicContact CD2-CB 3.9Å; Y146-W475 AromaticContact CE1-CE3 3.86Å; Y146-W475 HydrophobicContact CE1-CE3 3.86Å; Y146-W475 HydrophobicContact CE1-CZ3 4.17Å; Y146-D476 HydrophobicContact CE1-CB 4.1Å; Y146-D476 HydrophobicContact CE2-CB 4.5Å; Y146-D476 VanDerWaalsContact OH-CB 3.28Å; Y146-D476 WeakPolarHBondContact OH-CB 3.12Å; Y146-D476 PolarHBondContact OH-N 2.84Å; Y146-L479 HydrophobicContact CD1-CB 3.46Å; Y146-L479 VanDerWaalsContact CD1-CB 3.46Å; Y146-L479 HydrophobicContact CD1-CD1 4.04Å; Y146-L479 HydrophobicContact CD1-CG 4.41Å; Y146-L479 HydrophobicContact CD2-CB 4.34Å; Y146-L479 HydrophobicContact CD2-CD1 3.42Å; Y146-L479 VanDerWaalsContact CD2-CD1 3.42Å; Y146-L479 HydrophobicContact CE1-CB 3.87Å; Y146-L479 HydrophobicContact CE1-CD1 4.14Å; Y146-L479 HydrophobicContact CE2-CD1 3.53Å; Y146-L479 HydrophobicContact CG-CB 3.73Å; Y146-L479 HydrophobicContact CG-CD1 3.69Å; Y146-L479 HydrophobicContact CG-CG 4.35Å; Y146-E480 HydrophobicContact CD1-CG 3.93Å; Y146-E480 WeakPolarHBondContact CD1-OE1 3.17Å; Y146-E480 HydrophobicContact CE1-CG 3.86Å; Y146-E480 VanDerWaalsContact CE1-OE1 3.23Å; Y146-E480 WeakPolarHBondContact CE1-OE1 3.43Å |
| 147 | D | 75.3 | Confident | 84.4 | Confident | 99 Ų | 99 | 44.4 Ų | 44.4 | 53% | 0.529 | 22% | 0.222 | S | C | . | . | S | Bend | trans | 49.8 | 32.8 | -177 | -67.7 | -36.6 | 0 | 0 | 0 | 114.2 | S141 S144 | S141-D147 WeakPolarHBondContact CB-O 2.87Å; S141-D147 PolarHBondContact OG-O 2.85Å; S144-D147 PolarHBondContact O-N 2.89Å; S144-D147 PolarHBondContact OG-N 2.83Å |
| 148 | T | 84.3 | Confident | 85.3 | Confident | 11 Ų | 11 | 40.8 Ų | 40.8 | 7% | 0.067 | 21% | 0.205 | C | C | . | . | S | Bend | trans | -144.3 | 146.8 | -176 | -170.7 | 0 | 0 | 0 | 0 | 112 | G114 S144 Y146 A150 D151 L479 | G114-T148 WeakPolarHBondContact CA-OG1 3.18Å; G114-T148 PolarHBondContact O-OG1 3.26Å; S144-T148 PolarHBondContact OG-N 2.84Å; S144-T148 PolarHBondContact OG-O 2.83Å; Y146-T148 PolarHBondContact O-N 2.83Å; T148-A150 VanDerWaalsContact C-N 3.31Å; T148-A150 PolarHBondContact OG1-N 2.82Å; T148-D151 HydrophobicContact CG2-CB 3.95Å; T148-D151 VanDerWaalsContact O-CG 3.29Å; T148-L479 HydrophobicContact CG2-CD2 4.47Å |
| 149 | C | 90.3 | Very high | 85.8 | Confident | 0 Ų | 0 | 36.2 Ų | 36.2 | 0% | 0 | 19% | 0.186 | C | C | . | . | S | Bend | trans | -82.4 | -9.2 | 175.8 | -58 | 0 | 0 | 0 | 0 | 113.7 | F77 L111 G114 C142 D151 | F77-C149 HydrophobicContact CE2-CB 4.02Å; F77-C149 HydrophobicContact CZ-CB 3.91Å; L111-C149 HydrophobicContact CD1-CB 4.36Å; L111-C149 HydrophobicContact CD2-CB 3.7Å; G114-C149 WeakPolarHBondContact O-CB 3.29Å; G114-C149 PolarHBondContact O-N 2.79Å; C142-C149 HydrophobicContact CB-CB 3.88Å; C142-C149 WeakPolarHBondContact CB-SG 3.19Å; C142-C149 PolarHBondContact N-SG 2.84Å; C142-C149 WeakPolarHBondContact SG-CA 3.3Å; C142-C149 WeakPolarHBondContact SG-CB 3.25Å; C142-C149 CovalentContact SG-SG 2.02Å; C142-C149 PolarHBondContact SG-SG 2.86Å; C149-D151 VanDerWaalsContact C-N 3.29Å |
| 150 | A | 88.9 | Confident | 86.4 | Confident | 0 Ų | 0 | 31.6 Ų | 31.6 | 0% | 0 | 16% | 0.162 | C | C | . | . | trans | -97.7 | 30.9 | -178.2 | 0 | 0 | 0 | 0 | 0 | 111.9 | T79 Q81 E82 T148 L479 R482 | T79-A150 CarbonylContact O-C 3.6Å; T79-A150 VanDerWaalsContact O-C 3.24Å; T79-A150 WeakPolarHBondContact O-CA 3.44Å; Q81-A150 WeakPolarHBondContact O-CB 3.42Å; E82-A150 HydrophobicContact CG-CB 4.33Å; T148-A150 VanDerWaalsContact C-N 3.31Å; T148-A150 PolarHBondContact OG1-N 2.82Å; A150-L479 VanDerWaalsContact O-CD2 3.29Å; A150-L479 WeakPolarHBondContact O-CD2 3.08Å; A150-R482 PolarHBondContact O-NH1 3.28Å | ||
| 151 | D | 85.7 | Confident | 86.6 | Confident | 3 Ų | 3 | 30.9 Ų | 30.9 | 2% | 0.016 | 16% | 0.159 | C | C | . | . | S | Bend | trans | -96.7 | -0.3 | -171.9 | 65.1 | -8.4 | 0 | 0 | 0 | 114.1 | S144 Y146 T148 C149 Q153 H155 L479 | S144-D151 WeakPolarHBondContact CB-OD2 3.45Å; S144-D151 PolarHBondContact OG-OD2 2.83Å; Y146-D151 HydrophobicContact CD2-CB 3.9Å; T148-D151 HydrophobicContact CG2-CB 3.95Å; T148-D151 VanDerWaalsContact O-CG 3.29Å; C149-D151 VanDerWaalsContact C-N 3.29Å; D151-Q153 VanDerWaalsContact C-N 3.26Å; D151-Q153 PolarHBondContact O-N 2.84Å; D151-Q153 PolarHBondContact OD1-N 2.99Å; D151-Q153 WeakPolarHBondContact OD2-CB 3.35Å; D151-Q153 VanDerWaalsContact OD2-CG 3.26Å; D151-Q153 WeakPolarHBondContact OD2-CG 3.41Å; D151-Q153 PolarHBondContact OD2-OE1 2.84Å; D151-H155 VanDerWaalsContact CG-NE2 3.35Å; D151-H155 IonicContact OD1-CD2 2.65Å; D151-H155 IonicContact OD1-CE1 3.69Å; D151-H155 IonicContact OD1-NE2 2.75Å; D151-H155 PolarHBondContact OD1-NE2 2.93Å; D151-H155 IonicContact OD2-CE1 3.74Å; D151-H155 IonicContact OD2-NE2 2.86Å; D151-H155 PolarHBondContact OD2-NE2 2.86Å; D151-L479 VanDerWaalsContact CA-CD1 3.45Å; D151-L479 HydrophobicContact CB-CD1 3.68Å; D151-L479 HydrophobicContact CB-CD2 4.48Å |
| 152 | T | 86 | Confident | 86.7 | Confident | 28 Ų | 28 | 32 Ų | 32 | 17% | 0.172 | 16% | 0.157 | C | C | . | . | S | Bend | trans | 62 | 26.5 | -169.8 | 85.8 | 0 | 0 | 0 | 0 | 113.7 | R78 T79 R80 L264 | R78-T152 VanDerWaalsContact CD-O 3.26Å; R78-T152 WeakPolarHBondContact CD-O 3.49Å; R78-T152 VanDerWaalsContact NE-C 3.34Å; R78-T152 PolarHBondContact NE-O 3.36Å; R78-T152 PolarHBondContact NH2-O 3.37Å; R78-T152 PolarHBondContact NH2-OG1 3Å; R78-T152 VanDerWaalsContact NH2-OG1 3.16Å; T79-T152 WeakPolarHBondContact O-CA 3.42Å; T79-T152 PolarHBondContact O-N 2.84Å; R80-T152 HydrophobicContact CB-CG2 3.89Å; R80-T152 HydrophobicContact CG-CG2 4.26Å; T152-L264 HydrophobicContact CG2-CB 4.25Å |
| 153 | Q | 87.3 | Confident | 86.4 | Confident | 69 Ų | 69 | 39 Ų | 39 | 32% | 0.322 | 19% | 0.187 | S | C | . | . | S | Bend | trans | -93.5 | 164.4 | 164.9 | -60.9 | -173 | -4.8 | 0 | 0 | 109.7 | R78 D151 | R78-Q153 WeakPolarHBondContact CA-O 2.97Å; R78-Q153 VanDerWaalsContact CB-O 3.3Å; R78-Q153 WeakPolarHBondContact CB-O 3.24Å; R78-Q153 VanDerWaalsContact CG-O 3.29Å; R78-Q153 WeakPolarHBondContact CG-O 3.47Å; D151-Q153 VanDerWaalsContact C-N 3.26Å; D151-Q153 PolarHBondContact O-N 2.84Å; D151-Q153 PolarHBondContact OD1-N 2.99Å; D151-Q153 WeakPolarHBondContact OD2-CB 3.35Å; D151-Q153 VanDerWaalsContact OD2-CG 3.26Å; D151-Q153 WeakPolarHBondContact OD2-CG 3.41Å; D151-Q153 PolarHBondContact OD2-OE1 2.84Å |
| 154 | W | 91.2 | Very high | 86.3 | Confident | 78 Ų | 78 | 34.9 Ų | 34.9 | 30% | 0.295 | 17% | 0.166 | S | C | . | . | trans | -83.7 | 116.6 | 171.6 | -79 | 111.7 | 0 | 0 | 0 | 108.6 | V51 E76 F77 R78 C222 Q224 C259 | V51-W154 HydrophobicContact CG1-CH2 4.08Å; V51-W154 HydrophobicContact CG1-CZ2 4.45Å; E76-W154 HydrophobicContact CB-CE3 3.96Å; E76-W154 HydrophobicContact CB-CZ3 4.4Å; F77-W154 VanDerWaalsContact C-CE3 3.41Å; F77-W154 WeakPolarHBondContact O-CA 3.21Å; R78-W154 HydrophobicContact CB-CD2 3.8Å; R78-W154 HydrophobicContact CB-CE3 3.7Å; R78-W154 HydrophobicContact CB-CG 4.37Å; R78-W154 HydrophobicContact CB-CH2 4.34Å; R78-W154 HydrophobicContact CB-CZ2 4.43Å; R78-W154 HydrophobicContact CB-CZ3 3.97Å; W154-C222 HydrophobicContact CH2-CB 3.68Å; W154-C222 HydrophobicContact CZ2-CB 4.32Å; W154-C222 HydrophobicContact CZ3-CB 4.37Å; W154-Q224 HydrophobicContact CD2-CG 4.27Å; W154-Q224 HydrophobicContact CE3-CG 3.83Å; W154-Q224 HydrophobicContact CH2-CB 3.77Å; W154-Q224 HydrophobicContact CH2-CG 3.62Å; W154-Q224 HydrophobicContact CZ2-CB 4.41Å; W154-Q224 HydrophobicContact CZ2-CG 4.06Å; W154-Q224 VanDerWaalsContact CZ2-OE1 3.27Å; W154-Q224 HydrophobicContact CZ3-CB 3.99Å; W154-Q224 HydrophobicContact CZ3-CG 3.5Å; W154-Q224 VanDerWaalsContact CZ3-CG 3.5Å; W154-C259 HydrophobicContact CZ2-CB 4.32Å | ||
| 155 | H | 94.2 | Very high | 86.5 | Confident | 2 Ų | 2 | 36.3 Ų | 36.3 | 1% | 0.009 | 17% | 0.173 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.4 | 150.2 | 176.2 | -65.8 | -63.4 | 0 | 0 | 0 | 110.8 | E76 F77 C142 D151 D171 | E76-H155 CarbonylContact C-O 3.58Å; E76-H155 WeakPolarHBondContact CA-O 3.41Å; F77-H155 HydrophobicContact CD1-CB 3.79Å; F77-H155 WeakPolarHBondContact CD1-O 3.32Å; F77-H155 HydrophobicContact CE1-CB 3.32Å; F77-H155 HydrophobicContact CE2-CB 4.29Å; F77-H155 HydrophobicContact CG-CB 4.48Å; F77-H155 HydrophobicContact CZ-CB 3.6Å; F77-H155 PolarHBondContact N-O 3.08Å; F77-H155 PolarHBondContact O-N 2.79Å; C142-H155 WeakPolarHBondContact CB-CE1 3.07Å; C142-H155 WeakPolarHBondContact CB-ND1 3.05Å; D151-H155 VanDerWaalsContact CG-NE2 3.35Å; D151-H155 IonicContact OD1-CD2 2.65Å; D151-H155 IonicContact OD1-CE1 3.69Å; D151-H155 IonicContact OD1-NE2 2.75Å; D151-H155 PolarHBondContact OD1-NE2 2.93Å; D151-H155 IonicContact OD2-CE1 3.74Å; D151-H155 IonicContact OD2-NE2 2.86Å; D151-H155 PolarHBondContact OD2-NE2 2.86Å; H155-D171 VanDerWaalsContact CA-OD1 3.25Å; H155-D171 WeakPolarHBondContact CA-OD1 3.36Å; H155-D171 WeakPolarHBondContact CB-OD1 3.42Å; H155-D171 IonicContact CE1-OD2 3.12Å; H155-D171 IonicContact CG-OD1 2.92Å; H155-D171 IonicContact CG-OD2 3.85Å; H155-D171 IonicContact ND1-OD1 2.71Å; H155-D171 PolarHBondContact ND1-OD1 2.86Å; H155-D171 IonicContact ND1-OD2 3.46Å; H155-D171 PolarHBondContact ND1-OD2 2.78Å |
| 156 | Q | 94.4 | Very high | 87.5 | Confident | 71 Ų | 71 | 34.1 Ų | 34.1 | 33% | 0.332 | 16% | 0.161 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.4 | 130 | -174 | -53.4 | -170.4 | -31.1 | 0 | 0 | 110.5 | F74 E76 L170 D171 | F74-Q156 HydrophobicContact CE2-CB 4Å; F74-Q156 HydrophobicContact CE2-CG 4.46Å; F74-Q156 HydrophobicContact CZ-CB 4.35Å; F74-Q156 HydrophobicContact CZ-CG 4.37Å; E76-Q156 HydrophobicContact CG-CG 4.06Å; E76-Q156 PolarHBondContact OE1-NE2 2.84Å; Q156-L170 WeakPolarHBondContact O-CA 3.25Å; Q156-D171 PolarHBondContact N-OD1 3.47Å; Q156-D171 PolarHBondContact O-N 2.87Å |
| 157 | I | 95.7 | Very high | 88.3 | Confident | 1 Ų | 1 | 35.2 Ų | 35.2 | 1% | 0.005 | 17% | 0.167 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.6 | 126.5 | 171.5 | -59.8 | -167.7 | 0 | 0 | 0 | 109.3 | F74 F75 F77 M86 F87 L116 L168 V169 L170 | F74-I157 WeakPolarHBondContact CA-O 3.32Å; F75-I157 HydrophobicContact CD2-CB 4.18Å; F75-I157 HydrophobicContact CE1-CB 4.31Å; F75-I157 HydrophobicContact CE1-CG2 4.14Å; F75-I157 HydrophobicContact CE2-CB 3.6Å; F75-I157 HydrophobicContact CE2-CD1 3.79Å; F75-I157 HydrophobicContact CE2-CG1 3.95Å; F75-I157 HydrophobicContact CE2-CG2 4.11Å; F75-I157 HydrophobicContact CZ-CB 3.69Å; F75-I157 HydrophobicContact CZ-CD1 4.06Å; F75-I157 HydrophobicContact CZ-CG1 4.34Å; F75-I157 HydrophobicContact CZ-CG2 3.65Å; F75-I157 PolarHBondContact N-O 3.27Å; F75-I157 PolarHBondContact O-N 2.96Å; F77-I157 HydrophobicContact CD1-CD1 4.14Å; F77-I157 HydrophobicContact CD1-CG1 4.08Å; F77-I157 HydrophobicContact CE1-CD1 3.71Å; F77-I157 HydrophobicContact CE1-CG1 3.76Å; M86-I157 HydrophobicContact CE-CD1 3.64Å; M86-I157 HydrophobicContact SD-CD1 4.12Å; F87-I157 HydrophobicContact CD1-CD1 4.49Å; F87-I157 HydrophobicContact CE1-CD1 3.76Å; L116-I157 HydrophobicContact CD2-CD1 3.7Å; I157-L168 HydrophobicContact CG2-CD1 4.17Å; I157-L168 HydrophobicContact CG2-CG 4.24Å; I157-V169 WeakPolarHBondContact CA-O 3.36Å; I157-L170 HydrophobicContact CD1-CD1 4.15Å; I157-L170 HydrophobicContact CG1-CD1 3.71Å |
| 158 | L | 95.4 | Very high | 89.1 | Confident | 25 Ų | 25 | 30.6 Ų | 30.6 | 13% | 0.131 | 14% | 0.142 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.2 | 111.3 | 168.8 | 174.8 | 67.5 | 0 | 0 | 0 | 109.3 | K72 I73 F74 V169 | K72-L158 HydrophobicContact CB-CD1 4.38Å; I73-L158 WeakPolarHBondContact O-CA 3.23Å; F74-L158 HydrophobicContact CB-CD1 4.14Å; F74-L158 HydrophobicContact CD2-CB 4.33Å; L158-V169 HydrophobicContact CB-CB 4.25Å; L158-V169 PolarHBondContact N-O 3.2Å; L158-V169 PolarHBondContact O-N 3.01Å |
| 159 | L | 94.3 | Very high | 89.6 | Confident | 3 Ų | 3 | 30.9 Ų | 30.9 | 2% | 0.016 | 14% | 0.144 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -91.8 | 127.6 | 167.4 | -170.2 | 75.4 | 0 | 0 | 0 | 108.8 | K72 I73 F89 L107 I161 I166 F167 L168 | K72-L159 CarbonylContact C-O 3.53Å; K72-L159 VanDerWaalsContact CA-O 3.31Å; K72-L159 WeakPolarHBondContact CA-O 3.43Å; I73-L159 HydrophobicContact CB-CB 4.3Å; I73-L159 PolarHBondContact N-O 3.34Å; I73-L159 PolarHBondContact O-N 2.62Å; F89-L159 HydrophobicContact CD1-CD2 4.37Å; F89-L159 HydrophobicContact CD2-CD2 4.23Å; F89-L159 HydrophobicContact CE1-CD2 4.1Å; F89-L159 HydrophobicContact CE2-CD2 3.94Å; F89-L159 HydrophobicContact CG-CD2 4.43Å; F89-L159 HydrophobicContact CZ-CD2 3.88Å; L107-L159 HydrophobicContact CD2-CD1 3.73Å; L107-L159 HydrophobicContact CD2-CD2 4.12Å; L159-I161 HydrophobicContact CD2-CD1 4.45Å; L159-I166 HydrophobicContact CD1-CG2 3.48Å; L159-I166 VanDerWaalsContact CD1-CG2 3.48Å; L159-I166 HydrophobicContact CG-CG2 4.28Å; L159-F167 CarbonylContact C-O 3.55Å; L159-F167 WeakPolarHBondContact CA-O 3.27Å; L159-L168 HydrophobicContact CD1-CB 4.38Å; L159-L168 HydrophobicContact CD1-CD1 4.37Å |
| 160 | T | 92.4 | Very high | 89.7 | Confident | 10 Ų | 10 | 30.9 Ų | 30.9 | 6% | 0.061 | 14% | 0.144 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.6 | 122.4 | 175.4 | -60.3 | 0 | 0 | 0 | 0 | 109.2 | E71 K72 K162 F167 | E71-T160 CarbonylContact O-C 3.57Å; E71-T160 WeakPolarHBondContact O-CA 3.48Å; K72-T160 HydrophobicContact CG-CG2 3.98Å; T160-K162 HydrophobicContact CG2-CG 3.9Å; T160-F167 PolarHBondContact N-O 3.24Å; T160-F167 PolarHBondContact O-N 3.49Å |
| 161 | I | 89.8 | Confident | 89.8 | Confident | 4 Ų | 4 | 31.9 Ų | 31.9 | 2% | 0.021 | 15% | 0.149 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.7 | 110.2 | 176.7 | -54.9 | -175.9 | 0 | 0 | 0 | 107.8 | D70 E71 L91 L159 D165 I166 I187 V189 | D70-I161 CarbonylContact C-O 3.56Å; D70-I161 VanDerWaalsContact CA-O 3.26Å; D70-I161 WeakPolarHBondContact CA-O 3.41Å; E71-I161 HydrophobicContact CB-CB 4.43Å; E71-I161 PolarHBondContact N-O 2.81Å; E71-I161 PolarHBondContact O-N 2.87Å; L91-I161 HydrophobicContact CD2-CD1 3.97Å; L159-I161 HydrophobicContact CD2-CD1 4.45Å; I161-D165 WeakPolarHBondContact CA-O 3.22Å; I161-I166 HydrophobicContact CG1-CG1 4.31Å; I161-I187 HydrophobicContact CD1-CG2 4.41Å; I161-I187 HydrophobicContact CG2-CB 3.86Å; I161-I187 HydrophobicContact CG2-CG2 4Å; I161-V189 HydrophobicContact CD1-CG2 3.37Å |
| 162 | K | 85.1 | Confident | 89.8 | Confident | 77 Ų | 77 | 36.2 Ų | 36.2 | 34% | 0.335 | 18% | 0.18 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.7 | 110.5 | 175.8 | -64.9 | -169.7 | 178.2 | 178.8 | 0 | 109.6 | D70 T160 N164 D165 F167 | D70-K162 WeakPolarHBondContact OD1-CA 3.41Å; D70-K162 WeakPolarHBondContact OD1-CG 3.46Å; T160-K162 HydrophobicContact CG2-CG 3.9Å; K162-N164 PolarHBondContact O-N 3.03Å; K162-D165 PolarHBondContact N-O 3.29Å; K162-D165 PolarHBondContact O-N 3.49Å; K162-F167 HydrophobicContact CB-CE2 4.43Å |
| 163 | K | 80.4 | Confident | 89.8 | Confident | 148 Ų | 148 | 37.5 Ų | 37.5 | 64% | 0.643 | 18% | 0.183 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 54.3 | -96.6 | -176.3 | -59.9 | 179.5 | 176.9 | -179.4 | 0 | 112.4 | I69 G185 I187 | I69-K163 HydrophobicContact CG2-CG 4.44Å; K163-G185 CarbonylContact C-O 3.56Å; K163-I187 PolarHBondContact O-N 3.4Å |
| 164 | N | 78 | Confident | 89.5 | Confident | 19 Ų | 19 | 38.7 Ų | 38.7 | 10% | 0.102 | 20% | 0.199 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -110.1 | -8.5 | 179.9 | -168.9 | 46.8 | 0 | 0 | 0 | 113.3 | K162 P180 L181 Q183 I187 | K162-N164 PolarHBondContact O-N 3.03Å; N164-P180 WeakPolarHBondContact O-CD 3.5Å; N164-L181 PolarHBondContact ND2-O 3.21Å; N164-Q183 PolarHBondContact ND2-O 2.81Å; N164-I187 WeakPolarHBondContact O-CD1 3.08Å |
| 165 | D | 85.1 | Confident | 89.2 | Confident | 42 Ų | 42 | 38.2 Ų | 38.2 | 23% | 0.225 | 21% | 0.206 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -97.2 | 131.7 | -177.1 | -70.3 | -23 | 0 | 0 | 0 | 110.9 | I161 K162 F167 K177 | I161-D165 WeakPolarHBondContact CA-O 3.22Å; K162-D165 PolarHBondContact N-O 3.29Å; K162-D165 PolarHBondContact O-N 3.49Å; D165-F167 HydrophobicContact CB-CD2 4.19Å; D165-F167 HydrophobicContact CB-CE2 3.38Å; D165-F167 HydrophobicContact CB-CZ 3.7Å; D165-K177 WeakPolarHBondContact OD1-CE 3.43Å; D165-K177 IonicContact OD1-NZ 3.71Å; D165-K177 PolarHBondContact OD1-NZ 3.34Å; D165-K177 WeakPolarHBondContact OD2-CE 3.46Å; D165-K177 IonicContact OD2-NZ 3.99Å; D165-K177 PolarHBondContact OD2-NZ 3.04Å |
| 166 | I | 89.3 | Confident | 88.7 | Confident | 0 Ų | 0 | 39.3 Ų | 39.3 | 0% | 0 | 21% | 0.212 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.2 | 122.7 | 171.6 | -56.4 | 173.8 | 0 | 0 | 0 | 107.9 | L91 L107 L120 L159 I161 L178 P180 I187 | L91-I166 HydrophobicContact CD1-CD1 3.41Å; L91-I166 VanDerWaalsContact CD1-CD1 3.41Å; L107-I166 HydrophobicContact CD2-CG2 4.39Å; L120-I166 HydrophobicContact CD1-CD1 4.07Å; L120-I166 HydrophobicContact CD2-CD1 3.99Å; L159-I166 HydrophobicContact CD1-CG2 3.48Å; L159-I166 VanDerWaalsContact CD1-CG2 3.48Å; L159-I166 HydrophobicContact CG-CG2 4.28Å; I161-I166 HydrophobicContact CG1-CG1 4.31Å; I166-L178 HydrophobicContact CB-CB 4.21Å; I166-L178 HydrophobicContact CG2-CD1 4.37Å; I166-L178 PolarHBondContact N-O 3.12Å; I166-L178 PolarHBondContact O-N 3.35Å; I166-P180 HydrophobicContact CD1-CG 4.33Å; I166-I187 HydrophobicContact CD1-CD1 4.41Å; I166-I187 HydrophobicContact CG1-CD1 4.26Å |
| 167 | F | 91 | Very high | 88.3 | Confident | 50 Ų | 50 | 40.5 Ų | 40.5 | 22% | 0.219 | 22% | 0.216 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.5 | 131.5 | 175.2 | -59.6 | -87.4 | 0 | 0 | 0 | 109.6 | L159 T160 K162 D165 P175 I176 K177 | L159-F167 CarbonylContact C-O 3.55Å; L159-F167 WeakPolarHBondContact CA-O 3.27Å; T160-F167 PolarHBondContact N-O 3.24Å; T160-F167 PolarHBondContact O-N 3.49Å; K162-F167 HydrophobicContact CB-CE2 4.43Å; D165-F167 HydrophobicContact CB-CD2 4.19Å; D165-F167 HydrophobicContact CB-CE2 3.38Å; D165-F167 HydrophobicContact CB-CZ 3.7Å; F167-P175 HydrophobicContact CB-CB 4.42Å; F167-P175 HydrophobicContact CD1-CB 4.35Å; F167-I176 CarbonylContact C-O 3.58Å; F167-I176 WeakPolarHBondContact CA-O 3.25Å; F167-K177 HydrophobicContact CD1-CB 4.05Å; F167-K177 HydrophobicContact CD1-CG 4.35Å; F167-K177 HydrophobicContact CE1-CB 3.91Å; F167-K177 HydrophobicContact CE1-CD 3.83Å; F167-K177 HydrophobicContact CE1-CG 3.9Å; F167-K177 HydrophobicContact CZ-CD 4.12Å; F167-K177 HydrophobicContact CZ-CG 4.41Å |
| 168 | L | 93.4 | Very high | 87.7 | Confident | 1 Ų | 1 | 40.5 Ų | 40.5 | 1% | 0.005 | 22% | 0.216 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.9 | 126.2 | 172.4 | -174.9 | 143.4 | 0 | 0 | 0 | 109.7 | F87 L116 V118 I157 L159 L170 P175 I176 | F87-L168 HydrophobicContact CZ-CD1 3.98Å; L116-L168 HydrophobicContact CD2-CD2 4.15Å; V118-L168 HydrophobicContact CG1-CD1 4.26Å; V118-L168 HydrophobicContact CG2-CD1 3.87Å; V118-L168 HydrophobicContact CG2-CD2 4.47Å; I157-L168 HydrophobicContact CG2-CD1 4.17Å; I157-L168 HydrophobicContact CG2-CG 4.24Å; L159-L168 HydrophobicContact CD1-CB 4.38Å; L159-L168 HydrophobicContact CD1-CD1 4.37Å; L168-L170 HydrophobicContact CD2-CB 4.4Å; L168-P175 WeakPolarHBondContact O-CA 3.45Å; L168-I176 PolarHBondContact N-O 2.95Å; L168-I176 PolarHBondContact O-N 3.39Å |
| 169 | V | 92.8 | Very high | 86.6 | Confident | 18 Ų | 18 | 41.4 Ų | 41.4 | 11% | 0.109 | 22% | 0.221 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.2 | 125.8 | 172.9 | 173.5 | 0 | 0 | 0 | 0 | 107.8 | I157 L158 Q173 P175 | I157-V169 WeakPolarHBondContact CA-O 3.36Å; L158-V169 HydrophobicContact CB-CB 4.25Å; L158-V169 PolarHBondContact N-O 3.2Å; L158-V169 PolarHBondContact O-N 3.01Å; V169-Q173 WeakPolarHBondContact CG1-O 3.23Å; V169-P175 HydrophobicContact CG2-CB 3.64Å |
| 170 | L | 93.4 | Very high | 85.2 | Confident | 0 Ų | 0 | 41.6 Ų | 41.6 | 0% | 0 | 22% | 0.222 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.2 | 126.7 | 172.7 | -179.8 | 65.8 | 0 | 0 | 0 | 108.6 | F77 L116 I140 C142 Q156 I157 L168 S172 Q173 | F77-L170 HydrophobicContact CE1-CD1 4.11Å; L116-L170 HydrophobicContact CB-CD2 4.19Å; L116-L170 HydrophobicContact CD2-CD1 4.23Å; L116-L170 HydrophobicContact CD2-CD2 4.11Å; I140-L170 HydrophobicContact CB-CD2 4.43Å; I140-L170 HydrophobicContact CD1-CB 4.26Å; I140-L170 HydrophobicContact CG1-CD2 4.13Å; I140-L170 HydrophobicContact CG2-CB 4.44Å; I140-L170 HydrophobicContact CG2-CD2 3.69Å; C142-L170 HydrophobicContact CB-CD2 4.43Å; Q156-L170 WeakPolarHBondContact O-CA 3.25Å; I157-L170 HydrophobicContact CD1-CD1 4.15Å; I157-L170 HydrophobicContact CG1-CD1 3.71Å; L168-L170 HydrophobicContact CD2-CB 4.4Å; L170-S172 PolarHBondContact O-N 2.72Å; L170-S172 VanDerWaalsContact O-N 3.12Å; L170-Q173 WeakPolarHBondContact O-CB 3.27Å; L170-Q173 VanDerWaalsContact O-CG 3.25Å; L170-Q173 WeakPolarHBondContact O-CG 3.46Å; L170-Q173 PolarHBondContact O-N 2.99Å; L170-Q173 PolarHBondContact O-NE2 3.22Å |
| 171 | D | 90.5 | Very high | 83.8 | Confident | 21 Ų | 21 | 41.9 Ų | 41.9 | 11% | 0.112 | 22% | 0.224 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 48.7 | 39.4 | 177.4 | -60.3 | -25.3 | 0 | 0 | 0 | 114.8 | C142 I143 H155 Q156 Q173 | C142-D171 WeakPolarHBondContact CA-OD2 3.3Å; C142-D171 VanDerWaalsContact CB-OD2 3.26Å; C142-D171 WeakPolarHBondContact CB-OD2 3.3Å; I143-D171 HydrophobicContact CB-CB 4.01Å; I143-D171 HydrophobicContact CD1-CB 4.28Å; I143-D171 HydrophobicContact CG1-CB 4.14Å; I143-D171 PolarHBondContact N-OD2 2.88Å; H155-D171 VanDerWaalsContact CA-OD1 3.25Å; H155-D171 WeakPolarHBondContact CA-OD1 3.36Å; H155-D171 WeakPolarHBondContact CB-OD1 3.42Å; H155-D171 IonicContact CE1-OD2 3.12Å; H155-D171 IonicContact CG-OD1 2.92Å; H155-D171 IonicContact CG-OD2 3.85Å; H155-D171 IonicContact ND1-OD1 2.71Å; H155-D171 PolarHBondContact ND1-OD1 2.86Å; H155-D171 IonicContact ND1-OD2 3.46Å; H155-D171 PolarHBondContact ND1-OD2 2.78Å; Q156-D171 PolarHBondContact N-OD1 3.47Å; Q156-D171 PolarHBondContact O-N 2.87Å; D171-Q173 PolarHBondContact O-N 2.78Å; D171-Q173 VanDerWaalsContact O-N 3.11Å |
| 172 | S | 86.4 | Confident | 82.4 | Confident | 94 Ų | 94 | 48 Ų | 48 | 66% | 0.657 | 26% | 0.256 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 60.3 | 16.7 | -176.8 | -52.5 | 0 | 0 | 0 | 0 | 115.3 | L170 | L170-S172 PolarHBondContact O-N 2.72Å; L170-S172 VanDerWaalsContact O-N 3.12Å |
| 173 | Q | 85.1 | Confident | 81.3 | Confident | 54 Ų | 54 | 47.4 Ų | 47.4 | 25% | 0.252 | 26% | 0.255 | S | S | . | . | P | Polyproline II helix | trans | -65.4 | 171.5 | 168.9 | -65.9 | 178.2 | 62.4 | 0 | 0 | 111.6 | I140 S141 I143 V169 L170 D171 | I140-Q173 HydrophobicContact CD1-CB 4.35Å; S141-Q173 PolarHBondContact O-NE2 2.76Å; I143-Q173 HydrophobicContact CD1-CG 3.51Å; I143-Q173 HydrophobicContact CG1-CG 3.73Å; V169-Q173 WeakPolarHBondContact CG1-O 3.23Å; L170-Q173 WeakPolarHBondContact O-CB 3.27Å; L170-Q173 VanDerWaalsContact O-CG 3.25Å; L170-Q173 WeakPolarHBondContact O-CG 3.46Å; L170-Q173 PolarHBondContact O-N 2.99Å; L170-Q173 PolarHBondContact O-NE2 3.22Å; D171-Q173 PolarHBondContact O-N 2.78Å; D171-Q173 VanDerWaalsContact O-N 3.11Å |
| 174 | S | 80.9 | Confident | 80.5 | Confident | 94 Ų | 94 | 45.6 Ų | 45.6 | 66% | 0.657 | 25% | 0.252 | S | S | * | . | P | Polyproline II helix | trans | -55.1 | 133.5 | 174.3 | 56.9 | 0 | 0 | 0 | 0 | 111.5 | I176 | S174-I176 PolarHBondContact O-N 3.02Š|
| 175 | P | 84.7 | Confident | 80.2 | Confident | 68 Ų | 68 | 45.2 Ų | 45.2 | 44% | 0.442 | 25% | 0.253 | S | S | . | . | P | Polyproline II helix | trans | -63.5 | 130.4 | -177.9 | 24.2 | -32.6 | 0 | 0 | 0 | 111.8 | F167 L168 V169 | F167-P175 HydrophobicContact CB-CB 4.42Å; F167-P175 HydrophobicContact CD1-CB 4.35Å; L168-P175 WeakPolarHBondContact O-CA 3.45Å; V169-P175 HydrophobicContact CG2-CB 3.64Å |
| 176 | I | 85.7 | Confident | 79.9 | Confident | 26 Ų | 26 | 45.3 Ų | 45.3 | 13% | 0.133 | 25% | 0.253 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.2 | 119.4 | 169.8 | -61.7 | 168.1 | 0 | 0 | 0 | 108.2 | K138 I140 F167 L168 S174 L178 | K138-I176 HydrophobicContact CB-CD1 4.5Å; K138-I176 HydrophobicContact CB-CG2 3.82Å; K138-I176 HydrophobicContact CD-CG2 4.13Å; K138-I176 HydrophobicContact CG-CG2 3.57Å; I140-I176 HydrophobicContact CB-CD1 3.75Å; I140-I176 HydrophobicContact CD1-CD1 3.57Å; I140-I176 HydrophobicContact CD1-CG1 4.2Å; I140-I176 HydrophobicContact CG1-CD1 4.24Å; I140-I176 HydrophobicContact CG2-CD1 3.72Å; F167-I176 CarbonylContact C-O 3.58Å; F167-I176 WeakPolarHBondContact CA-O 3.25Å; L168-I176 PolarHBondContact N-O 2.95Å; L168-I176 PolarHBondContact O-N 3.39Å; S174-I176 PolarHBondContact O-N 3.02Å; I176-L178 HydrophobicContact CG2-CD2 4.18Å; I176-L178 HydrophobicContact CG2-CG 4.34Å |
| 177 | K | 84.6 | Confident | 79.5 | Confident | 95 Ų | 95 | 45.5 Ų | 45.5 | 41% | 0.413 | 25% | 0.254 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.6 | 127.7 | 170.7 | -176.7 | 168.2 | 166.8 | 160.6 | 0 | 110.2 | D165 F167 N179 | D165-K177 WeakPolarHBondContact OD1-CE 3.43Å; D165-K177 IonicContact OD1-NZ 3.71Å; D165-K177 PolarHBondContact OD1-NZ 3.34Å; D165-K177 WeakPolarHBondContact OD2-CE 3.46Å; D165-K177 IonicContact OD2-NZ 3.99Å; D165-K177 PolarHBondContact OD2-NZ 3.04Å; F167-K177 HydrophobicContact CD1-CB 4.05Å; F167-K177 HydrophobicContact CD1-CG 4.35Å; F167-K177 HydrophobicContact CE1-CB 3.91Å; F167-K177 HydrophobicContact CE1-CD 3.83Å; F167-K177 HydrophobicContact CE1-CG 3.9Å; F167-K177 HydrophobicContact CZ-CD 4.12Å; F167-K177 HydrophobicContact CZ-CG 4.41Å; K177-N179 WeakPolarHBondContact CE-OD1 3.49Å |
| 178 | L | 83.4 | Confident | 79.3 | Confident | 2 Ų | 2 | 44 Ų | 44 | 1% | 0.01 | 25% | 0.249 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.7 | 114.4 | 174.6 | -60.4 | 167.5 | 0 | 0 | 0 | 107.7 | L107 V118 L120 K138 I166 I176 P180 | L107-L178 HydrophobicContact CD1-CD1 3.72Å; V118-L178 HydrophobicContact CB-CD1 4.49Å; V118-L178 HydrophobicContact CG1-CD1 3.6Å; L120-L178 HydrophobicContact CD2-CB 4.01Å; K138-L178 HydrophobicContact CB-CD2 4.3Å; K138-L178 HydrophobicContact CG-CD2 3.73Å; I166-L178 HydrophobicContact CB-CB 4.21Å; I166-L178 HydrophobicContact CG2-CD1 4.37Å; I166-L178 PolarHBondContact N-O 3.12Å; I166-L178 PolarHBondContact O-N 3.35Å; I176-L178 HydrophobicContact CG2-CD2 4.18Å; I176-L178 HydrophobicContact CG2-CG 4.34Å; L178-P180 WeakPolarHBondContact O-CD 3.44Å |
| 179 | N | 71.7 | Confident | 79.2 | Confident | 44 Ų | 44 | 44 Ų | 44 | 24% | 0.235 | 25% | 0.249 | C | C | . | . | trans | -94.3 | 118.2 | 176.4 | -72.5 | -5.2 | 0 | 0 | 0 | 109.2 | K177 | K177-N179 WeakPolarHBondContact CE-OD1 3.49Š| ||
| 180 | P | 65.3 | Low | 79 | Confident | 6 Ų | 6 | 47.2 Ų | 47.2 | 4% | 0.039 | 26% | 0.262 | C | S | . | . | S | Bend | trans | -75.6 | -43.6 | 171.1 | 16.7 | -14.5 | 0 | 0 | 0 | 111.2 | L120 N122 N164 I166 L178 I187 | L120-P180 HydrophobicContact CD2-CB 3.64Å; L120-P180 HydrophobicContact CD2-CG 4.02Å; L120-P180 HydrophobicContact CG-CB 4.23Å; N122-P180 PolarHBondContact ND2-O 3.47Å; N164-P180 WeakPolarHBondContact O-CD 3.5Å; I166-P180 HydrophobicContact CD1-CG 4.33Å; L178-P180 WeakPolarHBondContact O-CD 3.44Å; P180-I187 HydrophobicContact CB-CD1 4.41Å; P180-I187 HydrophobicContact CG-CD1 3.21Å; P180-I187 HydrophobicContact CG-CG1 4.43Å |
| 181 | L | 62.8 | Low | 78.9 | Confident | 17 Ų | 17 | 48 Ų | 48 | 9% | 0.089 | 27% | 0.266 | C | S | . | . | trans | -145.6 | 134.7 | -170 | -71.1 | 143.3 | 0 | 0 | 0 | 109.8 | S93 L95 F124 N164 Q183 | S93-L181 WeakPolarHBondContact OG-CD1 3.23Å; L95-L181 HydrophobicContact CD2-CB 4.41Å; L95-L181 HydrophobicContact CD2-CD1 4.07Å; L95-L181 HydrophobicContact CG-CD1 4.48Å; F124-L181 HydrophobicContact CZ-CD2 4.15Å; N164-L181 PolarHBondContact ND2-O 3.21Å; L181-Q183 PolarHBondContact O-N 2.94Å | ||
| 182 | D | 61.2 | Low | 79 | Confident | 131 Ų | 131 | 47 Ų | 47 | 70% | 0.701 | 26% | 0.26 | S | S | * | . | S | Bend | trans | -71 | 13.7 | 176.3 | -70.3 | -33.8 | 0 | 0 | 0 | 113.9 | ||
| 183 | Q | 60.8 | Low | 79.3 | Confident | 66 Ų | 66 | 43.7 Ų | 43.7 | 31% | 0.308 | 23% | 0.234 | S | C | . | . | S | Bend | trans | -121.8 | 147.7 | -172.7 | -66.9 | -171.9 | -16.2 | 0 | 0 | 111.8 | L95 N164 L181 G185 | L95-Q183 HydrophobicContact CD2-CB 3.87Å; N164-Q183 PolarHBondContact ND2-O 2.81Å; L181-Q183 PolarHBondContact O-N 2.94Å; Q183-G185 PolarHBondContact O-N 3.17Å; Q183-G185 VanDerWaalsContact O-N 3.14Å |
| 184 | D | 64.7 | Low | 79.7 | Confident | 109 Ų | 109 | 41.1 Ų | 41.1 | 58% | 0.583 | 22% | 0.222 | S | C | * | . | trans | -59.6 | 115.2 | 176.2 | -75.4 | -40.1 | 0 | 0 | 0 | 111.9 | T96 | T96-D184 PolarHBondContact N-O 3.15Å; T96-D184 PolarHBondContact OG1-O 3.36Å | ||
| 185 | G | 71.3 | Confident | 80.1 | Confident | 11 Ų | 11 | 36.6 Ų | 36.6 | 11% | 0.113 | 19% | 0.191 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -147 | 168.3 | 179.8 | 0 | 0 | 0 | 0 | 0 | 112.8 | I94 K163 Q183 | I94-G185 CarbonylContact O-C 3.53Å; I94-G185 WeakPolarHBondContact O-CA 3.17Å; K163-G185 CarbonylContact C-O 3.56Å; Q183-G185 PolarHBondContact O-N 3.17Å; Q183-G185 VanDerWaalsContact O-N 3.14Å |
| 186 | L | 78 | Confident | 80.1 | Confident | 44 Ų | 44 | 38.2 Ų | 38.2 | 23% | 0.23 | 19% | 0.188 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109 | 125.2 | 168.2 | -177.5 | 73.3 | 0 | 0 | 0 | 108.6 | I69 S93 I94 T188 | I69-L186 HydrophobicContact CG1-CD1 4.36Å; S93-L186 WeakPolarHBondContact CA-O 3.31Å; I94-L186 PolarHBondContact N-O 2.98Å; I94-L186 PolarHBondContact O-N 3.08Å; L186-T188 HydrophobicContact CD2-CG2 4.26Å; L186-T188 HydrophobicContact CG-CG2 4.28Å |
| 187 | I | 82.8 | Confident | 79.7 | Confident | 4 Ų | 4 | 37.7 Ų | 37.7 | 2% | 0.021 | 19% | 0.187 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.4 | 131.3 | 174.7 | -55.8 | 171.2 | 0 | 0 | 0 | 108.8 | L91 T92 I161 K163 N164 I166 P180 | L91-I187 HydrophobicContact CB-CG2 3.97Å; L91-I187 HydrophobicContact CD1-CG2 4.19Å; L91-I187 HydrophobicContact CG-CG2 4.46Å; T92-I187 WeakPolarHBondContact O-CA 3.5Å; I161-I187 HydrophobicContact CD1-CG2 4.41Å; I161-I187 HydrophobicContact CG2-CB 3.86Å; I161-I187 HydrophobicContact CG2-CG2 4Å; K163-I187 PolarHBondContact O-N 3.4Å; N164-I187 WeakPolarHBondContact O-CD1 3.08Å; I166-I187 HydrophobicContact CD1-CD1 4.41Å; I166-I187 HydrophobicContact CG1-CD1 4.26Å; P180-I187 HydrophobicContact CB-CD1 4.41Å; P180-I187 HydrophobicContact CG-CD1 3.21Å; P180-I187 HydrophobicContact CG-CG1 4.43Å |
| 188 | T | 86.6 | Confident | 78.8 | Confident | 18 Ų | 18 | 35.2 Ų | 35.2 | 11% | 0.11 | 18% | 0.178 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.5 | 142.5 | 172.9 | 57.4 | 0 | 0 | 0 | 0 | 110 | L91 T92 L186 K190 | L91-T188 WeakPolarHBondContact CA-O 3.35Å; T92-T188 PolarHBondContact N-O 2.72Å; T92-T188 PolarHBondContact O-N 2.96Å; L186-T188 HydrophobicContact CD2-CG2 4.26Å; L186-T188 HydrophobicContact CG-CG2 4.28Å; T188-K190 PolarHBondContact O-N 2.79Å |
| 189 | V | 89.6 | Confident | 77.8 | Confident | 3 Ų | 3 | 37.5 Ų | 37.5 | 2% | 0.018 | 19% | 0.19 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -70 | 127 | 171.5 | -173.8 | 0 | 0 | 0 | 0 | 109 | F64 E71 I73 F89 L91 I161 | F64-V189 WeakPolarHBondContact CB-O 3.19Å; F64-V189 HydrophobicContact CD2-CB 4.22Å; F64-V189 HydrophobicContact CD2-CG1 3.52Å; F64-V189 HydrophobicContact CE2-CG1 3.72Å; F64-V189 HydrophobicContact CG-CG1 4.31Å; E71-V189 WeakPolarHBondContact OE2-CG2 2.91Å; E71-V189 PolarHBondContact OE2-N 2.81Å; I73-V189 HydrophobicContact CD1-CB 4.41Å; I73-V189 HydrophobicContact CD1-CG1 4.15Å; I73-V189 HydrophobicContact CD1-CG2 3.89Å; F89-V189 HydrophobicContact CD1-CG1 3.88Å; L91-V189 HydrophobicContact CD2-CB 4.31Å; L91-V189 HydrophobicContact CD2-CG1 4.46Å; L91-V189 HydrophobicContact CD2-CG2 3.84Å; I161-V189 HydrophobicContact CD1-CG2 3.37Å |
| 190 | K | 89.4 | Confident | 76.7 | Confident | 85 Ų | 85 | 41.9 Ų | 41.9 | 37% | 0.37 | 21% | 0.213 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -99.3 | -47.5 | 174 | -174.7 | -175.3 | 164.9 | -166.7 | 0 | 110.7 | F64 E90 T188 | F64-K190 PolarHBondContact N-O 2.92Å; E90-K190 HydrophobicContact CG-CB 4.38Å; E90-K190 HydrophobicContact CG-CD 4.16Å; E90-K190 WeakPolarHBondContact O-CB 3.16Å; E90-K190 PolarHBondContact O-N 3.36Å; E90-K190 WeakPolarHBondContact OE1-CD 3.31Å; E90-K190 WeakPolarHBondContact OE1-CE 3.26Å; E90-K190 IonicContact OE1-NZ 3.23Å; E90-K190 PolarHBondContact OE1-NZ 2.8Å; E90-K190 IonicContact OE2-NZ 2.67Å; T188-K190 PolarHBondContact O-N 2.79Å |
| 191 | I | 91 | Very high | 75.6 | Confident | 17 Ų | 17 | 44.9 Ų | 44.9 | 9% | 0.087 | 23% | 0.231 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -141.3 | 140.3 | -179.2 | -43.2 | -178 | 0 | 0 | 0 | 110.1 | F62 H63 F89 E90 H193 | F62-I191 CarbonylContact O-C 3.56Å; F62-I191 VanDerWaalsContact O-CA 3.32Å; F62-I191 WeakPolarHBondContact O-CA 3.4Å; H63-I191 WeakPolarHBondContact ND1-CD1 3.49Å; H63-I191 WeakPolarHBondContact ND1-CG1 3.42Å; F89-I191 CarbonylContact C-O 3.57Å; F89-I191 VanDerWaalsContact CA-O 3.27Å; F89-I191 WeakPolarHBondContact CA-O 3.49Å; E90-I191 HydrophobicContact CB-CB 4.04Å; E90-I191 HydrophobicContact CB-CG1 4.26Å; E90-I191 PolarHBondContact N-O 3.31Å; E90-I191 PolarHBondContact O-N 3.07Å; E90-I191 VanDerWaalsContact O-N 3.16Å; E90-I191 WeakPolarHBondContact OE2-CD1 3.39Å; I191-H193 VanDerWaalsContact CG2-NE2 3.32Å; I191-H193 WeakPolarHBondContact CG2-NE2 3.46Å |
| 192 | M | 93 | Very high | 74.6 | Confident | 0 Ų | 0 | 47.2 Ų | 47.2 | 0% | 0 | 25% | 0.25 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.9 | 123.4 | 167.9 | 173.3 | -177.5 | 179.4 | 0 | 0 | 109.1 | A61 F62 F64 I73 F75 F89 L194 I226 | A61-M192 CarbonylContact C-O 3.57Å; A61-M192 VanDerWaalsContact CA-O 3.31Å; A61-M192 WeakPolarHBondContact CA-O 3.34Å; F62-M192 HydrophobicContact CB-CB 4.39Å; F62-M192 HydrophobicContact CD2-CB 4.47Å; F62-M192 HydrophobicContact CD2-CG 4.32Å; F62-M192 HydrophobicContact CD2-SD 4.19Å; F62-M192 PolarHBondContact N-O 2.92Å; F62-M192 PolarHBondContact O-N 2.81Å; F64-M192 HydrophobicContact CE2-CB 3.58Å; F64-M192 HydrophobicContact CZ-CB 4.16Å; F64-M192 HydrophobicContact CZ-SD 4.4Å; I73-M192 HydrophobicContact CD1-SD 4.4Å; I73-M192 HydrophobicContact CG2-CE 4.03Å; I73-M192 HydrophobicContact CG2-SD 3.82Å; F75-M192 HydrophobicContact CD1-CE 3.56Å; F75-M192 HydrophobicContact CE1-CE 3.71Å; F75-M192 HydrophobicContact CG-CE 4.35Å; F89-M192 HydrophobicContact CD1-CB 3.67Å; F89-M192 HydrophobicContact CD1-CG 3.86Å; F89-M192 HydrophobicContact CE1-CB 3.57Å; F89-M192 HydrophobicContact CE1-CE 4.25Å; F89-M192 HydrophobicContact CE1-CG 3.32Å; F89-M192 HydrophobicContact CE1-SD 3.54Å; F89-M192 VanDerWaalsContact CE1-SD 3.54Å; F89-M192 HydrophobicContact CZ-CE 4.01Å; F89-M192 HydrophobicContact CZ-CG 3.83Å; F89-M192 HydrophobicContact CZ-SD 3.92Å; M192-L194 HydrophobicContact CE-CD1 3.9Å; M192-L194 HydrophobicContact CE-CD2 3.44Å; M192-L194 VanDerWaalsContact CE-CD2 3.44Å; M192-L194 HydrophobicContact CE-CG 3.74Å; M192-I226 HydrophobicContact CE-CG2 4.29Å |
| 193 | H | 92.2 | Very high | 73.9 | Confident | 23 Ų | 23 | 50.1 Ų | 50.1 | 11% | 0.106 | 26% | 0.256 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.9 | 137.7 | 168.2 | -70 | -91.6 | 0 | 0 | 0 | 110.3 | A60 A61 F87 S88 I191 L198 | A60-H193 CarbonylContact O-C 3.52Å; A60-H193 WeakPolarHBondContact O-CA 3.36Å; A61-H193 VanDerWaalsContact CB-CE1 3.44Å; A61-H193 WeakPolarHBondContact CB-CE1 3.45Å; A61-H193 WeakPolarHBondContact CB-ND1 3.45Å; F87-H193 CarbonylContact C-O 3.53Å; F87-H193 VanDerWaalsContact CA-O 3.22Å; F87-H193 WeakPolarHBondContact CA-O 3.41Å; S88-H193 PolarHBondContact N-O 3.1Å; S88-H193 PolarHBondContact O-N 3.42Å; I191-H193 VanDerWaalsContact CG2-NE2 3.32Å; I191-H193 WeakPolarHBondContact CG2-NE2 3.46Å; H193-L198 WeakPolarHBondContact CD2-CD1 2.91Å; H193-L198 WeakPolarHBondContact NE2-CD1 3.42Å |
| 194 | L | 93.3 | Very high | 73.2 | Confident | 0 Ų | 0 | 54 Ų | 54 | 0% | 0 | 27% | 0.274 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.9 | 129.2 | 170.1 | -66.9 | -176.8 | 0 | 0 | 0 | 110.1 | L52 L54 H59 A60 F62 F87 M192 F223 I226 | L52-L194 HydrophobicContact CD2-CD1 4.11Å; L54-L194 HydrophobicContact CD1-CB 4.32Å; H59-L194 WeakPolarHBondContact CA-O 3.43Å; H59-L194 WeakPolarHBondContact CB-O 3.44Å; A60-L194 HydrophobicContact CB-CB 4.36Å; A60-L194 PolarHBondContact N-O 3.44Å; A60-L194 PolarHBondContact O-N 3.04Å; F62-L194 HydrophobicContact CE2-CD1 4.1Å; F62-L194 HydrophobicContact CE2-CG 4.49Å; F87-L194 HydrophobicContact CB-CD2 3.64Å; M192-L194 HydrophobicContact CE-CD1 3.9Å; M192-L194 HydrophobicContact CE-CD2 3.44Å; M192-L194 VanDerWaalsContact CE-CD2 3.44Å; M192-L194 HydrophobicContact CE-CG 3.74Å; L194-F223 HydrophobicContact CB-CD2 4.49Å; L194-F223 HydrophobicContact CB-CE2 4.14Å; L194-F223 HydrophobicContact CB-CZ 4.37Å; L194-F223 HydrophobicContact CD1-CB 4.48Å; L194-F223 HydrophobicContact CD1-CD1 4.08Å; L194-F223 HydrophobicContact CD1-CD2 4.23Å; L194-F223 HydrophobicContact CD1-CE1 4.32Å; L194-F223 HydrophobicContact CD1-CE2 4.47Å; L194-F223 HydrophobicContact CD1-CG 4.03Å; L194-F223 HydrophobicContact CD2-CD1 4.46Å; L194-F223 HydrophobicContact CD2-CE1 3.91Å; L194-F223 HydrophobicContact CD2-CZ 3.95Å; L194-I226 HydrophobicContact CD1-CD1 3.54Å |
| 195 | G | 89.2 | Confident | 72.4 | Confident | 0 Ų | 0 | 51 Ų | 51 | 0% | 0 | 26% | 0.26 | C | S | . | . | S | Bend | trans | 85.5 | 2.6 | 174.5 | 0 | 0 | 0 | 0 | 0 | 117.7 | M86 N218 F219 | M86-G195 PolarHBondContact O-N 3.3Å; G195-N218 WeakPolarHBondContact O-CB 3.4Å; G195-F219 PolarHBondContact O-N 2.77Å; G195-F219 VanDerWaalsContact O-N 3.08Å |
| 196 | R | 85.4 | Confident | 71.3 | Confident | 101 Ų | 101 | 52.1 Ų | 52.1 | 38% | 0.381 | 26% | 0.262 | S | S | . | . | S | Bend | trans | -152.1 | 156.9 | 174.6 | -170.3 | 173.9 | 175.2 | 174.3 | -0.8 | 110.5 | H59 S88 | H59-R196 HydrophobicContact CB-CB 3.89Å; S88-R196 PolarHBondContact OG-O 3.42Å |
| 197 | S | 77 | Confident | 70.1 | Confident | 16 Ų | 16 | 53.6 Ų | 53.6 | 11% | 0.112 | 27% | 0.273 | C | S | . | . | trans | -82.7 | 141.2 | 171.2 | 175.9 | 0 | 0 | 0 | 0 | 111.8 | L199 | S197-L199 VanDerWaalsContact C-N 3.32Å; S197-L199 PolarHBondContact OG-N 3.02Å | ||
| 198 | L | 66.9 | Low | 68.8 | Low | 42 Ų | 42 | 60.7 Ų | 60.7 | 22% | 0.22 | 31% | 0.306 | C | S | . | . | S | Bend | trans | -69 | -25.1 | 172.7 | -171.5 | 85.4 | 0 | 0 | 0 | 113.4 | S88 E90 Y106 H193 N200 | S88-L198 PolarHBondContact OG-N 2.9Å; E90-L198 HydrophobicContact CB-CD2 3.85Å; E90-L198 HydrophobicContact CG-CD2 4.28Å; Y106-L198 HydrophobicContact CD1-CD2 3.52Å; Y106-L198 HydrophobicContact CE1-CD2 3.25Å; H193-L198 WeakPolarHBondContact CD2-CD1 2.91Å; H193-L198 WeakPolarHBondContact NE2-CD1 3.42Å; L198-N200 VanDerWaalsContact C-N 3.34Å; L198-N200 PolarHBondContact O-N 3.2Å |
| 199 | L | 61.1 | Low | 67.3 | Low | 51 Ų | 51 | 64.3 Ų | 64.3 | 27% | 0.267 | 32% | 0.32 | S | S | . | . | trans | -71.4 | 85.9 | -173.5 | -68.4 | 167.8 | 0 | 0 | 0 | 110.8 | Y106 S197 F206 | Y106-L199 HydrophobicContact CD2-CD2 4.45Å; S197-L199 VanDerWaalsContact C-N 3.32Å; S197-L199 PolarHBondContact OG-N 3.02Å; L199-F206 HydrophobicContact CB-CD2 3.97Å; L199-F206 HydrophobicContact CB-CE2 4.3Å; L199-F206 HydrophobicContact CD1-CD2 3.64Å; L199-F206 HydrophobicContact CD1-CE2 3.81Å; L199-F206 HydrophobicContact CG-CD2 4.45Å | ||
| 200 | N | 49 | Very low | 65.9 | Low | 136 Ų | 136 | 64.4 Ų | 64.4 | 73% | 0.727 | 32% | 0.32 | S | S | * | . | trans | -79.8 | 3.3 | 163.4 | -84 | -14.6 | 0 | 0 | 0 | 112.1 | L198 | L198-N200 VanDerWaalsContact C-N 3.34Å; L198-N200 PolarHBondContact O-N 3.2Å | ||
| 201 | T | 43.2 | Very low | 64.1 | Low | 68 Ų | 68 | 66 Ų | 66 | 42% | 0.417 | 34% | 0.339 | S | S | . | . | S | Bend | trans | -61.4 | 143.2 | 171 | 51.5 | 0 | 0 | 0 | 0 | 109.3 | K203 | T201-K203 PolarHBondContact O-N 2.82Š|
| 202 | S | 42 | Very low | 62.4 | Low | 67 Ų | 67 | 68.4 Ų | 68.4 | 47% | 0.469 | 36% | 0.358 | S | S | . | . | trans | -37 | 139.5 | -173.3 | 58.6 | 0 | 0 | 0 | 0 | 112.8 | E204 T205 | S202-E204 PolarHBondContact O-N 2.9Å; S202-T205 PolarHBondContact O-N 2.79Å; S202-T205 PolarHBondContact O-OG1 3.25Å; S202-T205 PolarHBondContact OG-OG1 2.86Å | ||
| 203 | K | 46.2 | Very low | 60.6 | Low | 191 Ų | 191 | 68.8 Ų | 68.8 | 83% | 0.83 | 36% | 0.361 | S | S | * | . | H | α-helix | trans | -40.6 | -34.7 | 176.8 | -95.9 | 179.8 | 172 | -179.2 | 0 | 113.1 | T201 T205 F206 T207 | T201-K203 PolarHBondContact O-N 2.82Å; K203-T205 PolarHBondContact O-N 2.88Å; K203-F206 PolarHBondContact O-N 2.75Å; K203-T207 PolarHBondContact O-N 2.81Å; K203-T207 PolarHBondContact O-OG1 2.89Å |
| 204 | E | 46.1 | Very low | 59.1 | Low | 148 Ų | 148 | 71 Ų | 71 | 69% | 0.692 | 39% | 0.389 | S | S | * | . | H | α-helix | trans | -56.5 | -42.8 | 177.4 | -63.8 | 177.5 | 163.4 | 0 | 0 | 114.8 | S202 T207 Q208 | S202-E204 PolarHBondContact O-N 2.9Å; E204-T207 WeakPolarHBondContact CA-OG1 3.4Å; E204-T207 PolarHBondContact O-OG1 3.08Å; E204-Q208 PolarHBondContact O-N 2.82Å |
| 205 | T | 47 | Very low | 58 | Low | 46 Ų | 46 | 77.5 Ų | 77.5 | 28% | 0.282 | 42% | 0.424 | S | S | . | . | H | α-helix | trans | -72.2 | -39.6 | 178.8 | 13.2 | 0 | 0 | 0 | 0 | 111 | S202 K203 T207 Q208 F209 | S202-T205 PolarHBondContact O-N 2.79Å; S202-T205 PolarHBondContact O-OG1 3.25Å; S202-T205 PolarHBondContact OG-OG1 2.86Å; K203-T205 PolarHBondContact O-N 2.88Å; T205-T207 PolarHBondContact O-N 2.86Å; T205-Q208 PolarHBondContact O-N 2.78Å; T205-F209 HydrophobicContact CG2-CE2 4.22Å; T205-F209 WeakPolarHBondContact O-CD2 3.38Å; T205-F209 PolarHBondContact O-N 2.85Å |
| 206 | F | 48.7 | Very low | 57.6 | Low | 35 Ų | 35 | 78.7 Ų | 78.7 | 15% | 0.154 | 43% | 0.43 | C | S | . | . | H | α-helix | trans | -63.5 | -41.3 | 178.5 | -159.7 | -107.1 | 0 | 0 | 0 | 112 | L108 L199 K203 F209 I210 A213 | L108-F206 HydrophobicContact CD2-CE2 4.12Å; L108-F206 HydrophobicContact CD2-CZ 4.06Å; L199-F206 HydrophobicContact CB-CD2 3.97Å; L199-F206 HydrophobicContact CB-CE2 4.3Å; L199-F206 HydrophobicContact CD1-CD2 3.64Å; L199-F206 HydrophobicContact CD1-CE2 3.81Å; L199-F206 HydrophobicContact CG-CD2 4.45Å; K203-F206 PolarHBondContact O-N 2.75Å; F206-F209 PolarHBondContact O-N 2.84Å; F206-I210 HydrophobicContact CE2-CD1 4.44Å; F206-I210 HydrophobicContact CZ-CD1 4.27Å; F206-I210 PolarHBondContact O-N 2.85Å; F206-I210 VanDerWaalsContact O-N 3.15Å; F206-A213 HydrophobicContact CD1-CB 3.67Å; F206-A213 HydrophobicContact CE1-CB 3.48Å; F206-A213 VanDerWaalsContact CE1-CB 3.48Å |
| 207 | T | 52.2 | Low | 57.7 | Low | 75 Ų | 75 | 76.5 Ų | 76.5 | 46% | 0.46 | 43% | 0.429 | S | S | . | . | H | α-helix | trans | -69.9 | -28.5 | 175.9 | 45.8 | 0 | 0 | 0 | 0 | 113.9 | K203 E204 T205 | K203-T207 PolarHBondContact O-N 2.81Å; K203-T207 PolarHBondContact O-OG1 2.89Å; E204-T207 WeakPolarHBondContact CA-OG1 3.4Å; E204-T207 PolarHBondContact O-OG1 3.08Å; T205-T207 PolarHBondContact O-N 2.86Å |
| 208 | Q | 55.9 | Low | 58.3 | Low | 153 Ų | 153 | 78.3 Ų | 78.3 | 72% | 0.715 | 44% | 0.437 | S | S | * | . | H | α-helix | trans | -67.2 | -35 | 175.7 | -96.1 | -175.9 | -16.6 | 0 | 0 | 112.8 | E204 T205 | E204-Q208 PolarHBondContact O-N 2.82Å; T205-Q208 PolarHBondContact O-N 2.78Å |
| 209 | F | 55.7 | Low | 59.5 | Low | 93 Ų | 93 | 76.3 Ų | 76.3 | 41% | 0.408 | 43% | 0.426 | S | S | . | . | H | α-helix | trans | -92.6 | -24.3 | -176.4 | -66.8 | -67 | 0 | 0 | 0 | 113.9 | F121 T205 F206 | F121-F209 HydrophobicContact CD1-CB 4.34Å; F121-F209 HydrophobicContact CD1-CD1 4.43Å; F121-F209 HydrophobicContact CD1-CG 4.45Å; F121-F209 HydrophobicContact CE1-CB 3.8Å; F121-F209 HydrophobicContact CE1-CG 4.37Å; F121-F209 HydrophobicContact CZ-CB 4.37Å; T205-F209 HydrophobicContact CG2-CE2 4.22Å; T205-F209 WeakPolarHBondContact O-CD2 3.38Å; T205-F209 PolarHBondContact O-N 2.85Å; F206-F209 PolarHBondContact O-N 2.84Å |
| 210 | I | 59.9 | Low | 61 | Low | 5 Ų | 5 | 76.2 Ų | 76.2 | 3% | 0.026 | 42% | 0.422 | C | S | . | . | trans | -135 | 93.1 | 179.3 | -50.5 | 174 | 0 | 0 | 0 | 108.6 | L108 Y110 F121 F206 S212 A213 | L108-I210 HydrophobicContact CD2-CD1 3.48Å; L108-I210 VanDerWaalsContact CD2-CD1 3.48Å; Y110-I210 HydrophobicContact CE1-CD1 4.23Å; F121-I210 HydrophobicContact CE2-CD1 4.48Å; F121-I210 HydrophobicContact CZ-CD1 4.05Å; F121-I210 HydrophobicContact CZ-CG1 3.98Å; F206-I210 HydrophobicContact CE2-CD1 4.44Å; F206-I210 HydrophobicContact CZ-CD1 4.27Å; F206-I210 PolarHBondContact O-N 2.85Å; F206-I210 VanDerWaalsContact O-N 3.15Å; I210-S212 PolarHBondContact O-N 3.29Å; I210-S212 VanDerWaalsContact O-N 3.14Å; I210-A213 HydrophobicContact CB-CB 3.77Å; I210-A213 HydrophobicContact CG2-CB 3.72Å; I210-A213 VanDerWaalsContact O-CB 3.26Å; I210-A213 WeakPolarHBondContact O-CB 3.42Å; I210-A213 PolarHBondContact O-N 2.91Å; I210-A213 VanDerWaalsContact O-N 3.08Å | ||
| 211 | P | 51.6 | Low | 63.1 | Low | 119 Ų | 119 | 69.7 Ų | 69.7 | 77% | 0.773 | 39% | 0.388 | S | S | * | . | G | 310 helix | trans | -56.5 | -32.9 | -179.3 | -24.1 | 32.7 | 0 | 0 | 0 | 113 | A213 | P211-A213 VanDerWaalsContact C-N 3.34Å; P211-A213 PolarHBondContact O-N 3.06Å |
| 212 | S | 55.8 | Low | 65.4 | Low | 68 Ų | 68 | 66.5 Ų | 66.5 | 48% | 0.476 | 37% | 0.368 | S | S | . | . | G | 310 helix | trans | -83.4 | -2.5 | -177.7 | -29.1 | 0 | 0 | 0 | 0 | 114.4 | I210 G214 | I210-S212 PolarHBondContact O-N 3.29Å; I210-S212 VanDerWaalsContact O-N 3.14Å; S212-G214 VanDerWaalsContact C-N 3.27Å; S212-G214 PolarHBondContact O-N 3.41Å |
| 213 | A | 54.5 | Low | 67.9 | Low | 8 Ų | 8 | 63.3 Ų | 63.3 | 7% | 0.066 | 35% | 0.346 | C | S | . | . | G | 310 helix | trans | -68.2 | -20 | -170.6 | 0 | 0 | 0 | 0 | 0 | 114.9 | F206 I210 P211 N215 L216 | F206-A213 HydrophobicContact CD1-CB 3.67Å; F206-A213 HydrophobicContact CE1-CB 3.48Å; F206-A213 VanDerWaalsContact CE1-CB 3.48Å; I210-A213 HydrophobicContact CB-CB 3.77Å; I210-A213 HydrophobicContact CG2-CB 3.72Å; I210-A213 VanDerWaalsContact O-CB 3.26Å; I210-A213 WeakPolarHBondContact O-CB 3.42Å; I210-A213 PolarHBondContact O-N 2.91Å; I210-A213 VanDerWaalsContact O-N 3.08Å; P211-A213 VanDerWaalsContact C-N 3.34Å; P211-A213 PolarHBondContact O-N 3.06Å; A213-N215 PolarHBondContact O-N 2.87Å; A213-L216 HydrophobicContact CB-CD1 4.49Å; A213-L216 PolarHBondContact O-N 3.49Å; A213-L216 VanDerWaalsContact O-N 3.17Å |
| 214 | G | 60.4 | Low | 70.1 | Confident | 68 Ų | 68 | 55.7 Ų | 55.7 | 70% | 0.701 | 31% | 0.313 | S | S | * | . | G | 310 helix | trans | -56.7 | -23.2 | -175 | 0 | 0 | 0 | 0 | 0 | 114.9 | S212 | S212-G214 VanDerWaalsContact C-N 3.27Å; S212-G214 PolarHBondContact O-N 3.41Å |
| 215 | N | 70.4 | Confident | 72.1 | Confident | 138 Ų | 138 | 50.4 Ų | 50.4 | 74% | 0.738 | 29% | 0.293 | S | S | * | . | G | 310 helix | trans | -106 | 4.2 | -176.1 | -71.8 | -10.7 | 0 | 0 | 0 | 114.7 | A213 | A213-N215 PolarHBondContact O-N 2.87Š|
| 216 | L | 81.3 | Confident | 74.3 | Confident | 24 Ų | 24 | 48.3 Ų | 48.3 | 13% | 0.126 | 28% | 0.28 | C | S | . | . | P | Polyproline II helix | trans | -82.5 | 133.2 | -179.5 | -62 | 175.2 | 0 | 0 | 0 | 111.1 | N83 I85 Y110 L111 L112 A213 | N83-L216 HydrophobicContact CB-CD2 4.14Å; I85-L216 HydrophobicContact CG1-CB 4.24Å; I85-L216 HydrophobicContact CG1-CD1 4.44Å; Y110-L216 HydrophobicContact CD2-CD1 3.52Å; Y110-L216 HydrophobicContact CD2-CD2 3.93Å; Y110-L216 HydrophobicContact CD2-CG 4.4Å; Y110-L216 HydrophobicContact CE2-CD1 3.91Å; Y110-L216 HydrophobicContact CG-CD1 3.91Å; L111-L216 WeakPolarHBondContact O-CD2 3.32Å; L112-L216 HydrophobicContact CD1-CD2 4.4Å; A213-L216 HydrophobicContact CB-CD1 4.49Å; A213-L216 PolarHBondContact O-N 3.49Å; A213-L216 VanDerWaalsContact O-N 3.17Å |
| 217 | T | 87.3 | Confident | 76.4 | Confident | 56 Ų | 56 | 47.3 Ų | 47.3 | 34% | 0.344 | 28% | 0.276 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.7 | 171.9 | 171.1 | 75.2 | 0 | 0 | 0 | 0 | 111.7 | Q81 N83 Q84 I85 | Q81-T217 PolarHBondContact NE2-OG1 3.12Å; N83-T217 PolarHBondContact O-N 2.86Å; Q84-T217 CarbonylContact C-O 3.58Å; Q84-T217 WeakPolarHBondContact CA-O 3.43Å; I85-T217 PolarHBondContact N-O 2.92Å |
| 218 | N | 89.6 | Confident | 78.3 | Confident | 53 Ų | 53 | 43.7 Ų | 43.7 | 28% | 0.283 | 25% | 0.254 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -66 | 158.9 | 165.8 | -67.7 | -20.6 | 0 | 0 | 0 | 111.3 | G56 G195 R220 | G56-N218 WeakPolarHBondContact O-CB 3.37Å; G56-N218 PolarHBondContact O-ND2 2.57Å; G195-N218 WeakPolarHBondContact O-CB 3.4Å; N218-R220 PolarHBondContact O-N 2.77Å |
| 219 | F | 92.7 | Very high | 80 | Confident | 0 Ų | 0 | 40 Ų | 40 | 0% | 0 | 24% | 0.235 | C | C | . | . | P | Polyproline II helix | trans | -65.7 | 132.8 | -177.1 | -169.5 | -102.4 | 0 | 0 | 0 | 112.3 | L54 G56 F77 T79 Q84 I85 M86 G195 F223 | L54-F219 HydrophobicContact CB-CD1 4.11Å; L54-F219 HydrophobicContact CD1-CD1 4.12Å; G56-F219 VanDerWaalsContact CA-O 3.28Å; G56-F219 WeakPolarHBondContact CA-O 3.41Å; G56-F219 PolarHBondContact N-O 3.48Å; F77-F219 HydrophobicContact CB-CZ 4.34Å; F77-F219 HydrophobicContact CD2-CE2 4.34Å; F77-F219 HydrophobicContact CD2-CZ 4.29Å; T79-F219 HydrophobicContact CG2-CE2 3.96Å; T79-F219 HydrophobicContact CG2-CZ 4.3Å; Q84-F219 HydrophobicContact CG-CD2 4.18Å; I85-F219 VanDerWaalsContact O-CB 3.25Å; I85-F219 WeakPolarHBondContact O-CB 3.29Å; I85-F219 PolarHBondContact O-N 2.99Å; M86-F219 HydrophobicContact CB-CD2 4.16Å; M86-F219 HydrophobicContact CB-CE2 4.48Å; M86-F219 HydrophobicContact CG-CD2 3.95Å; M86-F219 HydrophobicContact CG-CE2 3.87Å; G195-F219 PolarHBondContact O-N 2.77Å; G195-F219 VanDerWaalsContact O-N 3.08Å; F219-F223 HydrophobicContact CD1-CD2 4.2Å; F219-F223 AromaticContact CD1-CE2 3.42Å; F219-F223 HydrophobicContact CD1-CE2 3.42Å; F219-F223 VanDerWaalsContact CD1-CE2 3.42Å; F219-F223 HydrophobicContact CD1-CZ 4.11Å; F219-F223 HydrophobicContact CD2-CZ 4.46Å; F219-F223 AromaticContact CE1-CD2 3.77Å; F219-F223 HydrophobicContact CE1-CD2 3.77Å; F219-F223 AromaticContact CE1-CE2 3.23Å; F219-F223 HydrophobicContact CE1-CE2 3.23Å; F219-F223 AromaticContact CE1-CZ 3.81Å; F219-F223 HydrophobicContact CE1-CZ 3.81Å; F219-F223 HydrophobicContact CE2-CE2 4.42Å; F219-F223 HydrophobicContact CE2-CZ 4.22Å; F219-F223 HydrophobicContact CG-CE2 4.08Å; F219-F223 HydrophobicContact CG-CZ 4.41Å; F219-F223 HydrophobicContact CZ-CD2 4.45Å; F219-F223 AromaticContact CZ-CE2 3.8Å; F219-F223 HydrophobicContact CZ-CE2 3.8Å; F219-F223 AromaticContact CZ-CZ 3.88Å; F219-F223 HydrophobicContact CZ-CZ 3.88Å |
| 220 | R | 91 | Very high | 81.5 | Confident | 49 Ų | 49 | 36 Ų | 36 | 19% | 0.185 | 22% | 0.219 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.8 | 113.3 | 168.7 | -174.4 | 176.4 | -178 | -161.3 | -1.3 | 108.9 | L54 T79 N218 K262 L263 K267 | L54-R220 CarbonylContact O-C 3.49Å; L54-R220 VanDerWaalsContact O-CA 3.31Å; L54-R220 WeakPolarHBondContact O-CA 3.29Å; T79-R220 PolarHBondContact OG1-O 3.09Å; N218-R220 PolarHBondContact O-N 2.77Å; R220-K262 PolarHBondContact NH2-O 3Å; R220-L263 HydrophobicContact CG-CB 4.49Å; R220-L263 HydrophobicContact CG-CD2 4.34Å; R220-L263 PolarHBondContact NE-O 3.28Å; R220-K267 VanDerWaalsContact NH1-CG 3.34Å |
| 221 | G | 92.8 | Very high | 82.6 | Confident | 0 Ų | 0 | 38.1 Ų | 38.1 | 0% | 0 | 24% | 0.242 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 160.9 | -159.3 | -175.2 | 0 | 0 | 0 | 0 | 0 | 111.4 | L54 R78 | L54-G221 PolarHBondContact N-O 3.17Å; L54-G221 PolarHBondContact O-N 3.22Å; L54-G221 VanDerWaalsContact O-O 3.13Å; R78-G221 WeakPolarHBondContact O-CA 3.26Å |
| 222 | C | 93.5 | Very high | 84 | Confident | 0 Ų | 0 | 41.8 Ų | 41.8 | 0% | 0 | 25% | 0.249 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.1 | 144.4 | -173.6 | -58.6 | 0 | 0 | 0 | 0 | 110.6 | V51 L52 N53 F77 R78 W154 C259 | V51-C222 HydrophobicContact CG1-CB 3.8Å; L52-C222 CarbonylContact O-C 3.58Å; L52-C222 WeakPolarHBondContact O-CA 3.45Å; N53-C222 PolarHBondContact OD1-SG 3.01Å; F77-C222 CarbonylContact C-O 3.55Å; F77-C222 VanDerWaalsContact CA-O 3.26Å; F77-C222 WeakPolarHBondContact CA-O 3.12Å; R78-C222 PolarHBondContact N-O 3.01Å; R78-C222 PolarHBondContact O-N 3.43Å; W154-C222 HydrophobicContact CH2-CB 3.68Å; W154-C222 HydrophobicContact CZ2-CB 4.32Å; W154-C222 HydrophobicContact CZ3-CB 4.37Å; C222-C259 HydrophobicContact CB-CB 3.72Å; C222-C259 WeakPolarHBondContact CB-SG 3.38Å; C222-C259 WeakPolarHBondContact SG-CA 3.35Å; C222-C259 WeakPolarHBondContact SG-CB 3.38Å; C222-C259 CovalentContact SG-SG 2.03Å; C222-C259 PolarHBondContact SG-SG 2.87Å |
| 223 | F | 94.1 | Very high | 85.4 | Confident | 0 Ų | 0 | 40.8 Ų | 40.8 | 0% | 0 | 24% | 0.238 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.7 | 144.8 | 167.3 | -70.1 | -89.2 | 0 | 0 | 0 | 110 | V51 L52 L54 F75 E76 F77 M86 L194 F219 I226 | V51-F223 CarbonylContact C-O 3.57Å; V51-F223 WeakPolarHBondContact CA-O 3.48Å; L52-F223 HydrophobicContact CB-CB 4.17Å; L52-F223 HydrophobicContact CD2-CB 4.26Å; L52-F223 HydrophobicContact CD2-CD2 4.26Å; L52-F223 PolarHBondContact N-O 3.39Å; L52-F223 PolarHBondContact O-N 3.4Å; L54-F223 HydrophobicContact CD1-CD2 3.93Å; L54-F223 HydrophobicContact CD1-CE2 3.74Å; L54-F223 HydrophobicContact CG-CD2 4.45Å; F75-F223 AromaticContact CD2-CD1 3.87Å; F75-F223 HydrophobicContact CD2-CD1 3.87Å; F75-F223 AromaticContact CD2-CE1 3.86Å; F75-F223 HydrophobicContact CD2-CE1 3.86Å; F75-F223 HydrophobicContact CE2-CD1 4.47Å; F75-F223 HydrophobicContact CE2-CE1 4.01Å; E76-F223 CarbonylContact O-C 3.53Å; E76-F223 WeakPolarHBondContact O-CA 3.41Å; F77-F223 HydrophobicContact CB-CD1 3.67Å; F77-F223 HydrophobicContact CB-CE1 3.64Å; F77-F223 HydrophobicContact CB-CG 4.46Å; F77-F223 HydrophobicContact CB-CZ 4.39Å; M86-F223 HydrophobicContact CE-CE1 3.54Å; M86-F223 HydrophobicContact CE-CZ 4.01Å; M86-F223 HydrophobicContact CG-CE1 4.25Å; M86-F223 HydrophobicContact CG-CZ 3.82Å; L194-F223 HydrophobicContact CB-CD2 4.49Å; L194-F223 HydrophobicContact CB-CE2 4.14Å; L194-F223 HydrophobicContact CB-CZ 4.37Å; L194-F223 HydrophobicContact CD1-CB 4.48Å; L194-F223 HydrophobicContact CD1-CD1 4.08Å; L194-F223 HydrophobicContact CD1-CD2 4.23Å; L194-F223 HydrophobicContact CD1-CE1 4.32Å; L194-F223 HydrophobicContact CD1-CE2 4.47Å; L194-F223 HydrophobicContact CD1-CG 4.03Å; L194-F223 HydrophobicContact CD2-CD1 4.46Å; L194-F223 HydrophobicContact CD2-CE1 3.91Å; L194-F223 HydrophobicContact CD2-CZ 3.95Å; F219-F223 HydrophobicContact CD1-CD2 4.2Å; F219-F223 AromaticContact CD1-CE2 3.42Å; F219-F223 HydrophobicContact CD1-CE2 3.42Å; F219-F223 VanDerWaalsContact CD1-CE2 3.42Å; F219-F223 HydrophobicContact CD1-CZ 4.11Å; F219-F223 HydrophobicContact CD2-CZ 4.46Å; F219-F223 AromaticContact CE1-CD2 3.77Å; F219-F223 HydrophobicContact CE1-CD2 3.77Å; F219-F223 AromaticContact CE1-CE2 3.23Å; F219-F223 HydrophobicContact CE1-CE2 3.23Å; F219-F223 AromaticContact CE1-CZ 3.81Å; F219-F223 HydrophobicContact CE1-CZ 3.81Å; F219-F223 HydrophobicContact CE2-CE2 4.42Å; F219-F223 HydrophobicContact CE2-CZ 4.22Å; F219-F223 HydrophobicContact CG-CE2 4.08Å; F219-F223 HydrophobicContact CG-CZ 4.41Å; F219-F223 HydrophobicContact CZ-CD2 4.45Å; F219-F223 AromaticContact CZ-CE2 3.8Å; F219-F223 HydrophobicContact CZ-CE2 3.8Å; F219-F223 AromaticContact CZ-CZ 3.88Å; F219-F223 HydrophobicContact CZ-CZ 3.88Å; F223-I226 HydrophobicContact CB-CD1 3.95Å; F223-I226 HydrophobicContact CB-CG1 4.33Å |
| 224 | Q | 91.4 | Very high | 87 | Confident | 31 Ų | 31 | 44.6 Ų | 44.6 | 15% | 0.145 | 25% | 0.253 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -141.9 | 174.1 | 171.2 | 73.5 | -179.2 | 10.7 | 0 | 0 | 110.5 | V51 E76 W154 I226 | V51-Q224 HydrophobicContact CG2-CB 4.3Å; E76-Q224 HydrophobicContact CB-CG 3.75Å; E76-Q224 HydrophobicContact CG-CG 4.5Å; E76-Q224 PolarHBondContact N-O 2.78Å; E76-Q224 PolarHBondContact O-N 3.23Å; E76-Q224 VanDerWaalsContact OE2-CG 3.29Å; E76-Q224 WeakPolarHBondContact OE2-CG 3.28Å; E76-Q224 PolarHBondContact OE2-NE2 2.71Å; W154-Q224 HydrophobicContact CD2-CG 4.27Å; W154-Q224 HydrophobicContact CE3-CG 3.83Å; W154-Q224 HydrophobicContact CH2-CB 3.77Å; W154-Q224 HydrophobicContact CH2-CG 3.62Å; W154-Q224 HydrophobicContact CZ2-CB 4.41Å; W154-Q224 HydrophobicContact CZ2-CG 4.06Å; W154-Q224 VanDerWaalsContact CZ2-OE1 3.27Å; W154-Q224 HydrophobicContact CZ3-CB 3.99Å; W154-Q224 HydrophobicContact CZ3-CG 3.5Å; W154-Q224 VanDerWaalsContact CZ3-CG 3.5Å; Q224-I226 PolarHBondContact O-N 2.87Å |
| 225 | S | 89.3 | Confident | 88.3 | Confident | 38 Ų | 38 | 41.9 Ų | 41.9 | 27% | 0.266 | 22% | 0.222 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | 53.9 | 32.2 | 173.7 | -51.3 | 0 | 0 | 0 | 0 | 113.9 | F74 E76 I227 | F74-S225 VanDerWaalsContact CD1-O 3.26Å; F74-S225 WeakPolarHBondContact CD1-O 3.33Å; E76-S225 PolarHBondContact OE2-OG 2.76Å; S225-I227 WeakPolarHBondContact O-CG1 3.45Å; S225-I227 PolarHBondContact O-N 3.02Å |
| 226 | I | 92.9 | Very high | 89.2 | Confident | 2 Ų | 2 | 37.6 Ų | 37.6 | 1% | 0.01 | 20% | 0.202 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -73.8 | 112.5 | -177 | -44.1 | 178.3 | 0 | 0 | 0 | 109.3 | L52 F62 F74 F75 M192 L194 F223 Q224 P236 L237 L238 | L52-I226 HydrophobicContact CD2-CD1 4.18Å; F62-I226 HydrophobicContact CE2-CD1 4.47Å; F62-I226 HydrophobicContact CZ-CD1 4.35Å; F74-I226 CarbonylContact O-C 3.59Å; F74-I226 WeakPolarHBondContact O-CA 3.45Å; F75-I226 HydrophobicContact CB-CB 4.2Å; F75-I226 HydrophobicContact CB-CG1 3.95Å; F75-I226 HydrophobicContact CB-CG2 4.05Å; M192-I226 HydrophobicContact CE-CG2 4.29Å; L194-I226 HydrophobicContact CD1-CD1 3.54Å; F223-I226 HydrophobicContact CB-CD1 3.95Å; F223-I226 HydrophobicContact CB-CG1 4.33Å; Q224-I226 PolarHBondContact O-N 2.87Å; I226-P236 CarbonylContact O-C 3.55Å; I226-L237 HydrophobicContact CB-CB 4.18Å; I226-L237 HydrophobicContact CG2-CB 3.96Å; I226-L237 HydrophobicContact CG2-CD1 3.64Å; I226-L237 HydrophobicContact CG2-CG 4.3Å; I226-L237 PolarHBondContact O-N 2.66Å; I226-L238 HydrophobicContact CB-CD1 4.44Å; I226-L238 HydrophobicContact CB-CG 4.14Å; I226-L238 HydrophobicContact CD1-CD1 3.78Å; I226-L238 HydrophobicContact CD1-CD2 3.64Å; I226-L238 HydrophobicContact CD1-CG 3.65Å; I226-L238 HydrophobicContact CG1-CD1 3.75Å; I226-L238 HydrophobicContact CG1-CD2 4.41Å; I226-L238 HydrophobicContact CG1-CG 3.86Å |
| 227 | I | 92 | Very high | 89.5 | Confident | 13 Ų | 13 | 36.6 Ų | 36.6 | 7% | 0.067 | 20% | 0.197 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.2 | 131 | -171.2 | -67.4 | 160.7 | 0 | 0 | 0 | 109.3 | I42 I73 F74 S225 F234 | I42-I227 HydrophobicContact CB-CD1 4.45Å; I42-I227 HydrophobicContact CD1-CD1 3.68Å; I42-I227 HydrophobicContact CG1-CD1 4.1Å; I42-I227 HydrophobicContact CG2-CD1 3.56Å; I73-I227 WeakPolarHBondContact CA-O 3.25Å; F74-I227 HydrophobicContact CB-CB 4.45Å; F74-I227 HydrophobicContact CD1-CD1 4.2Å; F74-I227 PolarHBondContact N-O 3.34Å; F74-I227 PolarHBondContact O-N 3.43Å; S225-I227 WeakPolarHBondContact O-CG1 3.45Å; S225-I227 PolarHBondContact O-N 3.02Å; I227-F234 HydrophobicContact CD1-CE2 4.42Å; I227-F234 HydrophobicContact CD1-CZ 4.15Å; I227-F234 HydrophobicContact CG1-CZ 4.27Å; I227-F234 HydrophobicContact CG2-CD2 3.88Å; I227-F234 HydrophobicContact CG2-CE2 3.35Å; I227-F234 HydrophobicContact CG2-CZ 3.82Å |
| 228 | Y | 92.9 | Very high | 89.4 | Confident | 0 Ų | 0 | 34.4 Ų | 34.4 | 0% | 0 | 18% | 0.183 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.9 | 133.3 | 168.2 | 171.8 | -90.9 | 0 | 0 | 0 | 109.8 | F64 T66 E71 K72 I73 S230 I235 V246 | F64-Y228 HydrophobicContact CD1-CD1 4.24Å; F64-Y228 AromaticContact CD1-CD2 3.51Å; F64-Y228 HydrophobicContact CD1-CD2 3.51Å; F64-Y228 HydrophobicContact CD1-CE1 4.32Å; F64-Y228 AromaticContact CD1-CE2 3.62Å; F64-Y228 HydrophobicContact CD1-CE2 3.62Å; F64-Y228 AromaticContact CD1-CG 3.86Å; F64-Y228 HydrophobicContact CD1-CG 3.86Å; F64-Y228 HydrophobicContact CE1-CD1 4.24Å; F64-Y228 AromaticContact CE1-CD2 3.24Å; F64-Y228 HydrophobicContact CE1-CD2 3.24Å; F64-Y228 AromaticContact CE1-CE2 3.86Å; F64-Y228 HydrophobicContact CE1-CE2 3.86Å; F64-Y228 AromaticContact CE1-CG 3.48Å; F64-Y228 HydrophobicContact CE1-CG 3.48Å; F64-Y228 VanDerWaalsContact CE1-CG 3.48Å; F64-Y228 HydrophobicContact CG-CE2 4.4Å; F64-Y228 HydrophobicContact CZ-CD2 4.09Å; T66-Y228 VanDerWaalsContact CB-OH 3.26Å; T66-Y228 WeakPolarHBondContact CB-OH 2.97Å; T66-Y228 HydrophobicContact CG2-CE1 3.92Å; T66-Y228 WeakPolarHBondContact CG2-OH 3.33Å; T66-Y228 PolarHBondContact OG1-OH 3.19Å; E71-Y228 HydrophobicContact CB-CE2 4.29Å; E71-Y228 VanDerWaalsContact CD-OH 3.32Å; E71-Y228 HydrophobicContact CG-CE2 4.45Å; E71-Y228 PolarHBondContact OE1-OH 3.01Å; K72-Y228 CarbonylContact O-C 3.56Å; K72-Y228 WeakPolarHBondContact O-CA 3.34Å; I73-Y228 HydrophobicContact CD1-CD2 4.01Å; I73-Y228 HydrophobicContact CG1-CD2 3.71Å; I73-Y228 HydrophobicContact CG1-CE2 4.41Å; Y228-S230 WeakPolarHBondContact OH-CB 3.19Å; Y228-I235 HydrophobicContact CD1-CD1 4.35Å; Y228-I235 PolarHBondContact N-O 2.91Å; Y228-I235 PolarHBondContact O-N 3.24Å; Y228-V246 HydrophobicContact CD1-CG2 4.43Å |
| 229 | K | 90.6 | Very high | 88.9 | Confident | 74 Ų | 74 | 35.3 Ų | 35.3 | 32% | 0.322 | 19% | 0.193 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -132.5 | 133.2 | 175.6 | -177.6 | 179.3 | -178.4 | 172.6 | 0 | 110.7 | L40 E71 K72 G231 I233 | L40-K229 HydrophobicContact CD1-CD 4.45Å; L40-K229 HydrophobicContact CD2-CD 4.49Å; E71-K229 CarbonylContact C-O 3.48Å; K72-K229 HydrophobicContact CB-CB 4.31Å; K72-K229 PolarHBondContact N-O 3.1Å; K72-K229 PolarHBondContact O-N 2.87Å; K229-G231 VanDerWaalsContact CE-O 3.3Å; K229-G231 WeakPolarHBondContact CE-O 3.31Å; K229-I233 CarbonylContact C-O 3.56Å; K229-I233 WeakPolarHBondContact CA-O 3.49Å; K229-I233 WeakPolarHBondContact CG-O 3.37Å |
| 230 | S | 88.4 | Confident | 88.1 | Confident | 10 Ų | 10 | 36.9 Ų | 36.9 | 7% | 0.07 | 20% | 0.203 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -143 | 111.1 | 172.9 | 166.2 | 0 | 0 | 0 | 0 | 109.4 | G68 Y228 E232 I233 | G68-S230 WeakPolarHBondContact CA-OG 3.12Å; Y228-S230 WeakPolarHBondContact OH-CB 3.19Å; S230-E232 PolarHBondContact O-N 3.18Å; S230-I233 PolarHBondContact N-O 3.27Å; S230-I233 WeakPolarHBondContact O-CB 3.15Å; S230-I233 PolarHBondContact O-N 3.22Å |
| 231 | G | 83.2 | Confident | 87.1 | Confident | 50 Ų | 50 | 43.6 Ų | 43.6 | 52% | 0.515 | 23% | 0.233 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 56.5 | -117.9 | -169.9 | 0 | 0 | 0 | 0 | 0 | 111.7 | K229 | K229-G231 VanDerWaalsContact CE-O 3.3Å; K229-G231 WeakPolarHBondContact CE-O 3.31Å |
| 232 | E | 79.8 | Confident | 86.4 | Confident | 196 Ų | 196 | 48.3 Ų | 48.3 | 92% | 0.916 | 26% | 0.259 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -85.2 | -14.4 | 176 | -61.5 | -168.6 | 166.3 | 0 | 0 | 113.9 | S230 F234 | S230-E232 PolarHBondContact O-N 3.18Å; E232-F234 PolarHBondContact O-N 2.87Å |
| 233 | I | 84.9 | Confident | 86 | Confident | 46 Ų | 46 | 50.7 Ų | 50.7 | 24% | 0.236 | 27% | 0.273 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -72.6 | 124.1 | -179.7 | -59 | 172.8 | 0 | 0 | 0 | 108.3 | K229 S230 I235 Y245 | K229-I233 CarbonylContact C-O 3.56Å; K229-I233 WeakPolarHBondContact CA-O 3.49Å; K229-I233 WeakPolarHBondContact CG-O 3.37Å; S230-I233 PolarHBondContact N-O 3.27Å; S230-I233 WeakPolarHBondContact O-CB 3.15Å; S230-I233 PolarHBondContact O-N 3.22Å; I233-I235 HydrophobicContact CG2-CD1 3.65Å; I233-I235 HydrophobicContact CG2-CG1 3.8Å; I233-Y245 HydrophobicContact CD1-CD1 3.94Å; I233-Y245 HydrophobicContact CD1-CE1 3.84Å; I233-Y245 HydrophobicContact CD1-CG 4.32Å |
| 234 | F | 87.5 | Confident | 85.5 | Confident | 89 Ų | 89 | 58.9 Ų | 58.9 | 39% | 0.39 | 31% | 0.309 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.5 | 120.1 | 174.7 | 176.1 | -88.6 | 0 | 0 | 0 | 109.1 | I42 I227 E232 P236 | I42-F234 HydrophobicContact CG2-CZ 4.24Å; I227-F234 HydrophobicContact CD1-CE2 4.42Å; I227-F234 HydrophobicContact CD1-CZ 4.15Å; I227-F234 HydrophobicContact CG1-CZ 4.27Å; I227-F234 HydrophobicContact CG2-CD2 3.88Å; I227-F234 HydrophobicContact CG2-CE2 3.35Å; I227-F234 HydrophobicContact CG2-CZ 3.82Å; E232-F234 PolarHBondContact O-N 2.87Å; F234-P236 HydrophobicContact CE1-CG 4.48Å |
| 235 | I | 88.7 | Confident | 85.2 | Confident | 10 Ų | 10 | 62.1 Ų | 62.1 | 5% | 0.051 | 32% | 0.32 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.7 | 109.6 | -174.4 | -57.7 | 172.9 | 0 | 0 | 0 | 109.5 | Y228 I233 L237 T240 Y245 V246 | Y228-I235 HydrophobicContact CD1-CD1 4.35Å; Y228-I235 PolarHBondContact N-O 2.91Å; Y228-I235 PolarHBondContact O-N 3.24Å; I233-I235 HydrophobicContact CG2-CD1 3.65Å; I233-I235 HydrophobicContact CG2-CG1 3.8Å; I235-L237 HydrophobicContact CG2-CD2 4.02Å; I235-L237 PolarHBondContact O-N 3.34Å; I235-T240 HydrophobicContact CG2-CG2 4.14Å; I235-Y245 HydrophobicContact CD1-CD2 4.49Å; I235-V246 HydrophobicContact CD1-CB 4.42Å; I235-V246 HydrophobicContact CD1-CG2 3.66Å |
| 236 | P | 88.4 | Confident | 85.1 | Confident | 48 Ų | 48 | 60.5 Ų | 60.5 | 31% | 0.312 | 31% | 0.309 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -73 | 107.7 | 166 | 27.8 | -30.6 | 0 | 0 | 0 | 109.7 | I226 F234 L238 S239 T240 | I226-P236 CarbonylContact O-C 3.55Å; F234-P236 HydrophobicContact CE1-CG 4.48Å; P236-L238 PolarHBondContact O-N 3.36Å; P236-S239 WeakPolarHBondContact CB-OG 3.07Å; P236-S239 WeakPolarHBondContact CG-OG 3.46Å; P236-S239 PolarHBondContact O-N 2.94Å; P236-S239 PolarHBondContact O-OG 3.29Å; P236-T240 VanDerWaalsContact O-CB 3.32Å; P236-T240 WeakPolarHBondContact O-CB 3.32Å; P236-T240 PolarHBondContact O-N 2.71Å; P236-T240 PolarHBondContact O-OG1 2.84Å |
| 237 | L | 88.8 | Confident | 85 | Confident | 3 Ų | 3 | 66 Ų | 66 | 2% | 0.016 | 33% | 0.334 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -69.4 | -28.8 | -167.4 | -69.4 | 177 | 0 | 0 | 0 | 113.8 | F62 F64 I226 I235 V246 | F62-L237 HydrophobicContact CD1-CB 4Å; F62-L237 HydrophobicContact CD1-CD1 4.18Å; F62-L237 HydrophobicContact CD1-CD2 4Å; F62-L237 HydrophobicContact CD1-CG 4.3Å; F62-L237 HydrophobicContact CD2-CD1 4.33Å; F62-L237 HydrophobicContact CE1-CB 3.65Å; F62-L237 HydrophobicContact CE1-CD1 4.47Å; F62-L237 HydrophobicContact CE1-CD2 4.5Å; F62-L237 HydrophobicContact CE1-CG 4.43Å; F62-L237 HydrophobicContact CG-CD1 4.1Å; F62-L237 HydrophobicContact CG-CD2 4.5Å; F62-L237 HydrophobicContact CZ-CB 4.06Å; F64-L237 HydrophobicContact CE1-CD1 4.29Å; F64-L237 HydrophobicContact CE1-CD2 4.32Å; F64-L237 HydrophobicContact CZ-CD1 4.1Å; I226-L237 HydrophobicContact CB-CB 4.18Å; I226-L237 HydrophobicContact CG2-CB 3.96Å; I226-L237 HydrophobicContact CG2-CD1 3.64Å; I226-L237 HydrophobicContact CG2-CG 4.3Å; I226-L237 PolarHBondContact O-N 2.66Å; I235-L237 HydrophobicContact CG2-CD2 4.02Å; I235-L237 PolarHBondContact O-N 3.34Å; L237-V246 HydrophobicContact CD2-CB 4.3Å; L237-V246 HydrophobicContact CD2-CG1 3.6Å; L237-V246 HydrophobicContact CD2-CG2 4.34Å |
| 238 | L | 85.2 | Confident | 84.8 | Confident | 11 Ų | 11 | 66.2 Ų | 66.2 | 6% | 0.058 | 34% | 0.338 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -80.2 | -21.1 | -179.1 | -70.1 | 179.6 | 0 | 0 | 0 | 114.8 | N50 L52 I226 P236 L250 N255 | N50-L238 HydrophobicContact CB-CB 4.09Å; N50-L238 PolarHBondContact ND2-O 3.23Å; N50-L238 WeakPolarHBondContact O-CD1 3.25Å; L52-L238 HydrophobicContact CB-CD1 4.21Å; L52-L238 HydrophobicContact CB-CD2 3.75Å; L52-L238 HydrophobicContact CD2-CD2 4.45Å; L52-L238 HydrophobicContact CG-CD2 4.46Å; I226-L238 HydrophobicContact CB-CD1 4.44Å; I226-L238 HydrophobicContact CB-CG 4.14Å; I226-L238 HydrophobicContact CD1-CD1 3.78Å; I226-L238 HydrophobicContact CD1-CD2 3.64Å; I226-L238 HydrophobicContact CD1-CG 3.65Å; I226-L238 HydrophobicContact CG1-CD1 3.75Å; I226-L238 HydrophobicContact CG1-CD2 4.41Å; I226-L238 HydrophobicContact CG1-CG 3.86Å; P236-L238 PolarHBondContact O-N 3.36Å; L238-L250 HydrophobicContact CD2-CD2 4.09Å; L238-N255 PolarHBondContact O-ND2 2.78Å |
| 239 | S | 78.2 | Confident | 84.5 | Confident | 72 Ų | 72 | 71.5 Ų | 71.5 | 50% | 0.503 | 36% | 0.362 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -98.4 | -11.3 | 178.1 | 56 | 0 | 0 | 0 | 0 | 113 | P236 | P236-S239 WeakPolarHBondContact CB-OG 3.07Å; P236-S239 WeakPolarHBondContact CG-OG 3.46Å; P236-S239 PolarHBondContact O-N 2.94Å; P236-S239 PolarHBondContact O-OG 3.29Å |
| 240 | T | 76.1 | Confident | 84.3 | Confident | 32 Ų | 32 | 70.3 Ų | 70.3 | 20% | 0.196 | 36% | 0.359 | C | S | . | . | trans | -103.6 | 109 | -169.1 | -55 | 0 | 0 | 0 | 0 | 110.5 | I235 P236 N242 T243 S248 | I235-T240 HydrophobicContact CG2-CG2 4.14Å; P236-T240 VanDerWaalsContact O-CB 3.32Å; P236-T240 WeakPolarHBondContact O-CB 3.32Å; P236-T240 PolarHBondContact O-N 2.71Å; P236-T240 PolarHBondContact O-OG1 2.84Å; T240-N242 PolarHBondContact O-N 2.7Å; T240-T243 HydrophobicContact CG2-CG2 3.26Å; T240-S248 PolarHBondContact O-OG 3.25Å; T240-S248 VanDerWaalsContact O-OG 3.11Å | ||
| 241 | K | 70 | Confident | 84 | Confident | 190 Ų | 190 | 70.9 Ų | 70.9 | 83% | 0.826 | 36% | 0.363 | S | S | * | . | S | Bend | trans | -69.3 | -25.2 | -172.9 | -81.8 | -173.1 | 177.1 | -179.9 | 0 | 115.5 | S248 | K241-S248 PolarHBondContact O-OG 2.99Š|
| 242 | N | 79.5 | Confident | 83.3 | Confident | 100 Ų | 100 | 76 Ų | 76 | 54% | 0.535 | 38% | 0.383 | S | S | . | . | trans | 170.1 | 139.3 | 170.1 | -82.1 | -27.3 | 0 | 0 | 0 | 107.9 | T240 Q247 S248 | T240-N242 PolarHBondContact O-N 2.7Å; N242-Q247 WeakPolarHBondContact OD1-CA 2.97Å; N242-S248 PolarHBondContact OD1-N 2.86Å | ||
| 243 | T | 83.2 | Confident | 82.6 | Confident | 50 Ų | 50 | 74.4 Ų | 74.4 | 31% | 0.307 | 38% | 0.376 | S | S | . | . | trans | -126 | 175 | 173.4 | 65.9 | 0 | 0 | 0 | 0 | 110.7 | T240 Y245 V246 | T240-T243 HydrophobicContact CG2-CG2 3.26Å; T243-Y245 PolarHBondContact O-N 3.11Å; T243-Y245 PolarHBondContact OG1-N 3.33Å; T243-V246 PolarHBondContact N-O 3.35Å; T243-V246 PolarHBondContact OG1-N 3.36Å; T243-V246 PolarHBondContact OG1-O 2.66Å | ||
| 244 | K | 84.2 | Confident | 81.6 | Confident | 171 Ų | 171 | 72.3 Ų | 72.3 | 74% | 0.743 | 37% | 0.365 | S | S | * | . | S | Bend | trans | -56.3 | -29 | 169.2 | -175.9 | 178.3 | 177 | -177.7 | 0 | 112.8 | ||
| 245 | Y | 85.4 | Confident | 80.5 | Confident | 99 Ų | 99 | 71.2 Ų | 71.2 | 39% | 0.388 | 36% | 0.363 | S | S | . | . | S | Bend | trans | -98.7 | -27 | -172.8 | -54.6 | -73.1 | 0 | 0 | 0 | 113.4 | N65 T66 I233 I235 T243 | N65-Y245 PolarHBondContact N-O 3.48Å; T66-Y245 HydrophobicContact CG2-CD1 4.37Å; I233-Y245 HydrophobicContact CD1-CD1 3.94Å; I233-Y245 HydrophobicContact CD1-CE1 3.84Å; I233-Y245 HydrophobicContact CD1-CG 4.32Å; I235-Y245 HydrophobicContact CD1-CD2 4.49Å; T243-Y245 PolarHBondContact O-N 3.11Å; T243-Y245 PolarHBondContact OG1-N 3.33Å |
| 246 | V | 88 | Confident | 79.6 | Confident | 5 Ų | 5 | 74.5 Ų | 74.5 | 3% | 0.03 | 38% | 0.379 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -142.2 | 129.7 | -176.4 | -175.4 | 0 | 0 | 0 | 0 | 111.3 | F62 H63 F64 Y228 I235 L237 T243 | F62-V246 HydrophobicContact CB-CG1 4.32Å; H63-V246 CarbonylContact O-C 3.56Å; H63-V246 VanDerWaalsContact O-CA 3.29Å; H63-V246 WeakPolarHBondContact O-CA 3.25Å; F64-V246 HydrophobicContact CD1-CG1 4.27Å; F64-V246 HydrophobicContact CD1-CG2 3.57Å; F64-V246 HydrophobicContact CE1-CG1 4.2Å; F64-V246 HydrophobicContact CE1-CG2 3.93Å; Y228-V246 HydrophobicContact CD1-CG2 4.43Å; I235-V246 HydrophobicContact CD1-CB 4.42Å; I235-V246 HydrophobicContact CD1-CG2 3.66Å; L237-V246 HydrophobicContact CD2-CB 4.3Å; L237-V246 HydrophobicContact CD2-CG1 3.6Å; L237-V246 HydrophobicContact CD2-CG2 4.34Å; T243-V246 PolarHBondContact N-O 3.35Å; T243-V246 PolarHBondContact OG1-N 3.36Å; T243-V246 PolarHBondContact OG1-O 2.66Å |
| 247 | Q | 89.3 | Confident | 79 | Confident | 116 Ų | 116 | 82.8 Ų | 82.8 | 54% | 0.542 | 40% | 0.404 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.7 | 123.9 | 167.6 | -62.6 | 178.4 | -15 | 0 | 0 | 110.2 | F62 H63 N242 | F62-Q247 CarbonylContact C-O 3.56Å; F62-Q247 WeakPolarHBondContact CA-O 3.36Å; H63-Q247 HydrophobicContact CB-CB 4.3Å; H63-Q247 PolarHBondContact N-O 3.18Å; H63-Q247 PolarHBondContact O-N 2.84Å; N242-Q247 WeakPolarHBondContact OD1-CA 2.97Å |
| 248 | S | 87.5 | Confident | 78.5 | Confident | 19 Ų | 19 | 87.1 Ų | 87.1 | 13% | 0.133 | 43% | 0.431 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.5 | 128.7 | 179.6 | 60.4 | 0 | 0 | 0 | 0 | 111.5 | T240 K241 N242 | T240-S248 PolarHBondContact O-OG 3.25Å; T240-S248 VanDerWaalsContact O-OG 3.11Å; K241-S248 PolarHBondContact O-OG 2.99Å; N242-S248 PolarHBondContact OD1-N 2.86Å |
| 249 | Q | 87.7 | Confident | 78.4 | Confident | 110 Ų | 110 | 88 Ų | 88 | 51% | 0.514 | 44% | 0.437 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.8 | 101.5 | 168.4 | -63.1 | 178.9 | -5.9 | 0 | 0 | 108.1 | A60 A61 H63 | A60-Q249 WeakPolarHBondContact CA-O 3.44Å; A61-Q249 HydrophobicContact CB-CB 4.2Å; A61-Q249 PolarHBondContact N-O 3.01Å; A61-Q249 PolarHBondContact O-N 2.66Å; H63-Q249 PolarHBondContact NE2-NE2 2.81Å |
| 250 | L | 85.6 | Confident | 78.5 | Confident | 49 Ų | 49 | 87.1 Ų | 87.1 | 26% | 0.257 | 43% | 0.427 | S | S | . | . | trans | -110.7 | 140.4 | -179.7 | -61 | 173.4 | 0 | 0 | 0 | 110.1 | L52 A60 F62 L238 | L52-L250 HydrophobicContact CD1-CD2 4.18Å; A60-L250 HydrophobicContact CB-CD2 3.9Å; F62-L250 HydrophobicContact CE1-CD2 3.87Å; F62-L250 HydrophobicContact CZ-CD2 3.68Å; L238-L250 HydrophobicContact CD2-CD2 4.09Å | ||
| 251 | P | 81.8 | Confident | 78.3 | Confident | 23 Ų | 23 | 92.3 Ų | 92.3 | 15% | 0.149 | 44% | 0.444 | C | S | . | . | trans | -62.6 | 139.2 | 173.7 | -3.6 | 7.8 | 0 | 0 | 0 | 111.8 | L52 L54 N58 H59 Q253 S254 | L52-P251 HydrophobicContact CD1-CG 4.49Å; L54-P251 HydrophobicContact CD2-CG 4.23Å; N58-P251 HydrophobicContact CB-CB 4.05Å; N58-P251 HydrophobicContact CB-CG 3.96Å; H59-P251 WeakPolarHBondContact O-CD 3.44Å; H59-P251 WeakPolarHBondContact O-CG 3.49Å; P251-Q253 PolarHBondContact O-N 3.38Å; P251-S254 WeakPolarHBondContact CD-OG 3.29Å; P251-S254 WeakPolarHBondContact CG-OG 3.38Å; P251-S254 WeakPolarHBondContact O-CB 3.2Å; P251-S254 PolarHBondContact O-N 2.99Å; P251-S254 VanDerWaalsContact O-N 3.07Å; P251-S254 PolarHBondContact O-OG 2.84Å | ||
| 252 | V | 69.7 | Low | 78.5 | Confident | 156 Ų | 156 | 88.8 Ų | 88.8 | 95% | 0.945 | 43% | 0.429 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -54 | -33.2 | -174.9 | -177.1 | 0 | 0 | 0 | 0 | 113.4 | ||
| 253 | Q | 64.4 | Low | 78.4 | Confident | 164 Ų | 164 | 85 Ų | 85 | 77% | 0.766 | 41% | 0.408 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -100.9 | 8.1 | -176 | -68.6 | -178 | -18.9 | 0 | 0 | 114.7 | P251 | P251-Q253 PolarHBondContact O-N 3.38Š|
| 254 | S | 64.8 | Low | 78.2 | Confident | 1 Ų | 1 | 83.5 Ų | 83.5 | 1% | 0.007 | 40% | 0.398 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -96.9 | -27 | -164 | 64.4 | 0 | 0 | 0 | 0 | 115.9 | L52 N53 P251 Q256 | L52-S254 WeakPolarHBondContact CA-O 3.09Å; L52-S254 VanDerWaalsContact CD1-CB 3.5Å; L52-S254 WeakPolarHBondContact CD1-OG 3.42Å; N53-S254 PolarHBondContact N-O 2.79Å; N53-S254 WeakPolarHBondContact O-CB 3.31Å; P251-S254 WeakPolarHBondContact CD-OG 3.29Å; P251-S254 WeakPolarHBondContact CG-OG 3.38Å; P251-S254 WeakPolarHBondContact O-CB 3.2Å; P251-S254 PolarHBondContact O-N 2.99Å; P251-S254 VanDerWaalsContact O-N 3.07Å; P251-S254 PolarHBondContact O-OG 2.84Å; S254-Q256 PolarHBondContact O-N 2.67Å; S254-Q256 VanDerWaalsContact O-N 3.13Å |
| 255 | N | 64.7 | Low | 77.5 | Confident | 66 Ų | 66 | 79 Ų | 79 | 35% | 0.353 | 38% | 0.38 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -82.4 | 90.6 | 180 | -77.7 | 0.9 | 0 | 0 | 0 | 110.6 | V51 L238 | V51-N255 CarbonylContact O-C 3.59Å; V51-N255 WeakPolarHBondContact O-CA 3.3Å; L238-N255 PolarHBondContact O-ND2 2.78Å |
| 256 | Q | 70 | Confident | 76.5 | Confident | 79 Ų | 79 | 76.5 Ų | 76.5 | 37% | 0.369 | 38% | 0.377 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.1 | 163 | 173.3 | -67.9 | -170.3 | -16.6 | 0 | 0 | 110.8 | V51 N53 S254 T258 | V51-Q256 WeakPolarHBondContact CA-O 3.11Å; V51-Q256 WeakPolarHBondContact CB-O 3.35Å; V51-Q256 PolarHBondContact N-O 3.29Å; V51-Q256 PolarHBondContact O-N 3.25Å; N53-Q256 PolarHBondContact ND2-OE1 2.83Å; S254-Q256 PolarHBondContact O-N 2.67Å; S254-Q256 VanDerWaalsContact O-N 3.13Å; Q256-T258 WeakPolarHBondContact CB-O 3.45Å; Q256-T258 PolarHBondContact OE1-O 3.17Å |
| 257 | R | 74.8 | Confident | 75 | Confident | 222 Ų | 222 | 84 Ų | 84 | 84% | 0.838 | 41% | 0.409 | S | S | * | . | S | Bend | trans | -75.8 | -16.2 | 170.3 | -70.8 | -173 | 179.6 | -175.8 | -0.5 | 112.7 | ||
| 258 | T | 79 | Confident | 73.3 | Confident | 95 Ų | 95 | 80.5 Ų | 80.5 | 58% | 0.583 | 40% | 0.397 | S | S | * | . | S | Bend | trans | -136.1 | 144.8 | -172.9 | 53.4 | 0 | 0 | 0 | 0 | 110.4 | N53 Q256 D260 | N53-T258 PolarHBondContact ND2-O 3.47Å; Q256-T258 WeakPolarHBondContact CB-O 3.45Å; Q256-T258 PolarHBondContact OE1-O 3.17Å; T258-D260 PolarHBondContact O-N 3.32Å |
| 259 | C | 83 | Confident | 71.1 | Confident | 28 Ų | 28 | 86.1 Ų | 86.1 | 19% | 0.189 | 43% | 0.426 | C | S | . | . | trans | -70.8 | 124.1 | 168.8 | -179.5 | 0 | 0 | 0 | 0 | 109.4 | V51 W154 C222 Y261 | V51-C259 HydrophobicContact CG1-CB 4.22Å; W154-C259 HydrophobicContact CZ2-CB 4.32Å; C222-C259 HydrophobicContact CB-CB 3.72Å; C222-C259 WeakPolarHBondContact CB-SG 3.38Å; C222-C259 WeakPolarHBondContact SG-CA 3.35Å; C222-C259 WeakPolarHBondContact SG-CB 3.38Å; C222-C259 CovalentContact SG-SG 2.03Å; C222-C259 PolarHBondContact SG-SG 2.87Å; C259-Y261 PolarHBondContact O-N 3.45Å | ||
| 260 | D | 79.3 | Confident | 68.9 | Low | 55 Ų | 55 | 88.4 Ų | 88.4 | 29% | 0.294 | 44% | 0.44 | S | S | . | . | trans | -69.1 | 113.9 | 177.7 | -178.2 | -0.6 | 0 | 0 | 0 | 110.1 | N53 T258 K262 L263 | N53-D260 PolarHBondContact ND2-N 2.83Å; T258-D260 PolarHBondContact O-N 3.32Å; D260-K262 PolarHBondContact O-N 2.76Å; D260-K262 VanDerWaalsContact O-N 3.13Å; D260-K262 WeakPolarHBondContact OD1-CB 3.49Å; D260-K262 PolarHBondContact OD1-N 3.36Å; D260-L263 HydrophobicContact CB-CD1 3.98Å; D260-L263 HydrophobicContact CB-CG 4.09Å; D260-L263 VanDerWaalsContact O-CB 3.31Å; D260-L263 WeakPolarHBondContact O-CB 3.22Å; D260-L263 PolarHBondContact O-N 2.87Å | ||
| 261 | Y | 72.3 | Confident | 67 | Low | 140 Ų | 140 | 93.5 Ų | 93.5 | 55% | 0.549 | 47% | 0.468 | S | S | . | . | H | α-helix | trans | -58 | -29.1 | -178.8 | 85.4 | -86.1 | 0 | 0 | 0 | 112.4 | C259 L263 L264 Q265 | C259-Y261 PolarHBondContact O-N 3.45Å; Y261-L263 PolarHBondContact O-N 2.82Å; Y261-L264 CarbonylContact O-C 3.55Å; Y261-L264 WeakPolarHBondContact O-CA 3.29Å; Y261-L264 PolarHBondContact O-N 2.99Å; Y261-Q265 HydrophobicContact CD2-CG 4.12Å; Y261-Q265 HydrophobicContact CE2-CG 4.37Å; Y261-Q265 VanDerWaalsContact CE2-NE2 3.31Å; Y261-Q265 PolarHBondContact O-N 3.37Å; Y261-Q265 VanDerWaalsContact O-N 3.15Å |
| 262 | K | 75.4 | Confident | 65.3 | Low | 117 Ų | 117 | 95.4 Ų | 95.4 | 51% | 0.509 | 48% | 0.476 | S | S | . | . | H | α-helix | trans | -64.3 | -22.2 | 177.6 | -64.2 | -178.7 | 178.1 | -178.9 | 0 | 112.6 | R220 D260 L264 | R220-K262 PolarHBondContact NH2-O 3Å; D260-K262 PolarHBondContact O-N 2.76Å; D260-K262 VanDerWaalsContact O-N 3.13Å; D260-K262 WeakPolarHBondContact OD1-CB 3.49Å; D260-K262 PolarHBondContact OD1-N 3.36Å; K262-L264 VanDerWaalsContact C-N 3.34Å |
| 263 | L | 76.8 | Confident | 64.2 | Low | 21 Ų | 21 | 92.8 Ų | 92.8 | 11% | 0.11 | 47% | 0.465 | C | S | . | . | H | α-helix | trans | -74.3 | -28.7 | 173 | -64 | 172.8 | 0 | 0 | 0 | 112.2 | N53 N55 R220 D260 Y261 | N53-L263 HydrophobicContact CB-CD1 3.76Å; N55-L263 HydrophobicContact CB-CD2 3.68Å; R220-L263 HydrophobicContact CG-CB 4.49Å; R220-L263 HydrophobicContact CG-CD2 4.34Å; R220-L263 PolarHBondContact NE-O 3.28Å; D260-L263 HydrophobicContact CB-CD1 3.98Å; D260-L263 HydrophobicContact CB-CG 4.09Å; D260-L263 VanDerWaalsContact O-CB 3.31Å; D260-L263 WeakPolarHBondContact O-CB 3.22Å; D260-L263 PolarHBondContact O-N 2.87Å; Y261-L263 PolarHBondContact O-N 2.82Å |
| 264 | L | 79.6 | Confident | 63.5 | Low | 17 Ų | 17 | 92.7 Ų | 92.7 | 9% | 0.089 | 46% | 0.462 | C | S | . | . | H | α-helix | trans | -91.8 | -6.3 | -179.1 | -57.5 | 175.8 | 0 | 0 | 0 | 112.8 | R78 R80 T152 Y261 K262 | R78-L264 HydrophobicContact CG-CD1 4.09Å; R78-L264 HydrophobicContact CG-CD2 4.11Å; R80-L264 WeakPolarHBondContact CB-O 3.4Å; R80-L264 WeakPolarHBondContact CG-O 3.23Å; T152-L264 HydrophobicContact CG2-CB 4.25Å; Y261-L264 CarbonylContact O-C 3.55Å; Y261-L264 WeakPolarHBondContact O-CA 3.29Å; Y261-L264 PolarHBondContact O-N 2.99Å; K262-L264 VanDerWaalsContact C-N 3.34Å |
| 265 | Q | 69.5 | Low | 62.7 | Low | 76 Ų | 76 | 94 Ų | 94 | 36% | 0.355 | 47% | 0.47 | S | S | . | . | S | Bend | trans | -75.1 | 147.7 | 171.7 | -72 | -170.9 | -30.2 | 0 | 0 | 111.5 | Y261 | Y261-Q265 HydrophobicContact CD2-CG 4.12Å; Y261-Q265 HydrophobicContact CE2-CG 4.37Å; Y261-Q265 VanDerWaalsContact CE2-NE2 3.31Å; Y261-Q265 PolarHBondContact O-N 3.37Å; Y261-Q265 VanDerWaalsContact O-N 3.15Å |
| 266 | S | 62.6 | Low | 62.3 | Low | 48 Ų | 48 | 93.4 Ų | 93.4 | 34% | 0.336 | 47% | 0.467 | S | S | . | . | trans | -56.7 | 151.9 | 170.7 | -173.5 | 0 | 0 | 0 | 0 | 111 | S268 | S266-S268 PolarHBondContact O-N 2.98Å; S266-S268 VanDerWaalsContact O-N 3.12Å | ||
| 267 | K | 57.2 | Low | 62.3 | Low | 162 Ų | 162 | 91.1 Ų | 91.1 | 70% | 0.704 | 46% | 0.46 | S | S | * | . | S | Bend | trans | -71.9 | 6.4 | -179.8 | -95.8 | -171.7 | 177.4 | 176.7 | 0 | 114.5 | R220 | R220-K267 VanDerWaalsContact NH1-CG 3.34Š|
| 268 | S | 53.1 | Low | 62.8 | Low | 42 Ų | 42 | 81 Ų | 81 | 29% | 0.294 | 42% | 0.422 | S | S | . | . | S | Bend | trans | -71.1 | 139.7 | 176.2 | 51 | 0 | 0 | 0 | 0 | 111.2 | S266 | S266-S268 PolarHBondContact O-N 2.98Å; S266-S268 VanDerWaalsContact O-N 3.12Å |
| 269 | N | 42.3 | Very low | 63.3 | Low | 138 Ų | 138 | 76.5 Ų | 76.5 | 74% | 0.738 | 39% | 0.394 | S | S | * | . | trans | -45.8 | 139.7 | -176.1 | -73.6 | -22.5 | 0 | 0 | 0 | 113.2 | D271 | N269-D271 PolarHBondContact O-N 2.92Å; N269-D271 VanDerWaalsContact O-N 3.13Å | ||
| 270 | I | 41.8 | Very low | 63.6 | Low | 157 Ų | 157 | 75.5 Ų | 75.5 | 81% | 0.805 | 39% | 0.388 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -66.4 | -12.8 | -168 | -71 | 165.3 | 0 | 0 | 0 | 114.2 | D272 | I270-D272 PolarHBondContact O-N 2.75Š|
| 271 | D | 45.1 | Very low | 64.2 | Low | 157 Ų | 157 | 72.9 Ų | 72.9 | 84% | 0.84 | 37% | 0.374 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -74.1 | -5.5 | -177.4 | -74.6 | -24.8 | 0 | 0 | 0 | 114.6 | N269 | N269-D271 PolarHBondContact O-N 2.92Å; N269-D271 VanDerWaalsContact O-N 3.13Å |
| 272 | D | 46.6 | Very low | 64.8 | Low | 62 Ų | 62 | 67.9 Ų | 67.9 | 33% | 0.332 | 36% | 0.356 | S | S | . | . | trans | -115.3 | 54.1 | -175 | -71.8 | -33 | 0 | 0 | 0 | 113.4 | I270 K274 T275 | I270-D272 PolarHBondContact O-N 2.75Å; D272-K274 PolarHBondContact O-N 3.11Å; D272-K274 VanDerWaalsContact O-N 3.11Å; D272-T275 HydrophobicContact CB-CG2 3.58Å; D272-T275 WeakPolarHBondContact CB-OG1 3.29Å; D272-T275 PolarHBondContact O-N 3.45Å; D272-T275 PolarHBondContact O-OG1 2.9Å | ||
| 273 | S | 47 | Very low | 65.2 | Low | 102 Ų | 102 | 66.5 Ų | 66.5 | 71% | 0.713 | 35% | 0.35 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -57.5 | -25.9 | 177.8 | 62.2 | 0 | 0 | 0 | 0 | 114 | ||
| 274 | K | 48.7 | Very low | 65.4 | Low | 162 Ų | 162 | 68.5 Ų | 68.5 | 70% | 0.704 | 36% | 0.364 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -80.2 | -23.4 | 172.7 | -80.2 | -170.6 | 172.7 | -167.8 | 0 | 114.6 | D272 N276 F278 | D272-K274 PolarHBondContact O-N 3.11Å; D272-K274 VanDerWaalsContact O-N 3.11Å; K274-N276 PolarHBondContact O-N 2.87Å; K274-F278 WeakPolarHBondContact O-CD2 3.47Å |
| 275 | T | 49.1 | Very low | 65.3 | Low | 28 Ų | 28 | 69.7 Ų | 69.7 | 17% | 0.172 | 38% | 0.38 | C | S | . | . | G | 310 helix | trans | -77.5 | -12 | -179.1 | 67.8 | 0 | 0 | 0 | 0 | 113.2 | D272 S277 F278 | D272-T275 HydrophobicContact CB-CG2 3.58Å; D272-T275 WeakPolarHBondContact CB-OG1 3.29Å; D272-T275 PolarHBondContact O-N 3.45Å; D272-T275 PolarHBondContact O-OG1 2.9Å; T275-S277 PolarHBondContact O-N 2.81Å; T275-F278 PolarHBondContact O-N 3.18Å |
| 276 | N | 54.4 | Low | 65.6 | Low | 54 Ų | 54 | 66 Ų | 66 | 29% | 0.289 | 36% | 0.363 | S | S | . | . | G | 310 helix | trans | -70.3 | -15.2 | -172.7 | -71 | -11.2 | 0 | 0 | 0 | 114.6 | K274 Y492 | K274-N276 PolarHBondContact O-N 2.87Å; N276-Y492 VanDerWaalsContact CA-OH 3.28Å; N276-Y492 WeakPolarHBondContact CA-OH 3.45Å; N276-Y492 VanDerWaalsContact CG-OH 3.28Å; N276-Y492 PolarHBondContact OD1-OH 3.44Å |
| 277 | S | 70 | Confident | 66.8 | Low | 31 Ų | 31 | 65.3 Ų | 65.3 | 22% | 0.217 | 35% | 0.353 | C | S | . | . | G | 310 helix | trans | -100.8 | -0.1 | 179.4 | 58.7 | 0 | 0 | 0 | 0 | 113.8 | T275 G466 E467 I477 | T275-S277 PolarHBondContact O-N 2.81Å; S277-G466 WeakPolarHBondContact O-CA 3.4Å; S277-E467 PolarHBondContact O-N 2.91Å; S277-E467 WeakPolarHBondContact OG-CG 3.29Å; S277-I477 WeakPolarHBondContact O-CD1 3.22Å; S277-I477 WeakPolarHBondContact O-CG1 3.34Å |
| 278 | F | 86.3 | Confident | 68.3 | Low | 10 Ų | 10 | 57.6 Ų | 57.6 | 4% | 0.044 | 32% | 0.32 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106 | 148.3 | -174 | -73.7 | -96.7 | 0 | 0 | 0 | 113.2 | K274 T275 I304 C464 L465 G466 G493 C494 | K274-F278 WeakPolarHBondContact O-CD2 3.47Å; T275-F278 PolarHBondContact O-N 3.18Å; F278-I304 HydrophobicContact CE1-CB 4.1Å; F278-I304 HydrophobicContact CE1-CG2 3.89Å; F278-I304 HydrophobicContact CZ-CB 4.03Å; F278-I304 HydrophobicContact CZ-CD1 4.38Å; F278-I304 HydrophobicContact CZ-CG2 3.84Å; F278-C464 HydrophobicContact CD1-CB 4.21Å; F278-L465 CarbonylContact C-O 3.53Å; F278-L465 VanDerWaalsContact CA-O 3.25Å; F278-L465 WeakPolarHBondContact CA-O 3.4Å; F278-G466 VanDerWaalsContact CD1-CA 3.45Å; F278-G493 VanDerWaalsContact O-CA 3.31Å; F278-G493 WeakPolarHBondContact O-CA 3.28Å; F278-G493 PolarHBondContact O-N 3.21Å; F278-C494 HydrophobicContact CB-CB 3.73Å; F278-C494 HydrophobicContact CD1-CB 3.92Å; F278-C494 HydrophobicContact CG-CB 3.92Å |
| 279 | V | 88.9 | Confident | 69.8 | Low | 0 Ų | 0 | 57.8 Ų | 57.8 | 0% | 0 | 31% | 0.314 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.8 | 146.3 | 166.6 | -64.1 | 0 | 0 | 0 | 0 | 109.7 | F281 L288 C464 L465 I477 R481 V490 E491 G493 | V279-F281 HydrophobicContact CG2-CE2 3.91Å; V279-L288 HydrophobicContact CG2-CD1 3.96Å; V279-C464 VanDerWaalsContact O-CA 3.26Å; V279-C464 WeakPolarHBondContact O-CA 3.18Å; V279-L465 PolarHBondContact N-O 2.68Å; V279-L465 PolarHBondContact O-N 2.71Å; V279-I477 HydrophobicContact CB-CD1 4.36Å; V279-I477 HydrophobicContact CG1-CB 4.3Å; V279-I477 HydrophobicContact CG1-CD1 4.16Å; V279-I477 HydrophobicContact CG1-CG1 3.93Å; V279-I477 HydrophobicContact CG2-CB 4.38Å; V279-I477 HydrophobicContact CG2-CD1 3.65Å; V279-I477 HydrophobicContact CG2-CG1 4.21Å; V279-R481 HydrophobicContact CG1-CB 4.49Å; V279-R481 HydrophobicContact CG1-CG 4.16Å; V279-V490 HydrophobicContact CB-CG1 3.79Å; V279-V490 HydrophobicContact CG1-CG1 4.46Å; V279-V490 HydrophobicContact CG2-CG1 4.08Å; V279-E491 CarbonylContact C-O 3.47Å; V279-E491 VanDerWaalsContact CA-O 3.28Å; V279-E491 WeakPolarHBondContact CA-O 3.33Å; V279-G493 CarbonylContact C-O 3.54Å |
| 280 | S | 89.2 | Confident | 71.9 | Confident | 7 Ų | 7 | 51.2 Ų | 51.2 | 5% | 0.049 | 28% | 0.279 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.6 | 117.9 | 177.9 | -67.4 | 0 | 0 | 0 | 0 | 110.1 | I282 G463 C464 V490 E491 G493 | S280-I282 PolarHBondContact O-N 3.16Å; S280-G463 CarbonylContact C-O 3.58Å; S280-G463 WeakPolarHBondContact CA-O 3.26Å; S280-C464 PolarHBondContact OG-SG 3.27Å; S280-C464 VanDerWaalsContact OG-SG 3.33Å; S280-V490 CarbonylContact O-C 3.53Å; S280-V490 WeakPolarHBondContact O-CA 3.43Å; S280-E491 PolarHBondContact N-O 3.22Å; S280-E491 PolarHBondContact O-N 3.04Å; S280-G493 PolarHBondContact N-O 3.31Å; S280-G493 PolarHBondContact OG-O 2.76Å |
| 281 | F | 91.6 | Very high | 73.8 | Confident | 0 Ų | 0 | 47.1 Ų | 47.1 | 0% | 0 | 26% | 0.256 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -77.8 | 108.3 | 165.5 | -62.9 | -101.2 | 0 | 0 | 0 | 107 | V279 S286 L288 I434 F461 V462 G463 L465 V490 | V279-F281 HydrophobicContact CG2-CE2 3.91Å; F281-S286 WeakPolarHBondContact CD1-OG 3.4Å; F281-L288 HydrophobicContact CE1-CG 4.07Å; F281-L288 HydrophobicContact CE2-CD1 4.49Å; F281-L288 HydrophobicContact CZ-CD1 3.79Å; F281-L288 HydrophobicContact CZ-CG 3.76Å; F281-I434 WeakPolarHBondContact CE1-O 3.32Å; F281-I434 HydrophobicContact CZ-CG2 4.12Å; F281-F461 HydrophobicContact CB-CD1 4.26Å; F281-F461 VanDerWaalsContact CB-O 3.26Å; F281-F461 WeakPolarHBondContact CB-O 3.2Å; F281-F461 AromaticContact CD2-CD1 3.88Å; F281-F461 HydrophobicContact CD2-CD1 3.88Å; F281-F461 HydrophobicContact CD2-CE1 4.02Å; F281-F461 HydrophobicContact CG-CD1 4.09Å; F281-V462 WeakPolarHBondContact O-CA 3.49Å; F281-V462 WeakPolarHBondContact O-CG1 3.25Å; F281-G463 PolarHBondContact N-O 3.27Å; F281-G463 PolarHBondContact O-N 3.03Å; F281-L465 HydrophobicContact CD2-CD1 4.43Å; F281-L465 HydrophobicContact CD2-CG 4.46Å; F281-L465 HydrophobicContact CE2-CB 4.27Å; F281-L465 HydrophobicContact CE2-CD1 3.64Å; F281-L465 HydrophobicContact CE2-CG 3.97Å; F281-L465 HydrophobicContact CZ-CD1 4.17Å; F281-V490 HydrophobicContact CD1-CG2 3.79Å; F281-V490 HydrophobicContact CE1-CG2 3.87Å; F281-V490 HydrophobicContact CG-CG2 4.46Å |
| 282 | I | 86.3 | Confident | 75.6 | Confident | 34 Ų | 34 | 40.5 Ų | 40.5 | 17% | 0.174 | 22% | 0.224 | C | C | . | . | trans | -93.7 | -17.6 | -171.5 | 59.1 | 153.7 | 0 | 0 | 0 | 113.5 | S280 P488 F489 E491 | S280-I282 PolarHBondContact O-N 3.16Å; I282-P488 WeakPolarHBondContact CD1-O 3.31Å; I282-F489 WeakPolarHBondContact CG1-O 3.17Å; I282-F489 PolarHBondContact N-O 2.95Å; I282-E491 HydrophobicContact CD1-CG 4.26Å; I282-E491 HydrophobicContact CG1-CG 4.46Å; I282-E491 HydrophobicContact CG2-CB 4.32Å; I282-E491 HydrophobicContact CG2-CG 4Å | ||
| 283 | K | 82.7 | Confident | 77.5 | Confident | 88 Ų | 88 | 37.6 Ų | 37.6 | 38% | 0.383 | 21% | 0.209 | S | C | . | . | S | Bend | trans | -150.5 | 156.6 | 177.6 | -66 | -176.8 | -176.9 | 162.2 | 0 | 111.6 | S286 F489 | K283-S286 PolarHBondContact O-OG 3.43Å; K283-F489 HydrophobicContact CB-CD1 3.96Å; K283-F489 HydrophobicContact CD-CD1 4.14Å; K283-F489 HydrophobicContact CD-CE1 4.31Å |
| 284 | P | 80.5 | Confident | 79 | Confident | 64 Ų | 64 | 38.7 Ų | 38.7 | 42% | 0.416 | 20% | 0.2 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -59.5 | 157.1 | 167.5 | -22 | 34.2 | 0 | 0 | 0 | 112.9 | D460 V462 | P284-D460 HydrophobicContact CB-CB 4.01Å; P284-V462 HydrophobicContact CG-CG2 4.03Å |
| 285 | G | 77.5 | Confident | 80.5 | Confident | 41 Ų | 41 | 35.2 Ų | 35.2 | 42% | 0.423 | 19% | 0.193 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 90 | -0.1 | -175.4 | 0 | 0 | 0 | 0 | 0 | 114.3 | D460 | G285-D460 WeakPolarHBondContact CA-OD2 3.39Å; G285-D460 PolarHBondContact N-OD2 2.99Å |
| 286 | S | 76.3 | Confident | 82.1 | Confident | 0 Ų | 0 | 34.8 Ų | 34.8 | 0% | 0 | 19% | 0.19 | C | C | . | . | trans | -100.3 | 140.9 | -176.3 | 65.9 | 0 | 0 | 0 | 0 | 111.8 | F281 K283 G435 G436 | F281-S286 WeakPolarHBondContact CD1-OG 3.4Å; K283-S286 PolarHBondContact O-OG 3.43Å; S286-G435 CarbonylContact O-C 3.56Å; S286-G436 WeakPolarHBondContact O-CA 3.36Å; S286-G436 PolarHBondContact O-N 2.87Å | ||
| 287 | Y | 87.6 | Confident | 83.5 | Confident | 32 Ų | 32 | 34.3 Ų | 34.3 | 13% | 0.125 | 19% | 0.187 | C | C | . | . | trans | -151.4 | 150.8 | 178.2 | 69.2 | -82.4 | 0 | 0 | 0 | 111.5 | Y433 I434 G436 P438 W485 | Y287-Y433 HydrophobicContact CD2-CD1 4.01Å; Y287-Y433 HydrophobicContact CE2-CD1 4.31Å; Y287-I434 CarbonylContact C-O 3.52Å; Y287-I434 VanDerWaalsContact CA-O 3.24Å; Y287-I434 WeakPolarHBondContact CA-O 3.29Å; Y287-G436 VanDerWaalsContact CB-O 3.3Å; Y287-G436 WeakPolarHBondContact CB-O 3.08Å; Y287-P438 HydrophobicContact CD1-CB 4.43Å; Y287-P438 HydrophobicContact CE1-CB 3.67Å; Y287-P438 HydrophobicContact CE1-CG 4.3Å; Y287-P438 HydrophobicContact CE2-CB 4.43Å; Y287-P438 HydrophobicContact CE2-CG 4.28Å; Y287-W485 HydrophobicContact CE1-CB 4.31Å; Y287-W485 AromaticContact CE2-CD1 3.79Å; Y287-W485 HydrophobicContact CE2-CG 4.42Å; Y287-W485 AromaticContact CZ-CD1 3.71Å; Y287-W485 AromaticContact CZ-CG 3.97Å | ||
| 288 | L | 89.5 | Confident | 84.4 | Confident | 1 Ų | 1 | 37.7 Ų | 37.7 | 1% | 0.005 | 20% | 0.199 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.2 | 155.4 | 163.5 | -54.1 | 180 | 0 | 0 | 0 | 108.7 | V279 F281 Y433 I434 I477 E480 R481 V490 | V279-L288 HydrophobicContact CG2-CD1 3.96Å; F281-L288 HydrophobicContact CE1-CG 4.07Å; F281-L288 HydrophobicContact CE2-CD1 4.49Å; F281-L288 HydrophobicContact CZ-CD1 3.79Å; F281-L288 HydrophobicContact CZ-CG 3.76Å; L288-Y433 CarbonylContact O-C 3.55Å; L288-Y433 WeakPolarHBondContact O-CA 2.99Å; L288-I434 HydrophobicContact CB-CB 4.27Å; L288-I434 PolarHBondContact N-O 3.46Å; L288-I434 PolarHBondContact O-N 3.02Å; L288-I477 HydrophobicContact CD1-CB 4.34Å; L288-E480 HydrophobicContact CB-CB 4.47Å; L288-E480 HydrophobicContact CD1-CB 4.42Å; L288-E480 HydrophobicContact CD2-CB 4.42Å; L288-R481 HydrophobicContact CD2-CB 3.78Å; L288-V490 HydrophobicContact CD2-CB 4.46Å; L288-V490 HydrophobicContact CD2-CG1 4.21Å; L288-V490 HydrophobicContact CD2-CG2 4.21Å |
| 289 | R | 84.5 | Confident | 84.6 | Confident | 46 Ų | 46 | 37.4 Ų | 37.4 | 17% | 0.174 | 20% | 0.199 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.2 | 108.6 | 178.4 | -172.9 | -174.8 | 68.3 | -177.6 | 1.9 | 108.9 | E322 Y431 F432 Y433 | R289-E322 IonicContact CZ-OE2 3.73Å; R289-E322 IonicContact NH1-OE2 3.72Å; R289-E322 PolarHBondContact NH1-OE2 3.36Å; R289-Y431 HydrophobicContact CG-CD1 3.83Å; R289-Y431 HydrophobicContact CG-CG 4.21Å; R289-F432 WeakPolarHBondContact CA-O 3.4Å; R289-Y433 HydrophobicContact CG-CE1 4.38Å |
| 290 | I | 86.1 | Confident | 84.8 | Confident | 0 Ų | 0 | 39.6 Ų | 39.6 | 0% | 0 | 21% | 0.21 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.2 | 146.9 | -175.5 | -58.2 | -171 | 0 | 0 | 0 | 109.7 | G292 Y431 F432 I434 F468 W475 I477 E480 | I290-G292 PolarHBondContact O-N 3.05Å; I290-Y431 WeakPolarHBondContact O-CA 3.28Å; I290-F432 PolarHBondContact N-O 2.82Å; I290-F432 PolarHBondContact O-N 2.9Å; I290-I434 HydrophobicContact CB-CD1 4.14Å; I290-I434 HydrophobicContact CD1-CD1 3.34Å; I290-I434 HydrophobicContact CG1-CD1 3.68Å; I290-F468 HydrophobicContact CD1-CD1 4.1Å; I290-F468 HydrophobicContact CD1-CE1 4.41Å; I290-W475 HydrophobicContact CD1-CB 4.14Å; I290-W475 HydrophobicContact CD1-CG 4.4Å; I290-W475 HydrophobicContact CG2-CB 4.33Å; I290-W475 HydrophobicContact CG2-CD2 3.23Å; I290-W475 HydrophobicContact CG2-CE3 3.62Å; I290-W475 HydrophobicContact CG2-CG 3.55Å; I290-W475 HydrophobicContact CG2-CH2 4.17Å; I290-W475 HydrophobicContact CG2-CZ2 3.83Å; I290-W475 HydrophobicContact CG2-CZ3 4.06Å; I290-I477 HydrophobicContact CD1-CG2 3.89Å; I290-E480 HydrophobicContact CD1-CG 4.04Å; I290-E480 HydrophobicContact CG1-CB 4.47Å; I290-E480 HydrophobicContact CG1-CG 3.86Å |
| 291 | K | 82.3 | Confident | 85.1 | Confident | 71 Ų | 71 | 39.3 Ų | 39.3 | 31% | 0.309 | 21% | 0.207 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -65.7 | 116.1 | 170.5 | -60.3 | -177.5 | -173.6 | 169.7 | 0 | 110 | D145 E430 Y431 W475 | D145-K291 IonicContact OD1-NZ 3.14Å; D145-K291 PolarHBondContact OD1-NZ 3.02Å; K291-E430 CarbonylContact C-O 3.51Å; K291-E430 VanDerWaalsContact CA-O 3.31Å; K291-E430 WeakPolarHBondContact CA-O 3.16Å; K291-Y431 HydrophobicContact CG-CE1 4.16Å; K291-W475 HydrophobicContact CB-CH2 3.71Å; K291-W475 HydrophobicContact CB-CZ2 3.8Å; K291-W475 HydrophobicContact CD-CH2 4.34Å; K291-W475 HydrophobicContact CG-CH2 4.14Å; K291-W475 VanDerWaalsContact O-CZ2 3.26Å; K291-W475 WeakPolarHBondContact O-CZ2 3.45Å |
| 292 | G | 83 | Confident | 85.2 | Confident | 17 Ų | 17 | 40.7 Ų | 40.7 | 18% | 0.175 | 22% | 0.216 | C | C | . | . | trans | -107.2 | -138.9 | -178.2 | 0 | 0 | 0 | 0 | 0 | 113.1 | I290 E430 | I290-G292 PolarHBondContact O-N 3.05Å; G292-E430 PolarHBondContact N-O 2.79Å | ||
| 293 | W | 85.9 | Confident | 85.7 | Confident | 2 Ų | 2 | 39 Ų | 39 | 1% | 0.008 | 21% | 0.208 | C | C | . | . | trans | -91.2 | 145.9 | 179.5 | -59.2 | -23 | 0 | 0 | 0 | 111.1 | V296 E300 I301 F350 F399 L426 L428 E430 F432 N471 | W293-V296 HydrophobicContact CB-CB 4.38Å; W293-V296 HydrophobicContact CB-CG1 3.69Å; W293-V296 HydrophobicContact CB-CG2 3.74Å; W293-V296 HydrophobicContact CD2-CG2 3.91Å; W293-V296 HydrophobicContact CE3-CG2 3.92Å; W293-V296 HydrophobicContact CG-CB 4.46Å; W293-V296 HydrophobicContact CG-CG1 3.86Å; W293-V296 HydrophobicContact CG-CG2 3.85Å; W293-E300 VanDerWaalsContact CZ2-N 3.26Å; W293-I301 HydrophobicContact CH2-CD1 4.06Å; W293-I301 HydrophobicContact CH2-CG1 3.88Å; W293-I301 HydrophobicContact CZ2-CD1 3.96Å; W293-I301 HydrophobicContact CZ2-CG1 3.45Å; W293-I301 VanDerWaalsContact CZ2-CG1 3.45Å; W293-F350 HydrophobicContact CH2-CE2 4.16Å; W293-F350 HydrophobicContact CZ3-CD2 4.04Å; W293-F350 AromaticContact CZ3-CE2 3.66Å; W293-F350 HydrophobicContact CZ3-CE2 3.66Å; W293-F350 HydrophobicContact CZ3-CZ 4.36Å; W293-F399 HydrophobicContact CH2-CB 3.95Å; W293-F399 HydrophobicContact CZ3-CB 3.87Å; W293-L426 HydrophobicContact CE3-CD2 4.04Å; W293-L426 HydrophobicContact CZ3-CD2 4.31Å; W293-L428 HydrophobicContact CB-CD1 4.27Å; W293-L428 HydrophobicContact CE3-CD1 4.43Å; W293-L428 VanDerWaalsContact O-CB 3.32Å; W293-L428 WeakPolarHBondContact O-CB 3.32Å; W293-E430 WeakPolarHBondContact O-CA 3.01Å; W293-E430 PolarHBondContact O-N 2.78Å; W293-F432 HydrophobicContact CB-CZ 4.2Å; W293-F432 HydrophobicContact CD2-CE2 4.35Å; W293-F432 AromaticContact CD2-CZ 3.71Å; W293-F432 HydrophobicContact CD2-CZ 3.71Å; W293-F432 AromaticContact CE3-CZ 3.93Å; W293-F432 HydrophobicContact CE3-CZ 3.93Å; W293-F432 HydrophobicContact CG-CE2 4.26Å; W293-F432 AromaticContact CG-CZ 3.85Å; W293-F432 HydrophobicContact CG-CZ 3.85Å; W293-N471 PolarHBondContact NE1-ND2 3.35Å; W293-N471 PolarHBondContact NE1-OD1 2.85Å | ||
| 294 | K | 79.2 | Confident | 86.2 | Confident | 124 Ų | 124 | 36 Ų | 36 | 54% | 0.539 | 20% | 0.195 | S | C | . | . | S | Bend | trans | -106.3 | -99.6 | 169.3 | -171.2 | 177.7 | -178.5 | 171 | 0 | 108.8 | N427 L428 E430 | K294-N427 CarbonylContact O-C 3.52Å; K294-N427 WeakPolarHBondContact O-CA 3.27Å; K294-L428 WeakPolarHBondContact CA-O 3.06Å; K294-L428 PolarHBondContact O-N 3.05Å; K294-E430 HydrophobicContact CB-CB 4.28Å; K294-E430 HydrophobicContact CB-CG 4.47Å |
| 295 | V | 80.5 | Confident | 86.8 | Confident | 90 Ų | 90 | 33 Ų | 33 | 55% | 0.545 | 18% | 0.175 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -96.4 | 114.5 | 165.5 | -177.4 | 0 | 0 | 0 | 0 | 108 | Y425 L426 N427 | V295-Y425 HydrophobicContact CG1-CD1 4.3Å; V295-L426 CarbonylContact C-O 3.49Å; V295-L426 WeakPolarHBondContact CA-O 3.34Å; V295-N427 HydrophobicContact CG2-CB 4.28Å; V295-N427 WeakPolarHBondContact CG2-OD1 3.44Å |
| 296 | V | 81.7 | Confident | 87.4 | Confident | 19 Ų | 19 | 33.3 Ų | 33.3 | 12% | 0.115 | 16% | 0.164 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.5 | 140.1 | 178.7 | -65.4 | 0 | 0 | 0 | 0 | 111.3 | W293 F399 Y425 L426 | W293-V296 HydrophobicContact CB-CB 4.38Å; W293-V296 HydrophobicContact CB-CG1 3.69Å; W293-V296 HydrophobicContact CB-CG2 3.74Å; W293-V296 HydrophobicContact CD2-CG2 3.91Å; W293-V296 HydrophobicContact CE3-CG2 3.92Å; W293-V296 HydrophobicContact CG-CB 4.46Å; W293-V296 HydrophobicContact CG-CG1 3.86Å; W293-V296 HydrophobicContact CG-CG2 3.85Å; V296-F399 HydrophobicContact CG2-CD1 4.29Å; V296-F399 HydrophobicContact CG2-CE1 4.47Å; V296-Y425 WeakPolarHBondContact O-CA 3.32Å; V296-L426 HydrophobicContact CG2-CB 4.15Å; V296-L426 PolarHBondContact N-O 2.79Å; V296-L426 PolarHBondContact O-N 3.09Å |
| 297 | L | 84.3 | Confident | 88.1 | Confident | 43 Ų | 43 | 33.3 Ų | 33.3 | 23% | 0.225 | 16% | 0.164 | C | C | . | . | S | Bend | trans | -93.5 | -32.5 | 166.2 | -174.3 | 68.2 | 0 | 0 | 0 | 110.7 | F399 E401 K424 Y425 | L297-F399 WeakPolarHBondContact O-CE1 3.39Å; L297-E401 HydrophobicContact CD1-CB 4.23Å; L297-E401 HydrophobicContact CD1-CG 3.89Å; L297-E401 HydrophobicContact CD2-CG 4.22Å; L297-E401 HydrophobicContact CG-CG 3.91Å; L297-E401 PolarHBondContact O-N 2.76Å; L297-K424 HydrophobicContact CD1-CB 3.77Å; L297-Y425 HydrophobicContact CB-CD1 3.92Å; L297-Y425 HydrophobicContact CB-CE1 3.83Å; L297-Y425 HydrophobicContact CD1-CD1 3.95Å; L297-Y425 HydrophobicContact CD1-CE1 3.79Å; L297-Y425 HydrophobicContact CD1-CE2 4.44Å; L297-Y425 HydrophobicContact CD1-CG 4.36Å; L297-Y425 HydrophobicContact CD2-CE1 4.4Å; L297-Y425 HydrophobicContact CG-CE1 4.22Å |
| 298 | H | 88.6 | Confident | 88.2 | Confident | 102 Ų | 102 | 33.3 Ų | 33.3 | 47% | 0.472 | 17% | 0.167 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -133.8 | 137 | 178.1 | -57.5 | 69.2 | 0 | 0 | 0 | 108.5 | F399 D400 | H298-F399 CarbonylContact C-O 3.52Å; H298-F399 VanDerWaalsContact CA-O 3.26Å; H298-F399 WeakPolarHBondContact CA-O 3.2Å; H298-D400 IonicContact CD2-OD1 3.25Å; H298-D400 PolarHBondContact CD2-OD1 3.2Å; H298-D400 IonicContact CE1-OD1 3.2Å; H298-D400 IonicContact CG-OD1 2.62Å; H298-D400 IonicContact NE2-OD1 3Å; H298-D400 PolarHBondContact NE2-OD1 2.86Å |
| 299 | G | 90 | Very high | 88.1 | Confident | 5 Ų | 5 | 33.8 Ų | 33.8 | 5% | 0.052 | 17% | 0.17 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -152.3 | 142.3 | 178 | 0 | 0 | 0 | 0 | 0 | 111.3 | V398 F399 N471 | G299-V398 CarbonylContact O-C 3.54Å; G299-V398 WeakPolarHBondContact O-CA 3.4Å; G299-F399 PolarHBondContact N-O 3.45Å; G299-F399 PolarHBondContact O-N 3.11Å; G299-N471 WeakPolarHBondContact CA-OD1 3.17Å |
| 300 | E | 93.6 | Very high | 88.4 | Confident | 46 Ų | 46 | 35.7 Ų | 35.7 | 22% | 0.215 | 18% | 0.183 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.6 | 132 | 175.9 | -178.8 | 179 | -163.7 | 0 | 0 | 110.8 | W293 Q396 I397 V398 V470 N471 | W293-E300 VanDerWaalsContact CZ2-N 3.26Å; E300-Q396 PolarHBondContact OE1-NE2 2.76Å; E300-I397 CarbonylContact C-O 3.54Å; E300-I397 WeakPolarHBondContact CA-O 3.35Å; E300-V398 HydrophobicContact CG-CG2 4.31Å; E300-V470 CarbonylContact O-C 3.53Å; E300-V470 WeakPolarHBondContact O-CA 3.31Å; E300-N471 PolarHBondContact N-OD1 3.08Å; E300-N471 PolarHBondContact O-N 3.45Å; E300-N471 PolarHBondContact O-OD1 3.35Å |
| 301 | I | 94.8 | Very high | 88.6 | Confident | 0 Ų | 0 | 38.3 Ų | 38.3 | 0% | 0 | 20% | 0.197 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.7 | 131.2 | 170 | -52 | -179 | 0 | 0 | 0 | 107.7 | W293 F303 I315 F350 Q396 I397 F432 F468 I469 | W293-I301 HydrophobicContact CH2-CD1 4.06Å; W293-I301 HydrophobicContact CH2-CG1 3.88Å; W293-I301 HydrophobicContact CZ2-CD1 3.96Å; W293-I301 HydrophobicContact CZ2-CG1 3.45Å; W293-I301 VanDerWaalsContact CZ2-CG1 3.45Å; I301-F303 HydrophobicContact CG2-CD1 4.03Å; I301-F303 HydrophobicContact CG2-CE1 4.42Å; I301-I315 HydrophobicContact CG2-CD1 4.31Å; I301-F350 HydrophobicContact CD1-CE1 3.99Å; I301-F350 HydrophobicContact CD1-CZ 3.71Å; I301-Q396 CarbonylContact O-C 3.56Å; I301-Q396 WeakPolarHBondContact O-CA 3.4Å; I301-I397 HydrophobicContact CB-CB 4.43Å; I301-I397 PolarHBondContact N-O 3.12Å; I301-I397 PolarHBondContact O-N 3.38Å; I301-F432 HydrophobicContact CD1-CD2 4.29Å; I301-F432 HydrophobicContact CD1-CE1 4.16Å; I301-F432 HydrophobicContact CD1-CE2 3.64Å; I301-F432 HydrophobicContact CD1-CZ 3.6Å; I301-F432 HydrophobicContact CG1-CE2 4.4Å; I301-F468 HydrophobicContact CG2-CE1 4.13Å; I301-F468 HydrophobicContact CG2-CE2 4.45Å; I301-F468 HydrophobicContact CG2-CZ 3.87Å; I301-I469 CarbonylContact C-O 3.58Å; I301-I469 VanDerWaalsContact CA-O 3.29Å; I301-I469 WeakPolarHBondContact CA-O 3.23Å |
| 302 | T | 94.9 | Very high | 89.1 | Confident | 29 Ų | 29 | 34.9 Ų | 34.9 | 18% | 0.178 | 18% | 0.183 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.9 | 136.8 | 173.9 | -51.8 | 0 | 0 | 0 | 0 | 109.4 | I395 Q396 F468 I469 | T302-I395 CarbonylContact C-O 3.52Å; T302-I395 VanDerWaalsContact CA-O 3.26Å; T302-I395 WeakPolarHBondContact CA-O 3.34Å; T302-Q396 HydrophobicContact CG2-CB 4.37Å; T302-F468 CarbonylContact O-C 3.41Å; T302-I469 PolarHBondContact N-O 2.78Å; T302-I469 PolarHBondContact O-N 2.65Å |
| 303 | F | 95.3 | Very high | 89.7 | Confident | 0 Ų | 0 | 34.1 Ų | 34.1 | 0% | 0 | 17% | 0.174 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -157.2 | 163.1 | 174.7 | 60.2 | -84.2 | 0 | 0 | 0 | 110.7 | I301 L305 I314 I315 L352 I395 I397 L465 F468 | I301-F303 HydrophobicContact CG2-CD1 4.03Å; I301-F303 HydrophobicContact CG2-CE1 4.42Å; F303-L305 HydrophobicContact CD2-CB 4.31Å; F303-L305 HydrophobicContact CE2-CB 4.11Å; F303-I314 HydrophobicContact CE2-CG2 4.18Å; F303-I314 HydrophobicContact CZ-CG2 4.16Å; F303-I315 HydrophobicContact CD1-CD1 4.47Å; F303-I315 HydrophobicContact CE1-CD1 3.84Å; F303-I315 HydrophobicContact CZ-CD1 4.33Å; F303-L352 HydrophobicContact CE1-CD2 4.18Å; F303-L352 HydrophobicContact CZ-CD2 3.65Å; F303-I395 HydrophobicContact CD1-CB 4.47Å; F303-I395 HydrophobicContact CD2-CB 4.45Å; F303-I395 HydrophobicContact CD2-CD1 4.25Å; F303-I395 HydrophobicContact CE1-CB 4.08Å; F303-I395 HydrophobicContact CE1-CG2 3.81Å; F303-I395 HydrophobicContact CE2-CB 4.08Å; F303-I395 HydrophobicContact CE2-CD1 3.45Å; F303-I395 VanDerWaalsContact CE2-CD1 3.45Å; F303-I395 HydrophobicContact CE2-CG1 4.34Å; F303-I395 HydrophobicContact CE2-CG2 4.43Å; F303-I395 HydrophobicContact CZ-CB 3.87Å; F303-I395 HydrophobicContact CZ-CD1 3.73Å; F303-I395 HydrophobicContact CZ-CG1 4.42Å; F303-I395 HydrophobicContact CZ-CG2 3.73Å; F303-I395 PolarHBondContact N-O 3.39Å; F303-I395 PolarHBondContact O-N 2.87Å; F303-I397 HydrophobicContact CE1-CD1 4.38Å; F303-L465 HydrophobicContact CD2-CD2 3.8Å; F303-L465 HydrophobicContact CE2-CD2 3.91Å; F303-F468 HydrophobicContact CB-CB 4.47Å; F303-F468 HydrophobicContact CB-CD2 3.56Å; F303-F468 HydrophobicContact CB-CE2 4.1Å; F303-F468 HydrophobicContact CB-CG 4.27Å; F303-F468 HydrophobicContact CD1-CD2 4.28Å; F303-F468 AromaticContact CD1-CE2 3.94Å; F303-F468 HydrophobicContact CD1-CE2 3.94Å; F303-F468 AromaticContact CG-CD2 3.98Å; F303-F468 HydrophobicContact CG-CD2 3.98Å; F303-F468 HydrophobicContact CG-CE2 4.03Å |
| 304 | I | 93.8 | Very high | 90.1 | Very high | 24 Ų | 24 | 34 Ų | 34 | 12% | 0.123 | 17% | 0.174 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.1 | 133.7 | 170.6 | -58.9 | 176.3 | 0 | 0 | 0 | 108.4 | F278 E392 H393 L465 G466 E467 | F278-I304 HydrophobicContact CE1-CB 4.1Å; F278-I304 HydrophobicContact CE1-CG2 3.89Å; F278-I304 HydrophobicContact CZ-CB 4.03Å; F278-I304 HydrophobicContact CZ-CD1 4.38Å; F278-I304 HydrophobicContact CZ-CG2 3.84Å; I304-E392 HydrophobicContact CG2-CB 4.02Å; I304-E392 HydrophobicContact CG2-CG 4.3Å; I304-H393 WeakPolarHBondContact CA-O 3.08Å; I304-L465 CarbonylContact O-C 3.5Å; I304-L465 WeakPolarHBondContact O-CA 3.5Å; I304-G466 PolarHBondContact N-O 3.11Å; I304-G466 PolarHBondContact O-N 2.86Å; I304-E467 HydrophobicContact CD1-CB 4.29Å; I304-E467 HydrophobicContact CD1-CG 4.11Å; I304-E467 WeakPolarHBondContact CD1-OE2 3.35Å; I304-E467 HydrophobicContact CG1-CB 4.37Å |
| 305 | L | 93.3 | Very high | 90.8 | Very high | 0 Ų | 0 | 28.1 Ų | 28.1 | 0% | 0 | 15% | 0.148 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.9 | 144.5 | -180 | 167.7 | 75.9 | 0 | 0 | 0 | 109.9 | F303 T307 I314 I387 E392 H393 I395 F461 C464 L465 | F303-L305 HydrophobicContact CD2-CB 4.31Å; F303-L305 HydrophobicContact CE2-CB 4.11Å; L305-T307 HydrophobicContact CD1-CG2 4.42Å; L305-I314 HydrophobicContact CD2-CD1 4.39Å; L305-I387 HydrophobicContact CD2-CD1 3.47Å; L305-I387 VanDerWaalsContact CD2-CD1 3.47Å; L305-E392 WeakPolarHBondContact O-CA 3.4Å; L305-H393 PolarHBondContact N-O 2.89Å; L305-H393 PolarHBondContact O-N 3.01Å; L305-I395 HydrophobicContact CB-CD1 3.62Å; L305-I395 HydrophobicContact CD2-CD1 3.6Å; L305-I395 HydrophobicContact CG-CD1 4.25Å; L305-F461 HydrophobicContact CD1-CD2 4.46Å; L305-F461 HydrophobicContact CD1-CE1 4.03Å; L305-F461 HydrophobicContact CD1-CE2 3.37Å; L305-F461 HydrophobicContact CD1-CZ 3.09Å; L305-F461 HydrophobicContact CG-CZ 4.5Å; L305-C464 WeakPolarHBondContact CA-O 3Å; L305-L465 HydrophobicContact CB-CD2 4.16Å; L305-L465 HydrophobicContact CD1-CD2 3.53Å; L305-L465 HydrophobicContact CG-CD2 4.47Å |
| 306 | R | 90.8 | Very high | 91.4 | Very high | 49 Ų | 49 | 23.8 Ų | 23.8 | 19% | 0.185 | 12% | 0.122 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -141.9 | 124.9 | 166.4 | -171.7 | 179.3 | -178.2 | -170.8 | 2 | 110.2 | G390 K391 G463 C464 L496 W518 | R306-G390 PolarHBondContact NE-O 3.09Å; R306-G390 PolarHBondContact NH2-O 2.84Å; R306-K391 WeakPolarHBondContact CA-O 3.49Å; R306-K391 WeakPolarHBondContact CG-O 3.31Å; R306-G463 CarbonylContact O-C 3.54Å; R306-G463 WeakPolarHBondContact O-CA 3.15Å; R306-C464 HydrophobicContact CB-CB 4.19Å; R306-C464 PolarHBondContact N-O 3.04Å; R306-C464 PolarHBondContact O-N 3.22Å; R306-L496 VanDerWaalsContact CZ-CB 3.5Å; R306-L496 VanDerWaalsContact NH2-CB 3.31Å; R306-W518 HydrophobicContact CB-CH2 4.23Å; R306-W518 HydrophobicContact CG-CH2 3.42Å; R306-W518 VanDerWaalsContact CG-CH2 3.42Å; R306-W518 HydrophobicContact CG-CZ2 4.37Å; R306-W518 HydrophobicContact CG-CZ3 3.61Å |
| 307 | T | 91.5 | Very high | 91.7 | Very high | 0 Ų | 0 | 22.9 Ų | 22.9 | 0% | 0 | 12% | 0.117 | C | C | . | . | trans | -158.4 | 161.7 | -179.2 | -167.4 | 0 | 0 | 0 | 0 | 113.3 | L305 T309 L354 S388 D389 G390 F461 V462 | L305-T307 HydrophobicContact CD1-CG2 4.42Å; T307-T309 PolarHBondContact OG1-N 2.91Å; T307-T309 PolarHBondContact OG1-OG1 2.74Å; T307-L354 HydrophobicContact CG2-CD1 3.88Å; T307-S388 CarbonylContact O-C 3.58Å; T307-S388 VanDerWaalsContact O-CA 3.28Å; T307-S388 WeakPolarHBondContact O-CA 3.42Å; T307-D389 PolarHBondContact O-N 3.06Å; T307-G390 VanDerWaalsContact O-CA 3.3Å; T307-G390 WeakPolarHBondContact O-CA 3.39Å; T307-G390 PolarHBondContact O-N 2.98Å; T307-F461 HydrophobicContact CG2-CE2 3.94Å; T307-V462 PolarHBondContact OG1-O 2.58Å | ||
| 308 | T | 88.3 | Confident | 91.5 | Very high | 31 Ų | 31 | 21.4 Ų | 21.4 | 19% | 0.19 | 11% | 0.109 | C | C | . | . | trans | -117.5 | 2 | 164.3 | 54.8 | 0 | 0 | 0 | 0 | 112 | S517 W518 | T308-S517 VanDerWaalsContact OG1-C 3.31Å; T308-W518 HydrophobicContact CG2-CE3 4.24Å; T308-W518 VanDerWaalsContact OG1-CA 3.31Å; T308-W518 WeakPolarHBondContact OG1-CA 3.37Å; T308-W518 PolarHBondContact OG1-N 2.8Å; T308-W518 VanDerWaalsContact OG1-N 3.09Å | ||
| 309 | T | 88.8 | Confident | 90.7 | Very high | 12 Ų | 12 | 17.9 Ų | 17.9 | 7% | 0.074 | 10% | 0.096 | C | C | . | . | trans | -74 | 134.6 | 177.1 | 51.1 | 0 | 0 | 0 | 0 | 111.6 | T307 S388 V462 S517 | T307-T309 PolarHBondContact OG1-N 2.91Å; T307-T309 PolarHBondContact OG1-OG1 2.74Å; T309-S388 WeakPolarHBondContact O-CB 3.35Å; T309-S388 PolarHBondContact O-OG 3.27Å; T309-V462 HydrophobicContact CG2-CB 3.69Å; T309-V462 HydrophobicContact CG2-CG2 4.44Å; T309-V462 VanDerWaalsContact CG2-O 3.31Å; T309-V462 WeakPolarHBondContact CG2-O 3.35Å; T309-V462 PolarHBondContact OG1-O 2.98Å; T309-S517 WeakPolarHBondContact CG2-OG 3.38Å | ||
| 310 | L | 89.3 | Confident | 89.5 | Confident | 85 Ų | 85 | 18.3 Ų | 18.3 | 45% | 0.445 | 10% | 0.097 | S | C | . | . | S | Bend | trans | -81.3 | -30.7 | -179 | -63.8 | 178.1 | 0 | 0 | 0 | 112.9 | R355 L356 G357 F386 | L310-R355 CarbonylContact O-C 3.54Å; L310-L356 PolarHBondContact O-N 3.21Å; L310-G357 PolarHBondContact O-N 3.3Å; L310-F386 HydrophobicContact CD2-CE2 3.92Å; L310-F386 HydrophobicContact CD2-CZ 4.06Å |
| 311 | N | 90.8 | Very high | 87.6 | Confident | 55 Ų | 55 | 18 Ų | 18 | 29% | 0.294 | 10% | 0.097 | S | C | . | . | S | Bend | trans | -134.4 | 145.4 | -179.9 | -49 | -69.1 | 0 | 0 | 0 | 109.5 | L354 R355 L356 | N311-L354 VanDerWaalsContact CA-O 3.29Å; N311-L354 WeakPolarHBondContact CA-O 3.31Å; N311-R355 WeakPolarHBondContact OD1-CA 3.5Å; N311-L356 PolarHBondContact OD1-N 2.92Å |
| 312 | G | 92.7 | Very high | 85.5 | Confident | 0 Ų | 0 | 19.2 Ų | 19.2 | 0% | 0 | 10% | 0.102 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 169.1 | 135.4 | -176 | 0 | 0 | 0 | 0 | 0 | 113.3 | I314 E353 L354 Q459 | G312-I314 PolarHBondContact O-N 2.74Å; G312-E353 CarbonylContact O-C 3.59Å; G312-E353 WeakPolarHBondContact O-CA 3.32Å; G312-L354 PolarHBondContact N-O 2.79Å; G312-L354 PolarHBondContact O-N 3.41Å; G312-Q459 CarbonylContact C-O 3.55Å; G312-Q459 WeakPolarHBondContact CA-O 3.38Å |
| 313 | L | 95 | Very high | 83.1 | Confident | 0 Ų | 0 | 21.3 Ų | 21.3 | 0% | 0 | 11% | 0.11 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -74.4 | 117.1 | 174 | -176.9 | 65.1 | 0 | 0 | 0 | 110.8 | E353 G435 L437 V452 A455 Q459 F461 | L313-E353 HydrophobicContact CD1-CB 4.37Å; L313-G435 CarbonylContact O-C 3.57Å; L313-G435 WeakPolarHBondContact O-CA 3.37Å; L313-G435 VanDerWaalsContact O-O 3.13Å; L313-L437 HydrophobicContact CD2-CD1 3.67Å; L313-L437 HydrophobicContact CD2-CD2 4.44Å; L313-L437 HydrophobicContact CD2-CG 3.56Å; L313-V452 HydrophobicContact CD1-CG1 3.95Å; L313-A455 HydrophobicContact CD2-CB 4.24Å; L313-Q459 PolarHBondContact N-O 3.14Å; L313-F461 WeakPolarHBondContact O-CB 3.31Å |
| 314 | I | 95.1 | Very high | 80.7 | Confident | 0 Ų | 0 | 24.8 Ų | 24.8 | 0% | 0 | 13% | 0.126 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -92 | -52.4 | -179 | -50.3 | -179.4 | 0 | 0 | 0 | 111.1 | F303 L305 G312 L352 L354 L359 I434 G435 F461 L465 | F303-I314 HydrophobicContact CE2-CG2 4.18Å; F303-I314 HydrophobicContact CZ-CG2 4.16Å; L305-I314 HydrophobicContact CD2-CD1 4.39Å; G312-I314 PolarHBondContact O-N 2.74Å; I314-L352 WeakPolarHBondContact CA-O 3.5Å; I314-L352 HydrophobicContact CB-CD2 4.12Å; I314-L352 HydrophobicContact CB-CG 4.33Å; I314-L352 WeakPolarHBondContact CB-O 3.18Å; I314-L352 HydrophobicContact CD1-CD2 4.06Å; I314-L352 HydrophobicContact CD1-CG 4.26Å; I314-L352 HydrophobicContact CG2-CD2 4.18Å; I314-L352 PolarHBondContact N-O 2.79Å; I314-L354 HydrophobicContact CD1-CD1 4.49Å; I314-L354 HydrophobicContact CD1-CD2 4.04Å; I314-L354 HydrophobicContact CD1-CG 3.89Å; I314-L354 HydrophobicContact CG1-CG 4.18Å; I314-L359 HydrophobicContact CD1-CD2 3.59Å; I314-I434 CarbonylContact O-C 3.5Å; I314-I434 VanDerWaalsContact O-CA 3.27Å; I314-I434 WeakPolarHBondContact O-CA 3.5Å; I314-G435 PolarHBondContact O-N 2.82Å; I314-F461 HydrophobicContact CG1-CD2 4.19Å; I314-L465 HydrophobicContact CG2-CD1 4.42Å; I314-L465 HydrophobicContact CG2-CD2 4.36Å |
| 315 | I | 94.6 | Very high | 78.2 | Confident | 0 Ų | 0 | 24.5 Ų | 24.5 | 0% | 0 | 13% | 0.125 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -136.1 | 138.6 | -179.6 | -53.4 | 176.7 | 0 | 0 | 0 | 108.9 | I301 F303 F350 A351 L352 F432 Y433 F468 | I301-I315 HydrophobicContact CG2-CD1 4.31Å; F303-I315 HydrophobicContact CD1-CD1 4.47Å; F303-I315 HydrophobicContact CE1-CD1 3.84Å; F303-I315 HydrophobicContact CZ-CD1 4.33Å; I315-F350 HydrophobicContact CB-CE1 4.3Å; I315-F350 HydrophobicContact CG2-CD1 4.1Å; I315-F350 HydrophobicContact CG2-CE1 3.77Å; I315-A351 CarbonylContact O-C 3.58Å; I315-A351 VanDerWaalsContact O-CA 3.31Å; I315-A351 WeakPolarHBondContact O-CA 3.22Å; I315-L352 HydrophobicContact CB-CB 4.14Å; I315-L352 HydrophobicContact CD1-CD2 4.29Å; I315-L352 HydrophobicContact CG1-CD2 4.47Å; I315-L352 PolarHBondContact N-O 3.04Å; I315-L352 PolarHBondContact O-N 3.24Å; I315-F432 HydrophobicContact CG2-CB 4.1Å; I315-F432 HydrophobicContact CG2-CD1 3.72Å; I315-F432 HydrophobicContact CG2-CG 4.1Å; I315-Y433 CarbonylContact C-O 3.46Å; I315-Y433 VanDerWaalsContact CA-O 3.32Å; I315-Y433 WeakPolarHBondContact CA-O 2.89Å; I315-F468 HydrophobicContact CD1-CE2 4.06Å; I315-F468 HydrophobicContact CD1-CZ 3.87Å |
| 316 | Y | 91.8 | Very high | 75.7 | Confident | 0 Ų | 0 | 29.9 Ų | 29.9 | 0% | 0 | 15% | 0.148 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -140.5 | 139.8 | 171.4 | -175.2 | -95.2 | 0 | 0 | 0 | 111.3 | N318 I349 F350 A351 Y433 L437 F447 V452 | Y316-N318 HydrophobicContact CE1-CB 4.35Å; Y316-I349 HydrophobicContact CE2-CG2 4.24Å; Y316-F350 CarbonylContact C-O 3.38Å; Y316-F350 WeakPolarHBondContact CA-O 3.12Å; Y316-A351 HydrophobicContact CD2-CB 3.94Å; Y316-Y433 HydrophobicContact CD1-CD2 4.14Å; Y316-Y433 PolarHBondContact N-O 3.46Å; Y316-Y433 WeakPolarHBondContact O-CD2 3.29Å; Y316-Y433 PolarHBondContact O-N 2.67Å; Y316-L437 HydrophobicContact CD1-CD1 4.16Å; Y316-L437 HydrophobicContact CD1-CD2 3.5Å; Y316-L437 HydrophobicContact CD1-CG 4.41Å; Y316-L437 HydrophobicContact CE1-CD1 4.46Å; Y316-L437 HydrophobicContact CE1-CD2 4.26Å; Y316-L437 HydrophobicContact CG-CD1 4.22Å; Y316-L437 HydrophobicContact CG-CD2 3.95Å; Y316-F447 PolarHBondContact OH-O 3.11Å; Y316-V452 HydrophobicContact CD2-CG1 4.38Å; Y316-V452 HydrophobicContact CE2-CG2 4.26Å |
| 317 | S | 88 | Confident | 72.9 | Confident | 0 Ų | 0 | 30 Ų | 30 | 0% | 0 | 16% | 0.156 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -154.2 | 156.5 | 169.2 | -174.2 | 0 | 0 | 0 | 0 | 109.9 | F350 N429 Y431 | S317-F350 PolarHBondContact N-O 2.77Å; S317-F350 PolarHBondContact O-N 2.78Å; S317-N429 PolarHBondContact OG-OD1 3.36Å; S317-Y431 WeakPolarHBondContact CB-O 3.48Å; S317-Y431 PolarHBondContact OG-O 3.33Å |
| 318 | N | 81.8 | Confident | 70.1 | Confident | 11 Ų | 11 | 38.5 Ų | 38.5 | 6% | 0.059 | 19% | 0.188 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -147.5 | 175 | 179.1 | 64.9 | 5.3 | 0 | 0 | 0 | 110.4 | Y316 I320 D348 L428 N429 | Y316-N318 HydrophobicContact CE1-CB 4.35Å; N318-I320 VanDerWaalsContact C-N 3.26Å; N318-I320 PolarHBondContact O-N 2.79Å; N318-I320 PolarHBondContact OD1-N 2.84Å; N318-I320 PolarHBondContact OD1-O 2.86Å; N318-D348 CarbonylContact C-O 3.56Å; N318-D348 VanDerWaalsContact CA-O 3.24Å; N318-D348 WeakPolarHBondContact CA-O 3.3Å; N318-L428 CarbonylContact O-C 3.59Å; N318-L428 WeakPolarHBondContact O-CA 3.4Å; N318-N429 WeakPolarHBondContact O-CB 3.5Å; N318-N429 PolarHBondContact O-N 3.33Å; N318-N429 PolarHBondContact O-OD1 3.19Å; N318-N429 PolarHBondContact OD1-ND2 3.45Å |
| 319 | S | 71.7 | Confident | 67.5 | Low | 28 Ų | 28 | 44.8 Ų | 44.8 | 20% | 0.196 | 21% | 0.209 | C | C | . | . | S | Bend | trans | -73.7 | -3.1 | 179.9 | 62.8 | 0 | 0 | 0 | 0 | 116 | D348 N427 | S319-D348 PolarHBondContact N-O 2.61Å; S319-N427 WeakPolarHBondContact CA-O 3.48Å; S319-N427 WeakPolarHBondContact CB-O 3.32Å |
| 320 | I | 62.9 | Low | 65.1 | Low | 14 Ų | 14 | 49.5 Ų | 49.5 | 7% | 0.072 | 23% | 0.233 | C | C | . | . | trans | -106.3 | 126.6 | -168.6 | -58.4 | 157 | 0 | 0 | 0 | 111.2 | N318 L325 F347 N429 F447 | N318-I320 VanDerWaalsContact C-N 3.26Å; N318-I320 PolarHBondContact O-N 2.79Å; N318-I320 PolarHBondContact OD1-N 2.84Å; N318-I320 PolarHBondContact OD1-O 2.86Å; I320-L325 HydrophobicContact CG2-CD1 4.47Å; I320-L325 HydrophobicContact CG2-CD2 4.06Å; I320-L325 HydrophobicContact CG2-CG 4.19Å; I320-F347 HydrophobicContact CD1-CD1 3.74Å; I320-F347 HydrophobicContact CD1-CE1 3.55Å; I320-F347 HydrophobicContact CG1-CD1 4.03Å; I320-F347 HydrophobicContact CG1-CE1 3.75Å; I320-N429 VanDerWaalsContact C-CB 3.49Å; I320-N429 WeakPolarHBondContact O-CB 2.94Å; I320-N429 PolarHBondContact O-ND2 2.83Å; I320-F447 HydrophobicContact CD1-CB 3.8Å; I320-F447 HydrophobicContact CD1-CD1 3.2Å; I320-F447 HydrophobicContact CD1-CD2 3.44Å; I320-F447 VanDerWaalsContact CD1-CD2 3.44Å; I320-F447 HydrophobicContact CD1-CE1 3.47Å; I320-F447 VanDerWaalsContact CD1-CE1 3.47Å; I320-F447 HydrophobicContact CD1-CE2 3.77Å; I320-F447 HydrophobicContact CD1-CG 3.22Å; I320-F447 HydrophobicContact CD1-CZ 3.77Å; I320-F447 HydrophobicContact CG2-CD2 4.45Å; I320-F447 HydrophobicContact CG2-CE2 4.28Å | ||
| 321 | N | 54.8 | Low | 62.4 | Low | 40 Ų | 40 | 51.7 Ų | 51.7 | 21% | 0.214 | 25% | 0.245 | C | C | . | . | trans | -82.9 | 139.7 | -177.6 | -165.6 | -38.1 | 0 | 0 | 0 | 112.7 | H323 E324 L325 | N321-H323 PolarHBondContact O-N 2.82Å; N321-H323 PolarHBondContact OD1-N 2.78Å; N321-E324 HydrophobicContact CB-CB 4.3Å; N321-E324 HydrophobicContact CB-CG 3.95Å; N321-E324 PolarHBondContact N-OE2 2.92Å; N321-E324 VanDerWaalsContact O-CB 3.31Å; N321-E324 WeakPolarHBondContact O-CB 3.36Å; N321-E324 PolarHBondContact O-N 3.1Å; N321-E324 VanDerWaalsContact O-N 3.08Å; N321-L325 WeakPolarHBondContact O-CG 3.48Å; N321-L325 PolarHBondContact O-N 2.86Å; N321-L325 VanDerWaalsContact O-N 3.1Å | ||
| 322 | E | 49.7 | Very low | 59.6 | Low | 25 Ų | 25 | 54.5 Ų | 54.5 | 12% | 0.117 | 26% | 0.256 | C | S | . | . | H | α-helix | trans | -59.1 | -32.4 | 171.1 | -71.8 | -174.3 | 143.6 | 0 | 0 | 113.4 | R289 E324 L325 F326 Y433 | R289-E322 IonicContact CZ-OE2 3.73Å; R289-E322 IonicContact NH1-OE2 3.72Å; R289-E322 PolarHBondContact NH1-OE2 3.36Å; E322-E324 VanDerWaalsContact C-N 3.29Å; E322-L325 CarbonylContact O-C 3.45Å; E322-L325 WeakPolarHBondContact O-CA 3.26Å; E322-L325 WeakPolarHBondContact O-CB 3.41Å; E322-L325 PolarHBondContact O-N 3.17Å; E322-F326 PolarHBondContact O-N 2.77Å; E322-Y433 WeakPolarHBondContact CG-OH 3.15Å; E322-Y433 PolarHBondContact OE1-OH 3.14Å |
| 323 | H | 44.5 | Very low | 56.7 | Low | 74 Ų | 74 | 59.2 Ų | 59.2 | 34% | 0.343 | 29% | 0.287 | S | S | . | . | H | α-helix | trans | -73 | -23.4 | 176.4 | -69.9 | -33.5 | 0 | 0 | 0 | 113 | N321 R328 | N321-H323 PolarHBondContact O-N 2.82Å; N321-H323 PolarHBondContact OD1-N 2.78Å; H323-R328 PolarHBondContact CE1-NE 2.8Å; H323-R328 PolarHBondContact CE1-NH2 2.84Å; H323-R328 PolarHBondContact NE2-NH2 2.76Å |
| 324 | E | 44.7 | Very low | 53.9 | Low | 72 Ų | 72 | 61 Ų | 61 | 34% | 0.336 | 30% | 0.296 | S | S | . | . | H | α-helix | trans | -67.5 | -47.3 | 162.8 | -68.1 | 167.2 | 171.6 | 0 | 0 | 108.2 | N321 E322 F326 M1176 | N321-E324 HydrophobicContact CB-CB 4.3Å; N321-E324 HydrophobicContact CB-CG 3.95Å; N321-E324 PolarHBondContact N-OE2 2.92Å; N321-E324 VanDerWaalsContact O-CB 3.31Å; N321-E324 WeakPolarHBondContact O-CB 3.36Å; N321-E324 PolarHBondContact O-N 3.1Å; N321-E324 VanDerWaalsContact O-N 3.08Å; E322-E324 VanDerWaalsContact C-N 3.29Å; E324-F326 PolarHBondContact O-N 2.79Å; E324-M1176 VanDerWaalsContact C-CE 3.46Å; E324-M1176 HydrophobicContact CB-CE 3.86Å; E324-M1176 HydrophobicContact CB-SD 4.14Å; E324-M1176 WeakPolarHBondContact O-CE 3.13Å; E324-M1176 WeakPolarHBondContact O-CG 3.36Å |
| 325 | L | 41.7 | Very low | 50.9 | Low | 18 Ų | 18 | 67.4 Ų | 67.4 | 9% | 0.094 | 33% | 0.33 | C | S | . | . | H | α-helix | trans | -61.7 | -35.1 | -179.7 | -59.8 | 171.8 | 0 | 0 | 0 | 114.7 | I320 N321 E322 I444 F447 M1176 | I320-L325 HydrophobicContact CG2-CD1 4.47Å; I320-L325 HydrophobicContact CG2-CD2 4.06Å; I320-L325 HydrophobicContact CG2-CG 4.19Å; N321-L325 WeakPolarHBondContact O-CG 3.48Å; N321-L325 PolarHBondContact O-N 2.86Å; N321-L325 VanDerWaalsContact O-N 3.1Å; E322-L325 CarbonylContact O-C 3.45Å; E322-L325 WeakPolarHBondContact O-CA 3.26Å; E322-L325 WeakPolarHBondContact O-CB 3.41Å; E322-L325 PolarHBondContact O-N 3.17Å; L325-I444 HydrophobicContact CD1-CD1 3.84Å; L325-I444 HydrophobicContact CD2-CD1 4.03Å; L325-I444 HydrophobicContact CG-CD1 4.37Å; L325-F447 HydrophobicContact CD2-CD2 4.42Å; L325-F447 HydrophobicContact CD2-CE2 3.91Å; L325-M1176 HydrophobicContact CD2-SD 4.5Å |
| 326 | F | 40.9 | Very low | 48 | Very low | 113 Ų | 113 | 70.1 Ų | 70.1 | 50% | 0.496 | 34% | 0.344 | S | S | . | . | S | Bend | trans | -142.7 | 94.4 | -177 | -54.8 | -80.9 | 0 | 0 | 0 | 111.9 | E322 E324 R328 | E322-F326 PolarHBondContact O-N 2.77Å; E324-F326 PolarHBondContact O-N 2.79Å; F326-R328 PolarHBondContact O-N 2.8Å |
| 327 | P | 32 | Very low | 45.1 | Very low | 52 Ų | 52 | 75.5 Ų | 75.5 | 34% | 0.338 | 37% | 0.369 | S | S | . | . | trans | -65.6 | 126.9 | 175.1 | 22.9 | -30.1 | 0 | 0 | 0 | 111.1 | Y329 | P327-Y329 PolarHBondContact O-N 2.96Š| ||
| 328 | R | 33.1 | Very low | 42.2 | Very low | 179 Ų | 179 | 82.1 Ų | 82.1 | 68% | 0.675 | 41% | 0.405 | S | S | * | . | S | Bend | trans | -66.2 | -23.4 | 179.5 | -70.3 | -167.9 | -149.4 | -171.3 | 5.4 | 113.3 | H323 F326 | H323-R328 PolarHBondContact CE1-NE 2.8Å; H323-R328 PolarHBondContact CE1-NH2 2.84Å; H323-R328 PolarHBondContact NE2-NH2 2.76Å; F326-R328 PolarHBondContact O-N 2.8Å |
| 329 | Y | 34.3 | Very low | 39.9 | Very low | 162 Ų | 162 | 83.8 Ų | 83.8 | 64% | 0.635 | 41% | 0.413 | S | S | * | . | S | Bend | trans | -134.4 | 120.2 | -177.3 | -63.5 | -77.4 | 0 | 0 | 0 | 110 | P327 N331 E332 | P327-Y329 PolarHBondContact O-N 2.96Å; Y329-N331 PolarHBondContact O-N 2.74Å; Y329-E332 PolarHBondContact O-N 2.84Å |
| 330 | I | 37.3 | Very low | 37.9 | Very low | 112 Ų | 112 | 88.7 Ų | 88.7 | 57% | 0.574 | 43% | 0.433 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -57.3 | -21 | -176.7 | -64.1 | 167.2 | 0 | 0 | 0 | 113.2 | Y1173 | I330-Y1173 HydrophobicContact CG2-CD1 4.25Å; I330-Y1173 HydrophobicContact CG2-CE1 3.36Å |
| 331 | N | 33.6 | Very low | 36.3 | Very low | 131 Ų | 131 | 96.8 Ų | 96.8 | 70% | 0.701 | 47% | 0.47 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -109.7 | 10.2 | -174.5 | -71.4 | -7 | 0 | 0 | 0 | 114.8 | Y329 P333 | Y329-N331 PolarHBondContact O-N 2.74Å; N331-P333 VanDerWaalsContact O-CD 3.31Å; N331-P333 WeakPolarHBondContact O-CD 3.37Å |
| 332 | E | 32.3 | Very low | 35.2 | Very low | 113 Ų | 113 | 98.4 Ų | 98.4 | 53% | 0.528 | 48% | 0.481 | S | S | . | . | S | Bend | trans | -69.5 | 119.2 | 162 | -84.1 | -173.9 | 168 | 0 | 0 | 107.7 | Y329 N334 | Y329-E332 PolarHBondContact O-N 2.84Å; E332-N334 PolarHBondContact O-N 2.84Å |
| 333 | P | 31.8 | Very low | 34.5 | Very low | 100 Ų | 100 | 101.6 Ų | 101.6 | 65% | 0.649 | 50% | 0.495 | S | S | * | . | trans | -58.2 | 114 | 170.7 | 23.5 | -29.4 | 0 | 0 | 0 | 106.7 | N331 L335 | N331-P333 VanDerWaalsContact O-CD 3.31Å; N331-P333 WeakPolarHBondContact O-CD 3.37Å; P333-L335 PolarHBondContact O-N 3.09Å | ||
| 334 | N | 35.9 | Very low | 34 | Very low | 36 Ų | 36 | 106.8 Ų | 106.8 | 19% | 0.193 | 52% | 0.519 | C | S | . | . | trans | -34.7 | 114.5 | -178.4 | -67.7 | -22.4 | 0 | 0 | 0 | 110.3 | E332 L336 E337 | E332-N334 PolarHBondContact O-N 2.84Å; N334-L336 HydrophobicContact CB-CB 4.12Å; N334-L336 PolarHBondContact O-N 2.78Å; N334-E337 PolarHBondContact O-N 2.78Å; N334-E337 VanDerWaalsContact O-N 3.08Å | ||
| 335 | L | 31.9 | Very low | 33.7 | Very low | 135 Ų | 135 | 106.6 Ų | 106.6 | 71% | 0.707 | 52% | 0.523 | S | S | * | . | G | 310 helix | trans | -54 | -8.5 | 172.7 | -84.7 | 156.4 | 0 | 0 | 0 | 112.8 | P333 E337 N338 | P333-L335 PolarHBondContact O-N 3.09Å; L335-E337 VanDerWaalsContact C-N 3.27Å; L335-E337 PolarHBondContact O-N 2.93Å; L335-N338 PolarHBondContact O-N 2.93Å |
| 336 | L | 34 | Very low | 33.9 | Very low | 58 Ų | 58 | 107 Ų | 107 | 30% | 0.304 | 53% | 0.531 | S | S | . | . | G | 310 helix | trans | -59 | -21.2 | 168.1 | -92.7 | 132.6 | 0 | 0 | 0 | 116 | N334 N338 I339 M1176 | N334-L336 HydrophobicContact CB-CB 4.12Å; N334-L336 PolarHBondContact O-N 2.78Å; L336-N338 PolarHBondContact O-N 3.16Å; L336-I339 HydrophobicContact CB-CD1 4.49Å; L336-I339 HydrophobicContact CD2-CD1 4.12Å; L336-I339 HydrophobicContact CG-CD1 3.83Å; L336-I339 PolarHBondContact O-N 3.14Å; L336-I339 VanDerWaalsContact O-N 3.12Å; L336-M1176 HydrophobicContact CD1-CE 3.58Å |
| 337 | E | 29.6 | Very low | 35 | Very low | 112 Ų | 112 | 105 Ų | 105 | 52% | 0.523 | 52% | 0.522 | S | S | . | . | G | 310 helix | trans | -62 | -23.8 | 173.1 | -96.3 | 168.8 | -147.2 | 0 | 0 | 112.3 | N334 L335 R1185 | N334-E337 PolarHBondContact O-N 2.78Å; N334-E337 VanDerWaalsContact O-N 3.08Å; L335-E337 VanDerWaalsContact C-N 3.27Å; L335-E337 PolarHBondContact O-N 2.93Å; E337-R1185 IonicContact OE1-CZ 3.58Å; E337-R1185 IonicContact OE1-NE 2.7Å; E337-R1185 PolarHBondContact OE1-NE 3.15Å; E337-R1185 IonicContact OE1-NH2 3.03Å; E337-R1185 PolarHBondContact OE1-NH2 3.07Å |
| 338 | N | 28.1 | Very low | 36.9 | Very low | 139 Ų | 139 | 102.9 Ų | 102.9 | 74% | 0.743 | 51% | 0.508 | S | S | * | . | G | 310 helix | trans | -95.8 | 1.9 | 176.3 | -73 | -15.6 | 0 | 0 | 0 | 114.4 | L335 L336 H340 | L335-N338 PolarHBondContact O-N 2.93Å; L336-N338 PolarHBondContact O-N 3.16Å; N338-H340 PolarHBondContact O-N 3.14Å; N338-H340 VanDerWaalsContact O-N 3.1Å |
| 339 | I | 33.7 | Very low | 39.1 | Very low | 47 Ų | 47 | 94.8 Ų | 94.8 | 24% | 0.241 | 48% | 0.478 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -89.6 | 44.5 | 178.5 | -50.2 | -178.6 | 0 | 0 | 0 | 110.4 | L336 V342 | L336-I339 HydrophobicContact CB-CD1 4.49Å; L336-I339 HydrophobicContact CD2-CD1 4.12Å; L336-I339 HydrophobicContact CG-CD1 3.83Å; L336-I339 PolarHBondContact O-N 3.14Å; L336-I339 VanDerWaalsContact O-N 3.12Å; I339-V342 HydrophobicContact CG2-CB 3.43Å; I339-V342 VanDerWaalsContact CG2-CB 3.43Å; I339-V342 HydrophobicContact CG2-CG2 3.59Å |
| 340 | H | 29.5 | Very low | 41.7 | Very low | 131 Ų | 131 | 87 Ų | 87 | 61% | 0.606 | 45% | 0.448 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -70.7 | -22.7 | 166.6 | -92.8 | -95.4 | 0 | 0 | 0 | 111.7 | N338 | N338-H340 PolarHBondContact O-N 3.14Å; N338-H340 VanDerWaalsContact O-N 3.1Å |
| 341 | E | 28.4 | Very low | 44.2 | Very low | 184 Ų | 184 | 81.7 Ų | 81.7 | 86% | 0.86 | 42% | 0.421 | S | S | * | . | S | Bend | trans | -89.7 | -19.5 | -176.1 | -69.7 | -177.2 | 165.6 | 0 | 0 | 115.2 | ||
| 342 | V | 32.9 | Very low | 47 | Very low | 73 Ų | 73 | 75.5 Ų | 75.5 | 44% | 0.442 | 39% | 0.387 | S | S | . | . | S | Bend | trans | -93.1 | 3.3 | -178.2 | -166.3 | 0 | 0 | 0 | 0 | 112.8 | I339 Q344 T345 | I339-V342 HydrophobicContact CG2-CB 3.43Å; I339-V342 VanDerWaalsContact CG2-CB 3.43Å; I339-V342 HydrophobicContact CG2-CG2 3.59Å; V342-Q344 PolarHBondContact O-N 3.22Å; V342-T345 VanDerWaalsContact CG1-OG1 3.28Å; V342-T345 WeakPolarHBondContact CG1-OG1 3.42Å; V342-T345 PolarHBondContact O-N 2.94Å |
| 343 | K | 34.7 | Very low | 49.9 | Very low | 93 Ų | 93 | 70.1 Ų | 70.1 | 40% | 0.404 | 36% | 0.362 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -62.3 | 1.8 | -176.1 | -87.4 | 177.3 | 178.5 | 160.1 | 0 | 115.9 | K1183 | K343-K1183 PolarHBondContact NZ-O 3.25Š|
| 344 | Q | 33.2 | Very low | 52.8 | Low | 183 Ų | 183 | 65.3 Ų | 65.3 | 86% | 0.855 | 33% | 0.331 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -142.2 | 2.7 | -176.4 | -69.8 | -176.3 | -20.6 | 0 | 0 | 115.6 | V342 | V342-Q344 PolarHBondContact O-N 3.22Š|
| 345 | T | 38.4 | Very low | 55.3 | Low | 68 Ų | 68 | 65 Ų | 65 | 42% | 0.417 | 33% | 0.327 | S | S | . | . | trans | -81.8 | 125.8 | 173.2 | 63.4 | 0 | 0 | 0 | 0 | 108.2 | V342 | V342-T345 VanDerWaalsContact CG1-OG1 3.28Å; V342-T345 WeakPolarHBondContact CG1-OG1 3.42Å; V342-T345 PolarHBondContact O-N 2.94Å | ||
| 346 | G | 47.4 | Very low | 57.9 | Low | 25 Ų | 25 | 64.2 Ų | 64.2 | 26% | 0.258 | 32% | 0.323 | S | S | . | . | trans | -56.8 | 167.3 | 177 | 0 | 0 | 0 | 0 | 0 | 112.8 | D348 | G346-D348 PolarHBondContact O-N 3.14Š| ||
| 347 | F | 62.4 | Low | 60.5 | Low | 72 Ų | 72 | 61.5 Ų | 61.5 | 32% | 0.316 | 31% | 0.309 | S | S | . | . | trans | -72.7 | 99.5 | 173.9 | -75.9 | -78.3 | 0 | 0 | 0 | 109.5 | I320 N364 F447 N1013 Y1181 | I320-F347 HydrophobicContact CD1-CD1 3.74Å; I320-F347 HydrophobicContact CD1-CE1 3.55Å; I320-F347 HydrophobicContact CG1-CD1 4.03Å; I320-F347 HydrophobicContact CG1-CE1 3.75Å; F347-N364 VanDerWaalsContact O-CG 3.29Å; F347-N364 PolarHBondContact O-ND2 3.17Å; F347-F447 HydrophobicContact CE1-CD1 4.48Å; F347-F447 HydrophobicContact CE1-CE1 4.24Å; F347-N1013 WeakPolarHBondContact CE2-ND2 3.29Å; F347-N1013 WeakPolarHBondContact CZ-ND2 3.31Å; F347-Y1181 AromaticContact CZ-CZ 3.95Å; F347-Y1181 WeakPolarHBondContact CZ-OH 3.44Å | ||
| 348 | D | 73.1 | Confident | 63.2 | Low | 8 Ų | 8 | 58.1 Ų | 58.1 | 4% | 0.043 | 29% | 0.291 | C | S | . | . | trans | -76.2 | 136.3 | 174.7 | -68.7 | 3.1 | 0 | 0 | 0 | 110.2 | N318 S319 G346 N364 T365 G366 L426 N427 L428 | N318-D348 CarbonylContact C-O 3.56Å; N318-D348 VanDerWaalsContact CA-O 3.24Å; N318-D348 WeakPolarHBondContact CA-O 3.3Å; S319-D348 PolarHBondContact N-O 2.61Å; G346-D348 PolarHBondContact O-N 3.14Å; D348-N364 CarbonylContact C-O 3.41Å; D348-N364 WeakPolarHBondContact CA-O 3.06Å; D348-N364 WeakPolarHBondContact CB-O 3.19Å; D348-T365 WeakPolarHBondContact OD1-CA 3.22Å; D348-G366 PolarHBondContact OD1-N 3.44Å; D348-L426 HydrophobicContact CB-CD1 3.93Å; D348-N427 WeakPolarHBondContact CB-O 3.41Å; D348-N427 WeakPolarHBondContact OD2-CB 3.48Å; D348-N427 PolarHBondContact OD2-N 2.96Å; D348-L428 HydrophobicContact CB-CD2 4.23Å | ||
| 349 | I | 79.1 | Confident | 66.1 | Low | 8 Ų | 8 | 51.8 Ų | 51.8 | 4% | 0.041 | 26% | 0.258 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -136 | 136.4 | -175.3 | -59.2 | 172.3 | 0 | 0 | 0 | 108.2 | Y316 L363 N364 S449 | Y316-I349 HydrophobicContact CE2-CG2 4.24Å; I349-L363 CarbonylContact O-C 3.24Å; I349-L363 WeakPolarHBondContact O-CA 3.34Å; I349-N364 HydrophobicContact CB-CB 4Å; I349-N364 HydrophobicContact CG1-CB 4.33Å; I349-N364 PolarHBondContact N-O 2.98Å; I349-N364 PolarHBondContact O-N 2.92Å; I349-S449 WeakPolarHBondContact CD1-OG 3.46Å |
| 350 | F | 87.7 | Confident | 68.6 | Low | 0 Ų | 0 | 50.1 Ų | 50.1 | 0% | 0 | 25% | 0.249 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.6 | 117 | 172.2 | 177.9 | -81.4 | 0 | 0 | 0 | 108.1 | W293 I301 I315 Y316 S317 F361 L363 I397 L426 L428 F432 | W293-F350 HydrophobicContact CH2-CE2 4.16Å; W293-F350 HydrophobicContact CZ3-CD2 4.04Å; W293-F350 AromaticContact CZ3-CE2 3.66Å; W293-F350 HydrophobicContact CZ3-CE2 3.66Å; W293-F350 HydrophobicContact CZ3-CZ 4.36Å; I301-F350 HydrophobicContact CD1-CE1 3.99Å; I301-F350 HydrophobicContact CD1-CZ 3.71Å; I315-F350 HydrophobicContact CB-CE1 4.3Å; I315-F350 HydrophobicContact CG2-CD1 4.1Å; I315-F350 HydrophobicContact CG2-CE1 3.77Å; Y316-F350 CarbonylContact C-O 3.38Å; Y316-F350 WeakPolarHBondContact CA-O 3.12Å; S317-F350 PolarHBondContact N-O 2.77Å; S317-F350 PolarHBondContact O-N 2.78Å; F350-F361 HydrophobicContact CD1-CE2 4.47Å; F350-F361 AromaticContact CD2-CE2 3.76Å; F350-F361 HydrophobicContact CD2-CE2 3.76Å; F350-F361 AromaticContact CD2-CZ 3.58Å; F350-F361 HydrophobicContact CD2-CZ 3.58Å; F350-F361 HydrophobicContact CE1-CE2 4.11Å; F350-F361 AromaticContact CE2-CE2 3.35Å; F350-F361 HydrophobicContact CE2-CE2 3.35Å; F350-F361 AromaticContact CE2-CZ 3.42Å; F350-F361 HydrophobicContact CE2-CZ 3.42Å; F350-F361 VanDerWaalsContact CE2-CZ 3.42Å; F350-F361 HydrophobicContact CG-CE2 4.32Å; F350-F361 HydrophobicContact CG-CZ 4.4Å; F350-F361 AromaticContact CZ-CE2 3.54Å; F350-F361 HydrophobicContact CZ-CE2 3.54Å; F350-F361 HydrophobicContact CZ-CZ 4.12Å; F350-L363 HydrophobicContact CD2-CD1 4.26Å; F350-I397 HydrophobicContact CE2-CG2 4.34Å; F350-I397 HydrophobicContact CZ-CD1 4.41Å; F350-I397 HydrophobicContact CZ-CG2 4.28Å; F350-L426 HydrophobicContact CB-CD2 4.48Å; F350-L426 HydrophobicContact CD2-CD2 4.23Å; F350-L428 HydrophobicContact CB-CD1 3.88Å; F350-L428 HydrophobicContact CB-CD2 4.24Å; F350-L428 HydrophobicContact CG-CD1 4.49Å; F350-F432 HydrophobicContact CD1-CD1 4.29Å; F350-F432 AromaticContact CD1-CE1 3.81Å; F350-F432 HydrophobicContact CD1-CE1 3.81Å; F350-F432 HydrophobicContact CE1-CE1 4.04Å; F350-F432 HydrophobicContact CG-CE1 4.34Å |
| 351 | A | 90.3 | Very high | 71.2 | Confident | 0 Ų | 0 | 44 Ų | 44 | 0% | 0 | 22% | 0.22 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -139.2 | 139.6 | 178 | 0 | 0 | 0 | 0 | 0 | 112.3 | I315 Y316 F361 L362 V452 | I315-A351 CarbonylContact O-C 3.58Å; I315-A351 VanDerWaalsContact O-CA 3.31Å; I315-A351 WeakPolarHBondContact O-CA 3.22Å; Y316-A351 HydrophobicContact CD2-CB 3.94Å; A351-F361 CarbonylContact O-C 3.54Å; A351-F361 WeakPolarHBondContact O-CA 3.48Å; A351-F361 VanDerWaalsContact O-CD2 3.24Å; A351-F361 WeakPolarHBondContact O-CD2 3.46Å; A351-L362 HydrophobicContact CB-CB 4.32Å; A351-L362 HydrophobicContact CB-CD1 4.26Å; A351-L362 PolarHBondContact N-O 2.96Å; A351-L362 PolarHBondContact O-N 3.3Å; A351-V452 HydrophobicContact CB-CG1 4.13Å; A351-V452 HydrophobicContact CB-CG2 3.7Å |
| 352 | L | 93.4 | Very high | 73.8 | Confident | 0 Ų | 0 | 35.2 Ų | 35.2 | 0% | 0 | 18% | 0.179 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.7 | 127 | 171.5 | -175.5 | 75.1 | 0 | 0 | 0 | 108.7 | F303 I314 I315 L359 F361 I397 | F303-L352 HydrophobicContact CE1-CD2 4.18Å; F303-L352 HydrophobicContact CZ-CD2 3.65Å; I314-L352 WeakPolarHBondContact CA-O 3.5Å; I314-L352 HydrophobicContact CB-CD2 4.12Å; I314-L352 HydrophobicContact CB-CG 4.33Å; I314-L352 WeakPolarHBondContact CB-O 3.18Å; I314-L352 HydrophobicContact CD1-CD2 4.06Å; I314-L352 HydrophobicContact CD1-CG 4.26Å; I314-L352 HydrophobicContact CG2-CD2 4.18Å; I314-L352 PolarHBondContact N-O 2.79Å; I315-L352 HydrophobicContact CB-CB 4.14Å; I315-L352 HydrophobicContact CD1-CD2 4.29Å; I315-L352 HydrophobicContact CG1-CD2 4.47Å; I315-L352 PolarHBondContact N-O 3.04Å; I315-L352 PolarHBondContact O-N 3.24Å; L352-L359 HydrophobicContact CD1-CD2 4.17Å; L352-L359 HydrophobicContact CD2-CD2 4.32Å; L352-L359 HydrophobicContact CG-CD2 4.29Å; L352-F361 HydrophobicContact CB-CD2 4.35Å; L352-F361 HydrophobicContact CD1-CB 4.16Å; L352-F361 HydrophobicContact CD1-CD2 3.99Å; L352-I397 HydrophobicContact CD1-CD1 4.31Å; L352-I397 HydrophobicContact CD2-CD1 3.86Å |
| 353 | E | 92.8 | Very high | 76.1 | Confident | 0 Ų | 0 | 32 Ų | 32 | 0% | 0 | 16% | 0.16 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -141 | 161.3 | -179.1 | 64.9 | -178.7 | 175.1 | 0 | 0 | 112.3 | G312 L313 R355 H360 L362 W453 S454 | G312-E353 CarbonylContact O-C 3.59Å; G312-E353 WeakPolarHBondContact O-CA 3.32Å; L313-E353 HydrophobicContact CD1-CB 4.37Å; E353-R355 HydrophobicContact CG-CG 4.34Å; E353-R355 IonicContact OE1-CZ 3.67Å; E353-R355 IonicContact OE1-NE 3.66Å; E353-R355 PolarHBondContact OE1-NE 3.28Å; E353-R355 IonicContact OE1-NH2 2.92Å; E353-R355 PolarHBondContact OE1-NH2 2.95Å; E353-H360 HydrophobicContact CG-CB 4Å; E353-H360 PolarHBondContact N-O 3.41Å; E353-H360 PolarHBondContact O-N 3.24Å; E353-H360 IonicContact OE1-ND1 3.69Å; E353-L362 HydrophobicContact CG-CD1 4.21Å; E353-W453 PolarHBondContact OE2-N 2.81Å; E353-S454 WeakPolarHBondContact OE2-CB 3.29Å; E353-S454 PolarHBondContact OE2-N 2.85Å; E353-S454 PolarHBondContact OE2-OG 3.24Å |
| 354 | L | 92.2 | Very high | 78 | Confident | 0 Ų | 0 | 28.7 Ų | 28.7 | 0% | 0 | 15% | 0.146 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -90.6 | 133.2 | 168.2 | -64.5 | 170.7 | 0 | 0 | 0 | 109.4 | T307 N311 G312 I314 R358 L359 I387 F461 | T307-L354 HydrophobicContact CG2-CD1 3.88Å; N311-L354 VanDerWaalsContact CA-O 3.29Å; N311-L354 WeakPolarHBondContact CA-O 3.31Å; G312-L354 PolarHBondContact N-O 2.79Å; G312-L354 PolarHBondContact O-N 3.41Å; I314-L354 HydrophobicContact CD1-CD1 4.49Å; I314-L354 HydrophobicContact CD1-CD2 4.04Å; I314-L354 HydrophobicContact CD1-CG 3.89Å; I314-L354 HydrophobicContact CG1-CG 4.18Å; L354-R358 CarbonylContact C-O 3.54Å; L354-R358 WeakPolarHBondContact CA-O 3.2Å; L354-L359 HydrophobicContact CD2-CD2 4.03Å; L354-I387 HydrophobicContact CD2-CD1 3.32Å; L354-I387 HydrophobicContact CD2-CG1 3.92Å; L354-F461 HydrophobicContact CD1-CD2 3.79Å; L354-F461 HydrophobicContact CD1-CE2 3.85Å |
| 355 | R | 88.3 | Confident | 79.7 | Confident | 28 Ų | 28 | 20.8 Ų | 20.8 | 11% | 0.106 | 11% | 0.111 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.5 | 120.2 | 167.2 | -63.5 | -175.1 | -175.8 | -174.6 | 1.6 | 109.1 | L310 N311 E353 G357 R358 H360 E451 W453 | L310-R355 CarbonylContact O-C 3.54Å; N311-R355 WeakPolarHBondContact OD1-CA 3.5Å; E353-R355 HydrophobicContact CG-CG 4.34Å; E353-R355 IonicContact OE1-CZ 3.67Å; E353-R355 IonicContact OE1-NE 3.66Å; E353-R355 PolarHBondContact OE1-NE 3.28Å; E353-R355 IonicContact OE1-NH2 2.92Å; E353-R355 PolarHBondContact OE1-NH2 2.95Å; R355-G357 PolarHBondContact O-N 3.4Å; R355-G357 VanDerWaalsContact O-N 3.1Å; R355-R358 PolarHBondContact N-O 3.41Å; R355-R358 PolarHBondContact O-N 3.33Å; R355-H360 HydrophobicContact CB-CB 4.44Å; R355-H360 HydrophobicContact CG-CB 3.92Å; R355-H360 PolarHBondContact NE-ND1 2.89Å; R355-H360 PolarHBondContact NH1-CE1 2.88Å; R355-H360 VanDerWaalsContact NH1-CE1 3.33Å; R355-H360 PolarHBondContact NH2-CE1 2.74Å; R355-H360 PolarHBondContact NH2-ND1 3.34Å; R355-E451 PolarHBondContact NH2-O 3.46Å; R355-W453 VanDerWaalsContact NH1-CE2 3.34Å; R355-W453 VanDerWaalsContact NH1-CZ2 3.33Å |
| 356 | L | 86.6 | Confident | 80.8 | Confident | 120 Ų | 120 | 18.7 Ų | 18.7 | 63% | 0.628 | 10% | 0.102 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 48.6 | 39.2 | 179.9 | -56.7 | 176 | 0 | 0 | 0 | 113 | L310 N311 | L310-L356 PolarHBondContact O-N 3.21Å; N311-L356 PolarHBondContact OD1-N 2.92Å |
| 357 | G | 89.2 | Confident | 81 | Confident | 0 Ų | 0 | 19.5 Ų | 19.5 | 0% | 0 | 10% | 0.104 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 77.4 | 13.3 | 178.1 | 0 | 0 | 0 | 0 | 0 | 116.2 | L310 R355 F386 I387 S388 | L310-G357 PolarHBondContact O-N 3.3Å; R355-G357 PolarHBondContact O-N 3.4Å; R355-G357 VanDerWaalsContact O-N 3.1Å; G357-F386 WeakPolarHBondContact O-CA 3.45Å; G357-I387 WeakPolarHBondContact O-CG1 3.32Å; G357-I387 PolarHBondContact O-N 2.73Å; G357-S388 WeakPolarHBondContact CA-OG 3.34Å |
| 358 | R | 86.5 | Confident | 80.7 | Confident | 42 Ų | 42 | 17.8 Ų | 17.8 | 16% | 0.158 | 11% | 0.107 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.1 | 151.9 | 177.6 | -61.1 | -174.9 | 173.9 | 87.3 | -6 | 111 | L354 R355 Y378 S381 | L354-R358 CarbonylContact C-O 3.54Å; L354-R358 WeakPolarHBondContact CA-O 3.2Å; R355-R358 PolarHBondContact N-O 3.41Å; R355-R358 PolarHBondContact O-N 3.33Å; R358-Y378 HydrophobicContact CB-CE1 4.27Å; R358-Y378 HydrophobicContact CG-CE1 4.48Å; R358-S381 PolarHBondContact NH2-O 2.89Å |
| 359 | L | 88.6 | Confident | 79.9 | Confident | 6 Ų | 6 | 19.8 Ų | 19.8 | 3% | 0.031 | 12% | 0.117 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -69.3 | 139.5 | 174.3 | -70.4 | 178.6 | 0 | 0 | 0 | 110.7 | I314 L352 L354 F374 I387 I395 I406 V408 | I314-L359 HydrophobicContact CD1-CD2 3.59Å; L352-L359 HydrophobicContact CD1-CD2 4.17Å; L352-L359 HydrophobicContact CD2-CD2 4.32Å; L352-L359 HydrophobicContact CG-CD2 4.29Å; L354-L359 HydrophobicContact CD2-CD2 4.03Å; L359-F374 WeakPolarHBondContact O-CZ 3.24Å; L359-I387 HydrophobicContact CD1-CD1 4.26Å; L359-I387 HydrophobicContact CD2-CD1 3.4Å; L359-I387 HydrophobicContact CG-CD1 3.42Å; L359-I387 VanDerWaalsContact CG-CD1 3.42Å; L359-I387 HydrophobicContact CG-CG1 4.42Å; L359-I395 HydrophobicContact CD1-CD1 4.06Å; L359-I395 HydrophobicContact CD1-CG1 4.12Å; L359-I395 HydrophobicContact CD1-CG2 4.13Å; L359-I395 HydrophobicContact CD2-CD1 4.38Å; L359-I406 HydrophobicContact CD1-CG2 4.5Å; L359-V408 HydrophobicContact CD1-CG2 3.66Å |
| 360 | H | 85.7 | Confident | 78.7 | Confident | 12 Ų | 12 | 22 Ų | 22 | 6% | 0.056 | 13% | 0.13 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -135.5 | 124.9 | 173.6 | -163.5 | -95.2 | 0 | 0 | 0 | 108.7 | E353 R355 Q371 F374 | E353-H360 HydrophobicContact CG-CB 4Å; E353-H360 PolarHBondContact N-O 3.41Å; E353-H360 PolarHBondContact O-N 3.24Å; E353-H360 IonicContact OE1-ND1 3.69Å; R355-H360 HydrophobicContact CB-CB 4.44Å; R355-H360 HydrophobicContact CG-CB 3.92Å; R355-H360 PolarHBondContact NE-ND1 2.89Å; R355-H360 PolarHBondContact NH1-CE1 2.88Å; R355-H360 VanDerWaalsContact NH1-CE1 3.33Å; R355-H360 PolarHBondContact NH2-CE1 2.74Å; R355-H360 PolarHBondContact NH2-ND1 3.34Å; H360-Q371 PolarHBondContact CE1-NE2 2.76Å; H360-Q371 PolarHBondContact NE2-NE2 2.97Å; H360-F374 AromaticContact CD2-CE2 3.73Å |
| 361 | F | 85.2 | Confident | 77.1 | Confident | 2 Ų | 2 | 25.1 Ų | 25.1 | 1% | 0.009 | 15% | 0.145 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.2 | 144.5 | -176.1 | -178.1 | -96.1 | 0 | 0 | 0 | 110.5 | F350 A351 L352 L363 P372 I397 L404 I406 | F350-F361 HydrophobicContact CD1-CE2 4.47Å; F350-F361 AromaticContact CD2-CE2 3.76Å; F350-F361 HydrophobicContact CD2-CE2 3.76Å; F350-F361 AromaticContact CD2-CZ 3.58Å; F350-F361 HydrophobicContact CD2-CZ 3.58Å; F350-F361 HydrophobicContact CE1-CE2 4.11Å; F350-F361 AromaticContact CE2-CE2 3.35Å; F350-F361 HydrophobicContact CE2-CE2 3.35Å; F350-F361 AromaticContact CE2-CZ 3.42Å; F350-F361 HydrophobicContact CE2-CZ 3.42Å; F350-F361 VanDerWaalsContact CE2-CZ 3.42Å; F350-F361 HydrophobicContact CG-CE2 4.32Å; F350-F361 HydrophobicContact CG-CZ 4.4Å; F350-F361 AromaticContact CZ-CE2 3.54Å; F350-F361 HydrophobicContact CZ-CE2 3.54Å; F350-F361 HydrophobicContact CZ-CZ 4.12Å; A351-F361 CarbonylContact O-C 3.54Å; A351-F361 WeakPolarHBondContact O-CA 3.48Å; A351-F361 VanDerWaalsContact O-CD2 3.24Å; A351-F361 WeakPolarHBondContact O-CD2 3.46Å; L352-F361 HydrophobicContact CB-CD2 4.35Å; L352-F361 HydrophobicContact CD1-CB 4.16Å; L352-F361 HydrophobicContact CD1-CD2 3.99Å; F361-L363 HydrophobicContact CD1-CB 4.44Å; F361-L363 HydrophobicContact CE1-CB 3.64Å; F361-L363 HydrophobicContact CE1-CD1 4.37Å; F361-L363 HydrophobicContact CE1-CG 4.41Å; F361-L363 HydrophobicContact CZ-CB 4.29Å; F361-L363 HydrophobicContact CZ-CD1 4.26Å; F361-P372 HydrophobicContact CD1-CG 4.36Å; F361-P372 WeakPolarHBondContact O-CD 3.34Å; F361-I397 HydrophobicContact CE2-CG2 4.48Å; F361-L404 HydrophobicContact CD1-CD1 4.27Å; F361-L404 HydrophobicContact CD1-CD2 3.09Å; F361-L404 HydrophobicContact CD1-CG 4.23Å; F361-L404 HydrophobicContact CE1-CD1 3.42Å; F361-L404 VanDerWaalsContact CE1-CD1 3.42Å; F361-L404 HydrophobicContact CE1-CD2 3.08Å; F361-L404 HydrophobicContact CE1-CG 3.78Å; F361-L404 HydrophobicContact CE2-CD1 4.23Å; F361-L404 HydrophobicContact CG-CD2 3.83Å; F361-L404 HydrophobicContact CZ-CD1 3.42Å; F361-L404 VanDerWaalsContact CZ-CD1 3.42Å; F361-L404 HydrophobicContact CZ-CD2 3.91Å; F361-L404 HydrophobicContact CZ-CG 4.25Å; F361-I406 HydrophobicContact CB-CD1 3.47Å; F361-I406 VanDerWaalsContact CB-CD1 3.47Å; F361-I406 HydrophobicContact CD1-CD1 4.43Å; F361-I406 HydrophobicContact CD2-CD1 4.27Å; F361-I406 HydrophobicContact CG-CD1 3.82Å |
| 362 | L | 82 | Confident | 75.3 | Confident | 0 Ų | 0 | 25.3 Ų | 25.3 | 0% | 0 | 15% | 0.146 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -134.3 | 131.4 | 177.5 | -55.9 | 98.8 | 0 | 0 | 0 | 109.8 | A351 E353 I369 E451 V452 | A351-L362 HydrophobicContact CB-CB 4.32Å; A351-L362 HydrophobicContact CB-CD1 4.26Å; A351-L362 PolarHBondContact N-O 2.96Å; A351-L362 PolarHBondContact O-N 3.3Å; E353-L362 HydrophobicContact CG-CD1 4.21Å; L362-I369 HydrophobicContact CB-CD1 4.1Å; L362-I369 HydrophobicContact CB-CG1 4.5Å; L362-I369 HydrophobicContact CD2-CD1 3.72Å; L362-E451 HydrophobicContact CD2-CB 3.37Å; L362-E451 WeakPolarHBondContact CD2-O 3.33Å; L362-V452 HydrophobicContact CD1-CG2 4.37Å; L362-V452 HydrophobicContact CD2-CG2 4.35Å |
| 363 | L | 81.8 | Confident | 73.1 | Confident | 6 Ų | 6 | 33.8 Ų | 33.8 | 3% | 0.031 | 19% | 0.186 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.3 | 135.4 | 177 | -170.4 | 67 | 0 | 0 | 0 | 110.2 | I349 F350 F361 T365 I369 V370 F399 L426 | I349-L363 CarbonylContact O-C 3.24Å; I349-L363 WeakPolarHBondContact O-CA 3.34Å; F350-L363 HydrophobicContact CD2-CD1 4.26Å; F361-L363 HydrophobicContact CD1-CB 4.44Å; F361-L363 HydrophobicContact CE1-CB 3.64Å; F361-L363 HydrophobicContact CE1-CD1 4.37Å; F361-L363 HydrophobicContact CE1-CG 4.41Å; F361-L363 HydrophobicContact CZ-CB 4.29Å; F361-L363 HydrophobicContact CZ-CD1 4.26Å; L363-T365 HydrophobicContact CD2-CG2 4.02Å; L363-T365 HydrophobicContact CG-CG2 4.07Å; L363-I369 CarbonylContact O-C 3.59Å; L363-I369 WeakPolarHBondContact O-CA 3.35Å; L363-I369 WeakPolarHBondContact O-CG1 3.46Å; L363-V370 PolarHBondContact N-O 3.38Å; L363-V370 PolarHBondContact O-N 3.29Å; L363-F399 HydrophobicContact CD2-CD2 4.22Å; L363-F399 HydrophobicContact CD2-CE2 4.04Å; L363-L426 HydrophobicContact CD1-CD1 3.68Å; L363-L426 HydrophobicContact CD1-CD2 3.96Å; L363-L426 HydrophobicContact CD1-CG 4.48Å |
| 364 | N | 74.2 | Confident | 71.2 | Confident | 23 Ų | 23 | 34.8 Ų | 34.8 | 12% | 0.123 | 19% | 0.19 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126 | 124 | 164.4 | -171.6 | -12.2 | 0 | 0 | 0 | 107 | F347 D348 I349 G366 G368 | F347-N364 VanDerWaalsContact O-CG 3.29Å; F347-N364 PolarHBondContact O-ND2 3.17Å; D348-N364 CarbonylContact C-O 3.41Å; D348-N364 WeakPolarHBondContact CA-O 3.06Å; D348-N364 WeakPolarHBondContact CB-O 3.19Å; I349-N364 HydrophobicContact CB-CB 4Å; I349-N364 HydrophobicContact CG1-CB 4.33Å; I349-N364 PolarHBondContact N-O 2.98Å; I349-N364 PolarHBondContact O-N 2.92Å; N364-G366 WeakPolarHBondContact OD1-CA 3.48Å; N364-G366 PolarHBondContact OD1-N 2.66Å; N364-G368 PolarHBondContact OD1-N 2.81Å; N364-G368 PolarHBondContact OD1-O 2.82Å; N364-G368 VanDerWaalsContact OD1-O 3.08Å |
| 365 | T | 68.4 | Low | 69.2 | Low | 17 Ų | 17 | 39.7 Ų | 39.7 | 10% | 0.104 | 22% | 0.216 | C | C | . | . | S | Bend | trans | -108.4 | 24.7 | 175.1 | 55.9 | 0 | 0 | 0 | 0 | 111.3 | D348 L363 F399 Y423 L426 | D348-T365 WeakPolarHBondContact OD1-CA 3.22Å; L363-T365 HydrophobicContact CD2-CG2 4.02Å; L363-T365 HydrophobicContact CG-CG2 4.07Å; T365-F399 HydrophobicContact CG2-CE2 4.38Å; T365-Y423 VanDerWaalsContact O-CB 3.32Å; T365-Y423 WeakPolarHBondContact O-CB 3.12Å; T365-L426 HydrophobicContact CG2-CD1 3.96Å |
| 366 | G | 61.3 | Low | 67.5 | Low | 23 Ų | 23 | 47.7 Ų | 47.7 | 24% | 0.237 | 25% | 0.247 | C | C | . | . | S | Bend | trans | 95 | -7.9 | 174.2 | 0 | 0 | 0 | 0 | 0 | 116 | D348 N364 | D348-G366 PolarHBondContact OD1-N 3.44Å; N364-G366 WeakPolarHBondContact OD1-CA 3.48Å; N364-G366 PolarHBondContact OD1-N 2.66Å |
| 367 | S | 52.4 | Low | 65.7 | Low | 43 Ų | 43 | 48.6 Ų | 48.6 | 30% | 0.301 | 25% | 0.246 | S | C | . | . | S | Bend | trans | -100.1 | 6.5 | 172.3 | -63.6 | 0 | 0 | 0 | 0 | 114.2 | T422 Y423 | S367-T422 PolarHBondContact OG-OG1 3.25Å; S367-Y423 WeakPolarHBondContact OG-CD2 3.5Å; S367-Y423 WeakPolarHBondContact OG-CE2 3.25Å |
| 368 | G | 55.8 | Low | 64.1 | Low | 36 Ų | 36 | 49.3 Ų | 49.3 | 37% | 0.371 | 25% | 0.248 | S | C | . | . | S | Bend | trans | 112.8 | 171.2 | -171.6 | 0 | 0 | 0 | 0 | 0 | 111.7 | N364 | N364-G368 PolarHBondContact OD1-N 2.81Å; N364-G368 PolarHBondContact OD1-O 2.82Å; N364-G368 VanDerWaalsContact OD1-O 3.08Å |
| 369 | I | 56 | Low | 62.8 | Low | 49 Ų | 49 | 52.8 Ų | 52.8 | 25% | 0.251 | 27% | 0.265 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -82.1 | 124.9 | -170.7 | -154.9 | 165.5 | 0 | 0 | 0 | 111.2 | L362 L363 E451 | L362-I369 HydrophobicContact CB-CD1 4.1Å; L362-I369 HydrophobicContact CB-CG1 4.5Å; L362-I369 HydrophobicContact CD2-CD1 3.72Å; L363-I369 CarbonylContact O-C 3.59Å; L363-I369 WeakPolarHBondContact O-CA 3.35Å; L363-I369 WeakPolarHBondContact O-CG1 3.46Å; I369-E451 HydrophobicContact CD1-CB 3.63Å; I369-E451 HydrophobicContact CD1-CG 3.74Å; I369-E451 HydrophobicContact CG2-CG 4.14Å |
| 370 | V | 54.6 | Low | 61.1 | Low | 54 Ų | 54 | 59 Ų | 59 | 33% | 0.327 | 29% | 0.294 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.5 | 102.5 | 164.3 | -176 | 0 | 0 | 0 | 0 | 106.6 | L363 H416 | L363-V370 PolarHBondContact N-O 3.38Å; L363-V370 PolarHBondContact O-N 3.29Å; V370-H416 HydrophobicContact CG1-CB 4.34Å |
| 371 | Q | 54.6 | Low | 59.6 | Low | 66 Ų | 66 | 60.5 Ų | 60.5 | 31% | 0.308 | 31% | 0.305 | S | S | . | . | trans | -93.5 | 120.4 | 164.8 | -175.4 | -178.6 | -10.2 | 0 | 0 | 107.2 | H360 E373 | H360-Q371 PolarHBondContact CE1-NE2 2.76Å; H360-Q371 PolarHBondContact NE2-NE2 2.97Å; Q371-E373 PolarHBondContact O-N 2.87Å; Q371-E373 VanDerWaalsContact O-N 3.13Å | ||
| 372 | P | 51.8 | Low | 58.3 | Low | 4 Ų | 4 | 68.9 Ų | 68.9 | 3% | 0.026 | 34% | 0.344 | C | S | . | . | trans | -62 | 119.2 | 175.7 | -25.6 | 36 | 0 | 0 | 0 | 112.3 | F361 F374 V414 H416 | F361-P372 HydrophobicContact CD1-CG 4.36Å; F361-P372 WeakPolarHBondContact O-CD 3.34Å; P372-F374 WeakPolarHBondContact O-CD2 3.29Å; P372-F374 PolarHBondContact O-N 3.04Å; P372-F374 VanDerWaalsContact O-N 3.14Å; P372-V414 HydrophobicContact CB-CG1 3.45Å; P372-V414 VanDerWaalsContact CB-CG1 3.45Å; P372-V414 HydrophobicContact CB-CG2 4.42Å; P372-V414 HydrophobicContact CG-CG1 3.84Å; P372-H416 WeakPolarHBondContact CA-NE2 3.46Å; P372-H416 WeakPolarHBondContact CB-CD2 3.29Å; P372-H416 VanDerWaalsContact CB-NE2 3.32Å; P372-H416 WeakPolarHBondContact CB-NE2 3.48Å | ||
| 373 | E | 46.4 | Very low | 57.2 | Low | 179 Ų | 179 | 73.5 Ų | 73.5 | 84% | 0.836 | 38% | 0.377 | S | S | * | . | trans | -68.4 | 109.3 | 161.4 | -73.3 | -171.6 | 167.3 | 0 | 0 | 107.5 | Q371 | Q371-E373 PolarHBondContact O-N 2.87Å; Q371-E373 VanDerWaalsContact O-N 3.13Å | ||
| 374 | F | 54.1 | Low | 56.4 | Low | 20 Ų | 20 | 78.1 Ų | 78.1 | 9% | 0.088 | 40% | 0.397 | C | S | . | . | trans | -67 | 138.9 | 168.1 | -62.9 | -97.8 | 0 | 0 | 0 | 108 | L359 H360 P372 R376 Y378 F379 V414 | L359-F374 WeakPolarHBondContact O-CZ 3.24Å; H360-F374 AromaticContact CD2-CE2 3.73Å; P372-F374 WeakPolarHBondContact O-CD2 3.29Å; P372-F374 PolarHBondContact O-N 3.04Å; P372-F374 VanDerWaalsContact O-N 3.14Å; F374-R376 PolarHBondContact O-N 2.85Å; F374-Y378 HydrophobicContact CB-CD1 3.64Å; F374-Y378 HydrophobicContact CB-CE1 4.4Å; F374-Y378 HydrophobicContact CB-CG 4.01Å; F374-Y378 AromaticContact CD1-CD1 3.44Å; F374-Y378 HydrophobicContact CD1-CD1 3.44Å; F374-Y378 VanDerWaalsContact CD1-CD1 3.44Å; F374-Y378 HydrophobicContact CD1-CD2 4.3Å; F374-Y378 AromaticContact CD1-CE1 3.4Å; F374-Y378 HydrophobicContact CD1-CE1 3.4Å; F374-Y378 HydrophobicContact CD1-CE2 4.28Å; F374-Y378 AromaticContact CD1-CG 3.91Å; F374-Y378 HydrophobicContact CD1-CG 3.91Å; F374-Y378 AromaticContact CD1-CZ 3.85Å; F374-Y378 HydrophobicContact CE1-CD1 4.27Å; F374-Y378 AromaticContact CE1-CE1 3.75Å; F374-Y378 HydrophobicContact CE1-CE1 3.75Å; F374-Y378 AromaticContact CE1-CZ 3.95Å; F374-Y378 AromaticContact CG-CD1 3.68Å; F374-Y378 HydrophobicContact CG-CD1 3.68Å; F374-Y378 AromaticContact CG-CE1 3.93Å; F374-Y378 HydrophobicContact CG-CE1 3.93Å; F374-Y378 HydrophobicContact CG-CG 4.32Å; F374-F379 HydrophobicContact CB-CD2 4.29Å; F374-F379 HydrophobicContact CB-CE2 3.64Å; F374-F379 HydrophobicContact CB-CZ 4.14Å; F374-F379 HydrophobicContact CD2-CE2 4.24Å; F374-F379 HydrophobicContact CD2-CZ 4Å; F374-F379 HydrophobicContact CG-CE2 4.25Å; F374-F379 HydrophobicContact CG-CZ 4.26Å; F374-V414 HydrophobicContact CD1-CG2 3.69Å; F374-V414 HydrophobicContact CE1-CG2 3.44Å; F374-V414 VanDerWaalsContact CE1-CG2 3.44Å; F374-V414 HydrophobicContact CZ-CG2 4.12Å | ||
| 375 | D | 51 | Low | 56.4 | Low | 103 Ų | 103 | 77.7 Ų | 77.7 | 55% | 0.551 | 40% | 0.398 | S | S | * | . | trans | -49.3 | 135.8 | 171.9 | -173.7 | -7.4 | 0 | 0 | 0 | 108.6 | K377 Y378 | D375-K377 PolarHBondContact O-N 2.81Å; D375-K377 PolarHBondContact OD1-N 2.99Å; D375-Y378 WeakPolarHBondContact O-CA 3.42Å; D375-Y378 WeakPolarHBondContact O-CB 3.31Å; D375-Y378 PolarHBondContact O-N 2.69Å | ||
| 376 | R | 51.1 | Low | 57.3 | Low | 196 Ų | 196 | 79.9 Ų | 79.9 | 74% | 0.74 | 41% | 0.406 | S | S | * | . | H | α-helix | trans | -49.8 | -34.6 | 179.8 | -125.3 | 179.5 | -173.7 | 164.1 | -0.1 | 111.6 | F374 Y378 F379 E380 | F374-R376 PolarHBondContact O-N 2.85Å; R376-Y378 PolarHBondContact O-N 2.78Å; R376-F379 PolarHBondContact O-N 3.22Å; R376-E380 WeakPolarHBondContact O-CG 3.38Å; R376-E380 PolarHBondContact O-N 3.47Å |
| 377 | K | 50.3 | Low | 58.6 | Low | 140 Ų | 140 | 79 Ų | 79 | 61% | 0.609 | 40% | 0.395 | S | S | * | . | H | α-helix | trans | -56.3 | -29.1 | 174.2 | -69.4 | -179.8 | -178.4 | 169.9 | 0 | 114.5 | D375 F379 S381 | D375-K377 PolarHBondContact O-N 2.81Å; D375-K377 PolarHBondContact OD1-N 2.99Å; K377-F379 VanDerWaalsContact C-N 3.34Å; K377-S381 PolarHBondContact O-N 3Å |
| 378 | Y | 54.5 | Low | 60.3 | Low | 14 Ų | 14 | 77.2 Ų | 77.2 | 6% | 0.055 | 38% | 0.383 | C | S | . | . | H | α-helix | trans | -66.3 | -36 | 175 | -174.9 | -102 | 0 | 0 | 0 | 111.9 | R358 F374 D375 R376 G385 L413 | R358-Y378 HydrophobicContact CB-CE1 4.27Å; R358-Y378 HydrophobicContact CG-CE1 4.48Å; F374-Y378 HydrophobicContact CB-CD1 3.64Å; F374-Y378 HydrophobicContact CB-CE1 4.4Å; F374-Y378 HydrophobicContact CB-CG 4.01Å; F374-Y378 AromaticContact CD1-CD1 3.44Å; F374-Y378 HydrophobicContact CD1-CD1 3.44Å; F374-Y378 VanDerWaalsContact CD1-CD1 3.44Å; F374-Y378 HydrophobicContact CD1-CD2 4.3Å; F374-Y378 AromaticContact CD1-CE1 3.4Å; F374-Y378 HydrophobicContact CD1-CE1 3.4Å; F374-Y378 HydrophobicContact CD1-CE2 4.28Å; F374-Y378 AromaticContact CD1-CG 3.91Å; F374-Y378 HydrophobicContact CD1-CG 3.91Å; F374-Y378 AromaticContact CD1-CZ 3.85Å; F374-Y378 HydrophobicContact CE1-CD1 4.27Å; F374-Y378 AromaticContact CE1-CE1 3.75Å; F374-Y378 HydrophobicContact CE1-CE1 3.75Å; F374-Y378 AromaticContact CE1-CZ 3.95Å; F374-Y378 AromaticContact CG-CD1 3.68Å; F374-Y378 HydrophobicContact CG-CD1 3.68Å; F374-Y378 AromaticContact CG-CE1 3.93Å; F374-Y378 HydrophobicContact CG-CE1 3.93Å; F374-Y378 HydrophobicContact CG-CG 4.32Å; D375-Y378 WeakPolarHBondContact O-CA 3.42Å; D375-Y378 WeakPolarHBondContact O-CB 3.31Å; D375-Y378 PolarHBondContact O-N 2.69Å; R376-Y378 PolarHBondContact O-N 2.78Å; Y378-G385 PolarHBondContact OH-O 2.9Å; Y378-L413 HydrophobicContact CD2-CD2 4.24Å; Y378-L413 HydrophobicContact CE2-CD1 3.81Å; Y378-L413 HydrophobicContact CE2-CD2 3.88Å; Y378-L413 HydrophobicContact CE2-CG 4.33Å |
| 379 | F | 58.8 | Low | 61.8 | Low | 115 Ų | 115 | 78.1 Ų | 78.1 | 50% | 0.504 | 38% | 0.38 | S | S | . | . | H | α-helix | trans | -88.1 | -24.8 | 175.6 | -65.8 | -70 | 0 | 0 | 0 | 113.2 | F374 R376 K377 | F374-F379 HydrophobicContact CB-CD2 4.29Å; F374-F379 HydrophobicContact CB-CE2 3.64Å; F374-F379 HydrophobicContact CB-CZ 4.14Å; F374-F379 HydrophobicContact CD2-CE2 4.24Å; F374-F379 HydrophobicContact CD2-CZ 4Å; F374-F379 HydrophobicContact CG-CE2 4.25Å; F374-F379 HydrophobicContact CG-CZ 4.26Å; R376-F379 PolarHBondContact O-N 3.22Å; K377-F379 VanDerWaalsContact C-N 3.34Å |
| 380 | E | 54.4 | Low | 63.3 | Low | 138 Ų | 138 | 76.2 Ų | 76.2 | 65% | 0.645 | 37% | 0.372 | S | S | * | . | H | α-helix | trans | -72.8 | -25.6 | 179.7 | -73.7 | 170.6 | -173.9 | 0 | 0 | 113.7 | R376 | R376-E380 WeakPolarHBondContact O-CG 3.38Å; R376-E380 PolarHBondContact O-N 3.47Å |
| 381 | S | 53.5 | Low | 64.9 | Low | 42 Ų | 42 | 79.9 Ų | 79.9 | 29% | 0.294 | 38% | 0.383 | S | S | . | . | trans | -92.3 | 118.1 | 175.4 | -173.3 | 0 | 0 | 0 | 0 | 110.8 | R358 K377 S383 K384 | R358-S381 PolarHBondContact NH2-O 2.89Å; K377-S381 PolarHBondContact O-N 3Å; S381-S383 PolarHBondContact O-N 3.33Å; S381-S383 PolarHBondContact OG-OG 3.1Å; S381-K384 PolarHBondContact O-N 2.73Å; S381-K384 PolarHBondContact OG-N 3.05Å | ||
| 382 | E | 57 | Low | 66.5 | Low | 178 Ų | 178 | 81.7 Ų | 81.7 | 83% | 0.832 | 39% | 0.392 | S | S | * | . | S | Bend | trans | -57.2 | -31.7 | 177.2 | -72 | -172.5 | 162.9 | 0 | 0 | 112.9 | ||
| 383 | S | 58.5 | Low | 68.4 | Low | 97 Ų | 97 | 82.3 Ų | 82.3 | 68% | 0.678 | 39% | 0.394 | S | S | * | . | S | Bend | trans | -98.7 | -19.2 | -176.2 | 54.9 | 0 | 0 | 0 | 0 | 115.3 | S381 G385 | S381-S383 PolarHBondContact O-N 3.33Å; S381-S383 PolarHBondContact OG-OG 3.1Å; S383-G385 PolarHBondContact O-N 2.75Å |
| 384 | K | 65.9 | Low | 70.7 | Confident | 104 Ų | 104 | 76.2 Ų | 76.2 | 45% | 0.452 | 37% | 0.372 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -85.1 | 121.1 | -172.2 | -157.5 | 173.5 | -175.6 | 177.3 | 0 | 109.2 | S381 F386 E411 | S381-K384 PolarHBondContact O-N 2.73Å; S381-K384 PolarHBondContact OG-N 3.05Å; K384-F386 VanDerWaalsContact C-N 3.29Å; K384-F386 PolarHBondContact O-N 2.82Å; K384-E411 WeakPolarHBondContact CE-OE2 3.42Å; K384-E411 IonicContact NZ-OE2 3.23Å; K384-E411 PolarHBondContact NZ-OE2 2.81Å |
| 385 | G | 75.1 | Confident | 72.6 | Confident | 14 Ų | 14 | 75.3 Ų | 75.3 | 14% | 0.144 | 37% | 0.368 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 80 | -0.2 | -179.3 | 0 | 0 | 0 | 0 | 0 | 116 | Y378 S383 I387 | Y378-G385 PolarHBondContact OH-O 2.9Å; S383-G385 PolarHBondContact O-N 2.75Å; G385-I387 PolarHBondContact O-N 3.24Å |
| 386 | F | 85.5 | Confident | 74.6 | Confident | 63 Ų | 63 | 73.3 Ų | 73.3 | 28% | 0.276 | 36% | 0.355 | S | S | . | . | B | Isolated β-bridge | trans | -76.4 | 118.6 | 169.4 | -175.4 | -92.9 | 0 | 0 | 0 | 109.2 | L310 G357 K384 S388 D389 | L310-F386 HydrophobicContact CD2-CE2 3.92Å; L310-F386 HydrophobicContact CD2-CZ 4.06Å; G357-F386 WeakPolarHBondContact O-CA 3.45Å; K384-F386 VanDerWaalsContact C-N 3.29Å; K384-F386 PolarHBondContact O-N 2.82Å; F386-S388 WeakPolarHBondContact CE1-O 3.26Å; F386-D389 HydrophobicContact CD1-CB 4.02Å; F386-D389 HydrophobicContact CE1-CB 3.92Å |
| 387 | I | 88.4 | Confident | 76.6 | Confident | 3 Ų | 3 | 64 Ų | 64 | 2% | 0.015 | 32% | 0.32 | C | S | . | . | trans | -119.1 | 1.3 | -172.9 | 53.5 | 154.2 | 0 | 0 | 0 | 113.1 | L305 L354 G357 L359 G385 D389 H393 V408 | L305-I387 HydrophobicContact CD2-CD1 3.47Å; L305-I387 VanDerWaalsContact CD2-CD1 3.47Å; L354-I387 HydrophobicContact CD2-CD1 3.32Å; L354-I387 HydrophobicContact CD2-CG1 3.92Å; G357-I387 WeakPolarHBondContact O-CG1 3.32Å; G357-I387 PolarHBondContact O-N 2.73Å; L359-I387 HydrophobicContact CD1-CD1 4.26Å; L359-I387 HydrophobicContact CD2-CD1 3.4Å; L359-I387 HydrophobicContact CG-CD1 3.42Å; L359-I387 VanDerWaalsContact CG-CD1 3.42Å; L359-I387 HydrophobicContact CG-CG1 4.42Å; G385-I387 PolarHBondContact O-N 3.24Å; I387-D389 PolarHBondContact O-N 3.46Å; I387-H393 HydrophobicContact CG2-CB 4.36Å; I387-H393 PolarHBondContact O-CD2 2.74Å; I387-V408 HydrophobicContact CG2-CG1 4.09Å | ||
| 388 | S | 89.5 | Confident | 78.5 | Confident | 7 Ų | 7 | 59.5 Ų | 59.5 | 5% | 0.049 | 30% | 0.304 | C | S | . | . | trans | -93.6 | 38.2 | 176.5 | -59.6 | 0 | 0 | 0 | 0 | 112 | T307 T309 G357 F386 | T307-S388 CarbonylContact O-C 3.58Å; T307-S388 VanDerWaalsContact O-CA 3.28Å; T307-S388 WeakPolarHBondContact O-CA 3.42Å; T309-S388 WeakPolarHBondContact O-CB 3.35Å; T309-S388 PolarHBondContact O-OG 3.27Å; G357-S388 WeakPolarHBondContact CA-OG 3.34Å; F386-S388 WeakPolarHBondContact CE1-O 3.26Å | ||
| 389 | D | 87 | Confident | 80.1 | Confident | 55 Ų | 55 | 58.9 Ų | 58.9 | 29% | 0.294 | 30% | 0.302 | S | S | . | . | S | Bend | trans | -97 | 3.6 | -176.5 | 74.5 | -11 | 0 | 0 | 0 | 113.3 | T307 F386 I387 K391 H393 | T307-D389 PolarHBondContact O-N 3.06Å; F386-D389 HydrophobicContact CD1-CB 4.02Å; F386-D389 HydrophobicContact CE1-CB 3.92Å; I387-D389 PolarHBondContact O-N 3.46Å; D389-K391 VanDerWaalsContact C-N 3.3Å; D389-K391 PolarHBondContact O-N 3.31Å; D389-K391 WeakPolarHBondContact OD1-CA 3.25Å; D389-K391 VanDerWaalsContact OD1-CB 3.25Å; D389-K391 WeakPolarHBondContact OD1-CB 3.49Å; D389-K391 PolarHBondContact OD1-N 3.12Å; D389-K391 WeakPolarHBondContact OD2-CD 3.44Å; D389-K391 WeakPolarHBondContact OD2-CE 3.23Å; D389-K391 WeakPolarHBondContact OD2-CG 3.26Å; D389-K391 IonicContact OD2-NZ 2.74Å; D389-K391 PolarHBondContact OD2-NZ 2.75Å; D389-H393 IonicContact OD1-CD2 2.87Å; D389-H393 IonicContact OD1-NE2 3.87Å; D389-H393 PolarHBondContact OD1-NE2 2.99Å; D389-H393 IonicContact OD2-NE2 2.65Å |
| 390 | G | 86.7 | Confident | 81.4 | Confident | 8 Ų | 8 | 56.6 Ų | 56.6 | 8% | 0.082 | 30% | 0.295 | C | S | . | . | S | Bend | trans | 74.2 | 12.6 | -176.7 | 0 | 0 | 0 | 0 | 0 | 114.6 | R306 T307 | R306-G390 PolarHBondContact NE-O 3.09Å; R306-G390 PolarHBondContact NH2-O 2.84Å; T307-G390 VanDerWaalsContact O-CA 3.3Å; T307-G390 WeakPolarHBondContact O-CA 3.39Å; T307-G390 PolarHBondContact O-N 2.98Å |
| 391 | K | 88 | Confident | 82.7 | Confident | 131 Ų | 131 | 53.2 Ų | 53.2 | 57% | 0.57 | 28% | 0.279 | S | S | * | . | S | Bend | trans | -98.5 | 165.8 | 171.9 | -56.1 | -168.3 | -160.4 | 103.6 | 0 | 111.8 | R306 D389 H393 | R306-K391 WeakPolarHBondContact CA-O 3.49Å; R306-K391 WeakPolarHBondContact CG-O 3.31Å; D389-K391 VanDerWaalsContact C-N 3.3Å; D389-K391 PolarHBondContact O-N 3.31Å; D389-K391 WeakPolarHBondContact OD1-CA 3.25Å; D389-K391 VanDerWaalsContact OD1-CB 3.25Å; D389-K391 WeakPolarHBondContact OD1-CB 3.49Å; D389-K391 PolarHBondContact OD1-N 3.12Å; D389-K391 WeakPolarHBondContact OD2-CD 3.44Å; D389-K391 WeakPolarHBondContact OD2-CE 3.23Å; D389-K391 WeakPolarHBondContact OD2-CG 3.26Å; D389-K391 IonicContact OD2-NZ 2.74Å; D389-K391 PolarHBondContact OD2-NZ 2.75Å; K391-H393 PolarHBondContact O-CD2 3.02Å |
| 392 | E | 89.7 | Confident | 83.6 | Confident | 105 Ų | 105 | 52.1 Ų | 52.1 | 49% | 0.491 | 28% | 0.275 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -77.5 | 126.4 | 174.9 | -69.3 | 177.6 | -178.6 | 0 | 0 | 109.6 | I304 L305 | I304-E392 HydrophobicContact CG2-CB 4.02Å; I304-E392 HydrophobicContact CG2-CG 4.3Å; L305-E392 WeakPolarHBondContact O-CA 3.4Å |
| 393 | H | 91.9 | Very high | 84.6 | Confident | 16 Ų | 16 | 46 Ų | 46 | 7% | 0.074 | 25% | 0.247 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.4 | 128.2 | 174.6 | -68.7 | -74.6 | 0 | 0 | 0 | 109.8 | I304 L305 I387 D389 K391 D409 | I304-H393 WeakPolarHBondContact CA-O 3.08Å; L305-H393 PolarHBondContact N-O 2.89Å; L305-H393 PolarHBondContact O-N 3.01Å; I387-H393 HydrophobicContact CG2-CB 4.36Å; I387-H393 PolarHBondContact O-CD2 2.74Å; D389-H393 IonicContact OD1-CD2 2.87Å; D389-H393 IonicContact OD1-NE2 3.87Å; D389-H393 PolarHBondContact OD1-NE2 2.99Å; D389-H393 IonicContact OD2-NE2 2.65Å; K391-H393 PolarHBondContact O-CD2 3.02Å; H393-D409 VanDerWaalsContact CA-OD1 3.24Å; H393-D409 WeakPolarHBondContact CA-OD1 3.49Å; H393-D409 IonicContact CE1-OD2 2.96Å; H393-D409 IonicContact CG-OD2 3.74Å; H393-D409 IonicContact ND1-OD1 3.39Å; H393-D409 IonicContact ND1-OD2 3.78Å; H393-D409 PolarHBondContact ND1-OD2 3.13Å |
| 394 | S | 93.2 | Very high | 85.5 | Confident | 52 Ų | 52 | 41.6 Ų | 41.6 | 36% | 0.364 | 22% | 0.216 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -89.3 | 124.3 | 174.8 | -174.1 | 0 | 0 | 0 | 0 | 109.6 | V408 D409 | S394-V408 CarbonylContact O-C 3.54Å; S394-V408 WeakPolarHBondContact O-CA 3.43Å; S394-D409 PolarHBondContact N-OD1 2.92Å; S394-D409 PolarHBondContact O-N 2.98Å |
| 395 | I | 94 | Very high | 86.4 | Confident | 0 Ų | 0 | 38.5 Ų | 38.5 | 0% | 0 | 21% | 0.206 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.9 | 126.1 | -175.8 | -61.1 | 159.6 | 0 | 0 | 0 | 108.3 | T302 F303 L305 L359 I397 N407 V408 | T302-I395 CarbonylContact C-O 3.52Å; T302-I395 VanDerWaalsContact CA-O 3.26Å; T302-I395 WeakPolarHBondContact CA-O 3.34Å; F303-I395 HydrophobicContact CD1-CB 4.47Å; F303-I395 HydrophobicContact CD2-CB 4.45Å; F303-I395 HydrophobicContact CD2-CD1 4.25Å; F303-I395 HydrophobicContact CE1-CB 4.08Å; F303-I395 HydrophobicContact CE1-CG2 3.81Å; F303-I395 HydrophobicContact CE2-CB 4.08Å; F303-I395 HydrophobicContact CE2-CD1 3.45Å; F303-I395 VanDerWaalsContact CE2-CD1 3.45Å; F303-I395 HydrophobicContact CE2-CG1 4.34Å; F303-I395 HydrophobicContact CE2-CG2 4.43Å; F303-I395 HydrophobicContact CZ-CB 3.87Å; F303-I395 HydrophobicContact CZ-CD1 3.73Å; F303-I395 HydrophobicContact CZ-CG1 4.42Å; F303-I395 HydrophobicContact CZ-CG2 3.73Å; F303-I395 PolarHBondContact N-O 3.39Å; F303-I395 PolarHBondContact O-N 2.87Å; L305-I395 HydrophobicContact CB-CD1 3.62Å; L305-I395 HydrophobicContact CD2-CD1 3.6Å; L305-I395 HydrophobicContact CG-CD1 4.25Å; L359-I395 HydrophobicContact CD1-CD1 4.06Å; L359-I395 HydrophobicContact CD1-CG1 4.12Å; L359-I395 HydrophobicContact CD1-CG2 4.13Å; L359-I395 HydrophobicContact CD2-CD1 4.38Å; I395-I397 HydrophobicContact CG2-CD1 4.47Å; I395-I397 HydrophobicContact CG2-CG1 4.19Å; I395-N407 WeakPolarHBondContact CA-O 3.37Å; I395-V408 HydrophobicContact CG1-CG2 4.4Å |
| 396 | Q | 94 | Very high | 86.9 | Confident | 62 Ų | 62 | 38 Ų | 38 | 29% | 0.29 | 20% | 0.2 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.3 | 126.3 | 175 | 178.8 | -172.5 | 36 | 0 | 0 | 109.2 | E300 I301 T302 V398 I406 N407 | E300-Q396 PolarHBondContact OE1-NE2 2.76Å; I301-Q396 CarbonylContact O-C 3.56Å; I301-Q396 WeakPolarHBondContact O-CA 3.4Å; T302-Q396 HydrophobicContact CG2-CB 4.37Å; Q396-V398 HydrophobicContact CG-CG2 4.12Å; Q396-I406 WeakPolarHBondContact O-CA 3.28Å; Q396-N407 HydrophobicContact CB-CB 4.23Å; Q396-N407 PolarHBondContact N-O 3.34Å; Q396-N407 PolarHBondContact O-N 3.37Å |
| 397 | I | 92 | Very high | 87.1 | Confident | 0 Ų | 0 | 36.1 Ų | 36.1 | 0% | 0 | 19% | 0.193 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.4 | 122.3 | 179.4 | -55.9 | 173.5 | 0 | 0 | 0 | 107.3 | E300 I301 F303 F350 L352 F361 I395 L404 T405 I406 | E300-I397 CarbonylContact C-O 3.54Å; E300-I397 WeakPolarHBondContact CA-O 3.35Å; I301-I397 HydrophobicContact CB-CB 4.43Å; I301-I397 PolarHBondContact N-O 3.12Å; I301-I397 PolarHBondContact O-N 3.38Å; F303-I397 HydrophobicContact CE1-CD1 4.38Å; F350-I397 HydrophobicContact CE2-CG2 4.34Å; F350-I397 HydrophobicContact CZ-CD1 4.41Å; F350-I397 HydrophobicContact CZ-CG2 4.28Å; L352-I397 HydrophobicContact CD1-CD1 4.31Å; L352-I397 HydrophobicContact CD2-CD1 3.86Å; F361-I397 HydrophobicContact CE2-CG2 4.48Å; I395-I397 HydrophobicContact CG2-CD1 4.47Å; I395-I397 HydrophobicContact CG2-CG1 4.19Å; I397-L404 HydrophobicContact CG2-CD1 3.74Å; I397-T405 WeakPolarHBondContact CA-O 2.99Å; I397-I406 HydrophobicContact CG1-CG1 4.49Å |
| 398 | V | 91.2 | Very high | 87.1 | Confident | 45 Ų | 45 | 36.5 Ų | 36.5 | 27% | 0.273 | 20% | 0.195 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.6 | 117.7 | 177.9 | -175.5 | 0 | 0 | 0 | 0 | 108.3 | G299 E300 Q396 L404 T405 | G299-V398 CarbonylContact O-C 3.54Å; G299-V398 WeakPolarHBondContact O-CA 3.4Å; E300-V398 HydrophobicContact CG-CG2 4.31Å; Q396-V398 HydrophobicContact CG-CG2 4.12Å; V398-L404 CarbonylContact O-C 3.58Å; V398-L404 WeakPolarHBondContact O-CA 3.34Å; V398-T405 PolarHBondContact N-O 3.27Å; V398-T405 PolarHBondContact O-N 2.87Å |
| 399 | F | 87.5 | Confident | 87.1 | Confident | 1 Ų | 1 | 40.3 Ų | 40.3 | 0% | 0.004 | 22% | 0.215 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -96.4 | 127.2 | 166.5 | 176.7 | -97.9 | 0 | 0 | 0 | 108.5 | W293 V296 L297 H298 G299 L363 T365 D403 L426 | W293-F399 HydrophobicContact CH2-CB 3.95Å; W293-F399 HydrophobicContact CZ3-CB 3.87Å; V296-F399 HydrophobicContact CG2-CD1 4.29Å; V296-F399 HydrophobicContact CG2-CE1 4.47Å; L297-F399 WeakPolarHBondContact O-CE1 3.39Å; H298-F399 CarbonylContact C-O 3.52Å; H298-F399 VanDerWaalsContact CA-O 3.26Å; H298-F399 WeakPolarHBondContact CA-O 3.2Å; G299-F399 PolarHBondContact N-O 3.45Å; G299-F399 PolarHBondContact O-N 3.11Å; L363-F399 HydrophobicContact CD2-CD2 4.22Å; L363-F399 HydrophobicContact CD2-CE2 4.04Å; T365-F399 HydrophobicContact CG2-CE2 4.38Å; F399-D403 CarbonylContact C-O 3.52Å; F399-D403 WeakPolarHBondContact CA-O 3.4Å; F399-L426 HydrophobicContact CD1-CB 4.48Å; F399-L426 HydrophobicContact CE1-CB 3.83Å; F399-L426 HydrophobicContact CE2-CB 4.24Å; F399-L426 HydrophobicContact CZ-CB 3.7Å |
| 400 | D | 86.8 | Confident | 87 | Confident | 67 Ų | 67 | 40.6 Ų | 40.6 | 36% | 0.358 | 23% | 0.231 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -145 | 105.3 | -175.4 | -175 | 16.1 | 0 | 0 | 0 | 111.3 | H298 G402 D403 | H298-D400 IonicContact CD2-OD1 3.25Å; H298-D400 PolarHBondContact CD2-OD1 3.2Å; H298-D400 IonicContact CE1-OD1 3.2Å; H298-D400 IonicContact CG-OD1 2.62Å; H298-D400 IonicContact NE2-OD1 3Å; H298-D400 PolarHBondContact NE2-OD1 2.86Å; D400-G402 PolarHBondContact O-N 2.84Å; D400-G402 VanDerWaalsContact O-N 3.12Å; D400-D403 PolarHBondContact N-O 3.33Å; D400-D403 WeakPolarHBondContact O-CA 3.44Å; D400-D403 VanDerWaalsContact O-CB 3.31Å; D400-D403 WeakPolarHBondContact O-CB 3.15Å; D400-D403 PolarHBondContact O-N 3.48Å |
| 401 | E | 80.8 | Confident | 86.8 | Confident | 67 Ų | 67 | 45.3 Ų | 45.3 | 31% | 0.313 | 25% | 0.251 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 47.9 | 41.7 | -179.6 | -56.1 | -157.6 | 170.5 | 0 | 0 | 114.3 | L297 D403 K421 K424 | L297-E401 HydrophobicContact CD1-CB 4.23Å; L297-E401 HydrophobicContact CD1-CG 3.89Å; L297-E401 HydrophobicContact CD2-CG 4.22Å; L297-E401 HydrophobicContact CG-CG 3.91Å; L297-E401 PolarHBondContact O-N 2.76Å; E401-D403 VanDerWaalsContact C-N 3.3Å; E401-D403 PolarHBondContact O-N 3.07Å; E401-K421 WeakPolarHBondContact O-CD 3.29Å; E401-K421 PolarHBondContact O-NZ 3.31Å; E401-K424 CarbonylContact C-O 3.17Å; E401-K424 HydrophobicContact CB-CD 4.4Å; E401-K424 IonicContact OE2-NZ 3.22Å; E401-K424 PolarHBondContact OE2-NZ 2.84Å |
| 402 | G | 74.1 | Confident | 86.2 | Confident | 20 Ų | 20 | 44.3 Ų | 44.3 | 21% | 0.206 | 25% | 0.252 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 85.3 | -7.8 | -176.5 | 0 | 0 | 0 | 0 | 0 | 114.9 | D400 K424 | D400-G402 PolarHBondContact O-N 2.84Å; D400-G402 VanDerWaalsContact O-N 3.12Å; G402-K424 PolarHBondContact N-O 3.21Å |
| 403 | D | 76.6 | Confident | 85.2 | Confident | 49 Ų | 49 | 41.1 Ų | 41.1 | 26% | 0.262 | 24% | 0.238 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -82.5 | 149.1 | 166.8 | -66.5 | -28.1 | 0 | 0 | 0 | 110.4 | F399 D400 E401 H416 G417 K421 | F399-D403 CarbonylContact C-O 3.52Å; F399-D403 WeakPolarHBondContact CA-O 3.4Å; D400-D403 PolarHBondContact N-O 3.33Å; D400-D403 WeakPolarHBondContact O-CA 3.44Å; D400-D403 VanDerWaalsContact O-CB 3.31Å; D400-D403 WeakPolarHBondContact O-CB 3.15Å; D400-D403 PolarHBondContact O-N 3.48Å; E401-D403 VanDerWaalsContact C-N 3.3Å; E401-D403 PolarHBondContact O-N 3.07Å; D403-H416 VanDerWaalsContact CA-O 3.24Å; D403-H416 WeakPolarHBondContact CA-O 3.47Å; D403-H416 VanDerWaalsContact CB-O 3.32Å; D403-H416 WeakPolarHBondContact CB-O 3.42Å; D403-G417 WeakPolarHBondContact OD1-CA 3.37Å; D403-K421 WeakPolarHBondContact OD1-CE 3.31Å; D403-K421 IonicContact OD1-NZ 3.81Å; D403-K421 PolarHBondContact OD1-NZ 3.15Å; D403-K421 IonicContact OD2-NZ 2.79Å; D403-K421 PolarHBondContact OD2-NZ 3.42Å |
| 404 | L | 77.6 | Confident | 83.9 | Confident | 4 Ų | 4 | 40.8 Ų | 40.8 | 2% | 0.021 | 24% | 0.237 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.1 | 126.4 | 174.9 | -177.2 | 91.7 | 0 | 0 | 0 | 109.8 | F361 I397 V398 I406 T415 H416 | F361-L404 HydrophobicContact CD1-CD1 4.27Å; F361-L404 HydrophobicContact CD1-CD2 3.09Å; F361-L404 HydrophobicContact CD1-CG 4.23Å; F361-L404 HydrophobicContact CE1-CD1 3.42Å; F361-L404 VanDerWaalsContact CE1-CD1 3.42Å; F361-L404 HydrophobicContact CE1-CD2 3.08Å; F361-L404 HydrophobicContact CE1-CG 3.78Å; F361-L404 HydrophobicContact CE2-CD1 4.23Å; F361-L404 HydrophobicContact CG-CD2 3.83Å; F361-L404 HydrophobicContact CZ-CD1 3.42Å; F361-L404 VanDerWaalsContact CZ-CD1 3.42Å; F361-L404 HydrophobicContact CZ-CD2 3.91Å; F361-L404 HydrophobicContact CZ-CG 4.25Å; I397-L404 HydrophobicContact CG2-CD1 3.74Å; V398-L404 CarbonylContact O-C 3.58Å; V398-L404 WeakPolarHBondContact O-CA 3.34Å; L404-I406 HydrophobicContact CD2-CD1 3.86Å; L404-I406 HydrophobicContact CD2-CG1 3.82Å; L404-I406 HydrophobicContact CG-CG1 4.3Å; L404-T415 WeakPolarHBondContact O-CA 3.34Å; L404-H416 PolarHBondContact N-O 3.41Å; L404-H416 PolarHBondContact O-N 2.7Å; L404-H416 VanDerWaalsContact O-N 3.08Å |
| 405 | T | 84.1 | Confident | 82.1 | Confident | 39 Ų | 39 | 43 Ų | 43 | 24% | 0.239 | 25% | 0.249 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.3 | 127.1 | 169 | -54.3 | 0 | 0 | 0 | 0 | 110.4 | I397 V398 V414 T415 | I397-T405 WeakPolarHBondContact CA-O 2.99Å; V398-T405 PolarHBondContact N-O 3.27Å; V398-T405 PolarHBondContact O-N 2.87Å; T405-V414 CarbonylContact C-O 3.58Å; T405-V414 VanDerWaalsContact CA-O 3.26Å; T405-V414 WeakPolarHBondContact CA-O 3.24Å; T405-T415 HydrophobicContact CG2-CG2 3.96Å |
| 406 | I | 86.7 | Confident | 80.6 | Confident | 4 Ų | 4 | 45.3 Ų | 45.3 | 2% | 0.021 | 26% | 0.259 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.3 | 121.7 | 170 | -55.6 | 176 | 0 | 0 | 0 | 108.6 | L359 F361 Q396 I397 L404 V408 L413 V414 | L359-I406 HydrophobicContact CD1-CG2 4.5Å; F361-I406 HydrophobicContact CB-CD1 3.47Å; F361-I406 VanDerWaalsContact CB-CD1 3.47Å; F361-I406 HydrophobicContact CD1-CD1 4.43Å; F361-I406 HydrophobicContact CD2-CD1 4.27Å; F361-I406 HydrophobicContact CG-CD1 3.82Å; Q396-I406 WeakPolarHBondContact O-CA 3.28Å; I397-I406 HydrophobicContact CG1-CG1 4.49Å; L404-I406 HydrophobicContact CD2-CD1 3.86Å; L404-I406 HydrophobicContact CD2-CG1 3.82Å; L404-I406 HydrophobicContact CG-CG1 4.3Å; I406-V408 HydrophobicContact CG2-CG2 4.24Å; I406-L413 PolarHBondContact O-N 3.16Å; I406-V414 HydrophobicContact CB-CB 4.32Å; I406-V414 PolarHBondContact N-O 2.95Å; I406-V414 PolarHBondContact O-N 3Å |
| 407 | N | 89.2 | Confident | 78.5 | Confident | 24 Ų | 24 | 44.7 Ų | 44.7 | 13% | 0.128 | 27% | 0.27 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.1 | 129.1 | 175.2 | -177.6 | -13.2 | 0 | 0 | 0 | 109.2 | I395 Q396 G410 E411 | I395-N407 WeakPolarHBondContact CA-O 3.37Å; Q396-N407 HydrophobicContact CB-CB 4.23Å; Q396-N407 PolarHBondContact N-O 3.34Å; Q396-N407 PolarHBondContact O-N 3.37Å; N407-G410 WeakPolarHBondContact OD1-CA 3.34Å; N407-G410 PolarHBondContact OD1-N 2.95Å; N407-E411 WeakPolarHBondContact CA-O 3.34Å; N407-E411 PolarHBondContact OD1-N 3.2Å; N407-E411 PolarHBondContact OD1-O 2.73Å |
| 408 | V | 89.4 | Confident | 76.4 | Confident | 10 Ų | 10 | 49.3 Ų | 49.3 | 6% | 0.061 | 30% | 0.298 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.2 | 123.2 | 175.3 | -179.9 | 0 | 0 | 0 | 0 | 108.4 | L359 I387 S394 I395 I406 G410 E411 L413 | L359-V408 HydrophobicContact CD1-CG2 3.66Å; I387-V408 HydrophobicContact CG2-CG1 4.09Å; S394-V408 CarbonylContact O-C 3.54Å; S394-V408 WeakPolarHBondContact O-CA 3.43Å; I395-V408 HydrophobicContact CG1-CG2 4.4Å; I406-V408 HydrophobicContact CG2-CG2 4.24Å; V408-G410 PolarHBondContact O-N 2.92Å; V408-G410 VanDerWaalsContact O-N 3.1Å; V408-E411 PolarHBondContact N-O 2.92Å; V408-E411 PolarHBondContact O-N 2.92Å; V408-L413 HydrophobicContact CB-CD1 3.63Å; V408-L413 HydrophobicContact CB-CG 4.2Å; V408-L413 HydrophobicContact CG1-CD1 4.5Å; V408-L413 HydrophobicContact CG2-CD1 3.37Å; V408-L413 HydrophobicContact CG2-CG 4.21Å |
| 409 | D | 89.7 | Confident | 74.5 | Confident | 87 Ų | 87 | 51.3 Ų | 51.3 | 47% | 0.465 | 33% | 0.328 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 53.9 | 26.8 | -178.6 | -57.5 | -36.2 | 0 | 0 | 0 | 114.8 | H393 S394 | H393-D409 VanDerWaalsContact CA-OD1 3.24Å; H393-D409 WeakPolarHBondContact CA-OD1 3.49Å; H393-D409 IonicContact CE1-OD2 2.96Å; H393-D409 IonicContact CG-OD2 3.74Å; H393-D409 IonicContact ND1-OD1 3.39Å; H393-D409 IonicContact ND1-OD2 3.78Å; H393-D409 PolarHBondContact ND1-OD2 3.13Å; S394-D409 PolarHBondContact N-OD1 2.92Å; S394-D409 PolarHBondContact O-N 2.98Å |
| 410 | G | 84.8 | Confident | 72.7 | Confident | 62 Ų | 62 | 58.5 Ų | 58.5 | 64% | 0.639 | 37% | 0.365 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 91.9 | -7.1 | -177.3 | 0 | 0 | 0 | 0 | 0 | 114.4 | N407 V408 | N407-G410 WeakPolarHBondContact OD1-CA 3.34Å; N407-G410 PolarHBondContact OD1-N 2.95Å; V408-G410 PolarHBondContact O-N 2.92Å; V408-G410 VanDerWaalsContact O-N 3.1Å |
| 411 | E | 82.7 | Confident | 71.1 | Confident | 107 Ų | 107 | 58.5 Ų | 58.5 | 50% | 0.5 | 36% | 0.362 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.2 | 122.9 | 172.3 | -63.8 | -163.9 | 175.1 | 0 | 0 | 111.9 | K384 N407 V408 L413 | K384-E411 WeakPolarHBondContact CE-OE2 3.42Å; K384-E411 IonicContact NZ-OE2 3.23Å; K384-E411 PolarHBondContact NZ-OE2 2.81Å; N407-E411 WeakPolarHBondContact CA-O 3.34Å; N407-E411 PolarHBondContact OD1-N 3.2Å; N407-E411 PolarHBondContact OD1-O 2.73Å; V408-E411 PolarHBondContact N-O 2.92Å; V408-E411 PolarHBondContact O-N 2.92Å; E411-L413 PolarHBondContact O-N 2.81Å |
| 412 | N | 74.1 | Confident | 69.7 | Low | 109 Ų | 109 | 59.7 Ų | 59.7 | 58% | 0.583 | 37% | 0.374 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -68.6 | 112.5 | 170.1 | -70.5 | -21.4 | 0 | 0 | 0 | 109.8 | ||
| 413 | L | 68 | Low | 69 | Low | 39 Ų | 39 | 64.3 Ų | 64.3 | 20% | 0.204 | 39% | 0.386 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.5 | -31.1 | -178.5 | -67.1 | -176.5 | 0 | 0 | 0 | 113 | Y378 I406 V408 E411 | Y378-L413 HydrophobicContact CD2-CD2 4.24Å; Y378-L413 HydrophobicContact CE2-CD1 3.81Å; Y378-L413 HydrophobicContact CE2-CD2 3.88Å; Y378-L413 HydrophobicContact CE2-CG 4.33Å; I406-L413 PolarHBondContact O-N 3.16Å; V408-L413 HydrophobicContact CB-CD1 3.63Å; V408-L413 HydrophobicContact CB-CG 4.2Å; V408-L413 HydrophobicContact CG1-CD1 4.5Å; V408-L413 HydrophobicContact CG2-CD1 3.37Å; V408-L413 HydrophobicContact CG2-CG 4.21Å; E411-L413 PolarHBondContact O-N 2.81Å |
| 414 | V | 64.8 | Low | 68.8 | Low | 9 Ų | 9 | 66.3 Ų | 66.3 | 6% | 0.055 | 39% | 0.392 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -147.3 | 129.1 | -171.6 | 177.1 | 0 | 0 | 0 | 0 | 109.8 | P372 F374 T405 I406 | P372-V414 HydrophobicContact CB-CG1 3.45Å; P372-V414 VanDerWaalsContact CB-CG1 3.45Å; P372-V414 HydrophobicContact CB-CG2 4.42Å; P372-V414 HydrophobicContact CG-CG1 3.84Å; F374-V414 HydrophobicContact CD1-CG2 3.69Å; F374-V414 HydrophobicContact CE1-CG2 3.44Å; F374-V414 VanDerWaalsContact CE1-CG2 3.44Å; F374-V414 HydrophobicContact CZ-CG2 4.12Å; T405-V414 CarbonylContact C-O 3.58Å; T405-V414 VanDerWaalsContact CA-O 3.26Å; T405-V414 WeakPolarHBondContact CA-O 3.24Å; I406-V414 HydrophobicContact CB-CB 4.32Å; I406-V414 PolarHBondContact N-O 2.95Å; I406-V414 PolarHBondContact O-N 3Å |
| 415 | T | 57.1 | Low | 68.7 | Low | 98 Ų | 98 | 72.6 Ų | 72.6 | 60% | 0.601 | 42% | 0.417 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -132.1 | 114.6 | 164.4 | 55.1 | 0 | 0 | 0 | 0 | 108.7 | L404 T405 | L404-T415 WeakPolarHBondContact O-CA 3.34Å; T405-T415 HydrophobicContact CG2-CG2 3.96Å |
| 416 | H | 61.6 | Low | 68.4 | Low | 48 Ų | 48 | 70.8 Ų | 70.8 | 22% | 0.222 | 41% | 0.405 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.8 | 132.4 | 170.3 | -90 | -89.8 | 0 | 0 | 0 | 110.3 | V370 P372 D403 L404 | V370-H416 HydrophobicContact CG1-CB 4.34Å; P372-H416 WeakPolarHBondContact CA-NE2 3.46Å; P372-H416 WeakPolarHBondContact CB-CD2 3.29Å; P372-H416 VanDerWaalsContact CB-NE2 3.32Å; P372-H416 WeakPolarHBondContact CB-NE2 3.48Å; D403-H416 VanDerWaalsContact CA-O 3.24Å; D403-H416 WeakPolarHBondContact CA-O 3.47Å; D403-H416 VanDerWaalsContact CB-O 3.32Å; D403-H416 WeakPolarHBondContact CB-O 3.42Å; L404-H416 PolarHBondContact N-O 3.41Å; L404-H416 PolarHBondContact O-N 2.7Å; L404-H416 VanDerWaalsContact O-N 3.08Å |
| 417 | G | 49.8 | Very low | 67.9 | Low | 50 Ų | 50 | 72.2 Ų | 72.2 | 52% | 0.515 | 41% | 0.413 | S | S | . | . | trans | -160.5 | 82.9 | 171.4 | 0 | 0 | 0 | 0 | 0 | 110.4 | D403 G419 | D403-G417 WeakPolarHBondContact OD1-CA 3.37Å; G417-G419 PolarHBondContact O-N 3.43Å | ||
| 418 | T | 47.2 | Very low | 67.6 | Low | 97 Ų | 97 | 71.2 Ų | 71.2 | 60% | 0.595 | 41% | 0.407 | S | S | * | . | trans | -70.3 | 128.9 | 172.6 | 49.3 | 0 | 0 | 0 | 0 | 109 | I420 | T418-I420 PolarHBondContact O-N 3.11Š| ||
| 419 | G | 52.7 | Low | 66.9 | Low | 87 Ų | 87 | 71.1 Ų | 71.1 | 90% | 0.897 | 41% | 0.407 | S | S | * | . | S | Bend | trans | -60.9 | -3 | -165.1 | 0 | 0 | 0 | 0 | 0 | 118 | G417 | G417-G419 PolarHBondContact O-N 3.43Š|
| 420 | I | 48.9 | Very low | 66.3 | Low | 151 Ų | 151 | 70.3 Ų | 70.3 | 77% | 0.774 | 40% | 0.4 | S | S | * | . | S | Bend | trans | -133.7 | 109.1 | 169.4 | -54.1 | 174.7 | 0 | 0 | 0 | 107.3 | T418 | T418-I420 PolarHBondContact O-N 3.11Š|
| 421 | K | 54.1 | Low | 66.3 | Low | 67 Ų | 67 | 69.1 Ų | 69.1 | 29% | 0.291 | 38% | 0.377 | S | S | . | . | trans | -100 | 111.2 | -179.1 | -56.9 | -177.1 | -171.4 | 173.8 | 0 | 109.5 | E401 D403 Y423 | E401-K421 WeakPolarHBondContact O-CD 3.29Å; E401-K421 PolarHBondContact O-NZ 3.31Å; D403-K421 WeakPolarHBondContact OD1-CE 3.31Å; D403-K421 IonicContact OD1-NZ 3.81Å; D403-K421 PolarHBondContact OD1-NZ 3.15Å; D403-K421 IonicContact OD2-NZ 2.79Å; D403-K421 PolarHBondContact OD2-NZ 3.42Å; K421-Y423 VanDerWaalsContact C-N 3.34Å | ||
| 422 | T | 51.6 | Low | 66.7 | Low | 92 Ų | 92 | 64 Ų | 64 | 56% | 0.564 | 35% | 0.353 | S | S | * | . | S | Bend | trans | -71.3 | -29 | 176.7 | 43.3 | 0 | 0 | 0 | 0 | 112.3 | S367 | S367-T422 PolarHBondContact OG-OG1 3.25Š|
| 423 | Y | 59.2 | Low | 67.5 | Low | 117 Ų | 117 | 59 Ų | 59 | 46% | 0.459 | 33% | 0.326 | S | S | . | . | trans | -138.1 | 125.2 | 178.1 | -60.8 | -92.2 | 0 | 0 | 0 | 111.1 | T365 S367 K421 | T365-Y423 VanDerWaalsContact O-CB 3.32Å; T365-Y423 WeakPolarHBondContact O-CB 3.12Å; S367-Y423 WeakPolarHBondContact OG-CD2 3.5Å; S367-Y423 WeakPolarHBondContact OG-CE2 3.25Å; K421-Y423 VanDerWaalsContact C-N 3.34Å | ||
| 424 | K | 71.8 | Confident | 68.7 | Low | 91 Ų | 91 | 57.2 Ų | 57.2 | 40% | 0.396 | 32% | 0.316 | S | S | . | . | trans | -98.7 | -20.7 | -179 | -66.5 | -173 | 169.7 | -156 | 0 | 114.1 | L297 E401 G402 | L297-K424 HydrophobicContact CD1-CB 3.77Å; E401-K424 CarbonylContact C-O 3.17Å; E401-K424 HydrophobicContact CB-CD 4.4Å; E401-K424 IonicContact OE2-NZ 3.22Å; E401-K424 PolarHBondContact OE2-NZ 2.84Å; G402-K424 PolarHBondContact N-O 3.21Å | ||
| 425 | Y | 75.5 | Confident | 70.1 | Confident | 137 Ų | 137 | 56.8 Ų | 56.8 | 54% | 0.537 | 31% | 0.314 | S | S | . | . | trans | -96.9 | 146.8 | -176.6 | -60.9 | -88.9 | 0 | 0 | 0 | 110 | V295 V296 L297 | V295-Y425 HydrophobicContact CG1-CD1 4.3Å; V296-Y425 WeakPolarHBondContact O-CA 3.32Å; L297-Y425 HydrophobicContact CB-CD1 3.92Å; L297-Y425 HydrophobicContact CB-CE1 3.83Å; L297-Y425 HydrophobicContact CD1-CD1 3.95Å; L297-Y425 HydrophobicContact CD1-CE1 3.79Å; L297-Y425 HydrophobicContact CD1-CE2 4.44Å; L297-Y425 HydrophobicContact CD1-CG 4.36Å; L297-Y425 HydrophobicContact CD2-CE1 4.4Å; L297-Y425 HydrophobicContact CG-CE1 4.22Å | ||
| 426 | L | 78.3 | Confident | 71.7 | Confident | 0 Ų | 0 | 52.1 Ų | 52.1 | 0% | 0 | 29% | 0.285 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.4 | 122.8 | 168.3 | -170.6 | 69.5 | 0 | 0 | 0 | 108.5 | W293 V295 V296 D348 F350 L363 T365 F399 L428 | W293-L426 HydrophobicContact CE3-CD2 4.04Å; W293-L426 HydrophobicContact CZ3-CD2 4.31Å; V295-L426 CarbonylContact C-O 3.49Å; V295-L426 WeakPolarHBondContact CA-O 3.34Å; V296-L426 HydrophobicContact CG2-CB 4.15Å; V296-L426 PolarHBondContact N-O 2.79Å; V296-L426 PolarHBondContact O-N 3.09Å; D348-L426 HydrophobicContact CB-CD1 3.93Å; F350-L426 HydrophobicContact CB-CD2 4.48Å; F350-L426 HydrophobicContact CD2-CD2 4.23Å; L363-L426 HydrophobicContact CD1-CD1 3.68Å; L363-L426 HydrophobicContact CD1-CD2 3.96Å; L363-L426 HydrophobicContact CD1-CG 4.48Å; T365-L426 HydrophobicContact CG2-CD1 3.96Å; F399-L426 HydrophobicContact CD1-CB 4.48Å; F399-L426 HydrophobicContact CE1-CB 3.83Å; F399-L426 HydrophobicContact CE2-CB 4.24Å; F399-L426 HydrophobicContact CZ-CB 3.7Å; L426-L428 HydrophobicContact CD1-CD2 4.33Å; L426-L428 HydrophobicContact CD2-CD1 3.72Å; L426-L428 HydrophobicContact CD2-CD2 4.37Å; L426-L428 HydrophobicContact CD2-CG 4.02Å; L426-L428 HydrophobicContact CG-CD1 4.18Å; L426-L428 HydrophobicContact CG-CD2 4.12Å; L426-L428 HydrophobicContact CG-CG 3.9Å |
| 427 | N | 75.2 | Confident | 72.9 | Confident | 34 Ų | 34 | 50 Ų | 50 | 18% | 0.182 | 28% | 0.275 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.3 | 92.2 | -177.7 | -179 | 25 | 0 | 0 | 0 | 111.3 | K294 V295 S319 D348 | K294-N427 CarbonylContact O-C 3.52Å; K294-N427 WeakPolarHBondContact O-CA 3.27Å; V295-N427 HydrophobicContact CG2-CB 4.28Å; V295-N427 WeakPolarHBondContact CG2-OD1 3.44Å; S319-N427 WeakPolarHBondContact CA-O 3.48Å; S319-N427 WeakPolarHBondContact CB-O 3.32Å; D348-N427 WeakPolarHBondContact CB-O 3.41Å; D348-N427 WeakPolarHBondContact OD2-CB 3.48Å; D348-N427 PolarHBondContact OD2-N 2.96Å |
| 428 | L | 82.3 | Confident | 74.2 | Confident | 3 Ų | 3 | 48 Ų | 48 | 2% | 0.016 | 25% | 0.253 | C | S | . | . | trans | -104.6 | 173.9 | 178.9 | -56.7 | 177.6 | 0 | 0 | 0 | 112.2 | W293 K294 N318 D348 F350 L426 E430 F432 | W293-L428 HydrophobicContact CB-CD1 4.27Å; W293-L428 HydrophobicContact CE3-CD1 4.43Å; W293-L428 VanDerWaalsContact O-CB 3.32Å; W293-L428 WeakPolarHBondContact O-CB 3.32Å; K294-L428 WeakPolarHBondContact CA-O 3.06Å; K294-L428 PolarHBondContact O-N 3.05Å; N318-L428 CarbonylContact O-C 3.59Å; N318-L428 WeakPolarHBondContact O-CA 3.4Å; D348-L428 HydrophobicContact CB-CD2 4.23Å; F350-L428 HydrophobicContact CB-CD1 3.88Å; F350-L428 HydrophobicContact CB-CD2 4.24Å; F350-L428 HydrophobicContact CG-CD1 4.49Å; L426-L428 HydrophobicContact CD1-CD2 4.33Å; L426-L428 HydrophobicContact CD2-CD1 3.72Å; L426-L428 HydrophobicContact CD2-CD2 4.37Å; L426-L428 HydrophobicContact CD2-CG 4.02Å; L426-L428 HydrophobicContact CG-CD1 4.18Å; L426-L428 HydrophobicContact CG-CD2 4.12Å; L426-L428 HydrophobicContact CG-CG 3.9Å; L428-E430 VanDerWaalsContact C-N 3.29Å; L428-E430 PolarHBondContact O-N 2.91Å; L428-F432 HydrophobicContact CD1-CE1 4.12Å | ||
| 429 | N | 74.5 | Confident | 75.5 | Confident | 8 Ų | 8 | 46.2 Ų | 46.2 | 4% | 0.043 | 24% | 0.238 | C | C | . | . | trans | -86.4 | 20.3 | -175.3 | 68.2 | -1 | 0 | 0 | 0 | 115 | S317 N318 I320 Y431 | S317-N429 PolarHBondContact OG-OD1 3.36Å; N318-N429 WeakPolarHBondContact O-CB 3.5Å; N318-N429 PolarHBondContact O-N 3.33Å; N318-N429 PolarHBondContact O-OD1 3.19Å; N318-N429 PolarHBondContact OD1-ND2 3.45Å; I320-N429 VanDerWaalsContact C-CB 3.49Å; I320-N429 WeakPolarHBondContact O-CB 2.94Å; I320-N429 PolarHBondContact O-ND2 2.83Å; N429-Y431 VanDerWaalsContact O-CD2 3.27Å; N429-Y431 WeakPolarHBondContact O-CD2 3.35Å; N429-Y431 PolarHBondContact O-N 3.35Å; N429-Y431 VanDerWaalsContact O-N 3.15Å; N429-Y431 PolarHBondContact OD1-N 2.7Å; N429-Y431 PolarHBondContact OD1-O 2.64Å; N429-Y431 VanDerWaalsContact OD1-O 3.06Å | ||
| 430 | E | 79.2 | Confident | 76.1 | Confident | 70 Ų | 70 | 43.8 Ų | 43.8 | 33% | 0.327 | 21% | 0.208 | S | C | . | . | S | Bend | trans | 68.2 | -1.8 | -177.3 | -156.5 | -178 | 154.3 | 0 | 0 | 115 | K291 G292 W293 K294 L428 | K291-E430 CarbonylContact C-O 3.51Å; K291-E430 VanDerWaalsContact CA-O 3.31Å; K291-E430 WeakPolarHBondContact CA-O 3.16Å; G292-E430 PolarHBondContact N-O 2.79Å; W293-E430 WeakPolarHBondContact O-CA 3.01Å; W293-E430 PolarHBondContact O-N 2.78Å; K294-E430 HydrophobicContact CB-CB 4.28Å; K294-E430 HydrophobicContact CB-CG 4.47Å; L428-E430 VanDerWaalsContact C-N 3.29Å; L428-E430 PolarHBondContact O-N 2.91Å |
| 431 | Y | 83.8 | Confident | 77.1 | Confident | 37 Ų | 37 | 37 Ų | 37 | 15% | 0.145 | 17% | 0.173 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.8 | 135 | -177.3 | -65.5 | -73.9 | 0 | 0 | 0 | 113.1 | R289 I290 K291 S317 N429 | R289-Y431 HydrophobicContact CG-CD1 3.83Å; R289-Y431 HydrophobicContact CG-CG 4.21Å; I290-Y431 WeakPolarHBondContact O-CA 3.28Å; K291-Y431 HydrophobicContact CG-CE1 4.16Å; S317-Y431 WeakPolarHBondContact CB-O 3.48Å; S317-Y431 PolarHBondContact OG-O 3.33Å; N429-Y431 VanDerWaalsContact O-CD2 3.27Å; N429-Y431 WeakPolarHBondContact O-CD2 3.35Å; N429-Y431 PolarHBondContact O-N 3.35Å; N429-Y431 VanDerWaalsContact O-N 3.15Å; N429-Y431 PolarHBondContact OD1-N 2.7Å; N429-Y431 PolarHBondContact OD1-O 2.64Å; N429-Y431 VanDerWaalsContact OD1-O 3.06Å |
| 432 | F | 91.1 | Very high | 78.1 | Confident | 0 Ų | 0 | 34.1 Ų | 34.1 | 0% | 0 | 16% | 0.16 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -100.2 | 122.5 | 164.1 | -68.2 | -53.7 | 0 | 0 | 0 | 109.6 | R289 I290 W293 I301 I315 F350 L428 I434 V470 | R289-F432 WeakPolarHBondContact CA-O 3.4Å; I290-F432 PolarHBondContact N-O 2.82Å; I290-F432 PolarHBondContact O-N 2.9Å; W293-F432 HydrophobicContact CB-CZ 4.2Å; W293-F432 HydrophobicContact CD2-CE2 4.35Å; W293-F432 AromaticContact CD2-CZ 3.71Å; W293-F432 HydrophobicContact CD2-CZ 3.71Å; W293-F432 AromaticContact CE3-CZ 3.93Å; W293-F432 HydrophobicContact CE3-CZ 3.93Å; W293-F432 HydrophobicContact CG-CE2 4.26Å; W293-F432 AromaticContact CG-CZ 3.85Å; W293-F432 HydrophobicContact CG-CZ 3.85Å; I301-F432 HydrophobicContact CD1-CD2 4.29Å; I301-F432 HydrophobicContact CD1-CE1 4.16Å; I301-F432 HydrophobicContact CD1-CE2 3.64Å; I301-F432 HydrophobicContact CD1-CZ 3.6Å; I301-F432 HydrophobicContact CG1-CE2 4.4Å; I315-F432 HydrophobicContact CG2-CB 4.1Å; I315-F432 HydrophobicContact CG2-CD1 3.72Å; I315-F432 HydrophobicContact CG2-CG 4.1Å; F350-F432 HydrophobicContact CD1-CD1 4.29Å; F350-F432 AromaticContact CD1-CE1 3.81Å; F350-F432 HydrophobicContact CD1-CE1 3.81Å; F350-F432 HydrophobicContact CE1-CE1 4.04Å; F350-F432 HydrophobicContact CG-CE1 4.34Å; L428-F432 HydrophobicContact CD1-CE1 4.12Å; F432-I434 HydrophobicContact CB-CG1 4.27Å; F432-V470 HydrophobicContact CD2-CG2 4.44Å; F432-V470 HydrophobicContact CE2-CG1 4.15Å; F432-V470 HydrophobicContact CE2-CG2 4.47Å |
| 433 | Y | 90.7 | Very high | 78.5 | Confident | 4 Ų | 4 | 30.4 Ų | 30.4 | 2% | 0.016 | 14% | 0.137 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -84.6 | 123.2 | 163.8 | -57.6 | -88.5 | 0 | 0 | 0 | 108.4 | Y287 L288 R289 I315 Y316 E322 G436 L437 P438 | Y287-Y433 HydrophobicContact CD2-CD1 4.01Å; Y287-Y433 HydrophobicContact CE2-CD1 4.31Å; L288-Y433 CarbonylContact O-C 3.55Å; L288-Y433 WeakPolarHBondContact O-CA 2.99Å; R289-Y433 HydrophobicContact CG-CE1 4.38Å; I315-Y433 CarbonylContact C-O 3.46Å; I315-Y433 VanDerWaalsContact CA-O 3.32Å; I315-Y433 WeakPolarHBondContact CA-O 2.89Å; Y316-Y433 HydrophobicContact CD1-CD2 4.14Å; Y316-Y433 PolarHBondContact N-O 3.46Å; Y316-Y433 WeakPolarHBondContact O-CD2 3.29Å; Y316-Y433 PolarHBondContact O-N 2.67Å; E322-Y433 WeakPolarHBondContact CG-OH 3.15Å; E322-Y433 PolarHBondContact OE1-OH 3.14Å; Y433-G436 WeakPolarHBondContact CB-O 3.46Å; Y433-L437 HydrophobicContact CD1-CD2 4.27Å; Y433-L437 HydrophobicContact CD2-CD2 3.84Å; Y433-L437 HydrophobicContact CG-CD2 3.67Å; Y433-P438 HydrophobicContact CD1-CG 4.38Å; Y433-P438 HydrophobicContact CE1-CG 4.02Å |
| 434 | I | 93.9 | Very high | 78.4 | Confident | 2 Ų | 2 | 25.9 Ų | 25.9 | 1% | 0.01 | 12% | 0.12 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.8 | 128 | -174 | -58.4 | 167.4 | 0 | 0 | 0 | 108.9 | F281 Y287 L288 I290 I314 F432 G436 L465 F468 | F281-I434 WeakPolarHBondContact CE1-O 3.32Å; F281-I434 HydrophobicContact CZ-CG2 4.12Å; Y287-I434 CarbonylContact C-O 3.52Å; Y287-I434 VanDerWaalsContact CA-O 3.24Å; Y287-I434 WeakPolarHBondContact CA-O 3.29Å; L288-I434 HydrophobicContact CB-CB 4.27Å; L288-I434 PolarHBondContact N-O 3.46Å; L288-I434 PolarHBondContact O-N 3.02Å; I290-I434 HydrophobicContact CB-CD1 4.14Å; I290-I434 HydrophobicContact CD1-CD1 3.34Å; I290-I434 HydrophobicContact CG1-CD1 3.68Å; I314-I434 CarbonylContact O-C 3.5Å; I314-I434 VanDerWaalsContact O-CA 3.27Å; I314-I434 WeakPolarHBondContact O-CA 3.5Å; F432-I434 HydrophobicContact CB-CG1 4.27Å; I434-G436 VanDerWaalsContact C-N 3.27Å; I434-G436 PolarHBondContact O-N 2.9Å; I434-L465 HydrophobicContact CG2-CD1 3.29Å; I434-F468 HydrophobicContact CD1-CD1 4.12Å; I434-F468 HydrophobicContact CD1-CD2 4.28Å; I434-F468 HydrophobicContact CD1-CE1 3.55Å; I434-F468 HydrophobicContact CD1-CE2 3.75Å; I434-F468 HydrophobicContact CD1-CG 4.45Å; I434-F468 HydrophobicContact CD1-CZ 3.35Å; I434-F468 HydrophobicContact CG1-CE2 4.33Å; I434-F468 HydrophobicContact CG1-CZ 4Å; I434-F468 HydrophobicContact CG2-CE2 4.35Å |
| 435 | G | 93.1 | Very high | 77.5 | Confident | 0 Ų | 0 | 22.6 Ų | 22.6 | 0% | 0 | 11% | 0.107 | C | C | . | . | S | Bend | trans | 84.9 | -17.1 | 177.3 | 0 | 0 | 0 | 0 | 0 | 115.5 | S286 L313 I314 D460 F461 | S286-G435 CarbonylContact O-C 3.56Å; L313-G435 CarbonylContact O-C 3.57Å; L313-G435 WeakPolarHBondContact O-CA 3.37Å; L313-G435 VanDerWaalsContact O-O 3.13Å; I314-G435 PolarHBondContact O-N 2.82Å; G435-D460 WeakPolarHBondContact O-CB 3.09Å; G435-F461 WeakPolarHBondContact O-CB 3.29Å; G435-F461 PolarHBondContact O-N 2.81Å |
| 436 | G | 91.7 | Very high | 76.5 | Confident | 0 Ų | 0 | 18.2 Ų | 18.2 | 0% | 0 | 10% | 0.096 | C | C | . | . | trans | 177 | -171.1 | 177.4 | 0 | 0 | 0 | 0 | 0 | 112.9 | S286 Y287 Y433 I434 D460 | S286-G436 WeakPolarHBondContact O-CA 3.36Å; S286-G436 PolarHBondContact O-N 2.87Å; Y287-G436 VanDerWaalsContact CB-O 3.3Å; Y287-G436 WeakPolarHBondContact CB-O 3.08Å; Y433-G436 WeakPolarHBondContact CB-O 3.46Å; I434-G436 VanDerWaalsContact C-N 3.27Å; I434-G436 PolarHBondContact O-N 2.9Å; G436-D460 WeakPolarHBondContact CA-OD1 3.13Å | ||
| 437 | L | 86 | Confident | 75.5 | Confident | 2 Ų | 2 | 19.3 Ų | 19.3 | 1% | 0.01 | 10% | 0.101 | C | C | . | . | trans | -127.2 | 143.6 | 177.5 | -69.8 | 169.7 | 0 | 0 | 0 | 111.9 | L313 Y316 Y433 V441 R442 I448 A455 | L313-L437 HydrophobicContact CD2-CD1 3.67Å; L313-L437 HydrophobicContact CD2-CD2 4.44Å; L313-L437 HydrophobicContact CD2-CG 3.56Å; Y316-L437 HydrophobicContact CD1-CD1 4.16Å; Y316-L437 HydrophobicContact CD1-CD2 3.5Å; Y316-L437 HydrophobicContact CD1-CG 4.41Å; Y316-L437 HydrophobicContact CE1-CD1 4.46Å; Y316-L437 HydrophobicContact CE1-CD2 4.26Å; Y316-L437 HydrophobicContact CG-CD1 4.22Å; Y316-L437 HydrophobicContact CG-CD2 3.95Å; Y433-L437 HydrophobicContact CD1-CD2 4.27Å; Y433-L437 HydrophobicContact CD2-CD2 3.84Å; Y433-L437 HydrophobicContact CG-CD2 3.67Å; L437-V441 HydrophobicContact CD2-CG1 4.24Å; L437-R442 HydrophobicContact CB-CG 4.03Å; L437-R442 PolarHBondContact O-NE 2.81Å; L437-R442 PolarHBondContact O-NH2 3.4Å; L437-I448 HydrophobicContact CD1-CD1 4Å; L437-A455 HydrophobicContact CD1-CB 3.88Å | ||
| 438 | P | 77.5 | Confident | 75.4 | Confident | 9 Ų | 9 | 17.8 Ų | 17.8 | 6% | 0.058 | 9% | 0.093 | C | C | . | . | trans | -61.1 | 146.3 | 169.1 | 23.8 | -30 | 0 | 0 | 0 | 110.9 | Y287 Y433 S440 V441 R442 | Y287-P438 HydrophobicContact CD1-CB 4.43Å; Y287-P438 HydrophobicContact CE1-CB 3.67Å; Y287-P438 HydrophobicContact CE1-CG 4.3Å; Y287-P438 HydrophobicContact CE2-CB 4.43Å; Y287-P438 HydrophobicContact CE2-CG 4.28Å; Y433-P438 HydrophobicContact CD1-CG 4.38Å; Y433-P438 HydrophobicContact CE1-CG 4.02Å; P438-S440 PolarHBondContact O-N 3.46Å; P438-V441 HydrophobicContact CG-CB 3.89Å; P438-V441 HydrophobicContact CG-CG2 3.57Å; P438-V441 PolarHBondContact O-N 2.82Å; P438-R442 PolarHBondContact O-N 2.89Å; P438-R442 VanDerWaalsContact O-N 3.13Å | ||
| 439 | E | 74.1 | Confident | 75.2 | Confident | 60 Ų | 60 | 18.2 Ų | 18.2 | 28% | 0.28 | 10% | 0.096 | S | C | . | . | H | α-helix | trans | -57.8 | -36 | 179.9 | -173.1 | 57.2 | -146.9 | 0 | 0 | 112.3 | V441 R442 Q443 R458 I727 | E439-V441 VanDerWaalsContact C-N 3.31Å; E439-V441 PolarHBondContact O-N 2.73Å; E439-R442 PolarHBondContact O-N 2.89Å; E439-Q443 WeakPolarHBondContact O-CG 3.02Å; E439-Q443 PolarHBondContact O-N 3.18Å; E439-Q443 VanDerWaalsContact O-N 3.1Å; E439-Q443 PolarHBondContact OE1-NE2 2.72Å; E439-R458 IonicContact OE1-CZ 2.75Å; E439-R458 VanDerWaalsContact OE1-CZ 3.23Å; E439-R458 IonicContact OE1-NH1 3.82Å; E439-R458 PolarHBondContact OE1-NH1 3.1Å; E439-R458 IonicContact OE1-NH2 2.85Å; E439-R458 PolarHBondContact OE1-NH2 3.37Å; E439-R458 IonicContact OE2-CZ 3.74Å; E439-R458 IonicContact OE2-NH1 3.69Å; E439-R458 PolarHBondContact OE2-NH1 2.7Å; E439-I727 HydrophobicContact CG-CG2 3.99Å |
| 440 | S | 65.4 | Low | 75.4 | Confident | 36 Ų | 36 | 18.6 Ų | 18.6 | 25% | 0.252 | 10% | 0.099 | S | C | . | . | H | α-helix | trans | -57.2 | -42.8 | 175.3 | 51.3 | 0 | 0 | 0 | 0 | 112.2 | P438 I444 | P438-S440 PolarHBondContact O-N 3.46Å; S440-I444 VanDerWaalsContact O-CD1 3.27Å; S440-I444 WeakPolarHBondContact O-CD1 3.29Å; S440-I444 VanDerWaalsContact O-CG1 3.25Å; S440-I444 WeakPolarHBondContact O-CG1 3.18Å |
| 441 | V | 70.8 | Confident | 75.4 | Confident | 8 Ų | 8 | 16.1 Ų | 16.1 | 5% | 0.048 | 9% | 0.087 | C | C | . | . | H | α-helix | trans | -72.2 | -36.1 | 177.9 | 173.4 | 0 | 0 | 0 | 0 | 111.4 | L437 P438 E439 Q443 I444 | L437-V441 HydrophobicContact CD2-CG1 4.24Å; P438-V441 HydrophobicContact CG-CB 3.89Å; P438-V441 HydrophobicContact CG-CG2 3.57Å; P438-V441 PolarHBondContact O-N 2.82Å; E439-V441 VanDerWaalsContact C-N 3.31Å; E439-V441 PolarHBondContact O-N 2.73Å; V441-Q443 VanDerWaalsContact C-N 3.3Å; V441-Q443 PolarHBondContact O-N 3.27Å; V441-I444 WeakPolarHBondContact O-CB 3.07Å; V441-I444 PolarHBondContact O-N 2.87Å |
| 442 | R | 74.2 | Confident | 75.6 | Confident | 6 Ų | 6 | 14.3 Ų | 14.3 | 2% | 0.023 | 8% | 0.081 | C | C | . | . | H | α-helix | trans | -62.9 | -34.5 | 176.1 | -66.4 | -177 | -169.1 | -81.4 | -5 | 113.8 | L437 P438 E439 I444 N445 I448 A455 D460 | L437-R442 HydrophobicContact CB-CG 4.03Å; L437-R442 PolarHBondContact O-NE 2.81Å; L437-R442 PolarHBondContact O-NH2 3.4Å; P438-R442 PolarHBondContact O-N 2.89Å; P438-R442 VanDerWaalsContact O-N 3.13Å; E439-R442 PolarHBondContact O-N 2.89Å; R442-I444 PolarHBondContact O-N 3.18Å; R442-N445 WeakPolarHBondContact O-CB 3.31Å; R442-N445 PolarHBondContact O-N 2.95Å; R442-N445 PolarHBondContact O-OD1 3.38Å; R442-I448 HydrophobicContact CB-CD1 4.45Å; R442-I448 HydrophobicContact CG-CD1 4.4Å; R442-A455 PolarHBondContact NH1-O 3.05Å; R442-D460 IonicContact CZ-OD1 3.5Å; R442-D460 IonicContact CZ-OD2 2.97Å; R442-D460 IonicContact NH1-OD1 3.54Å; R442-D460 IonicContact NH2-OD1 2.71Å; R442-D460 PolarHBondContact NH2-OD1 2.97Å; R442-D460 IonicContact NH2-OD2 2.64Å; R442-D460 PolarHBondContact NH2-OD2 3.18Å |
| 443 | Q | 59.3 | Low | 75.6 | Confident | 15 Ų | 15 | 16.1 Ų | 16.1 | 7% | 0.07 | 9% | 0.087 | C | C | . | . | H | α-helix | trans | -80.2 | -15.8 | -178.1 | -66.9 | -165.3 | 18.6 | 0 | 0 | 113.4 | E439 V441 N445 I727 W728 | E439-Q443 WeakPolarHBondContact O-CG 3.02Å; E439-Q443 PolarHBondContact O-N 3.18Å; E439-Q443 VanDerWaalsContact O-N 3.1Å; E439-Q443 PolarHBondContact OE1-NE2 2.72Å; V441-Q443 VanDerWaalsContact C-N 3.3Å; V441-Q443 PolarHBondContact O-N 3.27Å; Q443-N445 PolarHBondContact O-N 3.1Å; Q443-I727 HydrophobicContact CB-CD1 3.99Å; Q443-I727 HydrophobicContact CG-CD1 4Å; Q443-W728 VanDerWaalsContact NE2-CE2 3.26Å |
| 444 | I | 58.5 | Low | 75.6 | Confident | 21 Ų | 21 | 16 Ų | 16 | 11% | 0.108 | 9% | 0.087 | C | C | . | . | trans | -80.6 | 47.1 | 166.8 | -64.4 | 168.7 | 0 | 0 | 0 | 108.3 | L325 S440 V441 R442 S446 F447 P1178 | L325-I444 HydrophobicContact CD1-CD1 3.84Å; L325-I444 HydrophobicContact CD2-CD1 4.03Å; L325-I444 HydrophobicContact CG-CD1 4.37Å; S440-I444 VanDerWaalsContact O-CD1 3.27Å; S440-I444 WeakPolarHBondContact O-CD1 3.29Å; S440-I444 VanDerWaalsContact O-CG1 3.25Å; S440-I444 WeakPolarHBondContact O-CG1 3.18Å; V441-I444 WeakPolarHBondContact O-CB 3.07Å; V441-I444 PolarHBondContact O-N 2.87Å; R442-I444 PolarHBondContact O-N 3.18Å; I444-S446 PolarHBondContact O-N 3.29Å; I444-F447 HydrophobicContact CB-CD2 4.42Å; I444-F447 HydrophobicContact CG2-CB 4.02Å; I444-F447 HydrophobicContact CG2-CD2 2.93Å; I444-F447 HydrophobicContact CG2-CE2 3.53Å; I444-F447 HydrophobicContact CG2-CG 3.74Å; I444-F447 PolarHBondContact O-N 2.93Å; I444-P1178 HydrophobicContact CB-CB 4.42Å; I444-P1178 HydrophobicContact CB-CG 3.67Å; I444-P1178 HydrophobicContact CD1-CG 4.39Å; I444-P1178 HydrophobicContact CG1-CG 3.6Å; I444-P1178 HydrophobicContact CG2-CB 3.56Å; I444-P1178 HydrophobicContact CG2-CG 3.11Å | ||
| 445 | N | 52.3 | Low | 75.4 | Confident | 22 Ų | 22 | 16 Ų | 16 | 12% | 0.118 | 9% | 0.088 | C | C | . | . | G | 310 helix | trans | -65.4 | -18.2 | -166.1 | -119.1 | 4.2 | 0 | 0 | 0 | 113.8 | R442 Q443 F447 I448 Q456 I559 | R442-N445 WeakPolarHBondContact O-CB 3.31Å; R442-N445 PolarHBondContact O-N 2.95Å; R442-N445 PolarHBondContact O-OD1 3.38Å; Q443-N445 PolarHBondContact O-N 3.1Å; N445-F447 PolarHBondContact O-N 3.07Å; N445-F447 VanDerWaalsContact O-N 3.16Å; N445-I448 PolarHBondContact O-N 2.81Å; N445-I448 WeakPolarHBondContact OD1-CD1 3.38Å; N445-Q456 PolarHBondContact ND2-OE1 3.43Å; N445-Q456 PolarHBondContact OD1-OE1 3.17Å; N445-I559 HydrophobicContact CB-CB 4.06Å; N445-I559 HydrophobicContact CB-CD1 4.38Å; N445-I559 HydrophobicContact CB-CG2 3.48Å; N445-I559 VanDerWaalsContact CB-CG2 3.48Å |
| 446 | S | 53.6 | Low | 75.1 | Confident | 45 Ų | 45 | 16.3 Ų | 16.3 | 32% | 0.315 | 9% | 0.089 | S | C | . | . | G | 310 helix | trans | -65.2 | -10 | 171 | 55.3 | 0 | 0 | 0 | 0 | 113.3 | I444 P1178 | I444-S446 PolarHBondContact O-N 3.29Å; S446-P1178 WeakPolarHBondContact OG-CB 3.42Å; S446-P1178 PolarHBondContact OG-O 2.89Å |
| 447 | F | 59.1 | Low | 75 | Confident | 23 Ų | 23 | 16.6 Ų | 16.6 | 10% | 0.101 | 9% | 0.09 | C | C | . | . | G | 310 helix | trans | -105.9 | -7.6 | 174.1 | -61.4 | -34.7 | 0 | 0 | 0 | 114.6 | Y316 I320 L325 F347 I444 N445 P1178 Y1181 | Y316-F447 PolarHBondContact OH-O 3.11Å; I320-F447 HydrophobicContact CD1-CB 3.8Å; I320-F447 HydrophobicContact CD1-CD1 3.2Å; I320-F447 HydrophobicContact CD1-CD2 3.44Å; I320-F447 VanDerWaalsContact CD1-CD2 3.44Å; I320-F447 HydrophobicContact CD1-CE1 3.47Å; I320-F447 VanDerWaalsContact CD1-CE1 3.47Å; I320-F447 HydrophobicContact CD1-CE2 3.77Å; I320-F447 HydrophobicContact CD1-CG 3.22Å; I320-F447 HydrophobicContact CD1-CZ 3.77Å; I320-F447 HydrophobicContact CG2-CD2 4.45Å; I320-F447 HydrophobicContact CG2-CE2 4.28Å; L325-F447 HydrophobicContact CD2-CD2 4.42Å; L325-F447 HydrophobicContact CD2-CE2 3.91Å; F347-F447 HydrophobicContact CE1-CD1 4.48Å; F347-F447 HydrophobicContact CE1-CE1 4.24Å; I444-F447 HydrophobicContact CB-CD2 4.42Å; I444-F447 HydrophobicContact CG2-CB 4.02Å; I444-F447 HydrophobicContact CG2-CD2 2.93Å; I444-F447 HydrophobicContact CG2-CE2 3.53Å; I444-F447 HydrophobicContact CG2-CG 3.74Å; I444-F447 PolarHBondContact O-N 2.93Å; N445-F447 PolarHBondContact O-N 3.07Å; N445-F447 VanDerWaalsContact O-N 3.16Å; F447-P1178 HydrophobicContact CD2-CB 3.82Å; F447-P1178 HydrophobicContact CD2-CG 4.2Å; F447-P1178 HydrophobicContact CE1-CB 4.17Å; F447-P1178 HydrophobicContact CE2-CB 3.31Å; F447-P1178 HydrophobicContact CE2-CG 3.7Å; F447-P1178 HydrophobicContact CG-CB 4.35Å; F447-P1178 HydrophobicContact CZ-CB 3.55Å; F447-P1178 HydrophobicContact CZ-CG 4.34Å; F447-Y1181 WeakPolarHBondContact CE1-OH 3.44Å; F447-Y1181 WeakPolarHBondContact CZ-OH 3.08Å |
| 448 | I | 73 | Confident | 75.3 | Confident | 3 Ų | 3 | 18.6 Ų | 18.6 | 2% | 0.015 | 10% | 0.098 | C | C | . | . | S | Bend | trans | -88.5 | 119.5 | 170.2 | -64.6 | 176.3 | 0 | 0 | 0 | 106.9 | L437 R442 N445 V452 A455 Q456 | L437-I448 HydrophobicContact CD1-CD1 4Å; R442-I448 HydrophobicContact CB-CD1 4.45Å; R442-I448 HydrophobicContact CG-CD1 4.4Å; N445-I448 PolarHBondContact O-N 2.81Å; N445-I448 WeakPolarHBondContact OD1-CD1 3.38Å; I448-V452 HydrophobicContact CG2-CB 4.33Å; I448-A455 HydrophobicContact CD1-CB 4.28Å; I448-A455 HydrophobicContact CG2-CB 3.59Å; I448-Q456 HydrophobicContact CG2-CG 4.33Å; I448-Q456 VanDerWaalsContact CG2-NE2 3.32Å; I448-Q456 PolarHBondContact O-NE2 2.88Å |
| 449 | S | 76.6 | Confident | 75.9 | Confident | 11 Ų | 11 | 20.4 Ų | 20.4 | 8% | 0.077 | 11% | 0.105 | C | C | . | . | trans | -52.9 | 131.3 | 176.5 | -140.2 | 0 | 0 | 0 | 0 | 109.8 | I349 E451 V452 | I349-S449 WeakPolarHBondContact CD1-OG 3.46Å; S449-E451 VanDerWaalsContact CB-OE2 3.24Å; S449-E451 WeakPolarHBondContact CB-OE2 3.25Å; S449-E451 PolarHBondContact O-N 2.86Å; S449-E451 PolarHBondContact OG-OE2 2.78Å; S449-V452 PolarHBondContact O-N 2.9Å | ||
| 450 | P | 78.8 | Confident | 76.8 | Confident | 17 Ų | 17 | 17.9 Ų | 17.9 | 11% | 0.11 | 9% | 0.094 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -55 | -20.4 | 177.8 | -27.2 | 35.2 | 0 | 0 | 0 | 114.1 | Q560 S562 Y657 | P450-Q560 HydrophobicContact CB-CB 4.23Å; P450-Q560 WeakPolarHBondContact CB-O 3.2Å; P450-Q560 HydrophobicContact CG-CB 3.51Å; P450-Q560 WeakPolarHBondContact CG-O 3.41Å; P450-S562 WeakPolarHBondContact O-CB 2.99Å; P450-S562 PolarHBondContact O-N 2.95Å; P450-S562 PolarHBondContact O-OG 2.88Å; P450-Y657 HydrophobicContact CB-CD1 3.37Å; P450-Y657 HydrophobicContact CB-CE1 3.53Å; P450-Y657 HydrophobicContact CB-CG 4.25Å; P450-Y657 HydrophobicContact CG-CD1 4.11Å; P450-Y657 HydrophobicContact CG-CE1 4.28Å |
| 451 | E | 80.8 | Confident | 78.1 | Confident | 17 Ų | 17 | 16.1 Ų | 16.1 | 8% | 0.079 | 8% | 0.082 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -84 | -16.7 | 179.1 | -55.1 | 82.2 | -179.8 | 0 | 0 | 114 | R355 L362 I369 S449 W453 Y657 | R355-E451 PolarHBondContact NH2-O 3.46Å; L362-E451 HydrophobicContact CD2-CB 3.37Å; L362-E451 WeakPolarHBondContact CD2-O 3.33Å; I369-E451 HydrophobicContact CD1-CB 3.63Å; I369-E451 HydrophobicContact CD1-CG 3.74Å; I369-E451 HydrophobicContact CG2-CG 4.14Å; S449-E451 VanDerWaalsContact CB-OE2 3.24Å; S449-E451 WeakPolarHBondContact CB-OE2 3.25Å; S449-E451 PolarHBondContact O-N 2.86Å; S449-E451 PolarHBondContact OG-OE2 2.78Å; E451-W453 PolarHBondContact O-N 3.07Å; E451-Y657 HydrophobicContact CG-CE1 4.35Å; E451-Y657 VanDerWaalsContact OE1-CZ 3.23Å; E451-Y657 PolarHBondContact OE1-OH 2.96Å |
| 452 | V | 87.8 | Confident | 79.1 | Confident | 0 Ų | 0 | 16 Ų | 16 | 0% | 0 | 8% | 0.081 | C | C | . | . | trans | -81.7 | 85.7 | 174.6 | -173.8 | 0 | 0 | 0 | 0 | 108.6 | L313 Y316 A351 L362 I448 S449 S454 A455 Q456 | L313-V452 HydrophobicContact CD1-CG1 3.95Å; Y316-V452 HydrophobicContact CD2-CG1 4.38Å; Y316-V452 HydrophobicContact CE2-CG2 4.26Å; A351-V452 HydrophobicContact CB-CG1 4.13Å; A351-V452 HydrophobicContact CB-CG2 3.7Å; L362-V452 HydrophobicContact CD1-CG2 4.37Å; L362-V452 HydrophobicContact CD2-CG2 4.35Å; I448-V452 HydrophobicContact CG2-CB 4.33Å; S449-V452 PolarHBondContact O-N 2.9Å; V452-S454 PolarHBondContact O-N 3.04Å; V452-A455 HydrophobicContact CB-CB 4.19Å; V452-A455 HydrophobicContact CG1-CB 3.58Å; V452-A455 PolarHBondContact O-N 2.04Å; V452-Q456 PolarHBondContact O-N 2.58Å | ||
| 453 | W | 90.3 | Very high | 80 | Confident | 38 Ų | 38 | 15.7 Ų | 15.7 | 14% | 0.144 | 8% | 0.079 | C | C | . | . | H | α-helix | trans | -64 | -44 | -169.3 | -65.7 | -0.2 | 0 | 0 | 0 | 112.7 | E353 R355 E451 A455 Q456 L457 S562 V563 R634 Q635 | E353-W453 PolarHBondContact OE2-N 2.81Å; R355-W453 VanDerWaalsContact NH1-CE2 3.34Å; R355-W453 VanDerWaalsContact NH1-CZ2 3.33Å; E451-W453 PolarHBondContact O-N 3.07Å; W453-A455 PolarHBondContact O-N 3.47Å; W453-Q456 PolarHBondContact O-N 3.48Å; W453-Q456 VanDerWaalsContact O-N 3.15Å; W453-L457 WeakPolarHBondContact O-CB 3.29Å; W453-L457 WeakPolarHBondContact O-CG 3.35Å; W453-L457 PolarHBondContact O-N 3.04Å; W453-S562 PolarHBondContact NE1-OG 2.86Å; W453-V563 HydrophobicContact CB-CG1 4.07Å; W453-V563 HydrophobicContact CB-CG2 4.06Å; W453-V563 VanDerWaalsContact CD1-CG1 3.43Å; W453-V563 HydrophobicContact CD2-CG1 3.41Å; W453-V563 VanDerWaalsContact CD2-CG1 3.41Å; W453-V563 HydrophobicContact CE3-CG1 4.06Å; W453-V563 HydrophobicContact CG-CB 4.43Å; W453-V563 HydrophobicContact CG-CG1 3.4Å; W453-V563 HydrophobicContact CG-CG2 4.13Å; W453-V563 HydrophobicContact CZ2-CG1 4.25Å; W453-R634 HydrophobicContact CH2-CB 4.01Å; W453-R634 HydrophobicContact CZ3-CB 4.15Å; W453-R634 HydrophobicContact CZ3-CG 4.3Å; W453-Q635 HydrophobicContact CZ2-CG 3.69Å |
| 454 | S | 91.8 | Very high | 81.5 | Confident | 2 Ų | 2 | 15 Ų | 15 | 1% | 0.014 | 8% | 0.076 | C | C | . | . | H | α-helix | trans | -64.2 | -33.5 | -176.2 | -49.2 | 0 | 0 | 0 | 0 | 111.2 | E353 V452 R458 Q459 | E353-S454 WeakPolarHBondContact OE2-CB 3.29Å; E353-S454 PolarHBondContact OE2-N 2.85Å; E353-S454 PolarHBondContact OE2-OG 3.24Å; V452-S454 PolarHBondContact O-N 3.04Å; S454-R458 PolarHBondContact O-N 2.95Å; S454-R458 VanDerWaalsContact O-N 3.09Å; S454-Q459 WeakPolarHBondContact CB-O 3.08Å; S454-Q459 PolarHBondContact O-N 2.69Å |
| 455 | A | 88.2 | Confident | 83.1 | Confident | 2 Ų | 2 | 14 Ų | 14 | 2% | 0.017 | 7% | 0.071 | C | C | . | . | H | α-helix | trans | -67.3 | -45.3 | 174.7 | 0 | 0 | 0 | 0 | 0 | 112 | L313 L437 R442 I448 V452 W453 R458 | L313-A455 HydrophobicContact CD2-CB 4.24Å; L437-A455 HydrophobicContact CD1-CB 3.88Å; R442-A455 PolarHBondContact NH1-O 3.05Å; I448-A455 HydrophobicContact CD1-CB 4.28Å; I448-A455 HydrophobicContact CG2-CB 3.59Å; V452-A455 HydrophobicContact CB-CB 4.19Å; V452-A455 HydrophobicContact CG1-CB 3.58Å; V452-A455 PolarHBondContact O-N 2.04Å; W453-A455 PolarHBondContact O-N 3.47Å; A455-R458 PolarHBondContact O-N 3.27Å |
| 456 | Q | 86.6 | Confident | 85 | Confident | 6 Ų | 6 | 13 Ų | 13 | 3% | 0.028 | 7% | 0.066 | C | C | . | . | H | α-helix | trans | -66.4 | -36.8 | 178.5 | -67.1 | -64.6 | -21.4 | 0 | 0 | 112.8 | N445 I448 V452 W453 V563 N708 | N445-Q456 PolarHBondContact ND2-OE1 3.43Å; N445-Q456 PolarHBondContact OD1-OE1 3.17Å; I448-Q456 HydrophobicContact CG2-CG 4.33Å; I448-Q456 VanDerWaalsContact CG2-NE2 3.32Å; I448-Q456 PolarHBondContact O-NE2 2.88Å; V452-Q456 PolarHBondContact O-N 2.58Å; W453-Q456 PolarHBondContact O-N 3.48Å; W453-Q456 VanDerWaalsContact O-N 3.15Å; Q456-V563 HydrophobicContact CB-CG2 3.97Å; Q456-N708 WeakPolarHBondContact O-CB 3.35Å |
| 457 | L | 91.4 | Very high | 86.7 | Confident | 5 Ų | 5 | 14.9 Ų | 14.9 | 3% | 0.026 | 7% | 0.07 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -89 | 0.6 | -179.1 | -62.5 | 173.9 | 0 | 0 | 0 | 114 | W453 Q459 V563 E565 N708 | W453-L457 WeakPolarHBondContact O-CB 3.29Å; W453-L457 WeakPolarHBondContact O-CG 3.35Å; W453-L457 PolarHBondContact O-N 3.04Å; L457-Q459 HydrophobicContact CB-CG 3.95Å; L457-Q459 PolarHBondContact O-N 2.95Å; L457-V563 HydrophobicContact CD1-CB 4.31Å; L457-V563 HydrophobicContact CD1-CG2 4.02Å; L457-V563 HydrophobicContact CD2-CB 4.35Å; L457-V563 HydrophobicContact CD2-CG2 4Å; L457-V563 HydrophobicContact CG-CB 4.4Å; L457-V563 HydrophobicContact CG-CG2 3.74Å; L457-E565 HydrophobicContact CD2-CB 3.77Å; L457-N708 CarbonylContact C-O 3.58Å |
| 458 | R | 90.6 | Very high | 88.2 | Confident | 45 Ų | 45 | 13.9 Ų | 13.9 | 17% | 0.17 | 7% | 0.065 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 58.6 | 31.9 | -177 | -54 | 174.8 | -179.7 | -88.1 | 7.6 | 113.7 | E439 S454 A455 D460 N708 | E439-R458 IonicContact OE1-CZ 2.75Å; E439-R458 VanDerWaalsContact OE1-CZ 3.23Å; E439-R458 IonicContact OE1-NH1 3.82Å; E439-R458 PolarHBondContact OE1-NH1 3.1Å; E439-R458 IonicContact OE1-NH2 2.85Å; E439-R458 PolarHBondContact OE1-NH2 3.37Å; E439-R458 IonicContact OE2-CZ 3.74Å; E439-R458 IonicContact OE2-NH1 3.69Å; E439-R458 PolarHBondContact OE2-NH1 2.7Å; S454-R458 PolarHBondContact O-N 2.95Å; S454-R458 VanDerWaalsContact O-N 3.09Å; A455-R458 PolarHBondContact O-N 3.27Å; R458-D460 PolarHBondContact O-N 3.31Å; R458-N708 WeakPolarHBondContact CD-O 3.43Å; R458-N708 WeakPolarHBondContact CG-O 2.91Å |
| 459 | Q | 91.5 | Very high | 89.1 | Confident | 46 Ų | 46 | 15.9 Ų | 15.9 | 22% | 0.215 | 8% | 0.075 | C | C | . | . | trans | -89.8 | 92.3 | 176.3 | -67.2 | 176.2 | -11 | 0 | 0 | 108.5 | G312 L313 S454 L457 | G312-Q459 CarbonylContact C-O 3.55Å; G312-Q459 WeakPolarHBondContact CA-O 3.38Å; L313-Q459 PolarHBondContact N-O 3.14Å; S454-Q459 WeakPolarHBondContact CB-O 3.08Å; S454-Q459 PolarHBondContact O-N 2.69Å; L457-Q459 HydrophobicContact CB-CG 3.95Å; L457-Q459 PolarHBondContact O-N 2.95Å | ||
| 460 | D | 91.9 | Very high | 89.8 | Confident | 7 Ų | 7 | 15.7 Ų | 15.7 | 4% | 0.037 | 7% | 0.074 | C | C | . | . | B | Isolated β-bridge | trans | -84.7 | 151.7 | 174.7 | -73.6 | -26.8 | 0 | 0 | 0 | 111.7 | P284 G285 G435 G436 R442 R458 V462 | P284-D460 HydrophobicContact CB-CB 4.01Å; G285-D460 WeakPolarHBondContact CA-OD2 3.39Å; G285-D460 PolarHBondContact N-OD2 2.99Å; G435-D460 WeakPolarHBondContact O-CB 3.09Å; G436-D460 WeakPolarHBondContact CA-OD1 3.13Å; R442-D460 IonicContact CZ-OD1 3.5Å; R442-D460 IonicContact CZ-OD2 2.97Å; R442-D460 IonicContact NH1-OD1 3.54Å; R442-D460 IonicContact NH2-OD1 2.71Å; R442-D460 PolarHBondContact NH2-OD1 2.97Å; R442-D460 IonicContact NH2-OD2 2.64Å; R442-D460 PolarHBondContact NH2-OD2 3.18Å; R458-D460 PolarHBondContact O-N 3.31Å; D460-V462 PolarHBondContact O-N 2.87Å |
| 461 | F | 93.6 | Very high | 90.3 | Very high | 0 Ų | 0 | 18.5 Ų | 18.5 | 0% | 0 | 9% | 0.088 | C | C | . | . | trans | -66.5 | 128.5 | 179.2 | 175.9 | -103.6 | 0 | 0 | 0 | 110.6 | F281 L305 T307 L313 I314 L354 G435 G463 L465 | F281-F461 HydrophobicContact CB-CD1 4.26Å; F281-F461 VanDerWaalsContact CB-O 3.26Å; F281-F461 WeakPolarHBondContact CB-O 3.2Å; F281-F461 AromaticContact CD2-CD1 3.88Å; F281-F461 HydrophobicContact CD2-CD1 3.88Å; F281-F461 HydrophobicContact CD2-CE1 4.02Å; F281-F461 HydrophobicContact CG-CD1 4.09Å; L305-F461 HydrophobicContact CD1-CD2 4.46Å; L305-F461 HydrophobicContact CD1-CE1 4.03Å; L305-F461 HydrophobicContact CD1-CE2 3.37Å; L305-F461 HydrophobicContact CD1-CZ 3.09Å; L305-F461 HydrophobicContact CG-CZ 4.5Å; T307-F461 HydrophobicContact CG2-CE2 3.94Å; L313-F461 WeakPolarHBondContact O-CB 3.31Å; I314-F461 HydrophobicContact CG1-CD2 4.19Å; L354-F461 HydrophobicContact CD1-CD2 3.79Å; L354-F461 HydrophobicContact CD1-CE2 3.85Å; G435-F461 WeakPolarHBondContact O-CB 3.29Å; G435-F461 PolarHBondContact O-N 2.81Å; F461-G463 VanDerWaalsContact CE1-C 3.5Å; F461-G463 VanDerWaalsContact CZ-CA 3.44Å; F461-L465 HydrophobicContact CD1-CD1 4.48Å; F461-L465 HydrophobicContact CD1-CG 4.44Å; F461-L465 HydrophobicContact CE1-CD1 4.39Å; F461-L465 HydrophobicContact CE1-CD2 4.08Å; F461-L465 HydrophobicContact CE1-CG 3.87Å; F461-L465 HydrophobicContact CZ-CD2 4.35Å | ||
| 462 | V | 91.5 | Very high | 90.6 | Very high | 4 Ų | 4 | 26.3 Ų | 26.3 | 2% | 0.024 | 12% | 0.122 | C | C | . | . | trans | -117.9 | 128 | 167.2 | -172.8 | 0 | 0 | 0 | 0 | 106.7 | F281 P284 T307 T309 D460 W518 I520 | F281-V462 WeakPolarHBondContact O-CA 3.49Å; F281-V462 WeakPolarHBondContact O-CG1 3.25Å; P284-V462 HydrophobicContact CG-CG2 4.03Å; T307-V462 PolarHBondContact OG1-O 2.58Å; T309-V462 HydrophobicContact CG2-CB 3.69Å; T309-V462 HydrophobicContact CG2-CG2 4.44Å; T309-V462 VanDerWaalsContact CG2-O 3.31Å; T309-V462 WeakPolarHBondContact CG2-O 3.35Å; T309-V462 PolarHBondContact OG1-O 2.98Å; D460-V462 PolarHBondContact O-N 2.87Å; V462-W518 HydrophobicContact CG1-CB 4.02Å; V462-I520 HydrophobicContact CG1-CD1 4.1Å | ||
| 463 | G | 92.1 | Very high | 90.5 | Very high | 0 Ų | 0 | 31 Ų | 31 | 0% | 0 | 14% | 0.139 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 151.6 | -173.5 | -169.5 | 0 | 0 | 0 | 0 | 0 | 111.8 | S280 F281 R306 F461 W518 | S280-G463 CarbonylContact C-O 3.58Å; S280-G463 WeakPolarHBondContact CA-O 3.26Å; F281-G463 PolarHBondContact N-O 3.27Å; F281-G463 PolarHBondContact O-N 3.03Å; R306-G463 CarbonylContact O-C 3.54Å; R306-G463 WeakPolarHBondContact O-CA 3.15Å; F461-G463 VanDerWaalsContact CE1-C 3.5Å; F461-G463 VanDerWaalsContact CZ-CA 3.44Å; G463-W518 VanDerWaalsContact CA-CD1 3.49Å |
| 464 | C | 91.4 | Very high | 90.2 | Very high | 0 Ų | 0 | 34.2 Ų | 34.2 | 0% | 0 | 16% | 0.159 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.5 | 142.5 | 175.1 | -54.6 | 0 | 0 | 0 | 0 | 111.9 | F278 V279 S280 L305 R306 C494 W518 | F278-C464 HydrophobicContact CD1-CB 4.21Å; V279-C464 VanDerWaalsContact O-CA 3.26Å; V279-C464 WeakPolarHBondContact O-CA 3.18Å; S280-C464 PolarHBondContact OG-SG 3.27Å; S280-C464 VanDerWaalsContact OG-SG 3.33Å; L305-C464 WeakPolarHBondContact CA-O 3Å; R306-C464 HydrophobicContact CB-CB 4.19Å; R306-C464 PolarHBondContact N-O 3.04Å; R306-C464 PolarHBondContact O-N 3.22Å; C464-C494 HydrophobicContact CB-CB 3.59Å; C464-C494 WeakPolarHBondContact CB-SG 3.15Å; C464-C494 WeakPolarHBondContact SG-CA 3.41Å; C464-C494 WeakPolarHBondContact SG-CB 3.27Å; C464-C494 CovalentContact SG-SG 2.03Å; C464-C494 PolarHBondContact SG-SG 2.83Å; C464-W518 WeakPolarHBondContact SG-CZ2 3.47Å |
| 465 | L | 93.3 | Very high | 89.9 | Confident | 2 Ų | 2 | 34.7 Ų | 34.7 | 1% | 0.01 | 16% | 0.16 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.8 | 143.8 | 164.1 | -62.1 | 177.4 | 0 | 0 | 0 | 108.9 | F278 V279 F281 F303 I304 L305 I314 I434 F461 I477 | F278-L465 CarbonylContact C-O 3.53Å; F278-L465 VanDerWaalsContact CA-O 3.25Å; F278-L465 WeakPolarHBondContact CA-O 3.4Å; V279-L465 PolarHBondContact N-O 2.68Å; V279-L465 PolarHBondContact O-N 2.71Å; F281-L465 HydrophobicContact CD2-CD1 4.43Å; F281-L465 HydrophobicContact CD2-CG 4.46Å; F281-L465 HydrophobicContact CE2-CB 4.27Å; F281-L465 HydrophobicContact CE2-CD1 3.64Å; F281-L465 HydrophobicContact CE2-CG 3.97Å; F281-L465 HydrophobicContact CZ-CD1 4.17Å; F303-L465 HydrophobicContact CD2-CD2 3.8Å; F303-L465 HydrophobicContact CE2-CD2 3.91Å; I304-L465 CarbonylContact O-C 3.5Å; I304-L465 WeakPolarHBondContact O-CA 3.5Å; L305-L465 HydrophobicContact CB-CD2 4.16Å; L305-L465 HydrophobicContact CD1-CD2 3.53Å; L305-L465 HydrophobicContact CG-CD2 4.47Å; I314-L465 HydrophobicContact CG2-CD1 4.42Å; I314-L465 HydrophobicContact CG2-CD2 4.36Å; I434-L465 HydrophobicContact CG2-CD1 3.29Å; F461-L465 HydrophobicContact CD1-CD1 4.48Å; F461-L465 HydrophobicContact CD1-CG 4.44Å; F461-L465 HydrophobicContact CE1-CD1 4.39Å; F461-L465 HydrophobicContact CE1-CD2 4.08Å; F461-L465 HydrophobicContact CE1-CG 3.87Å; F461-L465 HydrophobicContact CZ-CD2 4.35Å; L465-I477 VanDerWaalsContact O-CD1 3.28Å; L465-I477 WeakPolarHBondContact O-CD1 3.42Å |
| 466 | G | 91 | Very high | 89.5 | Confident | 0 Ų | 0 | 36.7 Ų | 36.7 | 0% | 0 | 17% | 0.171 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -149.1 | 166.3 | 176 | 0 | 0 | 0 | 0 | 0 | 112.7 | S277 F278 I304 F468 | S277-G466 WeakPolarHBondContact O-CA 3.4Å; F278-G466 VanDerWaalsContact CD1-CA 3.45Å; I304-G466 PolarHBondContact N-O 3.11Å; I304-G466 PolarHBondContact O-N 2.86Å; G466-F468 VanDerWaalsContact C-N 3.26Å; G466-F468 PolarHBondContact O-N 3.19Å |
| 467 | E | 88.5 | Confident | 89.5 | Confident | 85 Ų | 85 | 36.7 Ų | 36.7 | 40% | 0.397 | 17% | 0.171 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | 50.7 | 44 | 177.2 | -58.4 | -169.2 | 177.2 | 0 | 0 | 113.4 | S277 I304 I469 | S277-E467 PolarHBondContact O-N 2.91Å; S277-E467 WeakPolarHBondContact OG-CG 3.29Å; I304-E467 HydrophobicContact CD1-CB 4.29Å; I304-E467 HydrophobicContact CD1-CG 4.11Å; I304-E467 WeakPolarHBondContact CD1-OE2 3.35Å; I304-E467 HydrophobicContact CG1-CB 4.37Å; E467-I469 PolarHBondContact O-N 2.89Å |
| 468 | F | 92.1 | Very high | 88.9 | Confident | 2 Ų | 2 | 36.5 Ų | 36.5 | 1% | 0.009 | 17% | 0.17 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -74 | 110.7 | -175.4 | -156.1 | -85.8 | 0 | 0 | 0 | 111 | I290 I301 T302 F303 I315 I434 G466 V470 W475 I477 | I290-F468 HydrophobicContact CD1-CD1 4.1Å; I290-F468 HydrophobicContact CD1-CE1 4.41Å; I301-F468 HydrophobicContact CG2-CE1 4.13Å; I301-F468 HydrophobicContact CG2-CE2 4.45Å; I301-F468 HydrophobicContact CG2-CZ 3.87Å; T302-F468 CarbonylContact O-C 3.41Å; F303-F468 HydrophobicContact CB-CB 4.47Å; F303-F468 HydrophobicContact CB-CD2 3.56Å; F303-F468 HydrophobicContact CB-CE2 4.1Å; F303-F468 HydrophobicContact CB-CG 4.27Å; F303-F468 HydrophobicContact CD1-CD2 4.28Å; F303-F468 AromaticContact CD1-CE2 3.94Å; F303-F468 HydrophobicContact CD1-CE2 3.94Å; F303-F468 AromaticContact CG-CD2 3.98Å; F303-F468 HydrophobicContact CG-CD2 3.98Å; F303-F468 HydrophobicContact CG-CE2 4.03Å; I315-F468 HydrophobicContact CD1-CE2 4.06Å; I315-F468 HydrophobicContact CD1-CZ 3.87Å; I434-F468 HydrophobicContact CD1-CD1 4.12Å; I434-F468 HydrophobicContact CD1-CD2 4.28Å; I434-F468 HydrophobicContact CD1-CE1 3.55Å; I434-F468 HydrophobicContact CD1-CE2 3.75Å; I434-F468 HydrophobicContact CD1-CG 4.45Å; I434-F468 HydrophobicContact CD1-CZ 3.35Å; I434-F468 HydrophobicContact CG1-CE2 4.33Å; I434-F468 HydrophobicContact CG1-CZ 4Å; I434-F468 HydrophobicContact CG2-CE2 4.35Å; G466-F468 VanDerWaalsContact C-N 3.26Å; G466-F468 PolarHBondContact O-N 3.19Å; F468-V470 HydrophobicContact CD1-CG2 4Å; F468-V470 HydrophobicContact CE1-CG2 3.61Å; F468-W475 PolarHBondContact O-N 3.47Å; F468-I477 HydrophobicContact CB-CG2 3.64Å; F468-I477 HydrophobicContact CG-CG2 4.36Å |
| 469 | I | 91.9 | Very high | 88.3 | Confident | 44 Ų | 44 | 34.5 Ų | 34.5 | 23% | 0.226 | 16% | 0.163 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.9 | 130 | -176.6 | -62.5 | 163.5 | 0 | 0 | 0 | 108.6 | I301 T302 E467 R473 L474 | I301-I469 CarbonylContact C-O 3.58Å; I301-I469 VanDerWaalsContact CA-O 3.29Å; I301-I469 WeakPolarHBondContact CA-O 3.23Å; T302-I469 PolarHBondContact N-O 2.78Å; T302-I469 PolarHBondContact O-N 2.65Å; E467-I469 PolarHBondContact O-N 2.89Å; I469-R473 CarbonylContact C-O 3.58Å; I469-R473 VanDerWaalsContact CA-O 3.28Å; I469-R473 WeakPolarHBondContact CA-O 3.16Å; I469-L474 HydrophobicContact CG1-CB 4.27Å; I469-L474 HydrophobicContact CG1-CD1 3.8Å |
| 470 | V | 91.4 | Very high | 87.9 | Confident | 7 Ų | 7 | 33 Ų | 33 | 4% | 0.042 | 16% | 0.155 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.6 | 122.7 | 171.9 | -179.5 | 0 | 0 | 0 | 0 | 108.2 | E300 F432 F468 K472 R473 | E300-V470 CarbonylContact O-C 3.53Å; E300-V470 WeakPolarHBondContact O-CA 3.31Å; F432-V470 HydrophobicContact CD2-CG2 4.44Å; F432-V470 HydrophobicContact CE2-CG1 4.15Å; F432-V470 HydrophobicContact CE2-CG2 4.47Å; F468-V470 HydrophobicContact CD1-CG2 4Å; F468-V470 HydrophobicContact CE1-CG2 3.61Å; V470-K472 VanDerWaalsContact C-N 3.28Å; V470-K472 PolarHBondContact O-N 3.46Å; V470-R473 PolarHBondContact N-O 3.05Å; V470-R473 VanDerWaalsContact O-CB 3.28Å; V470-R473 WeakPolarHBondContact O-CB 3.29Å; V470-R473 PolarHBondContact O-N 3.34Å |
| 471 | N | 89.8 | Confident | 87.4 | Confident | 76 Ų | 76 | 34.2 Ų | 34.2 | 41% | 0.406 | 16% | 0.16 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 48.1 | 48 | -177.8 | -63.1 | -16.2 | 0 | 0 | 0 | 112.6 | W293 G299 E300 R473 | W293-N471 PolarHBondContact NE1-ND2 3.35Å; W293-N471 PolarHBondContact NE1-OD1 2.85Å; G299-N471 WeakPolarHBondContact CA-OD1 3.17Å; E300-N471 PolarHBondContact N-OD1 3.08Å; E300-N471 PolarHBondContact O-N 3.45Å; E300-N471 PolarHBondContact O-OD1 3.35Å; N471-R473 PolarHBondContact O-N 2.99Å |
| 472 | K | 86.2 | Confident | 86.5 | Confident | 181 Ų | 181 | 35.4 Ų | 35.4 | 79% | 0.787 | 16% | 0.164 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 66.9 | 5.2 | -177.5 | -51.6 | 173.3 | -178.7 | 174.1 | 0 | 115.6 | V470 | V470-K472 VanDerWaalsContact C-N 3.28Å; V470-K472 PolarHBondContact O-N 3.46Å |
| 473 | R | 85.5 | Confident | 85.4 | Confident | 98 Ų | 98 | 36.7 Ų | 36.7 | 37% | 0.37 | 17% | 0.173 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -94.3 | 115.6 | 172.5 | -179.9 | -177.7 | 166.5 | 152.2 | 6.1 | 109.9 | D145 I469 V470 N471 W475 | D145-R473 VanDerWaalsContact CG-NH2 3.3Å; D145-R473 IonicContact OD2-CZ 3.4Å; D145-R473 VanDerWaalsContact OD2-CZ 3.22Å; D145-R473 IonicContact OD2-NH1 3.29Å; D145-R473 PolarHBondContact OD2-NH1 3.45Å; D145-R473 IonicContact OD2-NH2 2.73Å; D145-R473 PolarHBondContact OD2-NH2 2.72Å; I469-R473 CarbonylContact C-O 3.58Å; I469-R473 VanDerWaalsContact CA-O 3.28Å; I469-R473 WeakPolarHBondContact CA-O 3.16Å; V470-R473 PolarHBondContact N-O 3.05Å; V470-R473 VanDerWaalsContact O-CB 3.28Å; V470-R473 WeakPolarHBondContact O-CB 3.29Å; V470-R473 PolarHBondContact O-N 3.34Å; N471-R473 PolarHBondContact O-N 2.99Å; R473-W475 PolarHBondContact O-N 3.06Å |
| 474 | L | 83.8 | Confident | 84.1 | Confident | 107 Ų | 107 | 41.7 Ų | 41.7 | 56% | 0.56 | 21% | 0.206 | S | C | * | . | E | Extended strand (participates in β ladder) | trans | -71.9 | 120.1 | 170.8 | 179.8 | 65.8 | 0 | 0 | 0 | 109.8 | I469 | I469-L474 HydrophobicContact CG1-CB 4.27Å; I469-L474 HydrophobicContact CG1-CD1 3.8Å |
| 475 | W | 85.7 | Confident | 82.8 | Confident | 11 Ų | 11 | 46.6 Ų | 46.6 | 4% | 0.042 | 23% | 0.225 | C | C | . | . | trans | -88 | 134.9 | 174.6 | -75.4 | 96.5 | 0 | 0 | 0 | 110.9 | D145 Y146 I290 K291 F468 R473 I477 | D145-W475 HydrophobicContact CB-CH2 4.23Å; D145-W475 HydrophobicContact CB-CZ3 4.01Å; Y146-W475 AromaticContact CE1-CE3 3.86Å; Y146-W475 HydrophobicContact CE1-CE3 3.86Å; Y146-W475 HydrophobicContact CE1-CZ3 4.17Å; I290-W475 HydrophobicContact CD1-CB 4.14Å; I290-W475 HydrophobicContact CD1-CG 4.4Å; I290-W475 HydrophobicContact CG2-CB 4.33Å; I290-W475 HydrophobicContact CG2-CD2 3.23Å; I290-W475 HydrophobicContact CG2-CE3 3.62Å; I290-W475 HydrophobicContact CG2-CG 3.55Å; I290-W475 HydrophobicContact CG2-CH2 4.17Å; I290-W475 HydrophobicContact CG2-CZ2 3.83Å; I290-W475 HydrophobicContact CG2-CZ3 4.06Å; K291-W475 HydrophobicContact CB-CH2 3.71Å; K291-W475 HydrophobicContact CB-CZ2 3.8Å; K291-W475 HydrophobicContact CD-CH2 4.34Å; K291-W475 HydrophobicContact CG-CH2 4.14Å; K291-W475 VanDerWaalsContact O-CZ2 3.26Å; K291-W475 WeakPolarHBondContact O-CZ2 3.45Å; F468-W475 PolarHBondContact O-N 3.47Å; R473-W475 PolarHBondContact O-N 3.06Å; W475-I477 VanDerWaalsContact C-N 3.31Å; W475-I477 HydrophobicContact CB-CG2 4.47Å; W475-I477 PolarHBondContact O-N 2.79Å | ||
| 476 | D | 80.6 | Confident | 81.8 | Confident | 45 Ų | 45 | 46.5 Ų | 46.5 | 24% | 0.241 | 22% | 0.224 | C | C | . | . | trans | -83 | 81.9 | 174.9 | -168.7 | -29.6 | 0 | 0 | 0 | 109.2 | R80 Y146 D478 L479 E480 | R80-D476 IonicContact CZ-OD1 3.31Å; R80-D476 IonicContact CZ-OD2 3.88Å; R80-D476 IonicContact NH1-OD1 2.88Å; R80-D476 IonicContact NH1-OD2 3.72Å; R80-D476 PolarHBondContact NH1-OD2 2.96Å; R80-D476 IonicContact NH2-OD1 3.57Å; R80-D476 PolarHBondContact NH2-OD1 3.39Å; R80-D476 IonicContact NH2-OD2 3.74Å; R80-D476 PolarHBondContact NH2-OD2 3.47Å; Y146-D476 HydrophobicContact CE1-CB 4.1Å; Y146-D476 HydrophobicContact CE2-CB 4.5Å; Y146-D476 VanDerWaalsContact OH-CB 3.28Å; Y146-D476 WeakPolarHBondContact OH-CB 3.12Å; Y146-D476 PolarHBondContact OH-N 2.84Å; D476-D478 PolarHBondContact O-N 3.27Å; D476-D478 VanDerWaalsContact O-N 3.11Å; D476-D478 WeakPolarHBondContact OD1-CB 3.43Å; D476-D478 PolarHBondContact OD1-N 3.21Å; D476-L479 HydrophobicContact CB-CB 4.43Å; D476-L479 HydrophobicContact CB-CD1 3.97Å; D476-L479 HydrophobicContact CB-CG 4.19Å; D476-L479 WeakPolarHBondContact O-CB 3.32Å; D476-L479 PolarHBondContact O-N 2.86Å; D476-L479 PolarHBondContact OD1-N 2.89Å; D476-E480 PolarHBondContact O-N 2.85Å | ||
| 477 | I | 84.9 | Confident | 80.5 | Confident | 5 Ų | 5 | 50.2 Ų | 50.2 | 3% | 0.026 | 24% | 0.241 | C | C | . | . | H | α-helix | trans | -62.8 | -17.8 | -177.9 | 59.3 | 173.6 | 0 | 0 | 0 | 113.1 | S277 V279 L288 I290 L465 F468 W475 L479 E480 R481 | S277-I477 WeakPolarHBondContact O-CD1 3.22Å; S277-I477 WeakPolarHBondContact O-CG1 3.34Å; V279-I477 HydrophobicContact CB-CD1 4.36Å; V279-I477 HydrophobicContact CG1-CB 4.3Å; V279-I477 HydrophobicContact CG1-CD1 4.16Å; V279-I477 HydrophobicContact CG1-CG1 3.93Å; V279-I477 HydrophobicContact CG2-CB 4.38Å; V279-I477 HydrophobicContact CG2-CD1 3.65Å; V279-I477 HydrophobicContact CG2-CG1 4.21Å; L288-I477 HydrophobicContact CD1-CB 4.34Å; I290-I477 HydrophobicContact CD1-CG2 3.89Å; L465-I477 VanDerWaalsContact O-CD1 3.28Å; L465-I477 WeakPolarHBondContact O-CD1 3.42Å; F468-I477 HydrophobicContact CB-CG2 3.64Å; F468-I477 HydrophobicContact CG-CG2 4.36Å; W475-I477 VanDerWaalsContact C-N 3.31Å; W475-I477 HydrophobicContact CB-CG2 4.47Å; W475-I477 PolarHBondContact O-N 2.79Å; I477-L479 VanDerWaalsContact C-N 3.33Å; I477-E480 PolarHBondContact O-N 3.49Å; I477-R481 PolarHBondContact O-N 2.85Å |
| 478 | D | 80.1 | Confident | 79.6 | Confident | 2 Ų | 2 | 50.5 Ų | 50.5 | 1% | 0.011 | 25% | 0.249 | C | C | . | . | H | α-helix | trans | -68.4 | -30.7 | 170 | 175.6 | 65.2 | 0 | 0 | 0 | 112.5 | R80 D476 R481 R482 Y492 | R80-D478 IonicContact CZ-OD2 3.96Å; R80-D478 IonicContact NE-OD2 3.42Å; R80-D478 IonicContact NH2-OD2 3.64Å; R80-D478 PolarHBondContact NH2-OD2 2.93Å; D476-D478 PolarHBondContact O-N 3.27Å; D476-D478 VanDerWaalsContact O-N 3.11Å; D476-D478 WeakPolarHBondContact OD1-CB 3.43Å; D476-D478 PolarHBondContact OD1-N 3.21Å; D478-R481 WeakPolarHBondContact O-CG 3.03Å; D478-R481 IonicContact OD1-CZ 2.73Å; D478-R481 IonicContact OD1-NE 3.12Å; D478-R481 PolarHBondContact OD1-NE 2.9Å; D478-R481 IonicContact OD1-NH2 3.77Å; D478-R481 PolarHBondContact OD1-NH2 2.86Å; D478-R482 WeakPolarHBondContact O-CG 3.28Å; D478-R482 PolarHBondContact O-NE 2.86Å; D478-R482 IonicContact OD2-CZ 3.01Å; D478-R482 IonicContact OD2-NE 2.8Å; D478-R482 IonicContact OD2-NH2 2.87Å; D478-R482 PolarHBondContact OD2-NH2 3.25Å; D478-Y492 HydrophobicContact CB-CD2 4Å; D478-Y492 HydrophobicContact CB-CE2 4.03Å; D478-Y492 WeakPolarHBondContact OD1-CD2 3.36Å |
| 479 | L | 78.6 | Confident | 79.1 | Confident | 2 Ų | 2 | 53.6 Ų | 53.6 | 1% | 0.01 | 26% | 0.263 | C | S | . | . | H | α-helix | trans | -74.9 | -40.9 | 171.2 | -68.7 | 174.9 | 0 | 0 | 0 | 111.7 | R80 Y146 T148 A150 D151 D476 I477 R481 R482 | R80-L479 VanDerWaalsContact CZ-CD2 3.5Å; R80-L479 VanDerWaalsContact NH1-CD1 3.29Å; Y146-L479 HydrophobicContact CD1-CB 3.46Å; Y146-L479 VanDerWaalsContact CD1-CB 3.46Å; Y146-L479 HydrophobicContact CD1-CD1 4.04Å; Y146-L479 HydrophobicContact CD1-CG 4.41Å; Y146-L479 HydrophobicContact CD2-CB 4.34Å; Y146-L479 HydrophobicContact CD2-CD1 3.42Å; Y146-L479 VanDerWaalsContact CD2-CD1 3.42Å; Y146-L479 HydrophobicContact CE1-CB 3.87Å; Y146-L479 HydrophobicContact CE1-CD1 4.14Å; Y146-L479 HydrophobicContact CE2-CD1 3.53Å; Y146-L479 HydrophobicContact CG-CB 3.73Å; Y146-L479 HydrophobicContact CG-CD1 3.69Å; Y146-L479 HydrophobicContact CG-CG 4.35Å; T148-L479 HydrophobicContact CG2-CD2 4.47Å; A150-L479 VanDerWaalsContact O-CD2 3.29Å; A150-L479 WeakPolarHBondContact O-CD2 3.08Å; D151-L479 VanDerWaalsContact CA-CD1 3.45Å; D151-L479 HydrophobicContact CB-CD1 3.68Å; D151-L479 HydrophobicContact CB-CD2 4.48Å; D476-L479 HydrophobicContact CB-CB 4.43Å; D476-L479 HydrophobicContact CB-CD1 3.97Å; D476-L479 HydrophobicContact CB-CG 4.19Å; D476-L479 WeakPolarHBondContact O-CB 3.32Å; D476-L479 PolarHBondContact O-N 2.86Å; D476-L479 PolarHBondContact OD1-N 2.89Å; I477-L479 VanDerWaalsContact C-N 3.33Å; L479-R481 PolarHBondContact O-N 3.11Å; L479-R482 VanDerWaalsContact O-CB 3.32Å; L479-R482 WeakPolarHBondContact O-CB 3.27Å; L479-R482 WeakPolarHBondContact O-CG 3.26Å; L479-R482 PolarHBondContact O-N 2.85Å |
| 480 | E | 81.1 | Confident | 78.8 | Confident | 14 Ų | 14 | 51.7 Ų | 51.7 | 7% | 0.065 | 25% | 0.253 | C | S | . | . | H | α-helix | trans | -62.3 | -25.6 | -179.6 | -63.9 | -67.6 | 174.8 | 0 | 0 | 113 | Y146 L288 I290 D476 I477 R482 P483 | Y146-E480 HydrophobicContact CD1-CG 3.93Å; Y146-E480 WeakPolarHBondContact CD1-OE1 3.17Å; Y146-E480 HydrophobicContact CE1-CG 3.86Å; Y146-E480 VanDerWaalsContact CE1-OE1 3.23Å; Y146-E480 WeakPolarHBondContact CE1-OE1 3.43Å; L288-E480 HydrophobicContact CB-CB 4.47Å; L288-E480 HydrophobicContact CD1-CB 4.42Å; L288-E480 HydrophobicContact CD2-CB 4.42Å; I290-E480 HydrophobicContact CD1-CG 4.04Å; I290-E480 HydrophobicContact CG1-CB 4.47Å; I290-E480 HydrophobicContact CG1-CG 3.86Å; D476-E480 PolarHBondContact O-N 2.85Å; I477-E480 PolarHBondContact O-N 3.49Å; E480-R482 VanDerWaalsContact C-N 3.33Å; E480-P483 WeakPolarHBondContact O-CD 3.42Å |
| 481 | R | 82.1 | Confident | 78.4 | Confident | 33 Ų | 33 | 56.3 Ų | 56.3 | 13% | 0.125 | 28% | 0.275 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -85.7 | 8 | 175.6 | 69.8 | 152.6 | -169.1 | 85.9 | 5.1 | 115.3 | V279 L288 I477 D478 L479 S486 V490 | V279-R481 HydrophobicContact CG1-CB 4.49Å; V279-R481 HydrophobicContact CG1-CG 4.16Å; L288-R481 HydrophobicContact CD2-CB 3.78Å; I477-R481 PolarHBondContact O-N 2.85Å; D478-R481 WeakPolarHBondContact O-CG 3.03Å; D478-R481 IonicContact OD1-CZ 2.73Å; D478-R481 IonicContact OD1-NE 3.12Å; D478-R481 PolarHBondContact OD1-NE 2.9Å; D478-R481 IonicContact OD1-NH2 3.77Å; D478-R481 PolarHBondContact OD1-NH2 2.86Å; L479-R481 PolarHBondContact O-N 3.11Å; R481-S486 VanDerWaalsContact CA-OG 3.31Å; R481-S486 WeakPolarHBondContact CA-OG 3.01Å; R481-S486 PolarHBondContact O-OG 2.77Å; R481-V490 HydrophobicContact CB-CB 4.05Å; R481-V490 HydrophobicContact CB-CG1 3.73Å |
| 482 | R | 74.5 | Confident | 78 | Confident | 26 Ų | 26 | 55.6 Ų | 55.6 | 10% | 0.098 | 27% | 0.267 | C | S | . | . | trans | -88.1 | -30.7 | -178.3 | -62.8 | 178.8 | 177.7 | -155.5 | -2.3 | 115.1 | R80 E82 A150 D478 L479 E480 | R80-R482 PolarHBondContact O-NH1 3.1Å; E82-R482 WeakPolarHBondContact OE1-CD 3.45Å; E82-R482 WeakPolarHBondContact OE1-CG 3.42Å; E82-R482 IonicContact OE1-CZ 2.9Å; E82-R482 IonicContact OE1-NE 3.06Å; E82-R482 PolarHBondContact OE1-NE 2.85Å; E82-R482 IonicContact OE1-NH1 3.64Å; A150-R482 PolarHBondContact O-NH1 3.28Å; D478-R482 WeakPolarHBondContact O-CG 3.28Å; D478-R482 PolarHBondContact O-NE 2.86Å; D478-R482 IonicContact OD2-CZ 3.01Å; D478-R482 IonicContact OD2-NE 2.8Å; D478-R482 IonicContact OD2-NH2 2.87Å; D478-R482 PolarHBondContact OD2-NH2 3.25Å; L479-R482 VanDerWaalsContact O-CB 3.32Å; L479-R482 WeakPolarHBondContact O-CB 3.27Å; L479-R482 WeakPolarHBondContact O-CG 3.26Å; L479-R482 PolarHBondContact O-N 2.85Å; E480-R482 VanDerWaalsContact C-N 3.33Å | ||
| 483 | P | 68.2 | Low | 77.8 | Confident | 31 Ų | 31 | 47.2 Ų | 47.2 | 20% | 0.201 | 23% | 0.232 | C | C | . | . | S | Bend | trans | -57.3 | 151.5 | 175.3 | -25.6 | 35.5 | 0 | 0 | 0 | 113 | E480 W485 S486 | E480-P483 WeakPolarHBondContact O-CD 3.42Å; P483-W485 HydrophobicContact CB-CD2 3.62Å; P483-W485 HydrophobicContact CB-CE3 3.78Å; P483-W485 HydrophobicContact CB-CG 4.44Å; P483-W485 HydrophobicContact CB-CH2 3.42Å; P483-W485 VanDerWaalsContact CB-CH2 3.42Å; P483-W485 HydrophobicContact CB-CZ2 3.24Å; P483-W485 HydrophobicContact CB-CZ3 3.68Å; P483-W485 HydrophobicContact CG-CH2 3.88Å; P483-W485 HydrophobicContact CG-CZ2 3.49Å; P483-W485 VanDerWaalsContact CG-CZ2 3.49Å; P483-W485 PolarHBondContact O-N 3.15Å; P483-W485 VanDerWaalsContact O-N 3.09Å; P483-S486 PolarHBondContact O-N 3.36Å; P483-S486 VanDerWaalsContact O-N 3.08Å; P483-S486 PolarHBondContact O-OG 2.79Å |
| 484 | C | 65.4 | Low | 77.7 | Confident | 104 Ų | 104 | 43.3 Ų | 43.3 | 70% | 0.703 | 22% | 0.219 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -56.4 | -30.3 | -172.9 | -63.9 | 0 | 0 | 0 | 0 | 114.6 | S486 | C484-S486 VanDerWaalsContact C-N 3.3Å; C484-S486 PolarHBondContact O-N 2.7Å |
| 485 | W | 64.9 | Low | 77.3 | Confident | 104 Ų | 104 | 47 Ų | 47 | 39% | 0.394 | 23% | 0.225 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -68.9 | -27.4 | -179.5 | 54.1 | 83.1 | 0 | 0 | 0 | 113.5 | Y287 P483 | Y287-W485 HydrophobicContact CE1-CB 4.31Å; Y287-W485 AromaticContact CE2-CD1 3.79Å; Y287-W485 HydrophobicContact CE2-CG 4.42Å; Y287-W485 AromaticContact CZ-CD1 3.71Å; Y287-W485 AromaticContact CZ-CG 3.97Å; P483-W485 HydrophobicContact CB-CD2 3.62Å; P483-W485 HydrophobicContact CB-CE3 3.78Å; P483-W485 HydrophobicContact CB-CG 4.44Å; P483-W485 HydrophobicContact CB-CH2 3.42Å; P483-W485 VanDerWaalsContact CB-CH2 3.42Å; P483-W485 HydrophobicContact CB-CZ2 3.24Å; P483-W485 HydrophobicContact CB-CZ3 3.68Å; P483-W485 HydrophobicContact CG-CH2 3.88Å; P483-W485 HydrophobicContact CG-CZ2 3.49Å; P483-W485 VanDerWaalsContact CG-CZ2 3.49Å; P483-W485 PolarHBondContact O-N 3.15Å; P483-W485 VanDerWaalsContact O-N 3.09Å |
| 486 | S | 71.8 | Confident | 76.5 | Confident | 0 Ų | 0 | 48.8 Ų | 48.8 | 0% | 0 | 24% | 0.236 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -86.1 | -27.8 | 179.8 | 63.9 | 0 | 0 | 0 | 0 | 112.9 | R481 P483 C484 F489 V490 | R481-S486 VanDerWaalsContact CA-OG 3.31Å; R481-S486 WeakPolarHBondContact CA-OG 3.01Å; R481-S486 PolarHBondContact O-OG 2.77Å; P483-S486 PolarHBondContact O-N 3.36Å; P483-S486 VanDerWaalsContact O-N 3.08Å; P483-S486 PolarHBondContact O-OG 2.79Å; C484-S486 VanDerWaalsContact C-N 3.3Å; C484-S486 PolarHBondContact O-N 2.7Å; S486-F489 CarbonylContact O-C 3.45Å; S486-F489 PolarHBondContact O-N 2.81Å; S486-V490 PolarHBondContact O-N 2.8Å |
| 487 | K | 64 | Low | 75.8 | Confident | 78 Ų | 78 | 48.3 Ų | 48.3 | 34% | 0.339 | 24% | 0.236 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -87.2 | 129.8 | 175.3 | -73.8 | 175.9 | 178.8 | 160.6 | 0 | 109.6 | E82 | E82-K487 IonicContact OE1-NZ 2.65Å; E82-K487 PolarHBondContact OE1-NZ 3.26Å; E82-K487 IonicContact OE2-NZ 2.8Å; E82-K487 PolarHBondContact OE2-NZ 2.93Å |
| 488 | P | 68.5 | Low | 74.8 | Confident | 90 Ų | 90 | 54.6 Ų | 54.6 | 58% | 0.584 | 28% | 0.277 | S | S | * | . | T | Hydrogen-bonded Turn | cis | -100.5 | 16.7 | 13.7 | 38.7 | -36.7 | 0 | 0 | 0 | 115 | I282 | I282-P488 WeakPolarHBondContact CD1-O 3.31Š|
| 489 | F | 81.5 | Confident | 74 | Confident | 68 Ų | 68 | 56.7 Ų | 56.7 | 30% | 0.298 | 29% | 0.292 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -94.5 | -12.9 | -166.6 | -51.4 | -75.2 | 0 | 0 | 0 | 115.5 | I282 K283 S486 | I282-F489 WeakPolarHBondContact CG1-O 3.17Å; I282-F489 PolarHBondContact N-O 2.95Å; K283-F489 HydrophobicContact CB-CD1 3.96Å; K283-F489 HydrophobicContact CD-CD1 4.14Å; K283-F489 HydrophobicContact CD-CE1 4.31Å; S486-F489 CarbonylContact O-C 3.45Å; S486-F489 PolarHBondContact O-N 2.81Å |
| 490 | V | 86.1 | Confident | 73.5 | Confident | 3 Ų | 3 | 62.2 Ų | 62.2 | 2% | 0.018 | 32% | 0.32 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.8 | 116.4 | 172.8 | -171.4 | 0 | 0 | 0 | 0 | 109.6 | V279 S280 F281 L288 R481 S486 | V279-V490 HydrophobicContact CB-CG1 3.79Å; V279-V490 HydrophobicContact CG1-CG1 4.46Å; V279-V490 HydrophobicContact CG2-CG1 4.08Å; S280-V490 CarbonylContact O-C 3.53Å; S280-V490 WeakPolarHBondContact O-CA 3.43Å; F281-V490 HydrophobicContact CD1-CG2 3.79Å; F281-V490 HydrophobicContact CE1-CG2 3.87Å; F281-V490 HydrophobicContact CG-CG2 4.46Å; L288-V490 HydrophobicContact CD2-CB 4.46Å; L288-V490 HydrophobicContact CD2-CG1 4.21Å; L288-V490 HydrophobicContact CD2-CG2 4.21Å; R481-V490 HydrophobicContact CB-CB 4.05Å; R481-V490 HydrophobicContact CB-CG1 3.73Å; S486-V490 PolarHBondContact O-N 2.8Å |
| 491 | E | 84.2 | Confident | 73.2 | Confident | 105 Ų | 105 | 65.3 Ų | 65.3 | 49% | 0.491 | 34% | 0.337 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.4 | 159.5 | -178.7 | -65.2 | -169.7 | 164.9 | 0 | 0 | 112 | V279 S280 I282 | V279-E491 CarbonylContact C-O 3.47Å; V279-E491 VanDerWaalsContact CA-O 3.28Å; V279-E491 WeakPolarHBondContact CA-O 3.33Å; S280-E491 PolarHBondContact N-O 3.22Å; S280-E491 PolarHBondContact O-N 3.04Å; I282-E491 HydrophobicContact CD1-CG 4.26Å; I282-E491 HydrophobicContact CG1-CG 4.46Å; I282-E491 HydrophobicContact CG2-CB 4.32Å; I282-E491 HydrophobicContact CG2-CG 4Å |
| 492 | Y | 80.8 | Confident | 73.1 | Confident | 60 Ų | 60 | 65.8 Ų | 65.8 | 24% | 0.235 | 34% | 0.34 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -78.3 | 140.3 | 176.4 | 178.4 | -106.9 | 0 | 0 | 0 | 112.2 | N276 D478 | N276-Y492 VanDerWaalsContact CA-OH 3.28Å; N276-Y492 WeakPolarHBondContact CA-OH 3.45Å; N276-Y492 VanDerWaalsContact CG-OH 3.28Å; N276-Y492 PolarHBondContact OD1-OH 3.44Å; D478-Y492 HydrophobicContact CB-CD2 4Å; D478-Y492 HydrophobicContact CB-CE2 4.03Å; D478-Y492 WeakPolarHBondContact OD1-CD2 3.36Å |
| 493 | G | 81.8 | Confident | 73.8 | Confident | 5 Ų | 5 | 65.6 Ų | 65.6 | 5% | 0.052 | 34% | 0.343 | C | S | . | . | S | Bend | trans | 83.7 | 176 | 176.2 | 0 | 0 | 0 | 0 | 0 | 112.8 | F278 V279 S280 | F278-G493 VanDerWaalsContact O-CA 3.31Å; F278-G493 WeakPolarHBondContact O-CA 3.28Å; F278-G493 PolarHBondContact O-N 3.21Å; V279-G493 CarbonylContact C-O 3.54Å; S280-G493 PolarHBondContact N-O 3.31Å; S280-G493 PolarHBondContact OG-O 2.76Å |
| 494 | C | 84.1 | Confident | 74.7 | Confident | 16 Ų | 16 | 68.8 Ų | 68.8 | 11% | 0.108 | 36% | 0.362 | C | S | . | . | trans | -129.1 | 96.3 | 172.9 | -173.3 | 0 | 0 | 0 | 0 | 109.3 | F278 C464 | F278-C494 HydrophobicContact CB-CB 3.73Å; F278-C494 HydrophobicContact CD1-CB 3.92Å; F278-C494 HydrophobicContact CG-CB 3.92Å; C464-C494 HydrophobicContact CB-CB 3.59Å; C464-C494 WeakPolarHBondContact CB-SG 3.15Å; C464-C494 WeakPolarHBondContact SG-CA 3.41Å; C464-C494 WeakPolarHBondContact SG-CB 3.27Å; C464-C494 CovalentContact SG-SG 2.03Å; C464-C494 PolarHBondContact SG-SG 2.83Å | ||
| 495 | R | 74.6 | Confident | 75.6 | Confident | 184 Ų | 184 | 70.7 Ų | 70.7 | 69% | 0.694 | 37% | 0.365 | S | S | * | . | trans | -109.3 | 111.2 | 174.4 | -69.3 | -179.1 | 175.9 | 178.3 | -2.3 | 107.9 | N519 | R495-N519 PolarHBondContact O-ND2 2.85Š| ||
| 496 | L | 68.1 | Low | 76.8 | Confident | 50 Ų | 50 | 73.4 Ų | 73.4 | 26% | 0.262 | 38% | 0.38 | S | S | . | . | trans | -75.2 | 127 | 165.4 | -175.4 | 76.1 | 0 | 0 | 0 | 107.7 | R306 I500 W518 | R306-L496 VanDerWaalsContact CZ-CB 3.5Å; R306-L496 VanDerWaalsContact NH2-CB 3.31Å; L496-I500 HydrophobicContact CD2-CG1 4.31Å; L496-W518 HydrophobicContact CB-CH2 3.93Å; L496-W518 HydrophobicContact CB-CZ2 4.36Å; L496-W518 HydrophobicContact CD1-CD2 4.49Å; L496-W518 HydrophobicContact CD1-CE3 3.9Å; L496-W518 HydrophobicContact CD1-CH2 3.36Å; L496-W518 HydrophobicContact CD1-CZ2 4.02Å; L496-W518 HydrophobicContact CD1-CZ3 3.33Å; L496-W518 HydrophobicContact CG-CH2 4.2Å; L496-W518 HydrophobicContact CG-CZ3 4.5Å | ||
| 497 | S | 67.1 | Low | 77.8 | Confident | 35 Ų | 35 | 74.3 Ų | 74.3 | 25% | 0.245 | 39% | 0.386 | C | S | . | . | trans | -58 | 143.1 | 169.5 | -174.3 | 0 | 0 | 0 | 0 | 110.3 | S499 N519 | S497-S499 PolarHBondContact O-N 2.94Å; S497-S499 VanDerWaalsContact O-N 3.1Å; S497-S499 PolarHBondContact OG-OG 2.7Å; S497-N519 WeakPolarHBondContact CB-OD1 3.44Å; S497-N519 PolarHBondContact N-OD1 2.8Å | ||
| 498 | P | 63.1 | Low | 79.3 | Confident | 136 Ų | 136 | 71.3 Ų | 71.3 | 88% | 0.883 | 37% | 0.374 | S | S | * | . | S | Bend | trans | -55.1 | -28.6 | 173.8 | -22 | 31.2 | 0 | 0 | 0 | 113 | I500 | P498-I500 PolarHBondContact O-N 3Š|
| 499 | S | 63.9 | Low | 80.5 | Confident | 47 Ų | 47 | 74 Ų | 74 | 33% | 0.329 | 37% | 0.373 | S | S | . | . | trans | -81.8 | 106.1 | 172.4 | 59.5 | 0 | 0 | 0 | 0 | 110.4 | S497 F502 | S497-S499 PolarHBondContact O-N 2.94Å; S497-S499 VanDerWaalsContact O-N 3.1Å; S497-S499 PolarHBondContact OG-OG 2.7Å; S499-F502 WeakPolarHBondContact O-CE2 3.28Å; S499-F502 VanDerWaalsContact OG-CE1 3.31Å; S499-F502 WeakPolarHBondContact OG-CE1 3.49Å; S499-F502 WeakPolarHBondContact OG-CZ 3.33Å | ||
| 500 | I | 66.7 | Low | 81.1 | Confident | 118 Ų | 118 | 74.3 Ų | 74.3 | 61% | 0.605 | 38% | 0.378 | S | S | * | . | S | Bend | trans | -72.6 | -34.3 | 172.1 | -62 | 166.6 | 0 | 0 | 0 | 110.5 | L496 P498 S516 | L496-I500 HydrophobicContact CD2-CG1 4.31Å; P498-I500 PolarHBondContact O-N 3Å; I500-S516 PolarHBondContact O-OG 3.29Å |
| 501 | D | 75.7 | Confident | 81.4 | Confident | 79 Ų | 79 | 84 Ų | 84 | 42% | 0.422 | 42% | 0.419 | S | S | . | . | trans | -110.3 | 96.9 | 178.9 | -174.8 | 7 | 0 | 0 | 0 | 111.7 | C503 T504 S516 | D501-C503 PolarHBondContact O-N 2.95Å; D501-C503 WeakPolarHBondContact OD1-CA 3.46Å; D501-C503 WeakPolarHBondContact OD1-CB 3.27Å; D501-C503 PolarHBondContact OD1-N 3.16Å; D501-T504 WeakPolarHBondContact O-CB 3.36Å; D501-T504 PolarHBondContact O-N 3.35Å; D501-T504 PolarHBondContact O-OG1 2.68Å; D501-S516 WeakPolarHBondContact OD1-CB 3.21Å | ||
| 502 | F | 80.5 | Confident | 81.8 | Confident | 42 Ų | 42 | 79.6 Ų | 79.6 | 18% | 0.184 | 40% | 0.402 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -72.7 | -8.3 | 175.8 | -70.1 | -92.3 | 0 | 0 | 0 | 113.2 | S499 T504 S516 N519 F521 | S499-F502 WeakPolarHBondContact O-CE2 3.28Å; S499-F502 VanDerWaalsContact OG-CE1 3.31Å; S499-F502 WeakPolarHBondContact OG-CE1 3.49Å; S499-F502 WeakPolarHBondContact OG-CZ 3.33Å; F502-T504 VanDerWaalsContact C-N 3.33Å; F502-S516 PolarHBondContact N-OG 2.97Å; F502-S516 VanDerWaalsContact N-OG 3.08Å; F502-N519 VanDerWaalsContact CZ-CA 3.48Å; F502-N519 HydrophobicContact CZ-CB 4.35Å; F502-F521 HydrophobicContact CB-CB 3.92Å; F502-F521 HydrophobicContact CB-CD1 4.32Å |
| 503 | C | 88.8 | Confident | 82.4 | Confident | 22 Ų | 22 | 82.1 Ų | 82.1 | 15% | 0.149 | 42% | 0.416 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -83.2 | -10.7 | 174.5 | -65.2 | 0 | 0 | 0 | 0 | 113.3 | D501 D505 K506 C514 I515 S516 | D501-C503 PolarHBondContact O-N 2.95Å; D501-C503 WeakPolarHBondContact OD1-CA 3.46Å; D501-C503 WeakPolarHBondContact OD1-CB 3.27Å; D501-C503 PolarHBondContact OD1-N 3.16Å; C503-D505 PolarHBondContact O-N 2.86Å; C503-K506 WeakPolarHBondContact O-CA 3.48Å; C503-K506 PolarHBondContact O-N 3.23Å; C503-C514 WeakPolarHBondContact CA-SG 3.47Å; C503-C514 HydrophobicContact CB-CB 3.66Å; C503-C514 WeakPolarHBondContact CB-SG 3.41Å; C503-C514 WeakPolarHBondContact SG-CB 3.3Å; C503-C514 CovalentContact SG-SG 2.04Å; C503-C514 PolarHBondContact SG-SG 3.39Å; C503-I515 VanDerWaalsContact SG-C 3.52Å; C503-S516 PolarHBondContact SG-N 3.05Å |
| 504 | T | 86.3 | Confident | 82.9 | Confident | 98 Ų | 98 | 83.5 Ų | 83.5 | 60% | 0.601 | 43% | 0.425 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -53 | -41.7 | 175.4 | -52.1 | 0 | 0 | 0 | 0 | 111.9 | D501 F502 K506 | D501-T504 WeakPolarHBondContact O-CB 3.36Å; D501-T504 PolarHBondContact O-N 3.35Å; D501-T504 PolarHBondContact O-OG1 2.68Å; F502-T504 VanDerWaalsContact C-N 3.33Å; T504-K506 PolarHBondContact O-N 3.06Å |
| 505 | D | 85.6 | Confident | 83.1 | Confident | 144 Ų | 144 | 86.6 Ų | 86.6 | 77% | 0.77 | 44% | 0.44 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -77.1 | 2.2 | -179.6 | -69.1 | -25.2 | 0 | 0 | 0 | 113.7 | C503 | C503-D505 PolarHBondContact O-N 2.86Š|
| 506 | K | 89.4 | Confident | 83.6 | Confident | 161 Ų | 161 | 79.8 Ų | 79.8 | 70% | 0.7 | 42% | 0.42 | S | S | * | . | trans | 45.2 | 58.7 | -175.3 | -60.7 | -179.2 | -177.7 | 178.2 | 0 | 112.2 | C503 T504 C508 | C503-K506 WeakPolarHBondContact O-CA 3.48Å; C503-K506 PolarHBondContact O-N 3.23Å; T504-K506 PolarHBondContact O-N 3.06Å; K506-C508 PolarHBondContact O-N 2.7Å | ||
| 507 | P | 92.5 | Very high | 84.2 | Confident | 20 Ų | 20 | 78.1 Ų | 78.1 | 13% | 0.13 | 41% | 0.413 | C | S | . | . | trans | -64.9 | -29.3 | -175.9 | 26.6 | -34.7 | 0 | 0 | 0 | 112.8 | R509 F521 | P507-R509 PolarHBondContact O-N 3.31Å; P507-F521 HydrophobicContact CB-CD1 3.98Å; P507-F521 HydrophobicContact CB-CD2 3.75Å; P507-F521 HydrophobicContact CB-CE1 3.73Å; P507-F521 HydrophobicContact CB-CE2 3.53Å; P507-F521 HydrophobicContact CB-CG 4Å; P507-F521 HydrophobicContact CB-CZ 3.5Å; P507-F521 HydrophobicContact CG-CB 4.03Å; P507-F521 HydrophobicContact CG-CD1 3.75Å; P507-F521 HydrophobicContact CG-CD2 3.46Å; P507-F521 VanDerWaalsContact CG-CD2 3.46Å; P507-F521 HydrophobicContact CG-CE1 4.06Å; P507-F521 HydrophobicContact CG-CE2 3.82Å; P507-F521 HydrophobicContact CG-CG 3.44Å; P507-F521 VanDerWaalsContact CG-CG 3.44Å; P507-F521 HydrophobicContact CG-CZ 4.09Å | ||
| 508 | C | 95.4 | Very high | 84.8 | Confident | 15 Ų | 15 | 76.5 Ų | 76.5 | 10% | 0.101 | 40% | 0.401 | C | S | . | . | trans | -75 | 123.7 | 178.8 | -49.2 | 0 | 0 | 0 | 0 | 111.4 | K506 G512 C514 C523 | K506-C508 PolarHBondContact O-N 2.7Å; C508-G512 WeakPolarHBondContact CB-O 3.44Å; C508-C514 HydrophobicContact CB-CB 4.34Å; C508-C514 WeakPolarHBondContact SG-CA 3.29Å; C508-C514 WeakPolarHBondContact SG-CB 3.23Å; C508-C523 WeakPolarHBondContact CA-SG 3.36Å; C508-C523 HydrophobicContact CB-CB 3.78Å; C508-C523 WeakPolarHBondContact CB-SG 3.44Å; C508-C523 WeakPolarHBondContact SG-CA 3.35Å; C508-C523 WeakPolarHBondContact SG-CB 3.2Å; C508-C523 CovalentContact SG-SG 2.02Å; C508-C523 PolarHBondContact SG-SG 2.85Å | ||
| 509 | R | 95.3 | Very high | 85.6 | Confident | 147 Ų | 147 | 72 Ų | 72 | 56% | 0.555 | 37% | 0.37 | S | S | * | . | trans | -92.7 | 174.8 | 178 | -57.3 | -57.7 | -176.8 | 174.5 | -3.3 | 110.9 | P507 K511 G512 I534 C535 T536 | P507-R509 PolarHBondContact O-N 3.31Å; R509-K511 PolarHBondContact O-N 2.92Å; R509-G512 PolarHBondContact O-N 2.75Å; R509-I534 WeakPolarHBondContact CB-O 3.07Å; R509-I534 PolarHBondContact N-O 3.1Å; R509-C535 WeakPolarHBondContact O-CB 3.04Å; R509-T536 HydrophobicContact CB-CG2 3.64Å; R509-T536 HydrophobicContact CG-CG2 3.66Å | ||
| 510 | N | 93.8 | Very high | 86.4 | Confident | 74 Ų | 74 | 72 Ų | 72 | 40% | 0.396 | 37% | 0.365 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 51.8 | 35.3 | 173.8 | -61.6 | -45.6 | 0 | 0 | 0 | 115.6 | G512 T528 F530 C535 | N510-G512 VanDerWaalsContact C-N 3.26Å; N510-G512 PolarHBondContact O-N 2.94Å; N510-T528 VanDerWaalsContact O-CG2 3.29Å; N510-T528 WeakPolarHBondContact O-CG2 3.39Å; N510-F530 HydrophobicContact CB-CB 4.46Å; N510-F530 HydrophobicContact CB-CD2 3.26Å; N510-F530 HydrophobicContact CB-CE2 3.54Å; N510-F530 HydrophobicContact CB-CG 3.93Å; N510-F530 HydrophobicContact CB-CZ 4.39Å; N510-F530 VanDerWaalsContact CG-CD2 3.41Å; N510-F530 WeakPolarHBondContact ND2-CD1 3.27Å; N510-F530 WeakPolarHBondContact ND2-CD2 3.46Å; N510-F530 WeakPolarHBondContact ND2-CG 3.41Å; N510-C535 PolarHBondContact ND2-O 2.72Å |
| 511 | K | 91.1 | Very high | 87.3 | Confident | 205 Ų | 205 | 70 Ų | 70 | 89% | 0.891 | 35% | 0.352 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 64.9 | 21.1 | -176.3 | -49.7 | 176.3 | -179.7 | 176.9 | 0 | 114.6 | R509 | R509-K511 PolarHBondContact O-N 2.92Š|
| 512 | G | 92.8 | Very high | 87.8 | Confident | 13 Ų | 13 | 71.9 Ų | 71.9 | 13% | 0.134 | 36% | 0.359 | C | S | . | . | P | Polyproline II helix | trans | -59.1 | 140.9 | 169.1 | 0 | 0 | 0 | 0 | 0 | 111.2 | C508 R509 N510 D524 | C508-G512 WeakPolarHBondContact CB-O 3.44Å; R509-G512 PolarHBondContact O-N 2.75Å; N510-G512 VanDerWaalsContact C-N 3.26Å; N510-G512 PolarHBondContact O-N 2.94Å; G512-D524 WeakPolarHBondContact CA-O 3.34Å |
| 513 | Q | 93 | Very high | 88.4 | Confident | 113 Ų | 113 | 70.6 Ų | 70.6 | 53% | 0.528 | 36% | 0.355 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -82.9 | 122.6 | 178.7 | 177.2 | 175.8 | 1.5 | 0 | 0 | 109.1 | C523 D524 | Q513-C523 WeakPolarHBondContact O-CA 3.29Å; Q513-D524 HydrophobicContact CB-CB 4.26Å; Q513-D524 PolarHBondContact N-O 2.91Å; Q513-D524 PolarHBondContact O-N 3.03Å |
| 514 | C | 93.7 | Very high | 88.6 | Confident | 35 Ų | 35 | 71.2 Ų | 71.2 | 24% | 0.236 | 36% | 0.356 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.3 | 131.8 | 177.8 | -171.3 | 0 | 0 | 0 | 0 | 110.7 | C503 C508 | C503-C514 WeakPolarHBondContact CA-SG 3.47Å; C503-C514 HydrophobicContact CB-CB 3.66Å; C503-C514 WeakPolarHBondContact CB-SG 3.41Å; C503-C514 WeakPolarHBondContact SG-CB 3.3Å; C503-C514 CovalentContact SG-SG 2.04Å; C503-C514 PolarHBondContact SG-SG 3.39Å; C508-C514 HydrophobicContact CB-CB 4.34Å; C508-C514 WeakPolarHBondContact SG-CA 3.29Å; C508-C514 WeakPolarHBondContact SG-CB 3.23Å |
| 515 | I | 87.5 | Confident | 89 | Confident | 81 Ų | 81 | 67.2 Ų | 67.2 | 42% | 0.415 | 33% | 0.333 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.5 | 114.6 | 173.8 | -55.4 | 171.7 | 0 | 0 | 0 | 106.9 | C503 F521 E522 | C503-I515 VanDerWaalsContact SG-C 3.52Å; I515-F521 WeakPolarHBondContact O-CA 3.44Å; I515-E522 PolarHBondContact N-O 3.19Å; I515-E522 PolarHBondContact O-N 2.87Å |
| 516 | S | 84.5 | Confident | 89.3 | Confident | 40 Ų | 40 | 60.7 Ų | 60.7 | 28% | 0.28 | 30% | 0.298 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -80.9 | 132 | 174.5 | -166.4 | 0 | 0 | 0 | 0 | 108.9 | I500 D501 F502 C503 | I500-S516 PolarHBondContact O-OG 3.29Å; D501-S516 WeakPolarHBondContact OD1-CB 3.21Å; F502-S516 PolarHBondContact N-OG 2.97Å; F502-S516 VanDerWaalsContact N-OG 3.08Å; C503-S516 PolarHBondContact SG-N 3.05Å |
| 517 | S | 80.5 | Confident | 89.4 | Confident | 16 Ų | 16 | 55.4 Ų | 55.4 | 11% | 0.112 | 28% | 0.277 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.5 | -173.7 | -179.2 | 178.9 | 0 | 0 | 0 | 0 | 109 | T308 T309 N519 I520 | T308-S517 VanDerWaalsContact OG1-C 3.31Å; T309-S517 WeakPolarHBondContact CG2-OG 3.38Å; S517-N519 PolarHBondContact O-N 3.31Å; S517-I520 CarbonylContact C-O 3.58Å; S517-I520 WeakPolarHBondContact CA-O 3.27Å; S517-I520 PolarHBondContact N-O 3.16Å; S517-I520 PolarHBondContact O-N 3.5Å |
| 518 | W | 80.7 | Confident | 89.4 | Confident | 0 Ų | 0 | 54.9 Ų | 54.9 | 0% | 0 | 27% | 0.274 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -63.9 | 106.8 | -175.8 | 179.5 | -94.6 | 0 | 0 | 0 | 111.4 | R306 T308 V462 G463 C464 L496 I520 | R306-W518 HydrophobicContact CB-CH2 4.23Å; R306-W518 HydrophobicContact CG-CH2 3.42Å; R306-W518 VanDerWaalsContact CG-CH2 3.42Å; R306-W518 HydrophobicContact CG-CZ2 4.37Å; R306-W518 HydrophobicContact CG-CZ3 3.61Å; T308-W518 HydrophobicContact CG2-CE3 4.24Å; T308-W518 VanDerWaalsContact OG1-CA 3.31Å; T308-W518 WeakPolarHBondContact OG1-CA 3.37Å; T308-W518 PolarHBondContact OG1-N 2.8Å; T308-W518 VanDerWaalsContact OG1-N 3.09Å; V462-W518 HydrophobicContact CG1-CB 4.02Å; G463-W518 VanDerWaalsContact CA-CD1 3.49Å; C464-W518 WeakPolarHBondContact SG-CZ2 3.47Å; L496-W518 HydrophobicContact CB-CH2 3.93Å; L496-W518 HydrophobicContact CB-CZ2 4.36Å; L496-W518 HydrophobicContact CD1-CD2 4.49Å; L496-W518 HydrophobicContact CD1-CE3 3.9Å; L496-W518 HydrophobicContact CD1-CH2 3.36Å; L496-W518 HydrophobicContact CD1-CZ2 4.02Å; L496-W518 HydrophobicContact CD1-CZ3 3.33Å; L496-W518 HydrophobicContact CG-CH2 4.2Å; L496-W518 HydrophobicContact CG-CZ3 4.5Å; W518-I520 PolarHBondContact O-N 3.23Å |
| 519 | N | 79 | Confident | 89.2 | Confident | 43 Ų | 43 | 57.3 Ų | 57.3 | 23% | 0.23 | 29% | 0.286 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 58.7 | 9.8 | -178.7 | -67.9 | -30.2 | 0 | 0 | 0 | 116.2 | R495 S497 F502 S517 | R495-N519 PolarHBondContact O-ND2 2.85Å; S497-N519 WeakPolarHBondContact CB-OD1 3.44Å; S497-N519 PolarHBondContact N-OD1 2.8Å; F502-N519 VanDerWaalsContact CZ-CA 3.48Å; F502-N519 HydrophobicContact CZ-CB 4.35Å; S517-N519 PolarHBondContact O-N 3.31Å |
| 520 | I | 80.8 | Confident | 89 | Confident | 45 Ų | 45 | 53.7 Ų | 53.7 | 23% | 0.231 | 27% | 0.274 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -139.6 | 151.7 | -176.8 | 66.9 | 178.6 | 0 | 0 | 0 | 109.9 | V462 S517 W518 | V462-I520 HydrophobicContact CG1-CD1 4.1Å; S517-I520 CarbonylContact C-O 3.58Å; S517-I520 WeakPolarHBondContact CA-O 3.27Å; S517-I520 PolarHBondContact N-O 3.16Å; S517-I520 PolarHBondContact O-N 3.5Å; W518-I520 PolarHBondContact O-N 3.23Å |
| 521 | F | 85.5 | Confident | 88.9 | Confident | 76 Ų | 76 | 51.7 Ų | 51.7 | 33% | 0.333 | 27% | 0.266 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.9 | 145.9 | 160.7 | 65.4 | -92.7 | 0 | 0 | 0 | 108.8 | F502 P507 I515 I534 | F502-F521 HydrophobicContact CB-CB 3.92Å; F502-F521 HydrophobicContact CB-CD1 4.32Å; P507-F521 HydrophobicContact CB-CD1 3.98Å; P507-F521 HydrophobicContact CB-CD2 3.75Å; P507-F521 HydrophobicContact CB-CE1 3.73Å; P507-F521 HydrophobicContact CB-CE2 3.53Å; P507-F521 HydrophobicContact CB-CG 4Å; P507-F521 HydrophobicContact CB-CZ 3.5Å; P507-F521 HydrophobicContact CG-CB 4.03Å; P507-F521 HydrophobicContact CG-CD1 3.75Å; P507-F521 HydrophobicContact CG-CD2 3.46Å; P507-F521 VanDerWaalsContact CG-CD2 3.46Å; P507-F521 HydrophobicContact CG-CE1 4.06Å; P507-F521 HydrophobicContact CG-CE2 3.82Å; P507-F521 HydrophobicContact CG-CG 3.44Å; P507-F521 VanDerWaalsContact CG-CG 3.44Å; P507-F521 HydrophobicContact CG-CZ 4.09Å; I515-F521 WeakPolarHBondContact O-CA 3.44Å; F521-I534 HydrophobicContact CE2-CG2 3.74Å; F521-I534 HydrophobicContact CZ-CG2 3.97Å |
| 522 | E | 87.6 | Confident | 88.9 | Confident | 120 Ų | 120 | 42.7 Ų | 42.7 | 56% | 0.561 | 23% | 0.232 | S | C | * | . | E | Extended strand (participates in β ladder) | trans | -117.6 | 136.9 | 168.7 | -174.6 | 171 | -177.1 | 0 | 0 | 108.9 | I515 | I515-E522 PolarHBondContact N-O 3.19Å; I515-E522 PolarHBondContact O-N 2.87Å |
| 523 | C | 93.1 | Very high | 88.7 | Confident | 14 Ų | 14 | 49.6 Ų | 49.6 | 10% | 0.095 | 26% | 0.258 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.4 | 114.3 | 177.5 | -63.8 | 0 | 0 | 0 | 0 | 109.8 | C508 Q513 C525 K533 | C508-C523 WeakPolarHBondContact CA-SG 3.36Å; C508-C523 HydrophobicContact CB-CB 3.78Å; C508-C523 WeakPolarHBondContact CB-SG 3.44Å; C508-C523 WeakPolarHBondContact SG-CA 3.35Å; C508-C523 WeakPolarHBondContact SG-CB 3.2Å; C508-C523 CovalentContact SG-SG 2.02Å; C508-C523 PolarHBondContact SG-SG 2.85Å; Q513-C523 WeakPolarHBondContact O-CA 3.29Å; C523-C525 PolarHBondContact O-N 2.81Å; C523-K533 VanDerWaalsContact CB-O 3.3Å; C523-K533 WeakPolarHBondContact CB-O 3.48Å; C523-K533 PolarHBondContact SG-O 2.7Å |
| 524 | D | 92.6 | Very high | 88.8 | Confident | 35 Ų | 35 | 47 Ų | 47 | 19% | 0.187 | 25% | 0.247 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -76.3 | 105 | 166.3 | 179.6 | 8.8 | 0 | 0 | 0 | 109 | G512 Q513 S526 K630 | G512-D524 WeakPolarHBondContact CA-O 3.34Å; Q513-D524 HydrophobicContact CB-CB 4.26Å; Q513-D524 PolarHBondContact N-O 2.91Å; Q513-D524 PolarHBondContact O-N 3.03Å; D524-S526 VanDerWaalsContact CG-OG 3.24Å; D524-S526 WeakPolarHBondContact OD1-CB 3.4Å; D524-S526 PolarHBondContact OD1-N 2.88Å; D524-S526 PolarHBondContact OD1-OG 2.79Å; D524-S526 PolarHBondContact OD2-OG 2.89Å; D524-K630 IonicContact OD2-NZ 3.65Å; D524-K630 PolarHBondContact OD2-NZ 2.79Å |
| 525 | C | 94 | Very high | 88.9 | Confident | 15 Ų | 15 | 45.3 Ų | 45.3 | 10% | 0.101 | 24% | 0.236 | C | C | . | . | trans | -93.4 | 0 | 177.1 | -47.4 | 0 | 0 | 0 | 0 | 113.1 | C523 N527 T528 F530 G532 C535 | C523-C525 PolarHBondContact O-N 2.81Å; C525-N527 PolarHBondContact O-N 2.87Å; C525-N527 VanDerWaalsContact O-N 3.15Å; C525-T528 WeakPolarHBondContact O-CA 3.3Å; C525-T528 WeakPolarHBondContact O-CB 3.27Å; C525-T528 PolarHBondContact O-N 2.88Å; C525-T528 PolarHBondContact O-OG1 2.76Å; C525-F530 VanDerWaalsContact CB-O 3.3Å; C525-F530 WeakPolarHBondContact CB-O 3.24Å; C525-G532 PolarHBondContact SG-O 2.95Å; C525-C535 WeakPolarHBondContact CA-SG 3.33Å; C525-C535 HydrophobicContact CB-CB 3.78Å; C525-C535 WeakPolarHBondContact CB-SG 3.24Å; C525-C535 WeakPolarHBondContact SG-CA 3.48Å; C525-C535 WeakPolarHBondContact SG-CB 3.49Å; C525-C535 PolarHBondContact SG-N 3.07Å; C525-C535 VanDerWaalsContact SG-N 3.42Å; C525-C535 CovalentContact SG-SG 2.03Å; C525-C535 PolarHBondContact SG-SG 3.46Å | ||
| 526 | S | 91.9 | Very high | 89.2 | Confident | 6 Ų | 6 | 44.5 Ų | 44.5 | 4% | 0.042 | 24% | 0.235 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -64.9 | -19.8 | -172 | 65.6 | 0 | 0 | 0 | 0 | 114.8 | D524 R569 T628 K630 | D524-S526 VanDerWaalsContact CG-OG 3.24Å; D524-S526 WeakPolarHBondContact OD1-CB 3.4Å; D524-S526 PolarHBondContact OD1-N 2.88Å; D524-S526 PolarHBondContact OD1-OG 2.79Å; D524-S526 PolarHBondContact OD2-OG 2.89Å; S526-R569 WeakPolarHBondContact O-CD 3.23Å; S526-T628 PolarHBondContact O-OG1 3.45Å; S526-K630 VanDerWaalsContact OG-CE 3.29Å; S526-K630 WeakPolarHBondContact OG-CE 3.24Å; S526-K630 PolarHBondContact OG-NZ 2.86Å |
| 527 | N | 91.4 | Very high | 89.7 | Confident | 50 Ų | 50 | 47 Ų | 47 | 27% | 0.267 | 24% | 0.242 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -96.4 | 6.6 | 174.1 | -76.2 | -16.7 | 0 | 0 | 0 | 112.7 | C525 T628 N644 | C525-N527 PolarHBondContact O-N 2.87Å; C525-N527 VanDerWaalsContact O-N 3.15Å; N527-T628 WeakPolarHBondContact OD1-CB 3.47Å; N527-T628 WeakPolarHBondContact OD1-CG2 3.49Å; N527-N644 PolarHBondContact ND2-OD1 2.78Å; N527-N644 VanDerWaalsContact ND2-OD1 3.15Å |
| 528 | T | 92.6 | Very high | 90.2 | Very high | 9 Ų | 9 | 52.9 Ų | 52.9 | 6% | 0.055 | 27% | 0.272 | C | S | . | . | S | Bend | trans | -114.3 | 166.2 | -178.7 | 80.5 | 0 | 0 | 0 | 0 | 110.6 | N510 C525 F530 R569 | N510-T528 VanDerWaalsContact O-CG2 3.29Å; N510-T528 WeakPolarHBondContact O-CG2 3.39Å; C525-T528 WeakPolarHBondContact O-CA 3.3Å; C525-T528 WeakPolarHBondContact O-CB 3.27Å; C525-T528 PolarHBondContact O-N 2.88Å; C525-T528 PolarHBondContact O-OG1 2.76Å; T528-F530 PolarHBondContact O-N 2.88Å; T528-F530 PolarHBondContact OG1-N 2.84Å; T528-F530 VanDerWaalsContact OG1-N 3.13Å; T528-F530 PolarHBondContact OG1-O 3.04Å; T528-F530 VanDerWaalsContact OG1-O 3.06Å; T528-R569 PolarHBondContact O-NE 2.94Å |
| 529 | N | 91 | Very high | 90.7 | Very high | 67 Ų | 67 | 54.1 Ų | 54.1 | 36% | 0.358 | 28% | 0.28 | S | S | . | . | S | Bend | trans | -89.1 | 23.5 | 170 | -67.5 | -12.7 | 0 | 0 | 0 | 112.3 | P539 R569 M703 | N529-P539 VanDerWaalsContact O-CD 3.29Å; N529-P539 WeakPolarHBondContact O-CD 3.05Å; N529-P539 WeakPolarHBondContact O-CG 2.9Å; N529-R569 PolarHBondContact OD1-NE 2.85Å; N529-R569 PolarHBondContact OD1-NH2 2.74Å; N529-M703 HydrophobicContact CB-CE 4.17Å; N529-M703 HydrophobicContact CB-SD 4.48Å |
| 530 | F | 92.8 | Very high | 91.3 | Very high | 70 Ų | 70 | 53.2 Ų | 53.2 | 31% | 0.307 | 28% | 0.275 | S | S | . | . | trans | -132.1 | 160.1 | -175.4 | -60.9 | -88.4 | 0 | 0 | 0 | 110.3 | N510 C525 T528 C535 E537 | N510-F530 HydrophobicContact CB-CB 4.46Å; N510-F530 HydrophobicContact CB-CD2 3.26Å; N510-F530 HydrophobicContact CB-CE2 3.54Å; N510-F530 HydrophobicContact CB-CG 3.93Å; N510-F530 HydrophobicContact CB-CZ 4.39Å; N510-F530 VanDerWaalsContact CG-CD2 3.41Å; N510-F530 WeakPolarHBondContact ND2-CD1 3.27Å; N510-F530 WeakPolarHBondContact ND2-CD2 3.46Å; N510-F530 WeakPolarHBondContact ND2-CG 3.41Å; C525-F530 VanDerWaalsContact CB-O 3.3Å; C525-F530 WeakPolarHBondContact CB-O 3.24Å; T528-F530 PolarHBondContact O-N 2.88Å; T528-F530 PolarHBondContact OG1-N 2.84Å; T528-F530 VanDerWaalsContact OG1-N 3.13Å; T528-F530 PolarHBondContact OG1-O 3.04Å; T528-F530 VanDerWaalsContact OG1-O 3.06Å; F530-C535 HydrophobicContact CB-CB 4.37Å; F530-C535 WeakPolarHBondContact CB-O 3.07Å; F530-E537 WeakPolarHBondContact CA-O 3.4Å | ||
| 531 | S | 91.7 | Very high | 91.9 | Very high | 33 Ų | 33 | 51.4 Ų | 51.4 | 23% | 0.231 | 27% | 0.266 | C | S | . | . | B | Isolated β-bridge | trans | -128 | -173 | 179.4 | 69.1 | 0 | 0 | 0 | 0 | 110.9 | C535 T536 E537 N538 | S531-C535 CarbonylContact O-C 3.54Å; S531-C535 WeakPolarHBondContact O-CA 3.1Å; S531-T536 PolarHBondContact O-N 2.83Å; S531-T536 VanDerWaalsContact O-N 3.07Å; S531-E537 PolarHBondContact N-O 3.33Å; S531-E537 WeakPolarHBondContact O-CB 3.4Å; S531-E537 PolarHBondContact O-N 3.19Å; S531-E537 WeakPolarHBondContact OG-CB 3.49Å; S531-E537 PolarHBondContact OG-O 3.15Å; S531-N538 PolarHBondContact OG-O 2.91Å |
| 532 | G | 90.2 | Very high | 92.2 | Very high | 16 Ų | 16 | 47.8 Ų | 47.8 | 17% | 0.165 | 25% | 0.25 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 87.7 | 176.4 | 177.4 | 0 | 0 | 0 | 0 | 0 | 113.7 | C525 I534 C535 E537 | C525-G532 PolarHBondContact SG-O 2.95Å; G532-I534 PolarHBondContact O-N 2.84Å; G532-I534 VanDerWaalsContact O-N 3.17Å; G532-C535 PolarHBondContact O-N 3.02Å; G532-E537 WeakPolarHBondContact CA-OE1 3.36Å; G532-E537 WeakPolarHBondContact CA-OE2 3.39Å |
| 533 | K | 89.7 | Confident | 92.4 | Very high | 157 Ų | 157 | 42.5 Ų | 42.5 | 68% | 0.683 | 23% | 0.226 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -63.4 | -25.5 | -171.6 | -68.9 | -179.2 | -179 | 169.5 | 0 | 114.8 | C523 | C523-K533 VanDerWaalsContact CB-O 3.3Å; C523-K533 WeakPolarHBondContact CB-O 3.48Å; C523-K533 PolarHBondContact SG-O 2.7Å |
| 534 | I | 94.3 | Very high | 92.3 | Very high | 58 Ų | 58 | 41.9 Ų | 41.9 | 30% | 0.297 | 22% | 0.222 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -125.9 | 16.7 | -178.1 | 55.5 | 163.7 | 0 | 0 | 0 | 112.2 | R509 F521 G532 T536 | R509-I534 WeakPolarHBondContact CB-O 3.07Å; R509-I534 PolarHBondContact N-O 3.1Å; F521-I534 HydrophobicContact CE2-CG2 3.74Å; F521-I534 HydrophobicContact CZ-CG2 3.97Å; G532-I534 PolarHBondContact O-N 2.84Å; G532-I534 VanDerWaalsContact O-N 3.17Å; I534-T536 HydrophobicContact CD1-CG2 3.8Å; I534-T536 HydrophobicContact CG1-CG2 3.92Å |
| 535 | C | 95.2 | Very high | 92 | Very high | 0 Ų | 0 | 41.1 Ų | 41.1 | 0% | 0 | 22% | 0.218 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 58.9 | 43.9 | -179.5 | -43.6 | 0 | 0 | 0 | 0 | 114.3 | R509 N510 C525 F530 S531 G532 | R509-C535 WeakPolarHBondContact O-CB 3.04Å; N510-C535 PolarHBondContact ND2-O 2.72Å; C525-C535 WeakPolarHBondContact CA-SG 3.33Å; C525-C535 HydrophobicContact CB-CB 3.78Å; C525-C535 WeakPolarHBondContact CB-SG 3.24Å; C525-C535 WeakPolarHBondContact SG-CA 3.48Å; C525-C535 WeakPolarHBondContact SG-CB 3.49Å; C525-C535 PolarHBondContact SG-N 3.07Å; C525-C535 VanDerWaalsContact SG-N 3.42Å; C525-C535 CovalentContact SG-SG 2.03Å; C525-C535 PolarHBondContact SG-SG 3.46Å; F530-C535 HydrophobicContact CB-CB 4.37Å; F530-C535 WeakPolarHBondContact CB-O 3.07Å; S531-C535 CarbonylContact O-C 3.54Å; S531-C535 WeakPolarHBondContact O-CA 3.1Å; G532-C535 PolarHBondContact O-N 3.02Å |
| 536 | T | 95.3 | Very high | 91.5 | Very high | 65 Ų | 65 | 40.4 Ų | 40.4 | 40% | 0.399 | 21% | 0.213 | S | C | . | . | trans | -118.4 | -14.6 | 178 | 54.9 | 0 | 0 | 0 | 0 | 113.9 | R509 S531 I534 | R509-T536 HydrophobicContact CB-CG2 3.64Å; R509-T536 HydrophobicContact CG-CG2 3.66Å; S531-T536 PolarHBondContact O-N 2.83Å; S531-T536 VanDerWaalsContact O-N 3.07Å; I534-T536 HydrophobicContact CD1-CG2 3.8Å; I534-T536 HydrophobicContact CG1-CG2 3.92Å | ||
| 537 | E | 93.5 | Very high | 90.9 | Very high | 93 Ų | 93 | 41.7 Ų | 41.7 | 44% | 0.435 | 22% | 0.218 | S | C | . | . | B | Isolated β-bridge | trans | -80.2 | 154.1 | -178.1 | -63.8 | 165.6 | -147.2 | 0 | 0 | 109.6 | F530 S531 G532 | F530-E537 WeakPolarHBondContact CA-O 3.4Å; S531-E537 PolarHBondContact N-O 3.33Å; S531-E537 WeakPolarHBondContact O-CB 3.4Å; S531-E537 PolarHBondContact O-N 3.19Å; S531-E537 WeakPolarHBondContact OG-CB 3.49Å; S531-E537 PolarHBondContact OG-O 3.15Å; G532-E537 WeakPolarHBondContact CA-OE1 3.36Å; G532-E537 WeakPolarHBondContact CA-OE2 3.39Å |
| 538 | N | 90.9 | Very high | 90.7 | Very high | 139 Ų | 139 | 39.6 Ų | 39.6 | 74% | 0.743 | 21% | 0.207 | S | C | * | . | P | Polyproline II helix | trans | -71.3 | 134.2 | 173.2 | -72.2 | -18.4 | 0 | 0 | 0 | 109 | S531 | S531-N538 PolarHBondContact OG-O 2.91Š|
| 539 | P | 91.3 | Very high | 90.5 | Very high | 25 Ų | 25 | 41.4 Ų | 41.4 | 16% | 0.162 | 21% | 0.213 | C | C | . | . | P | Polyproline II helix | trans | -74.2 | 157.8 | -179.9 | 33.4 | -36.2 | 0 | 0 | 0 | 111.3 | N529 I541 M703 | N529-P539 VanDerWaalsContact O-CD 3.29Å; N529-P539 WeakPolarHBondContact O-CD 3.05Å; N529-P539 WeakPolarHBondContact O-CG 2.9Å; P539-I541 HydrophobicContact CG-CD1 4.26Å; P539-I541 HydrophobicContact CG-CG1 4.18Å; P539-I541 PolarHBondContact O-N 3.23Å; P539-M703 HydrophobicContact CB-CG 3.54Å; P539-M703 HydrophobicContact CB-SD 4.02Å; P539-M703 HydrophobicContact CG-CE 4Å; P539-M703 HydrophobicContact CG-CG 3.83Å; P539-M703 HydrophobicContact CG-SD 3.84Å |
| 540 | I | 91.6 | Very high | 90.5 | Very high | 25 Ų | 25 | 38.4 Ų | 38.4 | 13% | 0.128 | 20% | 0.196 | C | C | . | . | P | Polyproline II helix | trans | -79.1 | 119.1 | 168 | -58.3 | 166.8 | 0 | 0 | 0 | 106.7 | L713 R714 Q717 W974 | I540-L713 HydrophobicContact CB-CB 4.47Å; I540-L713 HydrophobicContact CG2-CB 4.28Å; I540-R714 HydrophobicContact CD1-CB 4.2Å; I540-Q717 HydrophobicContact CD1-CB 4.12Å; I540-W974 HydrophobicContact CG2-CH2 3.3Å; I540-W974 HydrophobicContact CG2-CZ2 3.73Å; I540-W974 HydrophobicContact CG2-CZ3 4.26Å |
| 541 | I | 93.4 | Very high | 90.4 | Very high | 7 Ų | 7 | 36.8 Ų | 36.8 | 4% | 0.036 | 19% | 0.188 | C | C | . | . | trans | -113.8 | 128.6 | 176.2 | -58.6 | 171.4 | 0 | 0 | 0 | 107.9 | P539 W626 Y701 I702 M703 S739 Y741 | P539-I541 HydrophobicContact CG-CD1 4.26Å; P539-I541 HydrophobicContact CG-CG1 4.18Å; P539-I541 PolarHBondContact O-N 3.23Å; I541-W626 HydrophobicContact CD1-CZ2 4.18Å; I541-W626 HydrophobicContact CG2-CH2 3.98Å; I541-W626 HydrophobicContact CG2-CZ2 4.36Å; I541-Y701 HydrophobicContact CG2-CD1 4.21Å; I541-I702 WeakPolarHBondContact CA-O 2.98Å; I541-M703 HydrophobicContact CD1-CE 4.02Å; I541-M703 HydrophobicContact CG1-CB 4.37Å; I541-M703 HydrophobicContact CG1-CE 4.29Å; I541-M703 HydrophobicContact CG1-CG 4.22Å; I541-S739 PolarHBondContact O-N 3.01Å; I541-Y741 HydrophobicContact CD1-CE1 4.02Å; I541-Y741 HydrophobicContact CD1-CE2 3.75Å; I541-Y741 WeakPolarHBondContact CD1-OH 3.48Å | ||
| 542 | V | 92.9 | Very high | 90.4 | Very high | 0 Ų | 0 | 35.2 Ų | 35.2 | 0% | 0 | 18% | 0.177 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.3 | 141.8 | 173.3 | -68.1 | 0 | 0 | 0 | 0 | 110.3 | F544 Y701 I702 L713 A736 T737 W974 | V542-F544 HydrophobicContact CB-CE2 4.39Å; V542-F544 HydrophobicContact CG2-CD2 4.44Å; V542-F544 HydrophobicContact CG2-CE2 3.62Å; V542-F544 HydrophobicContact CG2-CZ 4.39Å; V542-Y701 CarbonylContact O-C 3.54Å; V542-Y701 VanDerWaalsContact O-CA 3.27Å; V542-Y701 WeakPolarHBondContact O-CA 3.5Å; V542-I702 HydrophobicContact CG2-CB 3.95Å; V542-I702 WeakPolarHBondContact CG2-O 3.24Å; V542-I702 PolarHBondContact N-O 3.27Å; V542-I702 PolarHBondContact O-N 3.12Å; V542-L713 HydrophobicContact CG1-CD2 4.2Å; V542-L713 HydrophobicContact CG2-CD1 4.32Å; V542-L713 HydrophobicContact CG2-CD2 3.73Å; V542-A736 HydrophobicContact CB-CB 4.07Å; V542-A736 HydrophobicContact CG2-CB 4.48Å; V542-T737 CarbonylContact C-O 3.44Å; V542-T737 VanDerWaalsContact CA-O 3.26Å; V542-T737 WeakPolarHBondContact CA-O 3.44Å; V542-W974 HydrophobicContact CG1-CH2 3.33Å; V542-W974 HydrophobicContact CG1-CZ2 4.49Å; V542-W974 HydrophobicContact CG1-CZ3 3.59Å |
| 543 | S | 91.5 | Very high | 90.2 | Very high | 9 Ų | 9 | 36.7 Ų | 36.7 | 6% | 0.063 | 18% | 0.179 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -100 | 143.8 | 172 | 44.8 | 0 | 0 | 0 | 0 | 110.9 | Q548 G700 T737 | S543-Q548 PolarHBondContact O-OE1 3.22Å; S543-G700 WeakPolarHBondContact CA-O 3.49Å; S543-T737 PolarHBondContact N-O 2.96Å; S543-T737 PolarHBondContact O-N 3.42Å; S543-T737 PolarHBondContact OG-O 2.83Å; S543-T737 PolarHBondContact OG-OG1 3.08Å |
| 544 | F | 91.1 | Very high | 90 | Very high | 0 Ų | 0 | 30.2 Ų | 30.2 | 0% | 0 | 15% | 0.151 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.7 | 120.7 | 172.8 | -70.7 | -101.8 | 0 | 0 | 0 | 108.6 | V542 Q548 L550 L665 F698 I699 G700 I702 A736 N744 | V542-F544 HydrophobicContact CB-CE2 4.39Å; V542-F544 HydrophobicContact CG2-CD2 4.44Å; V542-F544 HydrophobicContact CG2-CE2 3.62Å; V542-F544 HydrophobicContact CG2-CZ 4.39Å; F544-Q548 VanDerWaalsContact CA-OE1 3.3Å; F544-Q548 HydrophobicContact CD1-CB 4.09Å; F544-L550 HydrophobicContact CZ-CB 4.39Å; F544-L665 HydrophobicContact CE2-CD2 4.48Å; F544-L665 HydrophobicContact CZ-CD2 3.93Å; F544-L665 HydrophobicContact CZ-CG 4.35Å; F544-F698 HydrophobicContact CB-CD1 3.67Å; F544-F698 HydrophobicContact CB-CE1 4.2Å; F544-F698 HydrophobicContact CD1-CD1 4.46Å; F544-F698 AromaticContact CD2-CD1 3.98Å; F544-F698 HydrophobicContact CD2-CD1 3.98Å; F544-F698 HydrophobicContact CD2-CE1 4.06Å; F544-F698 AromaticContact CG-CD1 3.79Å; F544-F698 HydrophobicContact CG-CD1 3.79Å; F544-F698 HydrophobicContact CG-CE1 4.3Å; F544-I699 WeakPolarHBondContact O-CA 3.37Å; F544-G700 PolarHBondContact N-O 3.42Å; F544-G700 PolarHBondContact O-N 3.4Å; F544-I702 HydrophobicContact CD2-CD1 3.9Å; F544-I702 HydrophobicContact CD2-CG1 4Å; F544-I702 HydrophobicContact CE2-CB 4.14Å; F544-I702 HydrophobicContact CE2-CD1 3.41Å; F544-I702 VanDerWaalsContact CE2-CD1 3.41Å; F544-I702 HydrophobicContact CE2-CG1 3.74Å; F544-I702 HydrophobicContact CZ-CD1 3.95Å; F544-A736 HydrophobicContact CD1-CB 4.24Å; F544-A736 HydrophobicContact CD2-CB 4.29Å; F544-A736 HydrophobicContact CE1-CB 3.82Å; F544-A736 HydrophobicContact CE2-CB 3.86Å; F544-A736 HydrophobicContact CG-CB 4.45Å; F544-A736 HydrophobicContact CZ-CB 3.6Å; F544-N744 PolarHBondContact O-ND2 3.06Å |
| 545 | D | 85.9 | Confident | 89.2 | Confident | 20 Ų | 20 | 28.1 Ų | 28.1 | 11% | 0.107 | 14% | 0.141 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -90.2 | 2 | -179.6 | 67.6 | 4.6 | 0 | 0 | 0 | 113.8 | F547 Q548 H745 L747 P748 | D545-F547 WeakPolarHBondContact OD1-CA 3.04Å; D545-F547 PolarHBondContact OD1-N 3.48Å; D545-Q548 VanDerWaalsContact OD1-CG 3.29Å; D545-Q548 WeakPolarHBondContact OD1-CG 3.07Å; D545-Q548 PolarHBondContact OD1-N 3.41Å; D545-Q548 VanDerWaalsContact OD1-N 3.07Å; D545-H745 WeakPolarHBondContact CB-O 3.38Å; D545-L747 WeakPolarHBondContact O-CA 3.29Å; D545-L747 PolarHBondContact O-N 3.46Å; D545-P748 HydrophobicContact CB-CG 4.3Å; D545-P748 WeakPolarHBondContact OD2-CG 3.42Å |
| 546 | G | 83.9 | Confident | 88.3 | Confident | 0 Ų | 0 | 30 Ų | 30 | 0% | 0 | 15% | 0.154 | C | C | . | . | S | Bend | trans | 93.9 | -12.9 | -174.8 | 0 | 0 | 0 | 0 | 0 | 114.9 | V697 F698 | G546-V697 WeakPolarHBondContact O-CB 3.19Å; G546-V697 WeakPolarHBondContact O-CG1 3.13Å; G546-V697 VanDerWaalsContact O-CG2 3.26Å; G546-V697 WeakPolarHBondContact O-CG2 3.33Å; G546-F698 WeakPolarHBondContact CA-O 3.4Å; G546-F698 PolarHBondContact N-O 3.02Å |
| 547 | F | 79.5 | Confident | 87.5 | Confident | 32 Ų | 32 | 27.6 Ų | 27.6 | 14% | 0.14 | 14% | 0.138 | C | C | . | . | S | Bend | trans | -113.7 | 1.4 | 167.9 | -56.9 | -53.1 | 0 | 0 | 0 | 112.8 | D545 W549 L747 P748 Y930 M944 | D545-F547 WeakPolarHBondContact OD1-CA 3.04Å; D545-F547 PolarHBondContact OD1-N 3.48Å; F547-W549 WeakPolarHBondContact O-CZ3 3.37Å; F547-L747 HydrophobicContact CE1-CD2 4.22Å; F547-L747 HydrophobicContact CE2-CB 4.17Å; F547-L747 HydrophobicContact CE2-CD2 4.11Å; F547-L747 HydrophobicContact CZ-CB 4.37Å; F547-L747 HydrophobicContact CZ-CD2 3.74Å; F547-P748 HydrophobicContact CD2-CG 4.2Å; F547-P748 VanDerWaalsContact CE2-O 3.22Å; F547-P748 WeakPolarHBondContact CE2-O 3.16Å; F547-Y930 HydrophobicContact CZ-CE1 4.4Å; F547-M944 HydrophobicContact CD1-CB 4.09Å; F547-M944 HydrophobicContact CD1-CE 4.29Å; F547-M944 HydrophobicContact CD2-CB 4.3Å; F547-M944 HydrophobicContact CE1-CB 3.93Å; F547-M944 HydrophobicContact CE1-CE 3.21Å; F547-M944 HydrophobicContact CE1-CG 4.38Å; F547-M944 HydrophobicContact CE1-SD 4.06Å; F547-M944 HydrophobicContact CE2-CB 4.09Å; F547-M944 HydrophobicContact CG-CB 4.31Å; F547-M944 HydrophobicContact CZ-CB 3.94Å; F547-M944 HydrophobicContact CZ-CE 3.45Å; F547-M944 VanDerWaalsContact CZ-CE 3.45Å; F547-M944 HydrophobicContact CZ-CG 4.38Å |
| 548 | Q | 85.6 | Confident | 86.8 | Confident | 7 Ų | 7 | 24 Ų | 24 | 3% | 0.033 | 12% | 0.123 | C | C | . | . | trans | -92.9 | 155.4 | 174.5 | -69.3 | 169.2 | -44.5 | 0 | 0 | 112 | S543 F544 D545 T735 T737 | S543-Q548 PolarHBondContact O-OE1 3.22Å; F544-Q548 VanDerWaalsContact CA-OE1 3.3Å; F544-Q548 HydrophobicContact CD1-CB 4.09Å; D545-Q548 VanDerWaalsContact OD1-CG 3.29Å; D545-Q548 WeakPolarHBondContact OD1-CG 3.07Å; D545-Q548 PolarHBondContact OD1-N 3.41Å; D545-Q548 VanDerWaalsContact OD1-N 3.07Å; Q548-T735 VanDerWaalsContact CA-OG1 3.27Å; Q548-T735 WeakPolarHBondContact CA-OG1 3.45Å; Q548-T735 VanDerWaalsContact CG-O 3.3Å; Q548-T735 WeakPolarHBondContact CG-O 3.29Å; Q548-T735 PolarHBondContact NE2-O 3.05Å; Q548-T737 VanDerWaalsContact NE2-CG2 3.34Å; Q548-T737 PolarHBondContact NE2-OG1 3.44Å | ||
| 549 | W | 88.2 | Confident | 86.2 | Confident | 47 Ų | 47 | 17.6 Ų | 17.6 | 18% | 0.178 | 9% | 0.089 | C | C | . | . | trans | -149.2 | 166.7 | 178.7 | 62.6 | 89 | 0 | 0 | 0 | 111.4 | F547 I664 L665 N667 L672 D733 I734 T735 | F547-W549 WeakPolarHBondContact O-CZ3 3.37Å; W549-I664 HydrophobicContact CB-CG2 4.47Å; W549-L665 CarbonylContact C-O 3.56Å; W549-L665 VanDerWaalsContact CA-O 3.23Å; W549-L665 WeakPolarHBondContact CA-O 3.45Å; W549-L665 WeakPolarHBondContact CB-O 3.34Å; W549-N667 HydrophobicContact CB-CB 3.9Å; W549-L672 HydrophobicContact CD2-CD2 4.22Å; W549-L672 HydrophobicContact CE3-CD2 4.25Å; W549-L672 HydrophobicContact CH2-CD2 4.22Å; W549-L672 HydrophobicContact CZ2-CD2 4.19Å; W549-L672 HydrophobicContact CZ3-CD2 4.25Å; W549-D733 PolarHBondContact NE1-OD2 3.32Å; W549-I734 WeakPolarHBondContact O-CA 3.46Å; W549-T735 HydrophobicContact CD2-CG2 4.2Å; W549-T735 HydrophobicContact CE3-CG2 4.42Å; W549-T735 HydrophobicContact CH2-CG2 3.88Å; W549-T735 HydrophobicContact CZ2-CG2 3.61Å; W549-T735 HydrophobicContact CZ3-CG2 4.27Å; W549-T735 PolarHBondContact N-OG1 2.97Å; W549-T735 PolarHBondContact O-N 2.92Å; W549-T735 PolarHBondContact O-OG1 2.83Å | ||
| 550 | L | 92 | Very high | 85.8 | Confident | 3 Ų | 3 | 19.8 Ų | 19.8 | 2% | 0.016 | 10% | 0.097 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.1 | 116.9 | 161.5 | -175.5 | 171.2 | 0 | 0 | 0 | 107.4 | F544 I552 I664 L665 F705 L713 D733 I734 | F544-L550 HydrophobicContact CZ-CB 4.39Å; L550-I552 HydrophobicContact CD2-CD1 3.83Å; L550-I552 HydrophobicContact CD2-CG1 3.54Å; L550-I664 WeakPolarHBondContact O-CA 3.11Å; L550-L665 HydrophobicContact CB-CB 4.16Å; L550-L665 HydrophobicContact CB-CD2 4.32Å; L550-L665 HydrophobicContact CD1-CD2 4.49Å; L550-L665 PolarHBondContact N-O 3.22Å; L550-L665 PolarHBondContact O-N 2.89Å; L550-F705 HydrophobicContact CD1-CD1 4.01Å; L550-F705 HydrophobicContact CD1-CE1 4.24Å; L550-F705 HydrophobicContact CD2-CD1 4.41Å; L550-F705 HydrophobicContact CD2-CE1 3.81Å; L550-L713 HydrophobicContact CD1-CD2 3.98Å; L550-D733 CarbonylContact C-O 3.58Å; L550-D733 WeakPolarHBondContact CA-O 2.89Å; L550-I734 HydrophobicContact CB-CG1 4.23Å; L550-I734 HydrophobicContact CD1-CD1 3.83Å; L550-I734 HydrophobicContact CD1-CG1 4.31Å; L550-I734 HydrophobicContact CG-CB 4.25Å; L550-I734 HydrophobicContact CG-CD1 4.21Å; L550-I734 HydrophobicContact CG-CG1 4.16Å |
| 551 | W | 90.4 | Very high | 85.6 | Confident | 37 Ų | 37 | 18.6 Ų | 18.6 | 14% | 0.14 | 9% | 0.091 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.9 | 120.7 | -179.6 | -172 | -17.6 | 0 | 0 | 0 | 109.8 | H662 I664 E669 L672 D733 | W551-H662 AromaticContact NE1-CG 3.58Å; W551-I664 HydrophobicContact CB-CG1 4.46Å; W551-I664 HydrophobicContact CD2-CD1 4.19Å; W551-I664 HydrophobicContact CD2-CG1 4.04Å; W551-I664 HydrophobicContact CE3-CD1 4.49Å; W551-I664 HydrophobicContact CG-CG1 3.95Å; W551-I664 HydrophobicContact CH2-CD1 4.49Å; W551-I664 HydrophobicContact CZ2-CD1 4.21Å; W551-E669 HydrophobicContact CH2-CG 3.96Å; W551-E669 HydrophobicContact CZ2-CG 4.19Å; W551-L672 HydrophobicContact CE3-CD1 3.62Å; W551-L672 HydrophobicContact CH2-CD1 4.36Å; W551-L672 HydrophobicContact CZ3-CB 4.08Å; W551-L672 HydrophobicContact CZ3-CD1 3.45Å; W551-L672 VanDerWaalsContact CZ3-CD1 3.45Å; W551-L672 HydrophobicContact CZ3-CG 4.29Å; W551-D733 HydrophobicContact CB-CB 4.24Å; W551-D733 PolarHBondContact N-O 3.01Å; W551-D733 PolarHBondContact O-N 3.41Å |
| 552 | I | 91.8 | Very high | 85.3 | Confident | 0 Ų | 0 | 18.3 Ų | 18.3 | 0% | 0 | 9% | 0.089 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.3 | 117.4 | 172 | -57.5 | 152.6 | 0 | 0 | 0 | 109.6 | L550 F554 H662 L663 F705 F712 W728 L732 | L550-I552 HydrophobicContact CD2-CD1 3.83Å; L550-I552 HydrophobicContact CD2-CG1 3.54Å; I552-F554 HydrophobicContact CB-CZ 4.37Å; I552-F554 HydrophobicContact CG2-CD1 3.92Å; I552-F554 HydrophobicContact CG2-CE1 3.56Å; I552-F554 HydrophobicContact CG2-CE2 4.32Å; I552-F554 HydrophobicContact CG2-CG 4.44Å; I552-F554 HydrophobicContact CG2-CZ 3.77Å; I552-H662 CarbonylContact O-C 3.55Å; I552-H662 WeakPolarHBondContact O-CA 3.29Å; I552-H662 WeakPolarHBondContact O-CB 3.35Å; I552-L663 HydrophobicContact CD1-CD2 4.32Å; I552-L663 PolarHBondContact N-O 3.08Å; I552-L663 PolarHBondContact O-N 3.49Å; I552-F705 HydrophobicContact CD1-CE1 3.48Å; I552-F705 VanDerWaalsContact CD1-CE1 3.48Å; I552-F705 HydrophobicContact CD1-CZ 3.58Å; I552-F712 HydrophobicContact CB-CE1 4.42Å; I552-F712 HydrophobicContact CD1-CB 4.15Å; I552-F712 HydrophobicContact CD1-CD1 3.55Å; I552-F712 HydrophobicContact CD1-CD2 3.46Å; I552-F712 VanDerWaalsContact CD1-CD2 3.46Å; I552-F712 HydrophobicContact CD1-CE1 3.72Å; I552-F712 HydrophobicContact CD1-CE2 3.63Å; I552-F712 HydrophobicContact CD1-CG 3.42Å; I552-F712 VanDerWaalsContact CD1-CG 3.42Å; I552-F712 HydrophobicContact CD1-CZ 3.76Å; I552-F712 HydrophobicContact CG1-CD1 3.73Å; I552-F712 HydrophobicContact CG1-CE1 3.84Å; I552-F712 HydrophobicContact CG1-CG 4.09Å; I552-F712 HydrophobicContact CG1-CZ 4.29Å; I552-F712 HydrophobicContact CG2-CD1 4.4Å; I552-F712 HydrophobicContact CG2-CE1 3.66Å; I552-F712 HydrophobicContact CG2-CZ 3.87Å; I552-W728 HydrophobicContact CG2-CZ3 3.86Å; I552-L732 HydrophobicContact CB-CD2 4.23Å; I552-L732 HydrophobicContact CG1-CD2 3.61Å; I552-L732 HydrophobicContact CG2-CD2 4.2Å |
| 553 | K | 87.1 | Confident | 85.2 | Confident | 46 Ų | 46 | 18.3 Ų | 18.3 | 20% | 0.2 | 9% | 0.089 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -92.9 | 108.1 | 171.6 | -61.8 | 174.7 | -177.3 | 171.1 | 0 | 108.9 | K731 M971 D980 | K553-K731 HydrophobicContact CB-CB 4.44Å; K553-K731 PolarHBondContact N-O 3.28Å; K553-K731 WeakPolarHBondContact O-CB 3.31Å; K553-K731 VanDerWaalsContact O-CD 3.3Å; K553-K731 WeakPolarHBondContact O-CD 3.06Å; K553-K731 WeakPolarHBondContact O-CG 2.97Å; K553-M971 PolarHBondContact NZ-SD 2.98Å; K553-D980 IonicContact NZ-OD2 3.22Å; K553-D980 PolarHBondContact NZ-OD2 3.05Å |
| 554 | F | 85.2 | Confident | 85.2 | Confident | 21 Ų | 21 | 18 Ų | 18 | 9% | 0.092 | 9% | 0.087 | C | C | . | . | trans | -77.2 | -49.6 | 179.2 | -63.6 | -67.9 | 0 | 0 | 0 | 111.6 | I552 I559 H660 R661 L663 F707 F712 W728 K731 | I552-F554 HydrophobicContact CB-CZ 4.37Å; I552-F554 HydrophobicContact CG2-CD1 3.92Å; I552-F554 HydrophobicContact CG2-CE1 3.56Å; I552-F554 HydrophobicContact CG2-CE2 4.32Å; I552-F554 HydrophobicContact CG2-CG 4.44Å; I552-F554 HydrophobicContact CG2-CZ 3.77Å; F554-I559 HydrophobicContact CB-CD1 3.97Å; F554-I559 HydrophobicContact CD2-CD1 4.37Å; F554-I559 HydrophobicContact CG-CD1 4.19Å; F554-H660 AromaticContact CD2-CE1 3.65Å; F554-H660 AromaticContact CD2-ND1 3.69Å; F554-H660 AromaticContact CE2-CE1 3.62Å; F554-H660 AromaticContact CE2-ND1 3.79Å; F554-R661 WeakPolarHBondContact CB-O 3.36Å; F554-R661 PolarHBondContact N-O 2.97Å; F554-L663 HydrophobicContact CE2-CB 3.75Å; F554-L663 HydrophobicContact CZ-CB 4.17Å; F554-F707 HydrophobicContact CE1-CD1 4.28Å; F554-F707 HydrophobicContact CE1-CE1 4.29Å; F554-F707 HydrophobicContact CE2-CE1 4.07Å; F554-F707 AromaticContact CZ-CD1 3.67Å; F554-F707 HydrophobicContact CZ-CD1 3.67Å; F554-F707 AromaticContact CZ-CE1 3.56Å; F554-F707 HydrophobicContact CZ-CE1 3.56Å; F554-F712 AromaticContact CE1-CZ 3.94Å; F554-F712 HydrophobicContact CE1-CZ 3.94Å; F554-F712 HydrophobicContact CZ-CZ 4.44Å; F554-W728 HydrophobicContact CD1-CH2 4.24Å; F554-W728 HydrophobicContact CD1-CZ3 4.37Å; F554-W728 HydrophobicContact CE1-CH2 4.35Å; F554-K731 PolarHBondContact O-NZ 3.07Å; F554-K731 VanDerWaalsContact O-NZ 3.12Å | ||
| 555 | S | 77.4 | Confident | 85.4 | Confident | 14 Ų | 14 | 20.3 Ų | 20.3 | 10% | 0.098 | 10% | 0.098 | C | C | . | . | trans | -153.9 | 148.3 | -173.7 | 175 | 0 | 0 | 0 | 0 | 111.6 | L557 R661 | S555-L557 WeakPolarHBondContact CB-O 3.16Å; S555-L557 PolarHBondContact O-N 3.46Å; S555-L557 PolarHBondContact OG-N 2.65Å; S555-L557 VanDerWaalsContact OG-N 3.1Å; S555-L557 PolarHBondContact OG-O 2.96Å; S555-R661 PolarHBondContact N-O 3.21Å | ||
| 556 | P | 75.5 | Confident | 85.9 | Confident | 41 Ų | 41 | 19.4 Ų | 19.4 | 27% | 0.266 | 9% | 0.093 | S | C | . | . | S | Bend | trans | -79.3 | 7.3 | 170.4 | 37.8 | -39.8 | 0 | 0 | 0 | 113.4 | R661 I1166 V1177 | P556-R661 VanDerWaalsContact CA-NH2 3.3Å; P556-R661 PolarHBondContact O-NH1 2.82Å; P556-R661 PolarHBondContact O-NH2 3.07Å; P556-I1166 HydrophobicContact CB-CD1 4.35Å; P556-I1166 HydrophobicContact CB-CG1 3.7Å; P556-I1166 HydrophobicContact CG-CG1 4.22Å; P556-V1177 HydrophobicContact CG-CG1 3.76Å |
| 557 | L | 78.4 | Confident | 86.5 | Confident | 13 Ų | 13 | 19.7 Ų | 19.7 | 7% | 0.068 | 10% | 0.095 | C | C | . | . | S | Bend | trans | -129.9 | 151.3 | 164.9 | -73.8 | 177 | 0 | 0 | 0 | 109 | S555 I559 R661 L1012 I1166 P1178 I1180 | S555-L557 WeakPolarHBondContact CB-O 3.16Å; S555-L557 PolarHBondContact O-N 3.46Å; S555-L557 PolarHBondContact OG-N 2.65Å; S555-L557 VanDerWaalsContact OG-N 3.1Å; S555-L557 PolarHBondContact OG-O 2.96Å; L557-I559 PolarHBondContact O-N 2.81Å; L557-R661 VanDerWaalsContact CA-NH1 3.34Å; L557-L1012 HydrophobicContact CD2-CD2 4.36Å; L557-I1166 HydrophobicContact CD2-CD1 4.1Å; L557-I1166 HydrophobicContact CG-CD1 4.28Å; L557-P1178 VanDerWaalsContact CD1-O 3.25Å; L557-P1178 WeakPolarHBondContact CD1-O 2.96Å; L557-I1180 HydrophobicContact CD1-CD1 3.97Å; L557-I1180 HydrophobicContact CD1-CG1 3.93Å; L557-I1180 HydrophobicContact CD2-CD1 4.43Å; L557-I1180 HydrophobicContact CG-CD1 4.38Å |
| 558 | P | 79.5 | Confident | 87.4 | Confident | 18 Ų | 18 | 18.1 Ų | 18.1 | 12% | 0.117 | 9% | 0.088 | C | C | . | . | trans | -58.2 | 134.9 | 177 | 18.9 | -26.2 | 0 | 0 | 0 | 111.6 | L587 S659 H660 R661 | P558-L587 HydrophobicContact CB-CD1 3.94Å; P558-L587 HydrophobicContact CG-CD1 4.28Å; P558-L587 HydrophobicContact CG-CD2 4.28Å; P558-S659 VanDerWaalsContact CB-OG 3.25Å; P558-S659 WeakPolarHBondContact CB-OG 3.33Å; P558-H660 WeakPolarHBondContact CA-O 3.22Å; P558-R661 HydrophobicContact CB-CG 4.14Å | ||
| 559 | I | 79.1 | Confident | 87.9 | Confident | 4 Ų | 4 | 18.9 Ų | 18.9 | 2% | 0.021 | 9% | 0.09 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -97 | 143.4 | 168.4 | 58.4 | 163.4 | 0 | 0 | 0 | 107.9 | N445 F554 L557 S659 H660 | N445-I559 HydrophobicContact CB-CB 4.06Å; N445-I559 HydrophobicContact CB-CD1 4.38Å; N445-I559 HydrophobicContact CB-CG2 3.48Å; N445-I559 VanDerWaalsContact CB-CG2 3.48Å; F554-I559 HydrophobicContact CB-CD1 3.97Å; F554-I559 HydrophobicContact CD2-CD1 4.37Å; F554-I559 HydrophobicContact CG-CD1 4.19Å; L557-I559 PolarHBondContact O-N 2.81Å; I559-S659 WeakPolarHBondContact O-CA 3.43Å; I559-H660 WeakPolarHBondContact CG1-O 3.16Å; I559-H660 PolarHBondContact N-O 2.82Å; I559-H660 PolarHBondContact O-N 3.43Å |
| 560 | Q | 82.5 | Confident | 88.2 | Confident | 71 Ų | 71 | 16.6 Ų | 16.6 | 33% | 0.332 | 8% | 0.082 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.8 | 134.3 | 177.7 | -76.7 | -179.7 | -21.5 | 0 | 0 | 109 | P450 L658 | P450-Q560 HydrophobicContact CB-CB 4.23Å; P450-Q560 WeakPolarHBondContact CB-O 3.2Å; P450-Q560 HydrophobicContact CG-CB 3.51Å; P450-Q560 WeakPolarHBondContact CG-O 3.41Å; Q560-L658 WeakPolarHBondContact CA-O 3.36Å |
| 561 | S | 86.3 | Confident | 88.3 | Confident | 0 Ų | 0 | 18.4 Ų | 18.4 | 0% | 0 | 9% | 0.089 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -135.4 | 140 | 177.9 | 52.1 | 0 | 0 | 0 | 0 | 110.9 | E564 R633 Y657 L658 | S561-E564 VanDerWaalsContact CB-OE1 3.27Å; S561-E564 WeakPolarHBondContact CB-OE1 3.04Å; S561-E564 PolarHBondContact OG-OE1 2.74Å; S561-R633 PolarHBondContact O-NH2 3.14Å; S561-Y657 CarbonylContact O-C 3.6Å; S561-Y657 VanDerWaalsContact O-CA 3.24Å; S561-Y657 WeakPolarHBondContact O-CA 3.46Å; S561-L658 PolarHBondContact N-O 3.49Å; S561-L658 VanDerWaalsContact N-O 3.1Å; S561-L658 PolarHBondContact O-N 2.94Å |
| 562 | S | 87 | Confident | 88.5 | Confident | 1 Ų | 1 | 16.8 Ų | 16.8 | 1% | 0.007 | 8% | 0.082 | C | C | . | . | S | Bend | trans | -96.1 | 1.3 | 169.3 | 68 | 0 | 0 | 0 | 0 | 112.9 | P450 W453 R633 Q635 | P450-S562 WeakPolarHBondContact O-CB 2.99Å; P450-S562 PolarHBondContact O-N 2.95Å; P450-S562 PolarHBondContact O-OG 2.88Å; W453-S562 PolarHBondContact NE1-OG 2.86Å; S562-R633 VanDerWaalsContact C-CZ 3.45Å; S562-R633 PolarHBondContact O-NH1 2.85Å; S562-R633 PolarHBondContact O-NH2 3.3Å; S562-Q635 WeakPolarHBondContact O-CA 3.42Å; S562-Q635 PolarHBondContact O-N 2.86Å |
| 563 | V | 90.9 | Very high | 88.4 | Confident | 0 Ų | 0 | 21.6 Ų | 21.6 | 0% | 0 | 10% | 0.104 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -145.3 | 139.8 | -177.6 | -62.7 | 0 | 0 | 0 | 0 | 111.3 | W453 Q456 L457 R633 | W453-V563 HydrophobicContact CB-CG1 4.07Å; W453-V563 HydrophobicContact CB-CG2 4.06Å; W453-V563 VanDerWaalsContact CD1-CG1 3.43Å; W453-V563 HydrophobicContact CD2-CG1 3.41Å; W453-V563 VanDerWaalsContact CD2-CG1 3.41Å; W453-V563 HydrophobicContact CE3-CG1 4.06Å; W453-V563 HydrophobicContact CG-CB 4.43Å; W453-V563 HydrophobicContact CG-CG1 3.4Å; W453-V563 HydrophobicContact CG-CG2 4.13Å; W453-V563 HydrophobicContact CZ2-CG1 4.25Å; Q456-V563 HydrophobicContact CB-CG2 3.97Å; L457-V563 HydrophobicContact CD1-CB 4.31Å; L457-V563 HydrophobicContact CD1-CG2 4.02Å; L457-V563 HydrophobicContact CD2-CB 4.35Å; L457-V563 HydrophobicContact CD2-CG2 4Å; L457-V563 HydrophobicContact CG-CB 4.4Å; L457-V563 HydrophobicContact CG-CG2 3.74Å; V563-R633 WeakPolarHBondContact CA-O 3.47Å |
| 564 | E | 92.4 | Very high | 88.4 | Confident | 2 Ų | 2 | 21.2 Ų | 21.2 | 1% | 0.009 | 10% | 0.101 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -136.1 | 151.9 | 168.2 | -65.5 | 78.6 | -133.1 | 0 | 0 | 110.3 | S561 L593 Y606 R633 R634 L658 F707 N708 | S561-E564 VanDerWaalsContact CB-OE1 3.27Å; S561-E564 WeakPolarHBondContact CB-OE1 3.04Å; S561-E564 PolarHBondContact OG-OE1 2.74Å; E564-L593 HydrophobicContact CB-CD2 4.45Å; E564-L593 HydrophobicContact CG-CD2 4.43Å; E564-Y606 PolarHBondContact OE2-OH 3.32Å; E564-R633 PolarHBondContact N-O 2.96Å; E564-R633 PolarHBondContact O-N 2.78Å; E564-R633 IonicContact OE1-CZ 2.7Å; E564-R633 IonicContact OE1-NE 2.7Å; E564-R633 IonicContact OE1-NH2 3.76Å; E564-R633 PolarHBondContact OE1-NH2 2.91Å; E564-R633 IonicContact OE2-CZ 3.73Å; E564-R633 VanDerWaalsContact OE2-CZ 3.23Å; E564-R633 IonicContact OE2-NE 3.21Å; E564-R633 PolarHBondContact OE2-NE 3.43Å; E564-R633 IonicContact OE2-NH2 2.71Å; E564-R633 PolarHBondContact OE2-NH2 3.4Å; E564-R634 PolarHBondContact O-NH1 2.88Å; E564-R634 VanDerWaalsContact O-NH1 3.09Å; E564-L658 HydrophobicContact CG-CD2 3.94Å; E564-F707 HydrophobicContact CB-CE2 4.34Å; E564-F707 HydrophobicContact CG-CE2 4.33Å; E564-F707 HydrophobicContact CG-CZ 4.3Å; E564-N708 WeakPolarHBondContact CA-OD1 3.25Å |
| 565 | E | 95.2 | Very high | 88.5 | Confident | 49 Ų | 49 | 25.2 Ų | 25.2 | 23% | 0.229 | 12% | 0.12 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -138.2 | 113.1 | 173.4 | -177.3 | 160.8 | 159.9 | 0 | 0 | 109.1 | L457 I631 Y632 R634 F707 N708 | L457-E565 HydrophobicContact CD2-CB 3.77Å; E565-I631 WeakPolarHBondContact CA-O 3.3Å; E565-Y632 HydrophobicContact CB-CD1 4.34Å; E565-Y632 HydrophobicContact CG-CD1 3.64Å; E565-Y632 HydrophobicContact CG-CE1 3.52Å; E565-Y632 WeakPolarHBondContact OE1-CE1 3.42Å; E565-R634 IonicContact OE2-NH2 3.64Å; E565-R634 PolarHBondContact OE2-NH2 2.84Å; E565-F707 CarbonylContact O-C 3.58Å; E565-F707 WeakPolarHBondContact O-CA 3.07Å; E565-N708 PolarHBondContact N-OD1 3.01Å; E565-N708 PolarHBondContact O-N 2.79Å |
| 566 | L | 96.6 | Very high | 88.9 | Confident | 1 Ų | 1 | 28.3 Ų | 28.3 | 1% | 0.005 | 14% | 0.136 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.5 | 127 | -180 | 172.2 | 66.7 | 0 | 0 | 0 | 108.7 | L580 K630 I631 F705 L706 F707 | L566-L580 HydrophobicContact CD1-CD1 3.79Å; L566-L580 HydrophobicContact CD2-CD1 3.85Å; L566-L580 HydrophobicContact CD2-CD2 4.26Å; L566-K630 CarbonylContact O-C 3.57Å; L566-K630 WeakPolarHBondContact O-CA 3.37Å; L566-I631 HydrophobicContact CB-CB 4.27Å; L566-I631 HydrophobicContact CD2-CD1 4.06Å; L566-I631 PolarHBondContact N-O 2.88Å; L566-I631 PolarHBondContact O-N 3.15Å; L566-F705 HydrophobicContact CD1-CD2 4.11Å; L566-F705 HydrophobicContact CD1-CE2 3.83Å; L566-L706 WeakPolarHBondContact CA-O 3.14Å; L566-F707 HydrophobicContact CB-CD2 4.18Å; L566-F707 HydrophobicContact CD1-CB 4.37Å; L566-F707 HydrophobicContact CD1-CD2 4.19Å |
| 567 | T | 96.9 | Very high | 89.3 | Confident | 6 Ų | 6 | 26.5 Ų | 26.5 | 4% | 0.037 | 12% | 0.124 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.3 | 123.3 | 167.4 | -62.6 | 0 | 0 | 0 | 0 | 109.3 | T628 V629 K630 V704 L706 | T567-T628 HydrophobicContact CG2-CG2 4.14Å; T567-V629 CarbonylContact C-O 3.59Å; T567-V629 WeakPolarHBondContact CA-O 3.3Å; T567-K630 HydrophobicContact CG2-CG 4.07Å; T567-V704 HydrophobicContact CG2-CG1 4.22Å; T567-L706 HydrophobicContact CG2-CD1 4.43Å; T567-L706 PolarHBondContact N-O 3.2Å; T567-L706 PolarHBondContact O-N 2.89Å |
| 568 | L | 96.7 | Very high | 89.6 | Confident | 0 Ų | 0 | 26.3 Ų | 26.3 | 0% | 0 | 12% | 0.123 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.6 | 122.2 | -177.1 | -174.6 | 73.9 | 0 | 0 | 0 | 109.5 | F570 L579 L595 V629 L665 I702 V704 F705 | L568-F570 HydrophobicContact CD2-CD1 3.9Å; L568-F570 HydrophobicContact CD2-CE1 4.44Å; L568-F570 HydrophobicContact CG-CD1 4.08Å; L568-L579 HydrophobicContact CD2-CD1 3.81Å; L568-L579 HydrophobicContact CD2-CD2 3.46Å; L568-L579 VanDerWaalsContact CD2-CD2 3.46Å; L568-L579 HydrophobicContact CD2-CG 3.48Å; L568-L579 VanDerWaalsContact CD2-CG 3.48Å; L568-L595 HydrophobicContact CD2-CD2 4.18Å; L568-V629 HydrophobicContact CB-CB 4.46Å; L568-V629 PolarHBondContact N-O 2.91Å; L568-V629 PolarHBondContact O-N 2.89Å; L568-L665 HydrophobicContact CD1-CD1 4Å; L568-L665 HydrophobicContact CD2-CD1 4.42Å; L568-I702 HydrophobicContact CD1-CD1 4.33Å; L568-I702 HydrophobicContact CD1-CG2 3.71Å; L568-V704 CarbonylContact C-O 3.56Å; L568-V704 VanDerWaalsContact CA-O 3.31Å; L568-V704 WeakPolarHBondContact CA-O 3.32Å; L568-V704 WeakPolarHBondContact CD1-O 3.32Å; L568-F705 HydrophobicContact CD1-CB 4.16Å; L568-F705 HydrophobicContact CD1-CD2 4.11Å; L568-F705 HydrophobicContact CD1-CG 4.37Å |
| 569 | R | 96.3 | Very high | 90.2 | Very high | 22 Ų | 22 | 25.5 Ų | 25.5 | 8% | 0.083 | 12% | 0.117 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.6 | 115.4 | 171.7 | -173.5 | 170.9 | -179.5 | 71 | -1.2 | 109.3 | S526 T528 N529 W626 H627 T628 M703 V704 | S526-R569 WeakPolarHBondContact O-CD 3.23Å; T528-R569 PolarHBondContact O-NE 2.94Å; N529-R569 PolarHBondContact OD1-NE 2.85Å; N529-R569 PolarHBondContact OD1-NH2 2.74Å; R569-W626 HydrophobicContact CG-CE3 3.99Å; R569-H627 CarbonylContact C-O 3.55Å; R569-H627 VanDerWaalsContact CA-O 3.26Å; R569-H627 WeakPolarHBondContact CA-O 3.39Å; R569-T628 WeakPolarHBondContact CG-OG1 3.34Å; R569-T628 PolarHBondContact NH1-OG1 2.83Å; R569-M703 HydrophobicContact CB-CB 4.45Å; R569-M703 HydrophobicContact CG-CB 4.41Å; R569-M703 PolarHBondContact O-N 2.8Å; R569-V704 HydrophobicContact CB-CB 3.66Å; R569-V704 HydrophobicContact CB-CG2 3.83Å; R569-V704 PolarHBondContact N-O 2.73Å; R569-V704 PolarHBondContact O-N 2.53Å |
| 570 | F | 95.9 | Very high | 90.9 | Very high | 0 Ų | 0 | 25.3 Ų | 25.3 | 0% | 0 | 12% | 0.116 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -139.8 | 167.3 | -174.6 | 74.8 | -86.4 | 0 | 0 | 0 | 112.2 | L568 T572 L579 I597 L602 I621 W626 H627 V629 F698 Y701 I702 | L568-F570 HydrophobicContact CD2-CD1 3.9Å; L568-F570 HydrophobicContact CD2-CE1 4.44Å; L568-F570 HydrophobicContact CG-CD1 4.08Å; F570-T572 HydrophobicContact CD2-CG2 4.16Å; F570-T572 HydrophobicContact CE2-CG2 3.81Å; F570-L579 HydrophobicContact CD1-CD2 3.76Å; F570-L579 HydrophobicContact CD2-CD2 4.31Å; F570-L579 HydrophobicContact CE1-CD2 3.47Å; F570-L579 VanDerWaalsContact CE1-CD2 3.47Å; F570-L579 HydrophobicContact CE2-CD2 4.09Å; F570-L579 HydrophobicContact CG-CD2 4.16Å; F570-L579 HydrophobicContact CZ-CD2 3.66Å; F570-I597 HydrophobicContact CE2-CD1 4.15Å; F570-L602 HydrophobicContact CZ-CD1 4.37Å; F570-I621 HydrophobicContact CE2-CD1 3.91Å; F570-I621 HydrophobicContact CZ-CB 4.48Å; F570-I621 HydrophobicContact CZ-CD1 3.57Å; F570-W626 WeakPolarHBondContact O-CA 3.48Å; F570-H627 PolarHBondContact N-O 3.39Å; F570-H627 PolarHBondContact O-N 2.97Å; F570-V629 HydrophobicContact CD1-CG2 4.33Å; F570-V629 HydrophobicContact CE1-CG2 3.56Å; F570-V629 HydrophobicContact CZ-CG2 4.48Å; F570-F698 HydrophobicContact CB-CZ 4.14Å; F570-F698 AromaticContact CD2-CE2 3.85Å; F570-F698 HydrophobicContact CD2-CE2 3.85Å; F570-F698 AromaticContact CD2-CZ 3.92Å; F570-F698 HydrophobicContact CD2-CZ 3.92Å; F570-F698 HydrophobicContact CE2-CE2 4.38Å; F570-F698 HydrophobicContact CG-CZ 4.36Å; F570-Y701 CarbonylContact C-O 3.6Å; F570-Y701 WeakPolarHBondContact CA-O 3.39Å; F570-Y701 VanDerWaalsContact CB-O 3.3Å; F570-Y701 WeakPolarHBondContact CB-O 3.03Å; F570-I702 HydrophobicContact CB-CG1 4.1Å |
| 571 | R | 94.3 | Very high | 91.4 | Very high | 41 Ų | 41 | 22 Ų | 22 | 16% | 0.155 | 10% | 0.101 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -140.7 | 131.4 | 179.7 | 178.7 | 177.9 | 96.5 | 98.3 | 7.1 | 109.4 | D624 Q625 W626 G700 Y701 | R571-D624 VanDerWaalsContact CD-O 3.28Å; R571-D624 WeakPolarHBondContact CD-O 3.32Å; R571-D624 WeakPolarHBondContact CG-O 3.45Å; R571-D624 IonicContact CZ-OD1 2.71Å; R571-D624 IonicContact CZ-OD2 3.07Å; R571-D624 IonicContact NE-OD1 3.81Å; R571-D624 PolarHBondContact NH1-O 2.71Å; R571-D624 VanDerWaalsContact NH1-O 3.1Å; R571-D624 IonicContact NH1-OD1 3.86Å; R571-D624 PolarHBondContact NH1-OD1 2.73Å; R571-D624 IonicContact NH1-OD2 3.58Å; R571-D624 PolarHBondContact NH1-OD2 2.8Å; R571-D624 IonicContact NH2-OD1 3.76Å; R571-Q625 WeakPolarHBondContact CA-O 3.37Å; R571-Q625 WeakPolarHBondContact CB-O 3.01Å; R571-Q625 WeakPolarHBondContact CG-O 3.24Å; R571-W626 HydrophobicContact CB-CD2 3.9Å; R571-W626 HydrophobicContact CB-CE3 3.76Å; R571-W626 HydrophobicContact CB-CG 4.46Å; R571-W626 HydrophobicContact CB-CH2 4.31Å; R571-W626 HydrophobicContact CB-CZ2 4.45Å; R571-W626 HydrophobicContact CB-CZ3 3.97Å; R571-G700 CarbonylContact O-C 3.57Å; R571-G700 VanDerWaalsContact O-CA 3.23Å; R571-G700 WeakPolarHBondContact O-CA 3.02Å; R571-Y701 PolarHBondContact N-O 2.83Å; R571-Y701 PolarHBondContact O-N 3.1Å |
| 572 | T | 93.2 | Very high | 91.7 | Very high | 2 Ų | 2 | 22 Ų | 22 | 1% | 0.012 | 10% | 0.101 | C | C | . | . | trans | -154.1 | 158.8 | 179 | -172.8 | 0 | 0 | 0 | 0 | 111.6 | F570 Y574 I597 A622 D624 F698 I699 | F570-T572 HydrophobicContact CD2-CG2 4.16Å; F570-T572 HydrophobicContact CE2-CG2 3.81Å; T572-Y574 PolarHBondContact OG1-N 3.2Å; T572-I597 HydrophobicContact CG2-CD1 3.67Å; T572-A622 CarbonylContact O-C 3.51Å; T572-D624 VanDerWaalsContact O-CA 3.31Å; T572-D624 WeakPolarHBondContact O-CA 3.42Å; T572-D624 PolarHBondContact O-N 3.33Å; T572-F698 HydrophobicContact CG2-CE2 4.35Å; T572-I699 WeakPolarHBondContact CB-O 3.1Å; T572-I699 PolarHBondContact OG1-O 2.76Å | ||
| 573 | K | 89.7 | Confident | 91.7 | Very high | 102 Ų | 102 | 25 Ų | 25 | 44% | 0.443 | 11% | 0.112 | S | C | . | . | trans | -113 | -0.2 | 173.4 | 70.9 | -176.4 | -166.8 | -163.7 | 0 | 112.7 | D624 E746 | K573-D624 HydrophobicContact CB-CB 4.27Å; K573-E746 WeakPolarHBondContact CE-OE1 2.79Å; K573-E746 WeakPolarHBondContact CE-OE2 3.34Å; K573-E746 IonicContact NZ-OE1 3.07Å; K573-E746 PolarHBondContact NZ-OE1 3.38Å; K573-E746 IonicContact NZ-OE2 3.48Å; K573-E746 PolarHBondContact NZ-OE2 2.93Å | ||
| 574 | Y | 87.5 | Confident | 91.5 | Very high | 37 Ų | 37 | 25.5 Ų | 25.5 | 15% | 0.145 | 12% | 0.116 | C | C | . | . | trans | -93.5 | 128.8 | -173.6 | -76 | -96.4 | 0 | 0 | 0 | 110.5 | T572 D576 A622 I699 E746 | T572-Y574 PolarHBondContact OG1-N 3.2Å; Y574-D576 VanDerWaalsContact C-N 3.28Å; Y574-D576 PolarHBondContact O-N 3.17Å; Y574-A622 WeakPolarHBondContact O-CB 3.36Å; Y574-I699 HydrophobicContact CD1-CD1 4.05Å; Y574-I699 HydrophobicContact CD2-CB 3.64Å; Y574-I699 HydrophobicContact CD2-CD1 4.22Å; Y574-I699 HydrophobicContact CD2-CG2 3.87Å; Y574-I699 HydrophobicContact CE1-CD1 3.59Å; Y574-I699 HydrophobicContact CE2-CB 3.56Å; Y574-I699 HydrophobicContact CE2-CD1 3.79Å; Y574-I699 HydrophobicContact CE2-CG1 4.3Å; Y574-I699 HydrophobicContact CE2-CG2 3.33Å; Y574-I699 HydrophobicContact CG-CB 4.3Å; Y574-I699 HydrophobicContact CG-CD1 4.33Å; Y574-I699 VanDerWaalsContact CZ-CD1 3.43Å; Y574-E746 VanDerWaalsContact OH-CD 3.23Å; Y574-E746 PolarHBondContact OH-OE2 3.36Å | ||
| 575 | E | 87.4 | Confident | 90.9 | Very high | 106 Ų | 106 | 26.1 Ų | 26.1 | 50% | 0.495 | 12% | 0.12 | S | C | . | . | S | Bend | trans | -73.3 | -20.4 | 179.9 | -69 | -178.3 | -179 | 0 | 0 | 112.8 | I597 I598 S599 G600 A622 | E575-I597 VanDerWaalsContact O-CG2 3.31Å; E575-I597 WeakPolarHBondContact O-CG2 3.1Å; E575-I598 CarbonylContact O-C 3.57Å; E575-S599 CarbonylContact O-C 3.59Å; E575-S599 WeakPolarHBondContact O-CA 3.37Å; E575-S599 PolarHBondContact O-N 2.04Å; E575-G600 PolarHBondContact O-N 3.07Å; E575-A622 HydrophobicContact CG-CB 4.11Å |
| 576 | D | 85.5 | Confident | 90.3 | Very high | 79 Ų | 79 | 24.2 Ų | 24.2 | 42% | 0.422 | 11% | 0.112 | S | C | . | . | S | Bend | trans | -132.5 | 137.7 | 176.7 | -60.9 | -60.5 | 0 | 0 | 0 | 110.4 | Y574 I597 I598 S599 | Y574-D576 VanDerWaalsContact C-N 3.28Å; Y574-D576 PolarHBondContact O-N 3.17Å; D576-I597 WeakPolarHBondContact CA-O 3Å; D576-I598 WeakPolarHBondContact OD1-CA 3.46Å; D576-S599 PolarHBondContact OD1-N 3.38Å |
| 577 | G | 83.7 | Confident | 89.6 | Confident | 2 Ų | 2 | 24.9 Ų | 24.9 | 2% | 0.021 | 12% | 0.115 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 178.6 | 152.9 | -178.3 | 0 | 0 | 0 | 0 | 0 | 113.8 | K596 I597 V697 | G577-K596 WeakPolarHBondContact O-CA 3.09Å; G577-I597 PolarHBondContact N-O 3.04Å; G577-I597 VanDerWaalsContact N-O 3.1Å; G577-I597 PolarHBondContact O-N 2.98Å; G577-V697 WeakPolarHBondContact CA-O 3.5Å |
| 578 | F | 85.4 | Confident | 88.9 | Confident | 10 Ų | 10 | 25.3 Ų | 25.3 | 4% | 0.044 | 12% | 0.118 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -100.5 | 111.5 | 178.8 | -170.9 | -87.5 | 0 | 0 | 0 | 110.9 | T581 E594 K596 N667 H696 F698 | F578-T581 HydrophobicContact CE1-CG2 3.47Å; F578-T581 VanDerWaalsContact CE1-CG2 3.47Å; F578-T581 HydrophobicContact CZ-CG2 3.32Å; F578-E594 VanDerWaalsContact CE2-CD 3.41Å; F578-E594 HydrophobicContact CE2-CG 3.82Å; F578-E594 VanDerWaalsContact CE2-OE2 3.3Å; F578-E594 WeakPolarHBondContact CE2-OE2 3.47Å; F578-E594 HydrophobicContact CZ-CG 4.12Å; F578-K596 HydrophobicContact CD2-CD 4.32Å; F578-K596 VanDerWaalsContact CD2-CE 3.45Å; F578-K596 HydrophobicContact CD2-CG 3.9Å; F578-K596 HydrophobicContact CE2-CG 4.46Å; F578-N667 VanDerWaalsContact CD1-O 3.29Å; F578-N667 WeakPolarHBondContact CD1-O 3.44Å; F578-N667 WeakPolarHBondContact CE1-O 3.35Å; F578-H696 HydrophobicContact CB-CB 4.06Å; F578-H696 WeakPolarHBondContact CB-O 3.25Å; F578-F698 VanDerWaalsContact O-CB 3.29Å; F578-F698 WeakPolarHBondContact O-CB 3.31Å; F578-F698 PolarHBondContact O-N 2.52Å |
| 579 | L | 91.5 | Very high | 87.9 | Confident | 0 Ų | 0 | 27.2 Ų | 27.2 | 0% | 0 | 13% | 0.134 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -89.7 | -51.3 | -171.9 | -171 | 47.4 | 0 | 0 | 0 | 111.4 | L568 F570 L595 L602 L665 G666 F698 I702 | L568-L579 HydrophobicContact CD2-CD1 3.81Å; L568-L579 HydrophobicContact CD2-CD2 3.46Å; L568-L579 VanDerWaalsContact CD2-CD2 3.46Å; L568-L579 HydrophobicContact CD2-CG 3.48Å; L568-L579 VanDerWaalsContact CD2-CG 3.48Å; F570-L579 HydrophobicContact CD1-CD2 3.76Å; F570-L579 HydrophobicContact CD2-CD2 4.31Å; F570-L579 HydrophobicContact CE1-CD2 3.47Å; F570-L579 VanDerWaalsContact CE1-CD2 3.47Å; F570-L579 HydrophobicContact CE2-CD2 4.09Å; F570-L579 HydrophobicContact CG-CD2 4.16Å; F570-L579 HydrophobicContact CZ-CD2 3.66Å; L579-L595 HydrophobicContact CB-CB 4.37Å; L579-L595 HydrophobicContact CB-CD2 4.39Å; L579-L595 WeakPolarHBondContact CB-O 3.31Å; L579-L595 HydrophobicContact CD2-CD2 3.65Å; L579-L595 HydrophobicContact CD2-CG 4.42Å; L579-L595 HydrophobicContact CG-CD2 4.09Å; L579-L595 PolarHBondContact N-O 2.02Å; L579-L602 HydrophobicContact CD2-CD1 4.22Å; L579-L665 HydrophobicContact CD1-CD1 4.43Å; L579-L665 CarbonylContact O-C 3.54Å; L579-L665 WeakPolarHBondContact O-CA 3.32Å; L579-L665 VanDerWaalsContact O-CD1 3.29Å; L579-L665 WeakPolarHBondContact O-CD1 3.22Å; L579-G666 PolarHBondContact O-N 3.1Å; L579-F698 HydrophobicContact CD1-CD1 4.14Å; L579-F698 HydrophobicContact CD1-CD2 3.6Å; L579-F698 HydrophobicContact CD1-CE1 4.23Å; L579-F698 HydrophobicContact CD1-CE2 3.67Å; L579-F698 HydrophobicContact CD1-CG 3.84Å; L579-F698 HydrophobicContact CD1-CZ 4Å; L579-I702 HydrophobicContact CD1-CD1 4.28Å |
| 580 | L | 94.5 | Very high | 87.1 | Confident | 0 Ų | 0 | 28 Ų | 28 | 0% | 0 | 14% | 0.142 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -151.7 | 145.4 | -173.3 | -176 | 147.5 | 0 | 0 | 0 | 112.1 | L566 E594 L595 L663 I664 L665 F705 | L566-L580 HydrophobicContact CD1-CD1 3.79Å; L566-L580 HydrophobicContact CD2-CD1 3.85Å; L566-L580 HydrophobicContact CD2-CD2 4.26Å; L580-E594 CarbonylContact O-C 3.51Å; L580-E594 VanDerWaalsContact O-CA 3.28Å; L580-E594 WeakPolarHBondContact O-CA 3.3Å; L580-E594 WeakPolarHBondContact O-CG 3.4Å; L580-L595 HydrophobicContact CB-CB 4.08Å; L580-L595 PolarHBondContact N-O 3.01Å; L580-L595 PolarHBondContact O-N 3.25Å; L580-L663 HydrophobicContact CD1-CD1 4.1Å; L580-L663 HydrophobicContact CD1-CD2 3.68Å; L580-L663 HydrophobicContact CD1-CG 4.17Å; L580-L663 HydrophobicContact CD2-CD1 4.29Å; L580-L663 HydrophobicContact CD2-CD2 4.39Å; L580-L663 HydrophobicContact CD2-CG 4.15Å; L580-L663 HydrophobicContact CG-CD1 4.42Å; L580-L663 HydrophobicContact CG-CD2 3.75Å; L580-L663 HydrophobicContact CG-CG 4.06Å; L580-I664 CarbonylContact C-O 3.59Å; L580-I664 VanDerWaalsContact CA-O 3.32Å; L580-I664 WeakPolarHBondContact CA-O 3.07Å; L580-L665 HydrophobicContact CB-CD1 4.13Å; L580-L665 HydrophobicContact CD1-CD1 3.97Å; L580-L665 HydrophobicContact CG-CD1 4.45Å; L580-F705 HydrophobicContact CD1-CE2 3.94Å; L580-F705 HydrophobicContact CD1-CZ 4.45Å |
| 581 | T | 93 | Very high | 86.7 | Confident | 1 Ų | 1 | 28.9 Ų | 28.9 | 1% | 0.006 | 15% | 0.147 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -150.1 | 157.7 | 167.7 | -163.4 | 0 | 0 | 0 | 0 | 113.9 | F578 R583 L593 E594 L663 I664 | F578-T581 HydrophobicContact CE1-CG2 3.47Å; F578-T581 VanDerWaalsContact CE1-CG2 3.47Å; F578-T581 HydrophobicContact CZ-CG2 3.32Å; T581-R583 WeakPolarHBondContact OG1-CB 3.45Å; T581-R583 PolarHBondContact OG1-N 3.37Å; T581-R583 VanDerWaalsContact OG1-N 3.11Å; T581-L593 CarbonylContact C-O 3.47Å; T581-L593 WeakPolarHBondContact CA-O 3.46Å; T581-E594 PolarHBondContact OG1-OE2 2.81Å; T581-L663 CarbonylContact O-C 3.51Å; T581-L663 WeakPolarHBondContact O-CA 3.34Å; T581-I664 HydrophobicContact CG2-CB 4.31Å; T581-I664 PolarHBondContact N-O 2.8Å; T581-I664 PolarHBondContact O-N 2.91Å |
| 582 | T | 92.4 | Very high | 86.5 | Confident | 1 Ų | 1 | 27 Ų | 27 | 1% | 0.006 | 14% | 0.14 | C | C | . | . | trans | -112 | 2.4 | 166.7 | 69.7 | 0 | 0 | 0 | 0 | 113.4 | S584 L593 H660 L663 | T582-S584 PolarHBondContact O-N 2.78Å; T582-L593 HydrophobicContact CG2-CB 4.09Å; T582-L593 PolarHBondContact N-O 2.81Å; T582-L593 PolarHBondContact OG1-N 3.44Å; T582-H660 HydrophobicContact CG2-CB 4.47Å; T582-L663 HydrophobicContact CG2-CB 4.49Å; T582-L663 HydrophobicContact CG2-CG 4.41Å | ||
| 583 | R | 87.8 | Confident | 86.4 | Confident | 64 Ų | 64 | 27 Ų | 27 | 24% | 0.242 | 14% | 0.139 | C | C | . | . | trans | -64 | 131.5 | -173.8 | -174.8 | 176.2 | -66.1 | -76.1 | 11 | 111.1 | T581 P590 C592 D612 H662 | T581-R583 WeakPolarHBondContact OG1-CB 3.45Å; T581-R583 PolarHBondContact OG1-N 3.37Å; T581-R583 VanDerWaalsContact OG1-N 3.11Å; R583-P590 PolarHBondContact NH1-O 3.36Å; R583-C592 HydrophobicContact CB-CB 4.04Å; R583-C592 PolarHBondContact NH2-SG 3.33Å; R583-D612 IonicContact NH2-OD1 2.74Å; R583-D612 PolarHBondContact NH2-OD1 3.33Å; R583-D612 IonicContact NH2-OD2 2.85Å; R583-D612 PolarHBondContact NH2-OD2 3.19Å; R583-H662 PolarHBondContact O-NE2 2.04Å | ||
| 584 | S | 84.8 | Confident | 86.6 | Confident | 11 Ų | 11 | 22.6 Ų | 22.6 | 8% | 0.077 | 12% | 0.121 | C | C | . | . | trans | -110.6 | 126.3 | 176.7 | -170.7 | 0 | 0 | 0 | 0 | 113.1 | T582 I586 E669 | T582-S584 PolarHBondContact O-N 2.78Å; S584-I586 VanDerWaalsContact C-N 3.25Å; S584-I586 PolarHBondContact O-N 3.4Å; S584-I586 PolarHBondContact OG-N 3.32Å; S584-E669 WeakPolarHBondContact CA-OE2 3.26Å; S584-E669 PolarHBondContact OG-OE2 3.05Å | ||
| 585 | S | 80.8 | Confident | 87 | Confident | 15 Ų | 15 | 20.9 Ų | 20.9 | 11% | 0.105 | 11% | 0.114 | C | C | . | . | S | Bend | trans | -69.2 | -16.3 | 169.6 | 62.9 | 0 | 0 | 0 | 0 | 114.2 | E669 T1019 L1020 | S585-E669 WeakPolarHBondContact CB-OE2 3.24Å; S585-E669 PolarHBondContact N-OE2 3.1Å; S585-E669 PolarHBondContact OG-OE2 3.2Å; S585-T1019 PolarHBondContact O-OG1 2.84Å; S585-L1020 WeakPolarHBondContact O-CB 3.34Å |
| 586 | I | 81.7 | Confident | 87.3 | Confident | 9 Ų | 9 | 18.2 Ų | 18.2 | 5% | 0.046 | 10% | 0.101 | C | C | . | . | S | Bend | trans | -76.3 | -40.3 | 175.3 | -67 | 172.8 | 0 | 0 | 0 | 111 | S584 T1018 T1019 L1020 | S584-I586 VanDerWaalsContact C-N 3.25Å; S584-I586 PolarHBondContact O-N 3.4Å; S584-I586 PolarHBondContact OG-N 3.32Å; I586-T1018 HydrophobicContact CG2-CG2 4.34Å; I586-T1018 CarbonylContact O-C 3.54Å; I586-T1018 WeakPolarHBondContact O-CA 3.4Å; I586-T1018 VanDerWaalsContact O-CB 3.25Å; I586-T1018 WeakPolarHBondContact O-CB 3.43Å; I586-T1019 PolarHBondContact O-N 2.85Å; I586-T1019 PolarHBondContact O-OG1 3.38Å; I586-L1020 HydrophobicContact CG1-CB 4.44Å; I586-L1020 HydrophobicContact CG1-CD2 4Å; I586-L1020 HydrophobicContact CG1-CG 4.23Å; I586-L1020 WeakPolarHBondContact CG2-O 3.34Å; I586-L1020 PolarHBondContact O-N 2.91Å |
| 587 | L | 83.7 | Confident | 87.6 | Confident | 15 Ų | 15 | 14.6 Ų | 14.6 | 8% | 0.079 | 8% | 0.081 | C | C | . | . | B | Isolated β-bridge | trans | -90 | 144.7 | -174.1 | -61.1 | 174.9 | 0 | 0 | 0 | 110.6 | P558 R661 T1019 | P558-L587 HydrophobicContact CB-CD1 3.94Å; P558-L587 HydrophobicContact CG-CD1 4.28Å; P558-L587 HydrophobicContact CG-CD2 4.28Å; L587-R661 HydrophobicContact CD1-CG 4.19Å; L587-T1019 PolarHBondContact O-OG1 3.25Å |
| 588 | S | 80.3 | Confident | 88 | Confident | 14 Ų | 14 | 17.8 Ų | 17.8 | 10% | 0.098 | 10% | 0.097 | C | C | . | . | S | Bend | trans | -78.9 | -27.6 | 172.8 | -50.6 | 0 | 0 | 0 | 0 | 112 | N1017 T1018 T1019 H1121 | S588-N1017 PolarHBondContact N-O 2.99Å; S588-N1017 PolarHBondContact OG-O 3.37Å; S588-N1017 VanDerWaalsContact OG-O 3.11Å; S588-T1018 VanDerWaalsContact OG-C 3.25Å; S588-T1018 PolarHBondContact OG-N 2.88Å; S588-T1019 PolarHBondContact OG-N 3.1Å; S588-H1121 WeakPolarHBondContact CB-ND1 3.33Å; S588-H1121 PolarHBondContact OG-ND1 3.44Å |
| 589 | A | 76.6 | Confident | 88.2 | Confident | 41 Ų | 41 | 20.8 Ų | 20.8 | 34% | 0.339 | 12% | 0.119 | S | C | . | . | S | Bend | trans | -60.5 | 129.7 | 178.2 | 0 | 0 | 0 | 0 | 0 | 110 | D591 | A589-D591 PolarHBondContact O-N 3.29Š|
| 590 | P | 78.6 | Confident | 88.2 | Confident | 39 Ų | 39 | 20.8 Ų | 20.8 | 25% | 0.253 | 12% | 0.119 | S | C | . | . | trans | -79.5 | 2.6 | -175.5 | 35.3 | -38.4 | 0 | 0 | 0 | 113.1 | R583 C592 | R583-P590 PolarHBondContact NH1-O 3.36Å; P590-C592 PolarHBondContact O-N 3.33Å | ||
| 591 | D | 87.4 | Confident | 88.3 | Confident | 18 Ų | 18 | 25.6 Ų | 25.6 | 10% | 0.096 | 14% | 0.138 | C | C | . | . | trans | -46.9 | 123.6 | -177.6 | -69.4 | 18.5 | 0 | 0 | 0 | 112.3 | A589 N607 L608 G609 L658 S659 | A589-D591 PolarHBondContact O-N 3.29Å; D591-N607 CarbonylContact C-O 3.6Å; D591-N607 VanDerWaalsContact CA-O 3.24Å; D591-N607 WeakPolarHBondContact CA-O 3.41Å; D591-L608 VanDerWaalsContact OD1-C 3.24Å; D591-G609 WeakPolarHBondContact OD1-CA 3.26Å; D591-G609 PolarHBondContact OD1-N 3.12Å; D591-L658 HydrophobicContact CB-CD1 4.36Å; D591-S659 WeakPolarHBondContact CB-O 3.49Å; D591-S659 WeakPolarHBondContact OD2-CB 3.27Å; D591-S659 PolarHBondContact OD2-N 3.05Å | ||
| 592 | C | 90.3 | Very high | 88.4 | Confident | 0 Ų | 0 | 25.6 Ų | 25.6 | 0% | 0 | 14% | 0.138 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -156.4 | 145.9 | 178.6 | 72.7 | 0 | 0 | 0 | 0 | 112.8 | R583 P590 Y606 N607 | R583-C592 HydrophobicContact CB-CB 4.04Å; R583-C592 PolarHBondContact NH2-SG 3.33Å; P590-C592 PolarHBondContact O-N 3.33Å; C592-Y606 WeakPolarHBondContact O-CA 3.49Å; C592-N607 PolarHBondContact N-O 3.05Å; C592-N607 PolarHBondContact O-N 3.15Å |
| 593 | L | 92.8 | Very high | 88.5 | Confident | 2 Ų | 2 | 25.6 Ų | 25.6 | 1% | 0.01 | 14% | 0.138 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114 | 115.5 | 158.7 | 172.1 | 67.6 | 0 | 0 | 0 | 106.8 | E564 T581 T582 L604 Y606 L658 F707 | E564-L593 HydrophobicContact CB-CD2 4.45Å; E564-L593 HydrophobicContact CG-CD2 4.43Å; T581-L593 CarbonylContact C-O 3.47Å; T581-L593 WeakPolarHBondContact CA-O 3.46Å; T582-L593 HydrophobicContact CG2-CB 4.09Å; T582-L593 PolarHBondContact N-O 2.81Å; T582-L593 PolarHBondContact OG1-N 3.44Å; L593-L604 HydrophobicContact CD1-CD1 3.58Å; L593-Y606 HydrophobicContact CB-CD2 4.23Å; L593-Y606 HydrophobicContact CB-CE2 4.17Å; L593-Y606 HydrophobicContact CD1-CD2 3.64Å; L593-Y606 HydrophobicContact CD1-CE2 3.97Å; L593-L658 HydrophobicContact CB-CD1 4.48Å; L593-L658 HydrophobicContact CB-CD2 3.93Å; L593-F707 HydrophobicContact CD2-CE2 4.37Å |
| 594 | E | 93.6 | Very high | 88.8 | Confident | 10 Ų | 10 | 22.5 Ų | 22.5 | 5% | 0.047 | 13% | 0.127 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -137.4 | 140.6 | -172.8 | 177.9 | 173.2 | 108.9 | 0 | 0 | 111.9 | F578 L580 T581 K596 L604 I605 | F578-E594 VanDerWaalsContact CE2-CD 3.41Å; F578-E594 HydrophobicContact CE2-CG 3.82Å; F578-E594 VanDerWaalsContact CE2-OE2 3.3Å; F578-E594 WeakPolarHBondContact CE2-OE2 3.47Å; F578-E594 HydrophobicContact CZ-CG 4.12Å; L580-E594 CarbonylContact O-C 3.51Å; L580-E594 VanDerWaalsContact O-CA 3.28Å; L580-E594 WeakPolarHBondContact O-CA 3.3Å; L580-E594 WeakPolarHBondContact O-CG 3.4Å; T581-E594 PolarHBondContact OG1-OE2 2.81Å; E594-K596 HydrophobicContact CG-CG 4.3Å; E594-K596 WeakPolarHBondContact OE1-CD 3.37Å; E594-K596 WeakPolarHBondContact OE1-CE 3.31Å; E594-K596 IonicContact OE1-NZ 2.83Å; E594-K596 PolarHBondContact OE1-NZ 3.34Å; E594-L604 CarbonylContact O-C 3.56Å; E594-L604 WeakPolarHBondContact O-CA 3.08Å; E594-L604 WeakPolarHBondContact O-CD1 3.27Å; E594-I605 HydrophobicContact CB-CB 4.19Å; E594-I605 PolarHBondContact N-O 2.98Å; E594-I605 PolarHBondContact O-N 2.8Å |
| 595 | L | 95.4 | Very high | 89.2 | Confident | 1 Ų | 1 | 22.6 Ų | 22.6 | 1% | 0.005 | 13% | 0.126 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.4 | 120.6 | -177 | -158.7 | 75.4 | 0 | 0 | 0 | 109.3 | L568 L579 L580 L602 L604 V629 I631 F640 | L568-L595 HydrophobicContact CD2-CD2 4.18Å; L579-L595 HydrophobicContact CB-CB 4.37Å; L579-L595 HydrophobicContact CB-CD2 4.39Å; L579-L595 WeakPolarHBondContact CB-O 3.31Å; L579-L595 HydrophobicContact CD2-CD2 3.65Å; L579-L595 HydrophobicContact CD2-CG 4.42Å; L579-L595 HydrophobicContact CG-CD2 4.09Å; L579-L595 PolarHBondContact N-O 2.02Å; L580-L595 HydrophobicContact CB-CB 4.08Å; L580-L595 PolarHBondContact N-O 3.01Å; L580-L595 PolarHBondContact O-N 3.25Å; L595-L602 HydrophobicContact CD1-CD1 4.16Å; L595-L602 HydrophobicContact CD1-CD2 3.98Å; L595-L602 HydrophobicContact CD1-CG 3.92Å; L595-L602 HydrophobicContact CD2-CD1 3.99Å; L595-L602 HydrophobicContact CD2-CD2 4.16Å; L595-L602 HydrophobicContact CD2-CG 4.43Å; L595-L602 HydrophobicContact CG-CD1 3.71Å; L595-L602 HydrophobicContact CG-CD2 4.25Å; L595-L602 HydrophobicContact CG-CG 4.06Å; L595-L604 HydrophobicContact CD1-CB 4.19Å; L595-L604 HydrophobicContact CD1-CD1 4.03Å; L595-V629 HydrophobicContact CD2-CG1 4.31Å; L595-I631 HydrophobicContact CD1-CD1 3.71Å; L595-F640 HydrophobicContact CD1-CE2 4.3Å; L595-F640 HydrophobicContact CD1-CZ 4.41Å |
| 596 | K | 92.8 | Very high | 89.6 | Confident | 51 Ų | 51 | 21.9 Ų | 21.9 | 22% | 0.222 | 12% | 0.121 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.1 | 148.9 | -177.4 | -76.7 | 175.2 | 167.2 | 157.5 | 0 | 111.2 | G577 F578 E594 I598 S603 I605 | G577-K596 WeakPolarHBondContact O-CA 3.09Å; F578-K596 HydrophobicContact CD2-CD 4.32Å; F578-K596 VanDerWaalsContact CD2-CE 3.45Å; F578-K596 HydrophobicContact CD2-CG 3.9Å; F578-K596 HydrophobicContact CE2-CG 4.46Å; E594-K596 HydrophobicContact CG-CG 4.3Å; E594-K596 WeakPolarHBondContact OE1-CD 3.37Å; E594-K596 WeakPolarHBondContact OE1-CE 3.31Å; E594-K596 IonicContact OE1-NZ 2.83Å; E594-K596 PolarHBondContact OE1-NZ 3.34Å; K596-I598 HydrophobicContact CB-CG1 4.32Å; K596-S603 PolarHBondContact N-O 2.85Å; K596-S603 PolarHBondContact O-N 3.48Å; K596-I605 HydrophobicContact CD-CD1 3.88Å |
| 597 | I | 92.9 | Very high | 89.9 | Confident | 2 Ų | 2 | 21.7 Ų | 21.7 | 1% | 0.01 | 12% | 0.12 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -96.4 | 125.9 | 167.4 | -46.6 | -179.2 | 0 | 0 | 0 | 106.3 | F570 T572 E575 D576 G577 Y601 L602 I621 F698 | F570-I597 HydrophobicContact CE2-CD1 4.15Å; T572-I597 HydrophobicContact CG2-CD1 3.67Å; E575-I597 VanDerWaalsContact O-CG2 3.31Å; E575-I597 WeakPolarHBondContact O-CG2 3.1Å; D576-I597 WeakPolarHBondContact CA-O 3Å; G577-I597 PolarHBondContact N-O 3.04Å; G577-I597 VanDerWaalsContact N-O 3.1Å; G577-I597 PolarHBondContact O-N 2.98Å; I597-Y601 CarbonylContact C-O 3.56Å; I597-Y601 WeakPolarHBondContact CA-O 3.24Å; I597-L602 HydrophobicContact CG1-CD1 4.32Å; I597-I621 HydrophobicContact CB-CD1 4.34Å; I597-I621 HydrophobicContact CD1-CD1 3.89Å; I597-I621 HydrophobicContact CG1-CD1 3.77Å; I597-I621 HydrophobicContact CG2-CD1 3.83Å; I597-I621 HydrophobicContact CG2-CG1 4.22Å; I597-F698 HydrophobicContact CD1-CD2 4.35Å; I597-F698 HydrophobicContact CD1-CE2 4.28Å |
| 598 | I | 90.9 | Very high | 90 | Very high | 70 Ų | 70 | 21.4 Ų | 21.4 | 36% | 0.359 | 12% | 0.118 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.6 | 118.6 | 179.2 | -55.7 | -179 | 0 | 0 | 0 | 107.6 | E575 D576 K596 G600 Y601 | E575-I598 CarbonylContact O-C 3.57Å; D576-I598 WeakPolarHBondContact OD1-CA 3.46Å; K596-I598 HydrophobicContact CB-CG1 4.32Å; I598-G600 PolarHBondContact O-N 2.87Å; I598-G600 VanDerWaalsContact O-N 3.14Å; I598-Y601 PolarHBondContact N-O 2.93Å; I598-Y601 PolarHBondContact O-N 2.95Å |
| 599 | S | 89.8 | Confident | 89.8 | Confident | 72 Ų | 72 | 21.2 Ų | 21.2 | 50% | 0.503 | 12% | 0.119 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 49.6 | 37.4 | -179.6 | -51.7 | 0 | 0 | 0 | 0 | 114.2 | E575 D576 Y601 | E575-S599 CarbonylContact O-C 3.59Å; E575-S599 WeakPolarHBondContact O-CA 3.37Å; E575-S599 PolarHBondContact O-N 2.04Å; D576-S599 PolarHBondContact OD1-N 3.38Å; S599-Y601 WeakPolarHBondContact O-CD2 3.33Å; S599-Y601 WeakPolarHBondContact O-CE2 3.25Å |
| 600 | G | 92.5 | Very high | 89.5 | Confident | 0 Ų | 0 | 22 Ų | 22 | 0% | 0 | 13% | 0.126 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 84.9 | 1.9 | 179 | 0 | 0 | 0 | 0 | 0 | 115.2 | E575 I598 I621 | E575-G600 PolarHBondContact O-N 3.07Å; I598-G600 PolarHBondContact O-N 2.87Å; I598-G600 VanDerWaalsContact O-N 3.14Å; G600-I621 WeakPolarHBondContact O-CG1 3.26Å; G600-I621 PolarHBondContact O-N 3.19Å |
| 601 | Y | 95.2 | Very high | 89.6 | Confident | 102 Ų | 102 | 24.5 Ų | 24.5 | 40% | 0.4 | 14% | 0.14 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.8 | 152 | -179.7 | -61.7 | -85.3 | 0 | 0 | 0 | 111.9 | I597 I598 S599 P618 V619 Y620 | I597-Y601 CarbonylContact C-O 3.56Å; I597-Y601 WeakPolarHBondContact CA-O 3.24Å; I598-Y601 PolarHBondContact N-O 2.93Å; I598-Y601 PolarHBondContact O-N 2.95Å; S599-Y601 WeakPolarHBondContact O-CD2 3.33Å; S599-Y601 WeakPolarHBondContact O-CE2 3.25Å; Y601-P618 WeakPolarHBondContact CE1-O 3.44Å; Y601-V619 WeakPolarHBondContact CD1-O 3.18Å; Y601-Y620 HydrophobicContact CE1-CD2 4.26Å; Y601-Y620 HydrophobicContact CE2-CD2 4.04Å; Y601-Y620 AromaticContact CZ-CD2 3.88Å |
| 602 | L | 95.9 | Very high | 89.5 | Confident | 0 Ų | 0 | 27.4 Ų | 27.4 | 0% | 0 | 16% | 0.155 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -85.6 | 130.7 | 179.8 | -160.7 | 67 | 0 | 0 | 0 | 111.5 | F570 L579 L595 I597 N617 I621 V629 F640 V642 | F570-L602 HydrophobicContact CZ-CD1 4.37Å; L579-L602 HydrophobicContact CD2-CD1 4.22Å; L595-L602 HydrophobicContact CD1-CD1 4.16Å; L595-L602 HydrophobicContact CD1-CD2 3.98Å; L595-L602 HydrophobicContact CD1-CG 3.92Å; L595-L602 HydrophobicContact CD2-CD1 3.99Å; L595-L602 HydrophobicContact CD2-CD2 4.16Å; L595-L602 HydrophobicContact CD2-CG 4.43Å; L595-L602 HydrophobicContact CG-CD1 3.71Å; L595-L602 HydrophobicContact CG-CD2 4.25Å; L595-L602 HydrophobicContact CG-CG 4.06Å; I597-L602 HydrophobicContact CG1-CD1 4.32Å; L602-N617 PolarHBondContact O-N 2.75Å; L602-I621 HydrophobicContact CB-CD1 4.03Å; L602-I621 HydrophobicContact CD1-CD1 3.86Å; L602-V629 HydrophobicContact CD2-CB 4.26Å; L602-V629 HydrophobicContact CD2-CG1 3.86Å; L602-V629 HydrophobicContact CD2-CG2 3.35Å; L602-F640 HydrophobicContact CB-CZ 4.12Å; L602-F640 HydrophobicContact CD2-CE2 3.64Å; L602-F640 HydrophobicContact CD2-CZ 3.63Å; L602-F640 HydrophobicContact CG-CE2 4.33Å; L602-F640 HydrophobicContact CG-CZ 3.84Å; L602-V642 HydrophobicContact CD2-CG2 3.75Å |
| 603 | S | 94.6 | Very high | 89.4 | Confident | 1 Ų | 1 | 29.2 Ų | 29.2 | 1% | 0.007 | 17% | 0.165 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.1 | 123.1 | 177.2 | -55.7 | 0 | 0 | 0 | 0 | 109.7 | K596 Y615 H616 | K596-S603 PolarHBondContact N-O 2.85Å; K596-S603 PolarHBondContact O-N 3.48Å; S603-Y615 CarbonylContact C-O 3.53Å; S603-Y615 WeakPolarHBondContact CA-O 3.42Å; S603-H616 PolarHBondContact OG-CE1 3.46Å; S603-H616 PolarHBondContact OG-ND1 2.77Å |
| 604 | L | 95.1 | Very high | 89.4 | Confident | 0 Ų | 0 | 32.3 Ų | 32.3 | 0% | 0 | 18% | 0.184 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -99.2 | 119.3 | 175.6 | 174.9 | 59.4 | 0 | 0 | 0 | 108.9 | L593 E594 L595 V614 Y615 I631 L638 F640 | L593-L604 HydrophobicContact CD1-CD1 3.58Å; E594-L604 CarbonylContact O-C 3.56Å; E594-L604 WeakPolarHBondContact O-CA 3.08Å; E594-L604 WeakPolarHBondContact O-CD1 3.27Å; L595-L604 HydrophobicContact CD1-CB 4.19Å; L595-L604 HydrophobicContact CD1-CD1 4.03Å; L604-V614 WeakPolarHBondContact O-CA 3.42Å; L604-Y615 PolarHBondContact N-O 3.24Å; L604-Y615 PolarHBondContact O-N 3.12Å; L604-I631 HydrophobicContact CD1-CD1 3.66Å; L604-I631 HydrophobicContact CD2-CD1 3.88Å; L604-I631 HydrophobicContact CD2-CG1 4.07Å; L604-I631 HydrophobicContact CD2-CG2 4.2Å; L604-I631 HydrophobicContact CG-CD1 4.33Å; L604-L638 HydrophobicContact CD2-CD1 4.24Å; L604-L638 HydrophobicContact CD2-CD2 3.77Å; L604-L638 HydrophobicContact CD2-CG 4.25Å; L604-F640 HydrophobicContact CB-CD1 4.02Å; L604-F640 HydrophobicContact CB-CE1 3.78Å; L604-F640 HydrophobicContact CB-CG 4.47Å; L604-F640 HydrophobicContact CB-CZ 4.06Å; L604-F640 HydrophobicContact CD2-CB 4.04Å; L604-F640 HydrophobicContact CD2-CD1 4.13Å; L604-F640 HydrophobicContact CD2-CD2 4.24Å; L604-F640 HydrophobicContact CD2-CG 3.9Å |
| 605 | I | 92 | Very high | 89.3 | Confident | 13 Ų | 13 | 33.1 Ų | 33.1 | 7% | 0.067 | 19% | 0.187 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.6 | 129.3 | 176.7 | -56 | 174 | 0 | 0 | 0 | 108.1 | E594 K596 D612 N613 V614 | E594-I605 HydrophobicContact CB-CB 4.19Å; E594-I605 PolarHBondContact N-O 2.98Å; E594-I605 PolarHBondContact O-N 2.8Å; K596-I605 HydrophobicContact CD-CD1 3.88Å; I605-D612 HydrophobicContact CG2-CB 3.84Å; I605-N613 CarbonylContact C-O 3.49Å; I605-N613 WeakPolarHBondContact CA-O 3.38Å; I605-V614 HydrophobicContact CG1-CG1 4.24Å; I605-V614 HydrophobicContact CG1-CG2 4.17Å |
| 606 | Y | 90.1 | Very high | 89.3 | Confident | 0 Ų | 0 | 38.2 Ų | 38.2 | 0% | 0 | 21% | 0.21 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -136.1 | 119.8 | -176.5 | -160.8 | -103.2 | 0 | 0 | 0 | 111.4 | E564 C592 L593 L608 N613 R633 I651 L658 | E564-Y606 PolarHBondContact OE2-OH 3.32Å; C592-Y606 WeakPolarHBondContact O-CA 3.49Å; L593-Y606 HydrophobicContact CB-CD2 4.23Å; L593-Y606 HydrophobicContact CB-CE2 4.17Å; L593-Y606 HydrophobicContact CD1-CD2 3.64Å; L593-Y606 HydrophobicContact CD1-CE2 3.97Å; Y606-L608 HydrophobicContact CD1-CD1 4.48Å; Y606-L608 HydrophobicContact CD1-CD2 4.5Å; Y606-L608 HydrophobicContact CD1-CG 4.05Å; Y606-L608 HydrophobicContact CE1-CD1 3.51Å; Y606-L608 HydrophobicContact CE1-CD2 3.54Å; Y606-L608 HydrophobicContact CE1-CG 3.29Å; Y606-L608 WeakPolarHBondContact OH-CD2 3.35Å; Y606-N613 PolarHBondContact N-O 3.38Å; Y606-N613 WeakPolarHBondContact O-CB 3.27Å; Y606-N613 PolarHBondContact O-N 3.08Å; Y606-N613 PolarHBondContact O-ND2 3.19Å; Y606-R633 WeakPolarHBondContact OH-CD 3.49Å; Y606-R633 PolarHBondContact OH-NE 3.47Å; Y606-R633 PolarHBondContact OH-NH2 3.45Å; Y606-I651 HydrophobicContact CD1-CD1 3.93Å; Y606-I651 HydrophobicContact CD1-CG1 4.39Å; Y606-I651 HydrophobicContact CD1-CG2 4.37Å; Y606-I651 HydrophobicContact CE1-CD1 3.66Å; Y606-I651 HydrophobicContact CE1-CG2 4.4Å; Y606-L658 HydrophobicContact CE2-CD1 4.48Å |
| 607 | N | 88.1 | Confident | 89.4 | Confident | 4 Ų | 4 | 35.9 Ų | 35.9 | 2% | 0.021 | 20% | 0.2 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.3 | 130.3 | 178.7 | -166.7 | -26 | 0 | 0 | 0 | 109.5 | D591 C592 G609 A610 V611 D612 | D591-N607 CarbonylContact C-O 3.6Å; D591-N607 VanDerWaalsContact CA-O 3.24Å; D591-N607 WeakPolarHBondContact CA-O 3.41Å; C592-N607 PolarHBondContact N-O 3.05Å; C592-N607 PolarHBondContact O-N 3.15Å; N607-G609 PolarHBondContact OD1-N 2.83Å; N607-A610 PolarHBondContact OD1-N 3.18Å; N607-V611 VanDerWaalsContact ND2-C 3.32Å; N607-D612 WeakPolarHBondContact CB-OD1 3.13Å; N607-D612 PolarHBondContact ND2-N 3.41Å; N607-D612 PolarHBondContact ND2-OD1 2.62Å |
| 608 | L | 84.9 | Confident | 89.4 | Confident | 9 Ų | 9 | 39.2 Ų | 39.2 | 5% | 0.047 | 22% | 0.222 | C | C | . | . | S | Bend | trans | -119.9 | 33.3 | 177.3 | -66 | -172.4 | 0 | 0 | 0 | 112.4 | D591 Y606 I651 G655 L658 | D591-L608 VanDerWaalsContact OD1-C 3.24Å; Y606-L608 HydrophobicContact CD1-CD1 4.48Å; Y606-L608 HydrophobicContact CD1-CD2 4.5Å; Y606-L608 HydrophobicContact CD1-CG 4.05Å; Y606-L608 HydrophobicContact CE1-CD1 3.51Å; Y606-L608 HydrophobicContact CE1-CD2 3.54Å; Y606-L608 HydrophobicContact CE1-CG 3.29Å; Y606-L608 WeakPolarHBondContact OH-CD2 3.35Å; L608-I651 HydrophobicContact CD1-CG2 4.27Å; L608-G655 WeakPolarHBondContact CD1-O 3.34Å; L608-G655 VanDerWaalsContact O-CA 3.32Å; L608-G655 WeakPolarHBondContact O-CA 3.33Å; L608-L658 VanDerWaalsContact CD2-CA 3.5Å; L608-L658 HydrophobicContact CD2-CB 3.84Å; L608-L658 HydrophobicContact CD2-CD1 4.17Å |
| 609 | G | 76.5 | Confident | 89.7 | Confident | 10 Ų | 10 | 37.2 Ų | 37.2 | 10% | 0.103 | 21% | 0.213 | C | C | . | . | S | Bend | trans | 100.8 | 18.3 | 175.8 | 0 | 0 | 0 | 0 | 0 | 113.9 | D591 N607 E1421 | D591-G609 WeakPolarHBondContact OD1-CA 3.26Å; D591-G609 PolarHBondContact OD1-N 3.12Å; N607-G609 PolarHBondContact OD1-N 2.83Å; G609-E1421 VanDerWaalsContact O-O 3.09Å |
| 610 | A | 71.1 | Confident | 90 | Very high | 59 Ų | 59 | 37.8 Ų | 37.8 | 49% | 0.488 | 21% | 0.205 | S | C | . | . | S | Bend | trans | -130.6 | -74.7 | -177.7 | 0 | 0 | 0 | 0 | 0 | 111.4 | N607 | N607-A610 PolarHBondContact OD1-N 3.18Š|
| 611 | V | 79.3 | Confident | 90.2 | Very high | 91 Ų | 91 | 37.8 Ų | 37.8 | 55% | 0.552 | 21% | 0.205 | S | C | * | . | trans | -145.7 | 151.4 | -176.9 | -68.9 | 0 | 0 | 0 | 0 | 109.7 | N607 N613 | N607-V611 VanDerWaalsContact ND2-C 3.32Å; V611-N613 PolarHBondContact O-N 2.75Å; V611-N613 VanDerWaalsContact O-N 3.09Å; V611-N613 PolarHBondContact O-ND2 3.42Å | ||
| 612 | D | 85.5 | Confident | 90 | Very high | 79 Ų | 79 | 33.4 Ų | 33.4 | 42% | 0.422 | 19% | 0.189 | S | C | . | . | trans | -67.9 | 105.9 | 171.9 | -75.2 | 0.1 | 0 | 0 | 0 | 108.8 | R583 I605 N607 | R583-D612 IonicContact NH2-OD1 2.74Å; R583-D612 PolarHBondContact NH2-OD1 3.33Å; R583-D612 IonicContact NH2-OD2 2.85Å; R583-D612 PolarHBondContact NH2-OD2 3.19Å; I605-D612 HydrophobicContact CG2-CB 3.84Å; N607-D612 WeakPolarHBondContact CB-OD1 3.13Å; N607-D612 PolarHBondContact ND2-N 3.41Å; N607-D612 PolarHBondContact ND2-OD1 2.62Å | ||
| 613 | N | 88.9 | Confident | 90 | Very high | 38 Ų | 38 | 36.7 Ų | 36.7 | 20% | 0.203 | 21% | 0.207 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -86.1 | 121.9 | 170.9 | -59.4 | -75.9 | 0 | 0 | 0 | 108.4 | I605 Y606 V611 Y615 | I605-N613 CarbonylContact C-O 3.49Å; I605-N613 WeakPolarHBondContact CA-O 3.38Å; Y606-N613 PolarHBondContact N-O 3.38Å; Y606-N613 WeakPolarHBondContact O-CB 3.27Å; Y606-N613 PolarHBondContact O-N 3.08Å; Y606-N613 PolarHBondContact O-ND2 3.19Å; V611-N613 PolarHBondContact O-N 2.75Å; V611-N613 VanDerWaalsContact O-N 3.09Å; V611-N613 PolarHBondContact O-ND2 3.42Å; N613-Y615 HydrophobicContact CB-CE2 3.85Å |
| 614 | V | 91.6 | Very high | 89.8 | Confident | 67 Ų | 67 | 39.5 Ų | 39.5 | 41% | 0.406 | 22% | 0.222 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.2 | 124.9 | -176.4 | -170.4 | 0 | 0 | 0 | 0 | 109.8 | L604 I605 | L604-V614 WeakPolarHBondContact O-CA 3.42Å; I605-V614 HydrophobicContact CG1-CG1 4.24Å; I605-V614 HydrophobicContact CG1-CG2 4.17Å |
| 615 | Y | 92.9 | Very high | 89.8 | Confident | 27 Ų | 27 | 45 Ų | 45 | 11% | 0.106 | 25% | 0.247 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.8 | 127 | 178.1 | -57.3 | -76.2 | 0 | 0 | 0 | 109.7 | S603 L604 N613 L638 F649 | S603-Y615 CarbonylContact C-O 3.53Å; S603-Y615 WeakPolarHBondContact CA-O 3.42Å; L604-Y615 PolarHBondContact N-O 3.24Å; L604-Y615 PolarHBondContact O-N 3.12Å; N613-Y615 HydrophobicContact CB-CE2 3.85Å; Y615-L638 HydrophobicContact CD2-CD2 3.77Å; Y615-L638 HydrophobicContact CE2-CD2 3.69Å; Y615-F649 HydrophobicContact CD1-CB 4Å; Y615-F649 AromaticContact CD1-CD1 3.31Å; Y615-F649 HydrophobicContact CD1-CD1 3.31Å; Y615-F649 AromaticContact CD1-CD2 3.64Å; Y615-F649 HydrophobicContact CD1-CD2 3.64Å; Y615-F649 AromaticContact CD1-CE1 3.53Å; Y615-F649 HydrophobicContact CD1-CE1 3.53Å; Y615-F649 AromaticContact CD1-CE2 3.84Å; Y615-F649 HydrophobicContact CD1-CE2 3.84Å; Y615-F649 AromaticContact CD1-CG 3.36Å; Y615-F649 HydrophobicContact CD1-CG 3.36Å; Y615-F649 AromaticContact CD1-CZ 3.77Å; Y615-F649 HydrophobicContact CD1-CZ 3.77Å; Y615-F649 HydrophobicContact CE1-CB 3.54Å; Y615-F649 AromaticContact CE1-CD1 3.48Å; Y615-F649 HydrophobicContact CE1-CD1 3.48Å; Y615-F649 VanDerWaalsContact CE1-CD1 3.48Å; Y615-F649 HydrophobicContact CE1-CD2 4.11Å; Y615-F649 HydrophobicContact CE1-CE1 4.15Å; Y615-F649 AromaticContact CE1-CG 3.44Å; Y615-F649 HydrophobicContact CE1-CG 3.44Å; Y615-F649 VanDerWaalsContact CE1-CG 3.44Å; Y615-F649 HydrophobicContact CG-CD1 4.37Å; Y615-F649 AromaticContact CG-CD2 3.94Å; Y615-F649 HydrophobicContact CG-CD2 3.94Å; Y615-F649 HydrophobicContact CG-CE1 4.43Å; Y615-F649 HydrophobicContact CG-CE2 4.01Å; Y615-F649 HydrophobicContact CG-CG 4.11Å; Y615-F649 HydrophobicContact CG-CZ 4.25Å |
| 616 | H | 93.8 | Very high | 90 | Very high | 108 Ų | 108 | 46 Ų | 46 | 50% | 0.5 | 25% | 0.25 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.2 | 133.4 | -177.9 | -59.5 | -76.2 | 0 | 0 | 0 | 110.9 | S603 Q647 | S603-H616 PolarHBondContact OG-CE1 3.46Å; S603-H616 PolarHBondContact OG-ND1 2.77Å; H616-Q647 PolarHBondContact O-OE1 3.05Å; H616-Q647 VanDerWaalsContact O-OE1 3.05Å |
| 617 | N | 95 | Very high | 90.3 | Very high | 2 Ų | 2 | 46.3 Ų | 46.3 | 1% | 0.011 | 25% | 0.252 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.4 | 135.7 | 170.1 | -164.6 | -76.2 | 0 | 0 | 0 | 110.4 | L602 V619 F640 V642 | L602-N617 PolarHBondContact O-N 2.75Å; N617-V619 VanDerWaalsContact C-N 3.26Å; N617-V619 PolarHBondContact O-N 2.84Å; N617-V619 WeakPolarHBondContact OD1-CB 3.31Å; N617-V619 VanDerWaalsContact OD1-CG2 3.28Å; N617-V619 WeakPolarHBondContact OD1-CG2 3.49Å; N617-V619 PolarHBondContact OD1-N 2.84Å; N617-V619 VanDerWaalsContact OD1-N 3.11Å; N617-F640 HydrophobicContact CB-CD1 4.27Å; N617-F640 HydrophobicContact CB-CE1 3.57Å; N617-F640 HydrophobicContact CB-CE2 4.49Å; N617-F640 HydrophobicContact CB-CZ 3.69Å; N617-V642 HydrophobicContact CB-CG2 3.76Å |
| 618 | P | 94.7 | Very high | 90.7 | Very high | 72 Ų | 72 | 46.2 Ų | 46.2 | 47% | 0.468 | 25% | 0.252 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -78.2 | -3.2 | -174.5 | 32.5 | -39.2 | 0 | 0 | 0 | 114.3 | Y601 Y620 L645 | Y601-P618 WeakPolarHBondContact CE1-O 3.44Å; P618-Y620 PolarHBondContact O-N 3.02Å; P618-L645 HydrophobicContact CG-CD1 4.44Å; P618-L645 HydrophobicContact CG-CD2 3.62Å |
| 619 | V | 96.2 | Very high | 91.3 | Very high | 28 Ų | 28 | 45.8 Ų | 45.8 | 17% | 0.17 | 25% | 0.249 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -74.5 | 122.1 | 176.8 | 178.8 | 0 | 0 | 0 | 0 | 109.3 | Y601 N617 I621 V642 L645 | Y601-V619 WeakPolarHBondContact CD1-O 3.18Å; N617-V619 VanDerWaalsContact C-N 3.26Å; N617-V619 PolarHBondContact O-N 2.84Å; N617-V619 WeakPolarHBondContact OD1-CB 3.31Å; N617-V619 VanDerWaalsContact OD1-CG2 3.28Å; N617-V619 WeakPolarHBondContact OD1-CG2 3.49Å; N617-V619 PolarHBondContact OD1-N 2.84Å; N617-V619 VanDerWaalsContact OD1-N 3.11Å; V619-I621 HydrophobicContact CG1-CG2 4.11Å; V619-V642 HydrophobicContact CB-CB 4.13Å; V619-V642 HydrophobicContact CB-CG1 3.88Å; V619-V642 HydrophobicContact CG1-CG1 3.86Å; V619-V642 HydrophobicContact CG2-CB 4.17Å; V619-V642 HydrophobicContact CG2-CG1 4.32Å; V619-L645 HydrophobicContact CG2-CB 4.11Å; V619-L645 HydrophobicContact CG2-CD1 4.33Å |
| 620 | Y | 96.7 | Very high | 92.2 | Very high | 84 Ų | 84 | 46 Ų | 46 | 33% | 0.329 | 25% | 0.247 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -74.2 | 125.9 | 170.3 | -177.1 | -91.3 | 0 | 0 | 0 | 108.8 | Y601 P618 A622 D623 | Y601-Y620 HydrophobicContact CE1-CD2 4.26Å; Y601-Y620 HydrophobicContact CE2-CD2 4.04Å; Y601-Y620 AromaticContact CZ-CD2 3.88Å; P618-Y620 PolarHBondContact O-N 3.02Å; Y620-A622 VanDerWaalsContact CE1-C 3.41Å; Y620-A622 HydrophobicContact CE1-CB 4.09Å; Y620-A622 WeakPolarHBondContact CE1-O 3.47Å; Y620-A622 HydrophobicContact CE2-CB 4.41Å; Y620-A622 PolarHBondContact OH-O 2.85Å; Y620-D623 HydrophobicContact CD1-CB 4.1Å; Y620-D623 HydrophobicContact CE1-CB 4.02Å |
| 621 | I | 95.6 | Very high | 93.4 | Very high | 0 Ų | 0 | 43.2 Ų | 43.2 | 0% | 0 | 22% | 0.224 | C | C | . | . | trans | -119.4 | -6.4 | -169.5 | 55.2 | 159.1 | 0 | 0 | 0 | 114.3 | F570 I597 G600 L602 V619 D623 H627 V642 | F570-I621 HydrophobicContact CE2-CD1 3.91Å; F570-I621 HydrophobicContact CZ-CB 4.48Å; F570-I621 HydrophobicContact CZ-CD1 3.57Å; I597-I621 HydrophobicContact CB-CD1 4.34Å; I597-I621 HydrophobicContact CD1-CD1 3.89Å; I597-I621 HydrophobicContact CG1-CD1 3.77Å; I597-I621 HydrophobicContact CG2-CD1 3.83Å; I597-I621 HydrophobicContact CG2-CG1 4.22Å; G600-I621 WeakPolarHBondContact O-CG1 3.26Å; G600-I621 PolarHBondContact O-N 3.19Å; L602-I621 HydrophobicContact CB-CD1 4.03Å; L602-I621 HydrophobicContact CD1-CD1 3.86Å; V619-I621 HydrophobicContact CG1-CG2 4.11Å; I621-D623 PolarHBondContact O-N 3.46Å; I621-H627 WeakPolarHBondContact CA-NE2 3.45Å; I621-H627 HydrophobicContact CG2-CB 4.25Å; I621-H627 PolarHBondContact O-NE2 3Å; I621-V642 HydrophobicContact CG2-CG1 3.99Å | ||
| 622 | A | 92.7 | Very high | 94.1 | Very high | 9 Ų | 9 | 41.3 Ų | 41.3 | 7% | 0.074 | 21% | 0.208 | C | C | . | . | trans | -90.5 | 44.3 | 179.2 | 0 | 0 | 0 | 0 | 0 | 111.3 | T572 Y574 E575 Y620 | T572-A622 CarbonylContact O-C 3.51Å; Y574-A622 WeakPolarHBondContact O-CB 3.36Å; E575-A622 HydrophobicContact CG-CB 4.11Å; Y620-A622 VanDerWaalsContact CE1-C 3.41Å; Y620-A622 HydrophobicContact CE1-CB 4.09Å; Y620-A622 WeakPolarHBondContact CE1-O 3.47Å; Y620-A622 HydrophobicContact CE2-CB 4.41Å; Y620-A622 PolarHBondContact OH-O 2.85Å | ||
| 623 | D | 94.3 | Very high | 94.4 | Very high | 70 Ų | 70 | 37.6 Ų | 37.6 | 37% | 0.374 | 19% | 0.188 | S | C | . | . | S | Bend | trans | -111.3 | 8 | -175.8 | 69.2 | 3.3 | 0 | 0 | 0 | 113.4 | Y620 I621 Q625 H627 | Y620-D623 HydrophobicContact CD1-CB 4.1Å; Y620-D623 HydrophobicContact CE1-CB 4.02Å; I621-D623 PolarHBondContact O-N 3.46Å; D623-Q625 PolarHBondContact O-N 2.65Å; D623-Q625 WeakPolarHBondContact OD1-CA 3.4Å; D623-Q625 WeakPolarHBondContact OD1-CB 3.33Å; D623-Q625 WeakPolarHBondContact OD1-CG 3.46Å; D623-Q625 PolarHBondContact OD1-N 2.94Å; D623-H627 IonicContact OD1-CE1 3.5Å; D623-H627 IonicContact OD1-NE2 3.82Å; D623-H627 PolarHBondContact OD1-NE2 3.22Å; D623-H627 IonicContact OD2-CE1 3.74Å; D623-H627 IonicContact OD2-NE2 2.68Å |
| 624 | D | 91.6 | Very high | 94.4 | Very high | 59 Ų | 59 | 38.8 Ų | 38.8 | 32% | 0.316 | 19% | 0.189 | S | C | . | . | S | Bend | trans | 61.9 | 21.2 | -176.4 | -158.4 | 39.9 | 0 | 0 | 0 | 114.9 | R571 T572 K573 | R571-D624 VanDerWaalsContact CD-O 3.28Å; R571-D624 WeakPolarHBondContact CD-O 3.32Å; R571-D624 WeakPolarHBondContact CG-O 3.45Å; R571-D624 IonicContact CZ-OD1 2.71Å; R571-D624 IonicContact CZ-OD2 3.07Å; R571-D624 IonicContact NE-OD1 3.81Å; R571-D624 PolarHBondContact NH1-O 2.71Å; R571-D624 VanDerWaalsContact NH1-O 3.1Å; R571-D624 IonicContact NH1-OD1 3.86Å; R571-D624 PolarHBondContact NH1-OD1 2.73Å; R571-D624 IonicContact NH1-OD2 3.58Å; R571-D624 PolarHBondContact NH1-OD2 2.8Å; R571-D624 IonicContact NH2-OD1 3.76Å; T572-D624 VanDerWaalsContact O-CA 3.31Å; T572-D624 WeakPolarHBondContact O-CA 3.42Å; T572-D624 PolarHBondContact O-N 3.33Å; K573-D624 HydrophobicContact CB-CB 4.27Å |
| 625 | Q | 94.9 | Very high | 94.1 | Very high | 115 Ų | 115 | 38.4 Ų | 38.4 | 54% | 0.537 | 18% | 0.183 | S | C | . | . | S | Bend | trans | -100.5 | 165.8 | 171.7 | -55.1 | -53.9 | -59 | 0 | 0 | 112.8 | R571 D623 H627 | R571-Q625 WeakPolarHBondContact CA-O 3.37Å; R571-Q625 WeakPolarHBondContact CB-O 3.01Å; R571-Q625 WeakPolarHBondContact CG-O 3.24Å; D623-Q625 PolarHBondContact O-N 2.65Å; D623-Q625 WeakPolarHBondContact OD1-CA 3.4Å; D623-Q625 WeakPolarHBondContact OD1-CB 3.33Å; D623-Q625 WeakPolarHBondContact OD1-CG 3.46Å; D623-Q625 PolarHBondContact OD1-N 2.94Å; Q625-H627 PolarHBondContact O-CD2 2.88Å; Q625-H627 VanDerWaalsContact O-CD2 3.31Å; Q625-H627 PolarHBondContact O-N 3.27Å |
| 626 | W | 94.9 | Very high | 93.7 | Very high | 35 Ų | 35 | 40.2 Ų | 40.2 | 13% | 0.133 | 20% | 0.195 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -82.7 | 115.5 | 177.4 | -73.7 | 106 | 0 | 0 | 0 | 111.3 | I541 R569 F570 R571 M703 Y741 | I541-W626 HydrophobicContact CD1-CZ2 4.18Å; I541-W626 HydrophobicContact CG2-CH2 3.98Å; I541-W626 HydrophobicContact CG2-CZ2 4.36Å; R569-W626 HydrophobicContact CG-CE3 3.99Å; F570-W626 WeakPolarHBondContact O-CA 3.48Å; R571-W626 HydrophobicContact CB-CD2 3.9Å; R571-W626 HydrophobicContact CB-CE3 3.76Å; R571-W626 HydrophobicContact CB-CG 4.46Å; R571-W626 HydrophobicContact CB-CH2 4.31Å; R571-W626 HydrophobicContact CB-CZ2 4.45Å; R571-W626 HydrophobicContact CB-CZ3 3.97Å; W626-M703 HydrophobicContact CD2-CE 3.86Å; W626-M703 VanDerWaalsContact CE2-CE 3.49Å; W626-M703 HydrophobicContact CE3-CB 4.14Å; W626-M703 HydrophobicContact CE3-CE 4.19Å; W626-M703 HydrophobicContact CH2-CB 3.71Å; W626-M703 HydrophobicContact CH2-CE 3.88Å; W626-M703 HydrophobicContact CZ2-CE 3.51Å; W626-M703 HydrophobicContact CZ3-CB 3.49Å; W626-M703 VanDerWaalsContact CZ3-CB 3.49Å; W626-M703 HydrophobicContact CZ3-CE 4.19Å; W626-Y741 HydrophobicContact CZ2-CE1 4.22Å |
| 627 | H | 96.5 | Very high | 93.4 | Very high | 7 Ų | 7 | 37.4 Ų | 37.4 | 3% | 0.032 | 19% | 0.185 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.7 | 140.8 | 173.9 | -59.5 | -75.3 | 0 | 0 | 0 | 110.8 | R569 F570 I621 D623 Q625 V642 D643 | R569-H627 CarbonylContact C-O 3.55Å; R569-H627 VanDerWaalsContact CA-O 3.26Å; R569-H627 WeakPolarHBondContact CA-O 3.39Å; F570-H627 PolarHBondContact N-O 3.39Å; F570-H627 PolarHBondContact O-N 2.97Å; I621-H627 WeakPolarHBondContact CA-NE2 3.45Å; I621-H627 HydrophobicContact CG2-CB 4.25Å; I621-H627 PolarHBondContact O-NE2 3Å; D623-H627 IonicContact OD1-CE1 3.5Å; D623-H627 IonicContact OD1-NE2 3.82Å; D623-H627 PolarHBondContact OD1-NE2 3.22Å; D623-H627 IonicContact OD2-CE1 3.74Å; D623-H627 IonicContact OD2-NE2 2.68Å; Q625-H627 PolarHBondContact O-CD2 2.88Å; Q625-H627 VanDerWaalsContact O-CD2 3.31Å; Q625-H627 PolarHBondContact O-N 3.27Å; H627-V642 HydrophobicContact CB-CG1 4.44Å; H627-D643 VanDerWaalsContact CA-OD1 3.27Å; H627-D643 WeakPolarHBondContact CA-OD1 3.2Å; H627-D643 IonicContact CE1-OD2 3.81Å; H627-D643 IonicContact CG-OD2 3.97Å; H627-D643 IonicContact ND1-OD2 2.53Å; H627-D643 PolarHBondContact ND1-OD2 2.7Å |
| 628 | T | 97.2 | Very high | 93.3 | Very high | 2 Ų | 2 | 37.3 Ų | 37.3 | 1% | 0.012 | 18% | 0.184 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.4 | 120.5 | 169.6 | -62.5 | 0 | 0 | 0 | 0 | 110.4 | S526 N527 T567 R569 K630 V642 D643 | S526-T628 PolarHBondContact O-OG1 3.45Å; N527-T628 WeakPolarHBondContact OD1-CB 3.47Å; N527-T628 WeakPolarHBondContact OD1-CG2 3.49Å; T567-T628 HydrophobicContact CG2-CG2 4.14Å; R569-T628 WeakPolarHBondContact CG-OG1 3.34Å; R569-T628 PolarHBondContact NH1-OG1 2.83Å; T628-K630 HydrophobicContact CG2-CG 4.09Å; T628-V642 WeakPolarHBondContact O-CA 3.41Å; T628-D643 PolarHBondContact N-OD1 2.8Å; T628-D643 PolarHBondContact O-N 2.86Å |
| 629 | V | 97.1 | Very high | 93.3 | Very high | 0 Ų | 0 | 36.3 Ų | 36.3 | 0% | 0 | 18% | 0.175 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -100.2 | 132 | 173 | -179.1 | 0 | 0 | 0 | 0 | 109.2 | T567 L568 F570 L595 L602 I631 F640 S641 V642 | T567-V629 CarbonylContact C-O 3.59Å; T567-V629 WeakPolarHBondContact CA-O 3.3Å; L568-V629 HydrophobicContact CB-CB 4.46Å; L568-V629 PolarHBondContact N-O 2.91Å; L568-V629 PolarHBondContact O-N 2.89Å; F570-V629 HydrophobicContact CD1-CG2 4.33Å; F570-V629 HydrophobicContact CE1-CG2 3.56Å; F570-V629 HydrophobicContact CZ-CG2 4.48Å; L595-V629 HydrophobicContact CD2-CG1 4.31Å; L602-V629 HydrophobicContact CD2-CB 4.26Å; L602-V629 HydrophobicContact CD2-CG1 3.86Å; L602-V629 HydrophobicContact CD2-CG2 3.35Å; V629-I631 HydrophobicContact CG1-CD1 4.17Å; V629-I631 HydrophobicContact CG1-CG1 4.18Å; V629-F640 HydrophobicContact CG1-CD2 4.38Å; V629-F640 HydrophobicContact CG1-CE2 3.9Å; V629-S641 CarbonylContact C-O 3.5Å; V629-S641 VanDerWaalsContact CA-O 3.29Å; V629-S641 WeakPolarHBondContact CA-O 3.18Å; V629-V642 HydrophobicContact CG2-CG1 4.49Å; V629-V642 HydrophobicContact CG2-CG2 4.19Å |
| 630 | K | 96.7 | Very high | 93.3 | Very high | 13 Ų | 13 | 35 Ų | 35 | 6% | 0.057 | 17% | 0.167 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.2 | 126.1 | 169.3 | -49.6 | 179.7 | 164.6 | -166.6 | 0 | 110.1 | D524 S526 L566 T567 T628 Y632 S641 | D524-K630 IonicContact OD2-NZ 3.65Å; D524-K630 PolarHBondContact OD2-NZ 2.79Å; S526-K630 VanDerWaalsContact OG-CE 3.29Å; S526-K630 WeakPolarHBondContact OG-CE 3.24Å; S526-K630 PolarHBondContact OG-NZ 2.86Å; L566-K630 CarbonylContact O-C 3.57Å; L566-K630 WeakPolarHBondContact O-CA 3.37Å; T567-K630 HydrophobicContact CG2-CG 4.07Å; T628-K630 HydrophobicContact CG2-CG 4.09Å; K630-Y632 HydrophobicContact CB-CD2 4.26Å; K630-Y632 HydrophobicContact CB-CE2 3.45Å; K630-Y632 VanDerWaalsContact CB-CE2 3.45Å; K630-Y632 HydrophobicContact CD-CE2 4.22Å; K630-Y632 HydrophobicContact CG-CE2 4.41Å; K630-S641 WeakPolarHBondContact CB-OG 3.06Å; K630-S641 PolarHBondContact N-O 3.19Å; K630-S641 PolarHBondContact O-N 2.87Å; K630-S641 PolarHBondContact O-OG 3.09Å |
| 631 | I | 96.1 | Very high | 93.2 | Very high | 1 Ų | 1 | 31.1 Ų | 31.1 | 1% | 0.005 | 15% | 0.152 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.6 | 122.5 | 176.3 | -66.2 | 162.6 | 0 | 0 | 0 | 108.2 | E565 L566 L595 L604 V629 L638 N639 F640 | E565-I631 WeakPolarHBondContact CA-O 3.3Å; L566-I631 HydrophobicContact CB-CB 4.27Å; L566-I631 HydrophobicContact CD2-CD1 4.06Å; L566-I631 PolarHBondContact N-O 2.88Å; L566-I631 PolarHBondContact O-N 3.15Å; L595-I631 HydrophobicContact CD1-CD1 3.71Å; L604-I631 HydrophobicContact CD1-CD1 3.66Å; L604-I631 HydrophobicContact CD2-CD1 3.88Å; L604-I631 HydrophobicContact CD2-CG1 4.07Å; L604-I631 HydrophobicContact CD2-CG2 4.2Å; L604-I631 HydrophobicContact CG-CD1 4.33Å; V629-I631 HydrophobicContact CG1-CD1 4.17Å; V629-I631 HydrophobicContact CG1-CG1 4.18Å; I631-L638 HydrophobicContact CG2-CD1 3.79Å; I631-N639 CarbonylContact C-O 3.58Å; I631-N639 VanDerWaalsContact CA-O 3.29Å; I631-N639 WeakPolarHBondContact CA-O 3.09Å; I631-F640 HydrophobicContact CD1-CD2 4.18Å; I631-F640 HydrophobicContact CD1-CE2 4.33Å; I631-F640 HydrophobicContact CG1-CD2 3.71Å; I631-F640 HydrophobicContact CG1-CE2 4.29Å |
| 632 | Y | 94.2 | Very high | 93.3 | Very high | 52 Ų | 52 | 31.1 Ų | 31.1 | 20% | 0.204 | 15% | 0.152 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.6 | 116.1 | 176.2 | -56.2 | -93.4 | 0 | 0 | 0 | 108.8 | E565 K630 N639 | E565-Y632 HydrophobicContact CB-CD1 4.34Å; E565-Y632 HydrophobicContact CG-CD1 3.64Å; E565-Y632 HydrophobicContact CG-CE1 3.52Å; E565-Y632 WeakPolarHBondContact OE1-CE1 3.42Å; K630-Y632 HydrophobicContact CB-CD2 4.26Å; K630-Y632 HydrophobicContact CB-CE2 3.45Å; K630-Y632 VanDerWaalsContact CB-CE2 3.45Å; K630-Y632 HydrophobicContact CD-CE2 4.22Å; K630-Y632 HydrophobicContact CG-CE2 4.41Å; Y632-N639 PolarHBondContact N-O 3.18Å; Y632-N639 PolarHBondContact O-N 3.29Å |
| 633 | R | 91.5 | Very high | 93.3 | Very high | 1 Ų | 1 | 33.5 Ų | 33.5 | 0% | 0.004 | 16% | 0.164 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.2 | 133.6 | 171.6 | -165.4 | -168 | 61.5 | 120 | -20.8 | 110.8 | S561 S562 V563 E564 Y606 Q635 V637 L638 I651 R656 | S561-R633 PolarHBondContact O-NH2 3.14Å; S562-R633 VanDerWaalsContact C-CZ 3.45Å; S562-R633 PolarHBondContact O-NH1 2.85Å; S562-R633 PolarHBondContact O-NH2 3.3Å; V563-R633 WeakPolarHBondContact CA-O 3.47Å; E564-R633 PolarHBondContact N-O 2.96Å; E564-R633 PolarHBondContact O-N 2.78Å; E564-R633 IonicContact OE1-CZ 2.7Å; E564-R633 IonicContact OE1-NE 2.7Å; E564-R633 IonicContact OE1-NH2 3.76Å; E564-R633 PolarHBondContact OE1-NH2 2.91Å; E564-R633 IonicContact OE2-CZ 3.73Å; E564-R633 VanDerWaalsContact OE2-CZ 3.23Å; E564-R633 IonicContact OE2-NE 3.21Å; E564-R633 PolarHBondContact OE2-NE 3.43Å; E564-R633 IonicContact OE2-NH2 2.71Å; E564-R633 PolarHBondContact OE2-NH2 3.4Å; Y606-R633 WeakPolarHBondContact OH-CD 3.49Å; Y606-R633 PolarHBondContact OH-NE 3.47Å; Y606-R633 PolarHBondContact OH-NH2 3.45Å; R633-Q635 PolarHBondContact NH1-O 2.86Å; R633-V637 CarbonylContact C-O 3.58Å; R633-V637 WeakPolarHBondContact CA-O 3.39Å; R633-V637 WeakPolarHBondContact CG-O 3.32Å; R633-L638 HydrophobicContact CB-CD1 3.9Å; R633-L638 HydrophobicContact CG-CD1 4.16Å; R633-I651 VanDerWaalsContact CD-CD1 3.46Å; R633-I651 HydrophobicContact CG-CD1 3.74Å; R633-R656 PolarHBondContact NH1-O 2.92Å; R633-R656 VanDerWaalsContact NH1-O 3.07Å |
| 634 | R | 88.6 | Confident | 93 | Very high | 62 Ų | 62 | 34.6 Ų | 34.6 | 23% | 0.234 | 17% | 0.17 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129 | 100 | 170.3 | -58.4 | -62.9 | 179.6 | -94.9 | 3.1 | 108.7 | W453 E564 E565 N636 V637 | W453-R634 HydrophobicContact CH2-CB 4.01Å; W453-R634 HydrophobicContact CZ3-CB 4.15Å; W453-R634 HydrophobicContact CZ3-CG 4.3Å; E564-R634 PolarHBondContact O-NH1 2.88Å; E564-R634 VanDerWaalsContact O-NH1 3.09Å; E565-R634 IonicContact OE2-NH2 3.64Å; E565-R634 PolarHBondContact OE2-NH2 2.84Å; R634-N636 PolarHBondContact O-N 2.94Å; R634-V637 PolarHBondContact N-O 2.81Å; R634-V637 PolarHBondContact O-N 2.89Å |
| 635 | Q | 84.9 | Confident | 93.1 | Very high | 59 Ų | 59 | 35.4 Ų | 35.4 | 28% | 0.276 | 17% | 0.174 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 51.3 | -104.9 | -172.8 | -72.1 | 170.5 | -18.7 | 0 | 0 | 111.9 | W453 S562 R633 | W453-Q635 HydrophobicContact CZ2-CG 3.69Å; S562-Q635 WeakPolarHBondContact O-CA 3.42Å; S562-Q635 PolarHBondContact O-N 2.86Å; R633-Q635 PolarHBondContact NH1-O 2.86Å |
| 636 | N | 83.9 | Confident | 92.8 | Very high | 66 Ų | 66 | 36 Ų | 36 | 35% | 0.353 | 18% | 0.175 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -94.2 | -1.5 | -177.7 | 68.8 | -48.8 | 0 | 0 | 0 | 113.4 | R634 D650 I651 | R634-N636 PolarHBondContact O-N 2.94Å; N636-D650 CarbonylContact O-C 3.51Å; N636-D650 WeakPolarHBondContact O-CA 3.36Å; N636-I651 PolarHBondContact O-N 3.32Å |
| 637 | V | 88.8 | Confident | 92.8 | Very high | 49 Ų | 49 | 36.7 Ų | 36.7 | 30% | 0.297 | 18% | 0.179 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -104 | 123.9 | 178.5 | -177.5 | 0 | 0 | 0 | 0 | 109.3 | R633 R634 T648 | R633-V637 CarbonylContact C-O 3.58Å; R633-V637 WeakPolarHBondContact CA-O 3.39Å; R633-V637 WeakPolarHBondContact CG-O 3.32Å; R634-V637 PolarHBondContact N-O 2.81Å; R634-V637 PolarHBondContact O-N 2.89Å; V637-T648 HydrophobicContact CG1-CG2 3.75Å |
| 638 | L | 92.1 | Very high | 92.6 | Very high | 0 Ų | 0 | 40.6 Ų | 40.6 | 0% | 0 | 20% | 0.204 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.7 | 115 | 178.8 | -179.6 | 67.4 | 0 | 0 | 0 | 110.1 | L604 Y615 I631 R633 T648 F649 I651 | L604-L638 HydrophobicContact CD2-CD1 4.24Å; L604-L638 HydrophobicContact CD2-CD2 3.77Å; L604-L638 HydrophobicContact CD2-CG 4.25Å; Y615-L638 HydrophobicContact CD2-CD2 3.77Å; Y615-L638 HydrophobicContact CE2-CD2 3.69Å; I631-L638 HydrophobicContact CG2-CD1 3.79Å; R633-L638 HydrophobicContact CB-CD1 3.9Å; R633-L638 HydrophobicContact CG-CD1 4.16Å; L638-T648 CarbonylContact O-C 3.13Å; L638-T648 WeakPolarHBondContact O-CA 3.15Å; L638-F649 HydrophobicContact CB-CB 4.41Å; L638-F649 PolarHBondContact N-O 2.84Å; L638-F649 PolarHBondContact O-N 2.71Å; L638-I651 HydrophobicContact CB-CD1 3.88Å; L638-I651 HydrophobicContact CB-CG1 4.05Å |
| 639 | N | 94.2 | Very high | 92.3 | Very high | 51 Ų | 51 | 42.9 Ų | 42.9 | 27% | 0.273 | 21% | 0.213 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -97.9 | 122.7 | 170.7 | -64.1 | -28.7 | 0 | 0 | 0 | 109.1 | I631 Y632 Q647 T648 | I631-N639 CarbonylContact C-O 3.58Å; I631-N639 VanDerWaalsContact CA-O 3.29Å; I631-N639 WeakPolarHBondContact CA-O 3.09Å; Y632-N639 PolarHBondContact N-O 3.18Å; Y632-N639 PolarHBondContact O-N 3.29Å; N639-Q647 CarbonylContact C-O 3.34Å; N639-Q647 WeakPolarHBondContact CA-O 3.28Å; N639-T648 WeakPolarHBondContact OD1-CB 3.17Å; N639-T648 WeakPolarHBondContact OD1-CG2 3.43Å; N639-T648 PolarHBondContact OD1-OG1 3.15Å |
| 640 | F | 96 | Very high | 91.7 | Very high | 0 Ų | 0 | 48.8 Ų | 48.8 | 0% | 0 | 25% | 0.245 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.1 | 117.4 | 177.8 | 176.7 | -152.7 | 0 | 0 | 0 | 109.1 | L595 L602 L604 N617 V629 I631 V642 Q647 F649 | L595-F640 HydrophobicContact CD1-CE2 4.3Å; L595-F640 HydrophobicContact CD1-CZ 4.41Å; L602-F640 HydrophobicContact CB-CZ 4.12Å; L602-F640 HydrophobicContact CD2-CE2 3.64Å; L602-F640 HydrophobicContact CD2-CZ 3.63Å; L602-F640 HydrophobicContact CG-CE2 4.33Å; L602-F640 HydrophobicContact CG-CZ 3.84Å; L604-F640 HydrophobicContact CB-CD1 4.02Å; L604-F640 HydrophobicContact CB-CE1 3.78Å; L604-F640 HydrophobicContact CB-CG 4.47Å; L604-F640 HydrophobicContact CB-CZ 4.06Å; L604-F640 HydrophobicContact CD2-CB 4.04Å; L604-F640 HydrophobicContact CD2-CD1 4.13Å; L604-F640 HydrophobicContact CD2-CD2 4.24Å; L604-F640 HydrophobicContact CD2-CG 3.9Å; N617-F640 HydrophobicContact CB-CD1 4.27Å; N617-F640 HydrophobicContact CB-CE1 3.57Å; N617-F640 HydrophobicContact CB-CE2 4.49Å; N617-F640 HydrophobicContact CB-CZ 3.69Å; V629-F640 HydrophobicContact CG1-CD2 4.38Å; V629-F640 HydrophobicContact CG1-CE2 3.9Å; I631-F640 HydrophobicContact CD1-CD2 4.18Å; I631-F640 HydrophobicContact CD1-CE2 4.33Å; I631-F640 HydrophobicContact CG1-CD2 3.71Å; I631-F640 HydrophobicContact CG1-CE2 4.29Å; F640-V642 HydrophobicContact CE2-CG2 3.96Å; F640-V642 HydrophobicContact CZ-CG2 4.24Å; F640-Q647 PolarHBondContact N-O 2.77Å; F640-Q647 PolarHBondContact O-N 3.47Å; F640-F649 HydrophobicContact CB-CE2 4.23Å; F640-F649 HydrophobicContact CD1-CE2 4.37Å |
| 641 | S | 95.5 | Very high | 90.9 | Very high | 2 Ų | 2 | 48.6 Ų | 48.6 | 1% | 0.014 | 25% | 0.245 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.8 | 142.5 | -178.9 | 67.4 | 0 | 0 | 0 | 0 | 112.4 | V629 K630 L645 F646 | V629-S641 CarbonylContact C-O 3.5Å; V629-S641 VanDerWaalsContact CA-O 3.29Å; V629-S641 WeakPolarHBondContact CA-O 3.18Å; K630-S641 WeakPolarHBondContact CB-OG 3.06Å; K630-S641 PolarHBondContact N-O 3.19Å; K630-S641 PolarHBondContact O-N 2.87Å; K630-S641 PolarHBondContact O-OG 3.09Å; S641-L645 VanDerWaalsContact CA-O 3.27Å; S641-L645 WeakPolarHBondContact CA-O 3.24Å; S641-F646 VanDerWaalsContact CB-CD1 3.42Å |
| 642 | V | 96.6 | Very high | 89.8 | Confident | 0 Ų | 0 | 51.7 Ų | 51.7 | 0% | 0 | 27% | 0.265 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.9 | 122.7 | 172.3 | -174.4 | 0 | 0 | 0 | 0 | 106.9 | L602 N617 V619 I621 H627 T628 V629 F640 N644 L645 | L602-V642 HydrophobicContact CD2-CG2 3.75Å; N617-V642 HydrophobicContact CB-CG2 3.76Å; V619-V642 HydrophobicContact CB-CB 4.13Å; V619-V642 HydrophobicContact CB-CG1 3.88Å; V619-V642 HydrophobicContact CG1-CG1 3.86Å; V619-V642 HydrophobicContact CG2-CB 4.17Å; V619-V642 HydrophobicContact CG2-CG1 4.32Å; I621-V642 HydrophobicContact CG2-CG1 3.99Å; H627-V642 HydrophobicContact CB-CG1 4.44Å; T628-V642 WeakPolarHBondContact O-CA 3.41Å; V629-V642 HydrophobicContact CG2-CG1 4.49Å; V629-V642 HydrophobicContact CG2-CG2 4.19Å; F640-V642 HydrophobicContact CE2-CG2 3.96Å; F640-V642 HydrophobicContact CZ-CG2 4.24Å; V642-N644 PolarHBondContact O-N 3.29Å; V642-N644 VanDerWaalsContact O-N 3.16Å; V642-L645 PolarHBondContact N-O 2.63Å; V642-L645 WeakPolarHBondContact O-CB 3.3Å; V642-L645 PolarHBondContact O-N 3.06Å |
| 643 | D | 94.1 | Very high | 88.4 | Confident | 60 Ų | 60 | 57.8 Ų | 57.8 | 32% | 0.321 | 29% | 0.292 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 50.1 | 39.9 | -178 | -62.4 | -25.2 | 0 | 0 | 0 | 114.6 | H627 T628 L645 | H627-D643 VanDerWaalsContact CA-OD1 3.27Å; H627-D643 WeakPolarHBondContact CA-OD1 3.2Å; H627-D643 IonicContact CE1-OD2 3.81Å; H627-D643 IonicContact CG-OD2 3.97Å; H627-D643 IonicContact ND1-OD2 2.53Å; H627-D643 PolarHBondContact ND1-OD2 2.7Å; T628-D643 PolarHBondContact N-OD1 2.8Å; T628-D643 PolarHBondContact O-N 2.86Å; D643-L645 PolarHBondContact O-N 2.89Å |
| 644 | N | 87.5 | Confident | 86.8 | Confident | 93 Ų | 93 | 63.4 Ų | 63.4 | 50% | 0.497 | 32% | 0.322 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 68.5 | 13.3 | -177 | -42.3 | -62.7 | 0 | 0 | 0 | 115 | N527 V642 F646 | N527-N644 PolarHBondContact ND2-OD1 2.78Å; N527-N644 VanDerWaalsContact ND2-OD1 3.15Å; V642-N644 PolarHBondContact O-N 3.29Å; V642-N644 VanDerWaalsContact O-N 3.16Å; N644-F646 HydrophobicContact CB-CE2 4.03Å; N644-F646 WeakPolarHBondContact O-CD2 3.04Å; N644-F646 VanDerWaalsContact O-CE2 3.25Å; N644-F646 WeakPolarHBondContact O-CE2 3.04Å; N644-F646 PolarHBondContact O-N 3.13Å |
| 645 | L | 93.8 | Very high | 85.6 | Confident | 76 Ų | 76 | 60.7 Ų | 60.7 | 40% | 0.398 | 31% | 0.314 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.1 | 99.7 | 164.9 | -170.2 | 141.2 | 0 | 0 | 0 | 109.1 | P618 V619 S641 V642 D643 Q647 | P618-L645 HydrophobicContact CG-CD1 4.44Å; P618-L645 HydrophobicContact CG-CD2 3.62Å; V619-L645 HydrophobicContact CG2-CB 4.11Å; V619-L645 HydrophobicContact CG2-CD1 4.33Å; S641-L645 VanDerWaalsContact CA-O 3.27Å; S641-L645 WeakPolarHBondContact CA-O 3.24Å; V642-L645 PolarHBondContact N-O 2.63Å; V642-L645 WeakPolarHBondContact O-CB 3.3Å; V642-L645 PolarHBondContact O-N 3.06Å; D643-L645 PolarHBondContact O-N 2.89Å; L645-Q647 HydrophobicContact CD2-CG 4.43Å |
| 646 | F | 89.5 | Confident | 84.8 | Confident | 128 Ų | 128 | 65.4 Ų | 65.4 | 56% | 0.561 | 33% | 0.329 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -87.2 | 138 | -174.6 | -63.6 | -91.4 | 0 | 0 | 0 | 112.4 | S641 N644 | S641-F646 VanDerWaalsContact CB-CD1 3.42Å; N644-F646 HydrophobicContact CB-CE2 4.03Å; N644-F646 WeakPolarHBondContact O-CD2 3.04Å; N644-F646 VanDerWaalsContact O-CE2 3.25Å; N644-F646 WeakPolarHBondContact O-CE2 3.04Å; N644-F646 PolarHBondContact O-N 3.13Å |
| 647 | Q | 93.8 | Very high | 84.7 | Confident | 48 Ų | 48 | 64.6 Ų | 64.6 | 22% | 0.224 | 32% | 0.322 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.7 | 136.5 | 165.2 | -63.9 | -179.6 | -22.6 | 0 | 0 | 108.8 | H616 N639 F640 L645 F649 | H616-Q647 PolarHBondContact O-OE1 3.05Å; H616-Q647 VanDerWaalsContact O-OE1 3.05Å; N639-Q647 CarbonylContact C-O 3.34Å; N639-Q647 WeakPolarHBondContact CA-O 3.28Å; F640-Q647 PolarHBondContact N-O 2.77Å; F640-Q647 PolarHBondContact O-N 3.47Å; L645-Q647 HydrophobicContact CD2-CG 4.43Å; Q647-F649 HydrophobicContact CB-CE2 3.64Å; Q647-F649 HydrophobicContact CB-CZ 3.75Å; Q647-F649 HydrophobicContact CG-CZ 4.5Å |
| 648 | T | 92.7 | Very high | 84.7 | Confident | 89 Ų | 89 | 62.3 Ų | 62.3 | 55% | 0.546 | 31% | 0.308 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.6 | 133.2 | 176.7 | -61 | 0 | 0 | 0 | 0 | 108.8 | V637 L638 N639 | V637-T648 HydrophobicContact CG1-CG2 3.75Å; L638-T648 CarbonylContact O-C 3.13Å; L638-T648 WeakPolarHBondContact O-CA 3.15Å; N639-T648 WeakPolarHBondContact OD1-CB 3.17Å; N639-T648 WeakPolarHBondContact OD1-CG2 3.43Å; N639-T648 PolarHBondContact OD1-OG1 3.15Å |
| 649 | F | 90.5 | Very high | 84.4 | Confident | 50 Ų | 50 | 63 Ų | 63 | 22% | 0.219 | 31% | 0.313 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.1 | 142 | -178.8 | -57 | -78.8 | 0 | 0 | 0 | 110.7 | Y615 L638 F640 Q647 | Y615-F649 HydrophobicContact CD1-CB 4Å; Y615-F649 AromaticContact CD1-CD1 3.31Å; Y615-F649 HydrophobicContact CD1-CD1 3.31Å; Y615-F649 AromaticContact CD1-CD2 3.64Å; Y615-F649 HydrophobicContact CD1-CD2 3.64Å; Y615-F649 AromaticContact CD1-CE1 3.53Å; Y615-F649 HydrophobicContact CD1-CE1 3.53Å; Y615-F649 AromaticContact CD1-CE2 3.84Å; Y615-F649 HydrophobicContact CD1-CE2 3.84Å; Y615-F649 AromaticContact CD1-CG 3.36Å; Y615-F649 HydrophobicContact CD1-CG 3.36Å; Y615-F649 AromaticContact CD1-CZ 3.77Å; Y615-F649 HydrophobicContact CD1-CZ 3.77Å; Y615-F649 HydrophobicContact CE1-CB 3.54Å; Y615-F649 AromaticContact CE1-CD1 3.48Å; Y615-F649 HydrophobicContact CE1-CD1 3.48Å; Y615-F649 VanDerWaalsContact CE1-CD1 3.48Å; Y615-F649 HydrophobicContact CE1-CD2 4.11Å; Y615-F649 HydrophobicContact CE1-CE1 4.15Å; Y615-F649 AromaticContact CE1-CG 3.44Å; Y615-F649 HydrophobicContact CE1-CG 3.44Å; Y615-F649 VanDerWaalsContact CE1-CG 3.44Å; Y615-F649 HydrophobicContact CG-CD1 4.37Å; Y615-F649 AromaticContact CG-CD2 3.94Å; Y615-F649 HydrophobicContact CG-CD2 3.94Å; Y615-F649 HydrophobicContact CG-CE1 4.43Å; Y615-F649 HydrophobicContact CG-CE2 4.01Å; Y615-F649 HydrophobicContact CG-CG 4.11Å; Y615-F649 HydrophobicContact CG-CZ 4.25Å; L638-F649 HydrophobicContact CB-CB 4.41Å; L638-F649 PolarHBondContact N-O 2.84Å; L638-F649 PolarHBondContact O-N 2.71Å; F640-F649 HydrophobicContact CB-CE2 4.23Å; F640-F649 HydrophobicContact CD1-CE2 4.37Å; Q647-F649 HydrophobicContact CB-CE2 3.64Å; Q647-F649 HydrophobicContact CB-CZ 3.75Å; Q647-F649 HydrophobicContact CG-CZ 4.5Å |
| 650 | D | 85.1 | Confident | 84.1 | Confident | 124 Ų | 124 | 60.7 Ų | 60.7 | 66% | 0.663 | 30% | 0.3 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -90.7 | 113.3 | 168.8 | -70.6 | -46.7 | 0 | 0 | 0 | 109.4 | N636 | N636-D650 CarbonylContact O-C 3.51Å; N636-D650 WeakPolarHBondContact O-CA 3.36Å |
| 651 | I | 80.2 | Confident | 83.5 | Confident | 9 Ų | 9 | 61.6 Ų | 61.6 | 5% | 0.046 | 30% | 0.303 | C | S | . | . | trans | -73.5 | 132.9 | 174 | -56.7 | 162.8 | 0 | 0 | 0 | 108.4 | Y606 L608 R633 N636 L638 | Y606-I651 HydrophobicContact CD1-CD1 3.93Å; Y606-I651 HydrophobicContact CD1-CG1 4.39Å; Y606-I651 HydrophobicContact CD1-CG2 4.37Å; Y606-I651 HydrophobicContact CE1-CD1 3.66Å; Y606-I651 HydrophobicContact CE1-CG2 4.4Å; L608-I651 HydrophobicContact CD1-CG2 4.27Å; R633-I651 VanDerWaalsContact CD-CD1 3.46Å; R633-I651 HydrophobicContact CG-CD1 3.74Å; N636-I651 PolarHBondContact O-N 3.32Å; L638-I651 HydrophobicContact CB-CD1 3.88Å; L638-I651 HydrophobicContact CB-CG1 4.05Å | ||
| 652 | P | 72.9 | Confident | 83.2 | Confident | 66 Ų | 66 | 61.8 Ų | 61.8 | 43% | 0.429 | 30% | 0.304 | S | S | . | . | trans | -51.7 | 145.5 | 173.7 | -26.5 | 34.6 | 0 | 0 | 0 | 112.6 | D654 | P652-D654 PolarHBondContact O-N 2.65Å; P652-D654 VanDerWaalsContact O-N 3.14Å | ||
| 653 | K | 63.6 | Low | 83 | Confident | 181 Ų | 181 | 61.8 Ų | 61.8 | 79% | 0.787 | 30% | 0.304 | S | S | * | . | S | Bend | trans | -66.9 | -13.7 | -174.5 | -71 | -173.7 | 177 | -177.1 | 0 | 114.9 | G655 | K653-G655 PolarHBondContact O-N 2.73Š|
| 654 | D | 59.6 | Low | 82.9 | Confident | 118 Ų | 118 | 59 Ų | 59 | 63% | 0.631 | 29% | 0.289 | S | S | * | . | S | Bend | trans | -79.1 | 104.4 | -180 | -63.3 | -21 | 0 | 0 | 0 | 108.3 | P652 | P652-D654 PolarHBondContact O-N 2.65Å; P652-D654 VanDerWaalsContact O-N 3.14Å |
| 655 | G | 62 | Low | 83.2 | Confident | 6 Ų | 6 | 54.5 Ų | 54.5 | 6% | 0.062 | 27% | 0.265 | C | S | . | . | trans | 97 | 110.8 | -170.4 | 0 | 0 | 0 | 0 | 0 | 112.6 | L608 K653 T1423 | L608-G655 WeakPolarHBondContact CD1-O 3.34Å; L608-G655 VanDerWaalsContact O-CA 3.32Å; L608-G655 WeakPolarHBondContact O-CA 3.33Å; K653-G655 PolarHBondContact O-N 2.73Å; G655-T1423 VanDerWaalsContact CA-CG2 3.4Å | ||
| 656 | R | 68.7 | Low | 83 | Confident | 158 Ų | 158 | 50.9 Ų | 50.9 | 60% | 0.596 | 25% | 0.246 | S | C | * | . | trans | -104.1 | -26.7 | 176.4 | -65.9 | -173.2 | -173.4 | -177.5 | 2.7 | 113.6 | R633 | R633-R656 PolarHBondContact NH1-O 2.92Å; R633-R656 VanDerWaalsContact NH1-O 3.07Å | ||
| 657 | Y | 82.5 | Confident | 82.6 | Confident | 49 Ų | 49 | 45.2 Ų | 45.2 | 19% | 0.192 | 22% | 0.222 | C | C | . | . | trans | -116.3 | 129.6 | -169.5 | -51.2 | -65.8 | 0 | 0 | 0 | 110.2 | P450 E451 S561 S659 | P450-Y657 HydrophobicContact CB-CD1 3.37Å; P450-Y657 HydrophobicContact CB-CE1 3.53Å; P450-Y657 HydrophobicContact CB-CG 4.25Å; P450-Y657 HydrophobicContact CG-CD1 4.11Å; P450-Y657 HydrophobicContact CG-CE1 4.28Å; E451-Y657 HydrophobicContact CG-CE1 4.35Å; E451-Y657 VanDerWaalsContact OE1-CZ 3.23Å; E451-Y657 PolarHBondContact OE1-OH 2.96Å; S561-Y657 CarbonylContact O-C 3.6Å; S561-Y657 VanDerWaalsContact O-CA 3.24Å; S561-Y657 WeakPolarHBondContact O-CA 3.46Å; Y657-S659 PolarHBondContact O-N 2.54Å | ||
| 658 | L | 87.6 | Confident | 81.8 | Confident | 0 Ų | 0 | 44.5 Ų | 44.5 | 0% | 0 | 22% | 0.222 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -77.1 | 116.6 | 166.8 | 177 | 67.2 | 0 | 0 | 0 | 107.6 | Q560 S561 E564 D591 L593 Y606 L608 | Q560-L658 WeakPolarHBondContact CA-O 3.36Å; S561-L658 PolarHBondContact N-O 3.49Å; S561-L658 VanDerWaalsContact N-O 3.1Å; S561-L658 PolarHBondContact O-N 2.94Å; E564-L658 HydrophobicContact CG-CD2 3.94Å; D591-L658 HydrophobicContact CB-CD1 4.36Å; L593-L658 HydrophobicContact CB-CD1 4.48Å; L593-L658 HydrophobicContact CB-CD2 3.93Å; Y606-L658 HydrophobicContact CE2-CD1 4.48Å; L608-L658 VanDerWaalsContact CD2-CA 3.5Å; L608-L658 HydrophobicContact CD2-CB 3.84Å; L608-L658 HydrophobicContact CD2-CD1 4.17Å |
| 659 | S | 85.5 | Confident | 80.9 | Confident | 15 Ų | 15 | 40.8 Ų | 40.8 | 11% | 0.105 | 20% | 0.199 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -91.5 | 115.6 | 170.7 | -161.9 | 0 | 0 | 0 | 0 | 110.7 | P558 I559 D591 Y657 | P558-S659 VanDerWaalsContact CB-OG 3.25Å; P558-S659 WeakPolarHBondContact CB-OG 3.33Å; I559-S659 WeakPolarHBondContact O-CA 3.43Å; D591-S659 WeakPolarHBondContact CB-O 3.49Å; D591-S659 WeakPolarHBondContact OD2-CB 3.27Å; D591-S659 PolarHBondContact OD2-N 3.05Å; Y657-S659 PolarHBondContact O-N 2.54Å |
| 660 | H | 87.9 | Confident | 79.6 | Confident | 2 Ų | 2 | 42 Ų | 42 | 1% | 0.009 | 21% | 0.207 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -144.3 | 162.2 | 178 | 71.7 | 107.2 | 0 | 0 | 0 | 113 | F554 P558 I559 T582 | F554-H660 AromaticContact CD2-CE1 3.65Å; F554-H660 AromaticContact CD2-ND1 3.69Å; F554-H660 AromaticContact CE2-CE1 3.62Å; F554-H660 AromaticContact CE2-ND1 3.79Å; P558-H660 WeakPolarHBondContact CA-O 3.22Å; I559-H660 WeakPolarHBondContact CG1-O 3.16Å; I559-H660 PolarHBondContact N-O 2.82Å; I559-H660 PolarHBondContact O-N 3.43Å; T582-H660 HydrophobicContact CG2-CB 4.47Å |
| 661 | R | 84.5 | Confident | 78.3 | Confident | 19 Ų | 19 | 37.8 Ų | 37.8 | 7% | 0.072 | 19% | 0.188 | C | C | . | . | S | Bend | trans | -121.9 | -27.3 | -179.5 | -68.8 | 170.6 | 62.2 | 106.6 | 0.5 | 113.2 | F554 S555 P556 L557 P558 L587 N1164 | F554-R661 WeakPolarHBondContact CB-O 3.36Å; F554-R661 PolarHBondContact N-O 2.97Å; S555-R661 PolarHBondContact N-O 3.21Å; P556-R661 VanDerWaalsContact CA-NH2 3.3Å; P556-R661 PolarHBondContact O-NH1 2.82Å; P556-R661 PolarHBondContact O-NH2 3.07Å; L557-R661 VanDerWaalsContact CA-NH1 3.34Å; P558-R661 HydrophobicContact CB-CG 4.14Å; L587-R661 HydrophobicContact CD1-CG 4.19Å; R661-N1164 PolarHBondContact NH2-O 3.14Å |
| 662 | H | 88.8 | Confident | 77.2 | Confident | 7 Ų | 7 | 38.1 Ų | 38.1 | 3% | 0.032 | 19% | 0.19 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -147.2 | 175.2 | -175.7 | 60.2 | -111 | 0 | 0 | 0 | 110.1 | W551 I552 R583 E669 | W551-H662 AromaticContact NE1-CG 3.58Å; I552-H662 CarbonylContact O-C 3.55Å; I552-H662 WeakPolarHBondContact O-CA 3.29Å; I552-H662 WeakPolarHBondContact O-CB 3.35Å; R583-H662 PolarHBondContact O-NE2 2.04Å; H662-E669 IonicContact CE1-OE1 3.33Å; H662-E669 PolarHBondContact CE1-OE1 2.85Å; H662-E669 VanDerWaalsContact CE1-OE1 3.27Å; H662-E669 IonicContact CE1-OE2 2.79Å; H662-E669 PolarHBondContact CE1-OE2 3.02Å; H662-E669 VanDerWaalsContact CE1-OE2 3.29Å; H662-E669 IonicContact ND1-OE1 3.67Å; H662-E669 IonicContact NE2-OE2 2.75Å |
| 663 | L | 93 | Very high | 76.4 | Confident | 0 Ų | 0 | 35.1 Ų | 35.1 | 0% | 0 | 17% | 0.17 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -138.9 | 129.8 | 168 | -175.6 | 165.2 | 0 | 0 | 0 | 107.6 | I552 F554 L580 T581 T582 F705 F707 | I552-L663 HydrophobicContact CD1-CD2 4.32Å; I552-L663 PolarHBondContact N-O 3.08Å; I552-L663 PolarHBondContact O-N 3.49Å; F554-L663 HydrophobicContact CE2-CB 3.75Å; F554-L663 HydrophobicContact CZ-CB 4.17Å; L580-L663 HydrophobicContact CD1-CD1 4.1Å; L580-L663 HydrophobicContact CD1-CD2 3.68Å; L580-L663 HydrophobicContact CD1-CG 4.17Å; L580-L663 HydrophobicContact CD2-CD1 4.29Å; L580-L663 HydrophobicContact CD2-CD2 4.39Å; L580-L663 HydrophobicContact CD2-CG 4.15Å; L580-L663 HydrophobicContact CG-CD1 4.42Å; L580-L663 HydrophobicContact CG-CD2 3.75Å; L580-L663 HydrophobicContact CG-CG 4.06Å; T581-L663 CarbonylContact O-C 3.51Å; T581-L663 WeakPolarHBondContact O-CA 3.34Å; T582-L663 HydrophobicContact CG2-CB 4.49Å; T582-L663 HydrophobicContact CG2-CG 4.41Å; L663-F705 HydrophobicContact CD1-CE2 4.43Å; L663-F705 HydrophobicContact CD1-CZ 4.17Å; L663-F705 HydrophobicContact CD2-CE1 4.33Å; L663-F705 HydrophobicContact CD2-CE2 4.17Å; L663-F705 HydrophobicContact CD2-CZ 3.47Å; L663-F705 VanDerWaalsContact CD2-CZ 3.47Å; L663-F705 HydrophobicContact CG-CZ 4.45Å; L663-F707 HydrophobicContact CD1-CB 4.38Å; L663-F707 HydrophobicContact CD1-CD1 4.06Å; L663-F707 HydrophobicContact CD1-CD2 3.77Å; L663-F707 HydrophobicContact CD1-CE1 4.26Å; L663-F707 HydrophobicContact CD1-CE2 3.98Å; L663-F707 HydrophobicContact CD1-CG 3.8Å; L663-F707 HydrophobicContact CD1-CZ 4.22Å |
| 664 | I | 91.9 | Very high | 75.8 | Confident | 0 Ų | 0 | 29.5 Ų | 29.5 | 0% | 0 | 15% | 0.149 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.9 | 128.4 | 178.7 | -54.7 | 167 | 0 | 0 | 0 | 108.2 | W549 L550 W551 L580 T581 N667 E669 L672 | W549-I664 HydrophobicContact CB-CG2 4.47Å; L550-I664 WeakPolarHBondContact O-CA 3.11Å; W551-I664 HydrophobicContact CB-CG1 4.46Å; W551-I664 HydrophobicContact CD2-CD1 4.19Å; W551-I664 HydrophobicContact CD2-CG1 4.04Å; W551-I664 HydrophobicContact CE3-CD1 4.49Å; W551-I664 HydrophobicContact CG-CG1 3.95Å; W551-I664 HydrophobicContact CH2-CD1 4.49Å; W551-I664 HydrophobicContact CZ2-CD1 4.21Å; L580-I664 CarbonylContact C-O 3.59Å; L580-I664 VanDerWaalsContact CA-O 3.32Å; L580-I664 WeakPolarHBondContact CA-O 3.07Å; T581-I664 HydrophobicContact CG2-CB 4.31Å; T581-I664 PolarHBondContact N-O 2.8Å; T581-I664 PolarHBondContact O-N 2.91Å; I664-N667 HydrophobicContact CG2-CB 4.33Å; I664-N667 WeakPolarHBondContact CG2-O 3.42Å; I664-E669 HydrophobicContact CD1-CB 3.69Å; I664-E669 HydrophobicContact CD1-CG 4.31Å; I664-L672 HydrophobicContact CD1-CD1 4.29Å |
| 665 | L | 93.4 | Very high | 75.3 | Confident | 0 Ų | 0 | 29.2 Ų | 29.2 | 0% | 0 | 14% | 0.143 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.3 | 129.8 | 176.2 | -171 | 78.1 | 0 | 0 | 0 | 108.6 | F544 W549 L550 L568 L579 L580 N667 I702 F705 | F544-L665 HydrophobicContact CE2-CD2 4.48Å; F544-L665 HydrophobicContact CZ-CD2 3.93Å; F544-L665 HydrophobicContact CZ-CG 4.35Å; W549-L665 CarbonylContact C-O 3.56Å; W549-L665 VanDerWaalsContact CA-O 3.23Å; W549-L665 WeakPolarHBondContact CA-O 3.45Å; W549-L665 WeakPolarHBondContact CB-O 3.34Å; L550-L665 HydrophobicContact CB-CB 4.16Å; L550-L665 HydrophobicContact CB-CD2 4.32Å; L550-L665 HydrophobicContact CD1-CD2 4.49Å; L550-L665 PolarHBondContact N-O 3.22Å; L550-L665 PolarHBondContact O-N 2.89Å; L568-L665 HydrophobicContact CD1-CD1 4Å; L568-L665 HydrophobicContact CD2-CD1 4.42Å; L579-L665 HydrophobicContact CD1-CD1 4.43Å; L579-L665 CarbonylContact O-C 3.54Å; L579-L665 WeakPolarHBondContact O-CA 3.32Å; L579-L665 VanDerWaalsContact O-CD1 3.29Å; L579-L665 WeakPolarHBondContact O-CD1 3.22Å; L580-L665 HydrophobicContact CB-CD1 4.13Å; L580-L665 HydrophobicContact CD1-CD1 3.97Å; L580-L665 HydrophobicContact CG-CD1 4.45Å; L665-N667 PolarHBondContact O-N 3.16Å; L665-I702 HydrophobicContact CD1-CD1 3.99Å; L665-I702 HydrophobicContact CD2-CD1 3.39Å; L665-I702 HydrophobicContact CG-CD1 3.7Å; L665-F705 HydrophobicContact CD2-CD1 3.81Å; L665-F705 HydrophobicContact CD2-CE1 4.12Å; L665-F705 HydrophobicContact CD2-CG 4.16Å |
| 666 | G | 89.1 | Confident | 74.8 | Confident | 0 Ų | 0 | 31.5 Ų | 31.5 | 0% | 0 | 15% | 0.154 | C | C | . | . | S | Bend | trans | 84.9 | -9.9 | 176.1 | 0 | 0 | 0 | 0 | 0 | 117.1 | L579 F698 | L579-G666 PolarHBondContact O-N 3.1Å; G666-F698 PolarHBondContact O-N 3.38Å |
| 667 | N | 81.8 | Confident | 73.8 | Confident | 8 Ų | 8 | 25 Ų | 25 | 4% | 0.043 | 13% | 0.131 | C | C | . | . | S | Bend | trans | -151.7 | 177.7 | 179.3 | -157.8 | -8.9 | 0 | 0 | 0 | 111.3 | W549 F578 I664 L665 S671 | W549-N667 HydrophobicContact CB-CB 3.9Å; F578-N667 VanDerWaalsContact CD1-O 3.29Å; F578-N667 WeakPolarHBondContact CD1-O 3.44Å; F578-N667 WeakPolarHBondContact CE1-O 3.35Å; I664-N667 HydrophobicContact CG2-CB 4.33Å; I664-N667 WeakPolarHBondContact CG2-O 3.42Å; L665-N667 PolarHBondContact O-N 3.16Å; N667-S671 WeakPolarHBondContact OD1-CB 3.45Å; N667-S671 PolarHBondContact OD1-OG 3Å |
| 668 | S | 77.4 | Confident | 71.9 | Confident | 34 Ų | 34 | 28 Ų | 28 | 24% | 0.238 | 15% | 0.15 | C | C | . | . | trans | -119 | 152.4 | 178.6 | 64.4 | 0 | 0 | 0 | 0 | 112.8 | D670 S671 L672 | S668-D670 VanDerWaalsContact C-N 3.32Å; S668-D670 PolarHBondContact O-N 3.12Å; S668-S671 WeakPolarHBondContact O-CB 2.9Å; S668-S671 PolarHBondContact O-N 3.31Å; S668-S671 WeakPolarHBondContact OG-CB 3.29Å; S668-L672 PolarHBondContact O-N 3.18Å | ||
| 669 | E | 73 | Confident | 69.6 | Low | 11 Ų | 11 | 30.2 Ų | 30.2 | 5% | 0.051 | 16% | 0.164 | C | C | . | . | H | α-helix | trans | -65.3 | -33 | 179.9 | -163.8 | -178.2 | -147.8 | 0 | 0 | 112.5 | W551 S584 S585 H662 I664 L672 T673 | W551-E669 HydrophobicContact CH2-CG 3.96Å; W551-E669 HydrophobicContact CZ2-CG 4.19Å; S584-E669 WeakPolarHBondContact CA-OE2 3.26Å; S584-E669 PolarHBondContact OG-OE2 3.05Å; S585-E669 WeakPolarHBondContact CB-OE2 3.24Å; S585-E669 PolarHBondContact N-OE2 3.1Å; S585-E669 PolarHBondContact OG-OE2 3.2Å; H662-E669 IonicContact CE1-OE1 3.33Å; H662-E669 PolarHBondContact CE1-OE1 2.85Å; H662-E669 VanDerWaalsContact CE1-OE1 3.27Å; H662-E669 IonicContact CE1-OE2 2.79Å; H662-E669 PolarHBondContact CE1-OE2 3.02Å; H662-E669 VanDerWaalsContact CE1-OE2 3.29Å; H662-E669 IonicContact ND1-OE1 3.67Å; H662-E669 IonicContact NE2-OE2 2.75Å; I664-E669 HydrophobicContact CD1-CB 3.69Å; I664-E669 HydrophobicContact CD1-CG 4.31Å; E669-L672 PolarHBondContact O-N 2.85Å; E669-T673 VanDerWaalsContact O-CB 3.22Å; E669-T673 WeakPolarHBondContact O-CB 3.4Å; E669-T673 PolarHBondContact O-N 2.92Å; E669-T673 PolarHBondContact O-OG1 3.2Å |
| 670 | D | 64.3 | Low | 67.4 | Low | 74 Ų | 74 | 30.9 Ų | 30.9 | 40% | 0.396 | 17% | 0.168 | S | C | . | . | H | α-helix | trans | -63.7 | -41.8 | 177.1 | -83 | -45.5 | 0 | 0 | 0 | 112.3 | S668 L672 T673 N674 K1096 | S668-D670 VanDerWaalsContact C-N 3.32Å; S668-D670 PolarHBondContact O-N 3.12Å; D670-L672 VanDerWaalsContact C-N 3.28Å; D670-L672 PolarHBondContact O-N 3.02Å; D670-T673 PolarHBondContact O-N 3.47Å; D670-N674 WeakPolarHBondContact O-CB 3.32Å; D670-N674 PolarHBondContact O-N 3.07Å; D670-N674 PolarHBondContact O-ND2 3.22Å; D670-K1096 IonicContact OD1-NZ 3.39Å; D670-K1096 PolarHBondContact OD1-NZ 3.25Å |
| 671 | S | 57.6 | Low | 65.1 | Low | 37 Ų | 37 | 34.2 Ų | 34.2 | 26% | 0.259 | 19% | 0.189 | S | C | . | . | H | α-helix | trans | -57.8 | -43.4 | 174.1 | -171.3 | 0 | 0 | 0 | 0 | 111.2 | N667 S668 | N667-S671 WeakPolarHBondContact OD1-CB 3.45Å; N667-S671 PolarHBondContact OD1-OG 3Å; S668-S671 WeakPolarHBondContact O-CB 2.9Å; S668-S671 PolarHBondContact O-N 3.31Å; S668-S671 WeakPolarHBondContact OG-CB 3.29Å |
| 672 | L | 57.3 | Low | 62.6 | Low | 16 Ų | 16 | 38.8 Ų | 38.8 | 8% | 0.084 | 21% | 0.211 | C | C | . | . | H | α-helix | trans | -74.7 | -34.6 | 179.8 | -64.9 | 163 | 0 | 0 | 0 | 112.9 | W549 W551 I664 S668 E669 D670 | W549-L672 HydrophobicContact CD2-CD2 4.22Å; W549-L672 HydrophobicContact CE3-CD2 4.25Å; W549-L672 HydrophobicContact CH2-CD2 4.22Å; W549-L672 HydrophobicContact CZ2-CD2 4.19Å; W549-L672 HydrophobicContact CZ3-CD2 4.25Å; W551-L672 HydrophobicContact CE3-CD1 3.62Å; W551-L672 HydrophobicContact CH2-CD1 4.36Å; W551-L672 HydrophobicContact CZ3-CB 4.08Å; W551-L672 HydrophobicContact CZ3-CD1 3.45Å; W551-L672 VanDerWaalsContact CZ3-CD1 3.45Å; W551-L672 HydrophobicContact CZ3-CG 4.29Å; I664-L672 HydrophobicContact CD1-CD1 4.29Å; S668-L672 PolarHBondContact O-N 3.18Å; E669-L672 PolarHBondContact O-N 2.85Å; D670-L672 VanDerWaalsContact C-N 3.28Å; D670-L672 PolarHBondContact O-N 3.02Å |
| 673 | T | 55.5 | Low | 59.9 | Low | 2 Ų | 2 | 47 Ų | 47 | 1% | 0.012 | 25% | 0.247 | C | C | . | . | H | α-helix | trans | -78.3 | -35.8 | -178.1 | -61.6 | 0 | 0 | 0 | 0 | 112.1 | E669 D670 Q675 L676 I677 L1020 | E669-T673 VanDerWaalsContact O-CB 3.22Å; E669-T673 WeakPolarHBondContact O-CB 3.4Å; E669-T673 PolarHBondContact O-N 2.92Å; E669-T673 PolarHBondContact O-OG1 3.2Å; D670-T673 PolarHBondContact O-N 3.47Å; T673-Q675 PolarHBondContact O-N 2.8Å; T673-L676 WeakPolarHBondContact O-CB 3.11Å; T673-L676 PolarHBondContact O-N 3.44Å; T673-I677 HydrophobicContact CG2-CD1 3.93Å; T673-I677 PolarHBondContact O-N 3.12Å; T673-L1020 HydrophobicContact CG2-CD2 3.64Å |
| 674 | N | 50.3 | Low | 56.9 | Low | 63 Ų | 63 | 54.9 Ų | 54.9 | 34% | 0.337 | 28% | 0.276 | S | S | . | . | H | α-helix | trans | -63 | -32.2 | 175.9 | -68.4 | -16.3 | 0 | 0 | 0 | 111.3 | D670 L676 I677 D678 K1096 | D670-N674 WeakPolarHBondContact O-CB 3.32Å; D670-N674 PolarHBondContact O-N 3.07Å; D670-N674 PolarHBondContact O-ND2 3.22Å; N674-L676 PolarHBondContact O-N 3.47Å; N674-I677 PolarHBondContact O-N 3.4Å; N674-D678 WeakPolarHBondContact O-CB 3.4Å; N674-D678 PolarHBondContact O-N 3.36Å; N674-K1096 PolarHBondContact OD1-NZ 3.07Å |
| 675 | Q | 50.2 | Low | 53.9 | Low | 112 Ų | 112 | 60.1 Ų | 60.1 | 52% | 0.523 | 30% | 0.3 | S | S | . | . | H | α-helix | trans | -59.4 | -29.4 | 171.8 | -68.7 | -179.5 | -11.4 | 0 | 0 | 113.6 | T673 T679 | T673-Q675 PolarHBondContact O-N 2.8Å; Q675-T679 PolarHBondContact O-OG1 3.08Å |
| 676 | L | 50 | Low | 50.8 | Low | 55 Ų | 55 | 64.4 Ų | 64.4 | 29% | 0.288 | 32% | 0.323 | S | S | . | . | H | α-helix | trans | -82.3 | -37 | 178.1 | -67.4 | 169.8 | 0 | 0 | 0 | 112.9 | T673 N674 I969 | T673-L676 WeakPolarHBondContact O-CB 3.11Å; T673-L676 PolarHBondContact O-N 3.44Å; N674-L676 PolarHBondContact O-N 3.47Å; L676-I969 HydrophobicContact CD1-CD1 4.28Å; L676-I969 HydrophobicContact CD2-CD1 3.91Å; L676-I969 HydrophobicContact CD2-CG1 4.38Å |
| 677 | I | 47.8 | Very low | 48.3 | Very low | 20 Ų | 20 | 68.6 Ų | 68.6 | 10% | 0.103 | 35% | 0.345 | C | S | . | . | H | α-helix | trans | -83.4 | -37.3 | -173.9 | -66.5 | 174 | 0 | 0 | 0 | 111.2 | T673 N674 T679 I1094 K1096 I1101 | T673-I677 HydrophobicContact CG2-CD1 3.93Å; T673-I677 PolarHBondContact O-N 3.12Å; N674-I677 PolarHBondContact O-N 3.4Å; I677-T679 VanDerWaalsContact C-N 3.34Å; I677-I1094 HydrophobicContact CG1-CG2 4.3Å; I677-K1096 HydrophobicContact CD1-CB 3.64Å; I677-K1096 HydrophobicContact CD1-CD 3.3Å; I677-K1096 HydrophobicContact CD1-CG 4.05Å; I677-I1101 HydrophobicContact CB-CD1 4.47Å; I677-I1101 HydrophobicContact CG2-CD1 3.72Å |
| 678 | D | 42.5 | Very low | 46.1 | Very low | 113 Ų | 113 | 76.4 Ų | 76.4 | 60% | 0.604 | 38% | 0.378 | S | S | * | . | S | Bend | trans | -81.4 | -12.8 | -176.2 | -67.1 | -33.5 | 0 | 0 | 0 | 112.9 | N674 | N674-D678 WeakPolarHBondContact O-CB 3.4Å; N674-D678 PolarHBondContact O-N 3.36Å |
| 679 | T | 40.1 | Very low | 44.3 | Very low | 47 Ų | 47 | 81.9 Ų | 81.9 | 29% | 0.288 | 40% | 0.401 | S | S | . | . | trans | -150.2 | 79.1 | -177.3 | 47.8 | 0 | 0 | 0 | 0 | 115.8 | Q675 I677 Q682 | Q675-T679 PolarHBondContact O-OG1 3.08Å; I677-T679 VanDerWaalsContact C-N 3.34Å; T679-Q682 HydrophobicContact CG2-CB 4.28Å | ||
| 680 | P | 40.1 | Very low | 42.9 | Very low | 29 Ų | 29 | 82.4 Ų | 82.4 | 19% | 0.188 | 40% | 0.403 | C | S | . | . | S | Bend | trans | -76.3 | -29.3 | 165.7 | -16.6 | 30.9 | 0 | 0 | 0 | 113.4 | L1103 | P680-L1103 HydrophobicContact CB-CD1 4Å; P680-L1103 HydrophobicContact CB-CD2 3.95Å |
| 681 | T | 38 | Very low | 41.6 | Very low | 72 Ų | 72 | 84.6 Ų | 84.6 | 44% | 0.442 | 42% | 0.415 | S | S | . | . | S | Bend | trans | -118 | -9.3 | -173.4 | 49.6 | 0 | 0 | 0 | 0 | 115.2 | F1106 | T681-F1106 WeakPolarHBondContact CG2-O 3.32Š|
| 682 | Q | 32.3 | Very low | 40.7 | Very low | 115 Ų | 115 | 89.5 Ų | 89.5 | 54% | 0.537 | 44% | 0.438 | S | S | . | . | trans | -121.6 | 55 | -168.5 | -65 | -169.3 | -3.6 | 0 | 0 | 113.6 | T679 R684 | T679-Q682 HydrophobicContact CG2-CB 4.28Å; Q682-R684 PolarHBondContact O-N 3.31Å | ||
| 683 | F | 32.3 | Very low | 40.1 | Very low | 180 Ų | 180 | 91 Ų | 91 | 79% | 0.789 | 45% | 0.446 | S | S | * | . | S | Bend | trans | -62 | -0.9 | 160.1 | -98.1 | -77.5 | 0 | 0 | 0 | 113.7 | ||
| 684 | R | 30 | Very low | 39.7 | Very low | 165 Ų | 165 | 96 Ų | 96 | 62% | 0.623 | 47% | 0.473 | S | S | * | . | S | Bend | trans | -114 | -19.7 | -175.3 | -76.7 | -169 | 179.9 | 163.9 | 6.3 | 117.5 | Q682 | Q682-R684 PolarHBondContact O-N 3.31Š|
| 685 | H | 28.5 | Very low | 39.7 | Very low | 109 Ų | 109 | 95.2 Ų | 95.2 | 51% | 0.505 | 47% | 0.47 | S | S | . | . | S | Bend | trans | -140.6 | 106.8 | -171 | -70.6 | -57.4 | 0 | 0 | 0 | 113.3 | ||
| 686 | N | 28.5 | Very low | 40.4 | Very low | 90 Ų | 90 | 94.2 Ų | 94.2 | 48% | 0.481 | 47% | 0.465 | S | S | . | . | trans | 83.5 | 82.5 | 157.7 | -47.9 | -46.9 | 0 | 0 | 0 | 117.2 | K688 | N686-K688 HydrophobicContact CB-CB 4.31Å; N686-K688 HydrophobicContact CB-CD 4.31Å; N686-K688 HydrophobicContact CB-CG 4.11Å; N686-K688 PolarHBondContact O-N 2.76Å | ||
| 687 | I | 37.4 | Very low | 41.9 | Very low | 88 Ų | 88 | 92 Ų | 92 | 45% | 0.451 | 45% | 0.454 | S | S | . | . | trans | -65.8 | 84.6 | 147 | -58.1 | 172.1 | 0 | 0 | 0 | 106.6 | I690 | I687-I690 HydrophobicContact CG2-CD1 4.44Å; I687-I690 HydrophobicContact CG2-CG1 4.11Å | ||
| 688 | K | 35 | Very low | 43.9 | Very low | 172 Ų | 172 | 91.1 Ų | 91.1 | 75% | 0.748 | 45% | 0.45 | S | S | * | . | trans | -92.6 | 13.3 | -177.1 | -113.3 | -177.2 | -175.7 | -175.9 | 0 | 113.6 | N686 | N686-K688 HydrophobicContact CB-CB 4.31Å; N686-K688 HydrophobicContact CB-CD 4.31Å; N686-K688 HydrophobicContact CB-CG 4.11Å; N686-K688 PolarHBondContact O-N 2.76Å | ||
| 689 | Q | 39.2 | Very low | 46.1 | Very low | 150 Ų | 150 | 86 Ų | 86 | 70% | 0.701 | 42% | 0.423 | S | S | * | . | trans | -131.3 | 50.9 | -176.5 | -66.9 | -168.4 | -0.4 | 0 | 0 | 113.4 | N691 | Q689-N691 VanDerWaalsContact C-N 3.3Š| ||
| 690 | I | 43.4 | Very low | 48.6 | Very low | 22 Ų | 22 | 84 Ų | 84 | 11% | 0.113 | 41% | 0.411 | C | S | . | . | G | 310 helix | trans | -74.9 | -25.1 | 167.7 | -69.7 | 172.2 | 0 | 0 | 0 | 111.3 | I687 N692 L693 L939 | I687-I690 HydrophobicContact CG2-CD1 4.44Å; I687-I690 HydrophobicContact CG2-CG1 4.11Å; I690-N692 PolarHBondContact O-N 3.44Å; I690-L693 HydrophobicContact CB-CD1 4.12Å; I690-L693 HydrophobicContact CG1-CD1 3.85Å; I690-L693 HydrophobicContact CG2-CD1 4.12Å; I690-L693 PolarHBondContact O-N 2.81Å; I690-L693 VanDerWaalsContact O-N 3.08Å; I690-L939 HydrophobicContact CB-CD1 3.94Å; I690-L939 HydrophobicContact CD1-CB 4.1Å; I690-L939 HydrophobicContact CD1-CD1 3.74Å; I690-L939 HydrophobicContact CD1-CD2 3.45Å; I690-L939 VanDerWaalsContact CD1-CD2 3.45Å; I690-L939 HydrophobicContact CD1-CG 3.95Å; I690-L939 HydrophobicContact CG1-CD1 4.42Å; I690-L939 HydrophobicContact CG2-CD1 3.76Å |
| 691 | N | 37.7 | Very low | 51.2 | Low | 120 Ų | 120 | 83.4 Ų | 83.4 | 64% | 0.642 | 41% | 0.405 | S | S | * | . | G | 310 helix | trans | -62.2 | -11 | -174.1 | -67.4 | 15.4 | 0 | 0 | 0 | 115.5 | Q689 | Q689-N691 VanDerWaalsContact C-N 3.3Š|
| 692 | N | 38.4 | Very low | 54 | Low | 139 Ų | 139 | 80 Ų | 80 | 74% | 0.743 | 38% | 0.384 | S | S | * | . | G | 310 helix | trans | -126.2 | 18.7 | 178.6 | -81.4 | 2.6 | 0 | 0 | 0 | 112.9 | I690 N694 | I690-N692 PolarHBondContact O-N 3.44Å; N692-N694 PolarHBondContact O-N 3.27Å |
| 693 | L | 44.8 | Very low | 56.9 | Low | 47 Ų | 47 | 75 Ų | 75 | 25% | 0.246 | 36% | 0.36 | C | S | . | . | trans | -72.6 | 77.4 | 174.7 | -71.8 | 175.3 | 0 | 0 | 0 | 109.4 | I690 V695 M944 | I690-L693 HydrophobicContact CB-CD1 4.12Å; I690-L693 HydrophobicContact CG1-CD1 3.85Å; I690-L693 HydrophobicContact CG2-CD1 4.12Å; I690-L693 PolarHBondContact O-N 2.81Å; I690-L693 VanDerWaalsContact O-N 3.08Å; L693-V695 HydrophobicContact CB-CB 4.23Å; L693-V695 HydrophobicContact CB-CG2 3.47Å; L693-V695 VanDerWaalsContact CB-CG2 3.47Å; L693-V695 HydrophobicContact CD1-CG2 4.35Å; L693-V695 HydrophobicContact CD2-CG2 3.34Å; L693-V695 HydrophobicContact CG-CG2 3.84Å; L693-V695 PolarHBondContact O-N 3.36Å; L693-M944 HydrophobicContact CD1-CE 3.39Å; L693-M944 HydrophobicContact CD1-SD 3.99Å | ||
| 694 | N | 46.3 | Very low | 59.9 | Low | 108 Ų | 108 | 67.3 Ų | 67.3 | 58% | 0.578 | 33% | 0.329 | S | S | * | . | trans | -66.1 | 53.9 | 152.6 | -74.9 | -2.6 | 0 | 0 | 0 | 108.6 | N692 H696 N932 | N692-N694 PolarHBondContact O-N 3.27Å; N694-H696 PolarHBondContact O-N 3.11Å; N694-N932 PolarHBondContact OD1-ND2 3.33Å | ||
| 695 | V | 51.6 | Low | 63.1 | Low | 47 Ų | 47 | 59.5 Ų | 59.5 | 29% | 0.285 | 30% | 0.299 | S | S | . | . | trans | -81.2 | 83.3 | -178.1 | 175.9 | 0 | 0 | 0 | 0 | 105.5 | L693 V697 | L693-V695 HydrophobicContact CB-CB 4.23Å; L693-V695 HydrophobicContact CB-CG2 3.47Å; L693-V695 VanDerWaalsContact CB-CG2 3.47Å; L693-V695 HydrophobicContact CD1-CG2 4.35Å; L693-V695 HydrophobicContact CD2-CG2 3.34Å; L693-V695 HydrophobicContact CG-CG2 3.84Å; L693-V695 PolarHBondContact O-N 3.36Å; V695-V697 HydrophobicContact CG1-CB 3.92Å; V695-V697 HydrophobicContact CG1-CG1 3.12Å; V695-V697 HydrophobicContact CG1-CG2 3.74Å; V695-V697 PolarHBondContact O-N 3.41Å | ||
| 696 | H | 64.8 | Low | 66.2 | Low | 90 Ų | 90 | 56.8 Ų | 56.8 | 42% | 0.417 | 29% | 0.288 | S | S | . | . | trans | -64.6 | 97.1 | 158.3 | -58.1 | -68.6 | 0 | 0 | 0 | 105.6 | F578 N694 | F578-H696 HydrophobicContact CB-CB 4.06Å; F578-H696 WeakPolarHBondContact CB-O 3.25Å; N694-H696 PolarHBondContact O-N 3.11Å | ||
| 697 | V | 80.6 | Confident | 69.4 | Low | 10 Ų | 10 | 52.7 Ų | 52.7 | 6% | 0.061 | 27% | 0.266 | C | S | . | . | trans | -118.8 | 154.5 | 172.5 | -80 | 0 | 0 | 0 | 0 | 108.7 | G546 G577 V695 L747 | G546-V697 WeakPolarHBondContact O-CB 3.19Å; G546-V697 WeakPolarHBondContact O-CG1 3.13Å; G546-V697 VanDerWaalsContact O-CG2 3.26Å; G546-V697 WeakPolarHBondContact O-CG2 3.33Å; G577-V697 WeakPolarHBondContact CA-O 3.5Å; V695-V697 HydrophobicContact CG1-CB 3.92Å; V695-V697 HydrophobicContact CG1-CG1 3.12Å; V695-V697 HydrophobicContact CG1-CG2 3.74Å; V695-V697 PolarHBondContact O-N 3.41Å; V697-L747 HydrophobicContact CG2-CD2 4.02Å | ||
| 698 | F | 90.2 | Very high | 72 | Confident | 0 Ų | 0 | 49 Ų | 49 | 0% | 0 | 25% | 0.247 | C | C | . | . | trans | -83 | 129.8 | 175.3 | -176.2 | -115.3 | 0 | 0 | 0 | 110.5 | F544 G546 F570 T572 F578 L579 I597 G666 I702 | F544-F698 HydrophobicContact CB-CD1 3.67Å; F544-F698 HydrophobicContact CB-CE1 4.2Å; F544-F698 HydrophobicContact CD1-CD1 4.46Å; F544-F698 AromaticContact CD2-CD1 3.98Å; F544-F698 HydrophobicContact CD2-CD1 3.98Å; F544-F698 HydrophobicContact CD2-CE1 4.06Å; F544-F698 AromaticContact CG-CD1 3.79Å; F544-F698 HydrophobicContact CG-CD1 3.79Å; F544-F698 HydrophobicContact CG-CE1 4.3Å; G546-F698 WeakPolarHBondContact CA-O 3.4Å; G546-F698 PolarHBondContact N-O 3.02Å; F570-F698 HydrophobicContact CB-CZ 4.14Å; F570-F698 AromaticContact CD2-CE2 3.85Å; F570-F698 HydrophobicContact CD2-CE2 3.85Å; F570-F698 AromaticContact CD2-CZ 3.92Å; F570-F698 HydrophobicContact CD2-CZ 3.92Å; F570-F698 HydrophobicContact CE2-CE2 4.38Å; F570-F698 HydrophobicContact CG-CZ 4.36Å; T572-F698 HydrophobicContact CG2-CE2 4.35Å; F578-F698 VanDerWaalsContact O-CB 3.29Å; F578-F698 WeakPolarHBondContact O-CB 3.31Å; F578-F698 PolarHBondContact O-N 2.52Å; L579-F698 HydrophobicContact CD1-CD1 4.14Å; L579-F698 HydrophobicContact CD1-CD2 3.6Å; L579-F698 HydrophobicContact CD1-CE1 4.23Å; L579-F698 HydrophobicContact CD1-CE2 3.67Å; L579-F698 HydrophobicContact CD1-CG 3.84Å; L579-F698 HydrophobicContact CD1-CZ 4Å; I597-F698 HydrophobicContact CD1-CD2 4.35Å; I597-F698 HydrophobicContact CD1-CE2 4.28Å; G666-F698 PolarHBondContact O-N 3.38Å; F698-I702 HydrophobicContact CD1-CD1 4.18Å; F698-I702 HydrophobicContact CD1-CG1 4.47Å; F698-I702 HydrophobicContact CE1-CD1 3.84Å; F698-I702 HydrophobicContact CE1-CG1 3.67Å; F698-I702 HydrophobicContact CZ-CG1 4.26Å | ||
| 699 | I | 89.7 | Confident | 74.6 | Confident | 7 Ų | 7 | 43.6 Ų | 43.6 | 4% | 0.036 | 24% | 0.241 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.5 | 121.9 | 168.4 | -56.9 | 163.1 | 0 | 0 | 0 | 107.2 | F544 T572 Y574 E746 L747 | F544-I699 WeakPolarHBondContact O-CA 3.37Å; T572-I699 WeakPolarHBondContact CB-O 3.1Å; T572-I699 PolarHBondContact OG1-O 2.76Å; Y574-I699 HydrophobicContact CD1-CD1 4.05Å; Y574-I699 HydrophobicContact CD2-CB 3.64Å; Y574-I699 HydrophobicContact CD2-CD1 4.22Å; Y574-I699 HydrophobicContact CD2-CG2 3.87Å; Y574-I699 HydrophobicContact CE1-CD1 3.59Å; Y574-I699 HydrophobicContact CE2-CB 3.56Å; Y574-I699 HydrophobicContact CE2-CD1 3.79Å; Y574-I699 HydrophobicContact CE2-CG1 4.3Å; Y574-I699 HydrophobicContact CE2-CG2 3.33Å; Y574-I699 HydrophobicContact CG-CB 4.3Å; Y574-I699 HydrophobicContact CG-CD1 4.33Å; Y574-I699 VanDerWaalsContact CZ-CD1 3.43Å; I699-E746 HydrophobicContact CG2-CB 3.99Å; I699-E746 HydrophobicContact CG2-CG 3.56Å; I699-L747 HydrophobicContact CD1-CD1 3.74Å; I699-L747 HydrophobicContact CD1-CD2 3.9Å; I699-L747 HydrophobicContact CD1-CG 3.57Å; I699-L747 HydrophobicContact CG1-CD2 4.5Å; I699-L747 HydrophobicContact CG1-CG 4.48Å |
| 700 | G | 92.5 | Very high | 77.1 | Confident | 4 Ų | 4 | 37.1 Ų | 37.1 | 4% | 0.041 | 21% | 0.211 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 157 | -159.5 | -175.9 | 0 | 0 | 0 | 0 | 0 | 113 | S543 F544 R571 | S543-G700 WeakPolarHBondContact CA-O 3.49Å; F544-G700 PolarHBondContact N-O 3.42Å; F544-G700 PolarHBondContact O-N 3.4Å; R571-G700 CarbonylContact O-C 3.57Å; R571-G700 VanDerWaalsContact O-CA 3.23Å; R571-G700 WeakPolarHBondContact O-CA 3.02Å |
| 701 | Y | 94.8 | Very high | 79.4 | Confident | 17 Ų | 17 | 38.8 Ų | 38.8 | 7% | 0.067 | 22% | 0.22 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.1 | 144 | -176.8 | -56 | -95.1 | 0 | 0 | 0 | 110.2 | I541 V542 F570 R571 S739 E742 N744 | I541-Y701 HydrophobicContact CG2-CD1 4.21Å; V542-Y701 CarbonylContact O-C 3.54Å; V542-Y701 VanDerWaalsContact O-CA 3.27Å; V542-Y701 WeakPolarHBondContact O-CA 3.5Å; F570-Y701 CarbonylContact C-O 3.6Å; F570-Y701 WeakPolarHBondContact CA-O 3.39Å; F570-Y701 VanDerWaalsContact CB-O 3.3Å; F570-Y701 WeakPolarHBondContact CB-O 3.03Å; R571-Y701 PolarHBondContact N-O 2.83Å; R571-Y701 PolarHBondContact O-N 3.1Å; Y701-S739 WeakPolarHBondContact CE1-OG 3.2Å; Y701-E742 PolarHBondContact OH-O 2.92Å; Y701-N744 HydrophobicContact CE1-CB 4.47Å; Y701-N744 HydrophobicContact CE2-CB 4.34Å; Y701-N744 WeakPolarHBondContact OH-CB 3.48Å; Y701-N744 PolarHBondContact OH-N 3.18Å |
| 702 | I | 95.2 | Very high | 82.1 | Confident | 0 Ų | 0 | 33.1 Ų | 33.1 | 0% | 0 | 19% | 0.19 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.9 | 130.7 | 175.8 | -54.7 | -176.1 | 0 | 0 | 0 | 108.3 | I541 V542 F544 L568 F570 L579 L665 F698 F705 L713 | I541-I702 WeakPolarHBondContact CA-O 2.98Å; V542-I702 HydrophobicContact CG2-CB 3.95Å; V542-I702 WeakPolarHBondContact CG2-O 3.24Å; V542-I702 PolarHBondContact N-O 3.27Å; V542-I702 PolarHBondContact O-N 3.12Å; F544-I702 HydrophobicContact CD2-CD1 3.9Å; F544-I702 HydrophobicContact CD2-CG1 4Å; F544-I702 HydrophobicContact CE2-CB 4.14Å; F544-I702 HydrophobicContact CE2-CD1 3.41Å; F544-I702 VanDerWaalsContact CE2-CD1 3.41Å; F544-I702 HydrophobicContact CE2-CG1 3.74Å; F544-I702 HydrophobicContact CZ-CD1 3.95Å; L568-I702 HydrophobicContact CD1-CD1 4.33Å; L568-I702 HydrophobicContact CD1-CG2 3.71Å; F570-I702 HydrophobicContact CB-CG1 4.1Å; L579-I702 HydrophobicContact CD1-CD1 4.28Å; L665-I702 HydrophobicContact CD1-CD1 3.99Å; L665-I702 HydrophobicContact CD2-CD1 3.39Å; L665-I702 HydrophobicContact CG-CD1 3.7Å; F698-I702 HydrophobicContact CD1-CD1 4.18Å; F698-I702 HydrophobicContact CD1-CG1 4.47Å; F698-I702 HydrophobicContact CE1-CD1 3.84Å; F698-I702 HydrophobicContact CE1-CG1 3.67Å; F698-I702 HydrophobicContact CZ-CG1 4.26Å; I702-F705 HydrophobicContact CG2-CB 4.32Å; I702-L713 HydrophobicContact CG2-CD1 4.35Å |
| 703 | M | 94.1 | Very high | 84.7 | Confident | 9 Ų | 9 | 26.5 Ų | 26.5 | 4% | 0.044 | 16% | 0.155 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.3 | -33.8 | -177.5 | -178.9 | -172.3 | -69 | 0 | 0 | 112.3 | N529 P539 I541 R569 W626 | N529-M703 HydrophobicContact CB-CE 4.17Å; N529-M703 HydrophobicContact CB-SD 4.48Å; P539-M703 HydrophobicContact CB-CG 3.54Å; P539-M703 HydrophobicContact CB-SD 4.02Å; P539-M703 HydrophobicContact CG-CE 4Å; P539-M703 HydrophobicContact CG-CG 3.83Å; P539-M703 HydrophobicContact CG-SD 3.84Å; I541-M703 HydrophobicContact CD1-CE 4.02Å; I541-M703 HydrophobicContact CG1-CB 4.37Å; I541-M703 HydrophobicContact CG1-CE 4.29Å; I541-M703 HydrophobicContact CG1-CG 4.22Å; R569-M703 HydrophobicContact CB-CB 4.45Å; R569-M703 HydrophobicContact CG-CB 4.41Å; R569-M703 PolarHBondContact O-N 2.8Å; W626-M703 HydrophobicContact CD2-CE 3.86Å; W626-M703 VanDerWaalsContact CE2-CE 3.49Å; W626-M703 HydrophobicContact CE3-CB 4.14Å; W626-M703 HydrophobicContact CE3-CE 4.19Å; W626-M703 HydrophobicContact CH2-CB 3.71Å; W626-M703 HydrophobicContact CH2-CE 3.88Å; W626-M703 HydrophobicContact CZ2-CE 3.51Å; W626-M703 HydrophobicContact CZ3-CB 3.49Å; W626-M703 VanDerWaalsContact CZ3-CB 3.49Å; W626-M703 HydrophobicContact CZ3-CE 4.19Å |
| 704 | V | 95.4 | Very high | 86.9 | Confident | 20 Ų | 20 | 30.4 Ų | 30.4 | 12% | 0.121 | 17% | 0.166 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -132.9 | 127.8 | -179.2 | 178.7 | 0 | 0 | 0 | 0 | 107.4 | T567 L568 R569 L706 | T567-V704 HydrophobicContact CG2-CG1 4.22Å; L568-V704 CarbonylContact C-O 3.56Å; L568-V704 VanDerWaalsContact CA-O 3.31Å; L568-V704 WeakPolarHBondContact CA-O 3.32Å; L568-V704 WeakPolarHBondContact CD1-O 3.32Å; R569-V704 HydrophobicContact CB-CB 3.66Å; R569-V704 HydrophobicContact CB-CG2 3.83Å; R569-V704 PolarHBondContact N-O 2.73Å; R569-V704 PolarHBondContact O-N 2.53Å; V704-L706 HydrophobicContact CG1-CD1 4.02Å; V704-L706 HydrophobicContact CG1-CD2 4.41Å; V704-L706 HydrophobicContact CG1-CG 3.69Å |
| 705 | F | 96.4 | Very high | 89 | Confident | 0 Ų | 0 | 26 Ų | 26 | 0% | 0 | 14% | 0.143 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -138.2 | 91.6 | 170 | 176 | -146.1 | 0 | 0 | 0 | 109.2 | L550 I552 L566 L568 L580 L663 L665 I702 F707 F712 L713 | L550-F705 HydrophobicContact CD1-CD1 4.01Å; L550-F705 HydrophobicContact CD1-CE1 4.24Å; L550-F705 HydrophobicContact CD2-CD1 4.41Å; L550-F705 HydrophobicContact CD2-CE1 3.81Å; I552-F705 HydrophobicContact CD1-CE1 3.48Å; I552-F705 VanDerWaalsContact CD1-CE1 3.48Å; I552-F705 HydrophobicContact CD1-CZ 3.58Å; L566-F705 HydrophobicContact CD1-CD2 4.11Å; L566-F705 HydrophobicContact CD1-CE2 3.83Å; L568-F705 HydrophobicContact CD1-CB 4.16Å; L568-F705 HydrophobicContact CD1-CD2 4.11Å; L568-F705 HydrophobicContact CD1-CG 4.37Å; L580-F705 HydrophobicContact CD1-CE2 3.94Å; L580-F705 HydrophobicContact CD1-CZ 4.45Å; L663-F705 HydrophobicContact CD1-CE2 4.43Å; L663-F705 HydrophobicContact CD1-CZ 4.17Å; L663-F705 HydrophobicContact CD2-CE1 4.33Å; L663-F705 HydrophobicContact CD2-CE2 4.17Å; L663-F705 HydrophobicContact CD2-CZ 3.47Å; L663-F705 VanDerWaalsContact CD2-CZ 3.47Å; L663-F705 HydrophobicContact CG-CZ 4.45Å; L665-F705 HydrophobicContact CD2-CD1 3.81Å; L665-F705 HydrophobicContact CD2-CE1 4.12Å; L665-F705 HydrophobicContact CD2-CG 4.16Å; I702-F705 HydrophobicContact CG2-CB 4.32Å; F705-F707 HydrophobicContact CE2-CB 4.12Å; F705-F712 HydrophobicContact CD1-CB 3.65Å; F705-F712 HydrophobicContact CD1-CD2 4.48Å; F705-F712 HydrophobicContact CD1-CG 4.44Å; F705-F712 HydrophobicContact CE1-CB 3.77Å; F705-F712 HydrophobicContact CE1-CD2 4.06Å; F705-F712 HydrophobicContact CE1-CG 4.14Å; F705-F712 HydrophobicContact CG-CB 4.45Å; F705-F712 HydrophobicContact CZ-CD2 4.12Å; F705-F712 PolarHBondContact O-N 3.19Å; F705-L713 HydrophobicContact CB-CG 4.15Å |
| 706 | L | 95.3 | Very high | 90.9 | Very high | 53 Ų | 53 | 24 Ų | 24 | 28% | 0.277 | 13% | 0.131 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.3 | 126.8 | 176.1 | -52.1 | 175.4 | 0 | 0 | 0 | 108.8 | L566 T567 V704 V710 D711 | L566-L706 WeakPolarHBondContact CA-O 3.14Å; T567-L706 HydrophobicContact CG2-CD1 4.43Å; T567-L706 PolarHBondContact N-O 3.2Å; T567-L706 PolarHBondContact O-N 2.89Å; V704-L706 HydrophobicContact CG1-CD1 4.02Å; V704-L706 HydrophobicContact CG1-CD2 4.41Å; V704-L706 HydrophobicContact CG1-CG 3.69Å; L706-V710 VanDerWaalsContact CA-O 3.29Å; L706-V710 WeakPolarHBondContact CA-O 3.33Å; L706-D711 HydrophobicContact CD2-CB 3.44Å; L706-D711 VanDerWaalsContact CD2-CB 3.44Å |
| 707 | F | 95.1 | Very high | 92 | Very high | 3 Ų | 3 | 22.4 Ų | 22.4 | 1% | 0.013 | 12% | 0.124 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -135.4 | 125.7 | 171.1 | 178.1 | -96.1 | 0 | 0 | 0 | 110.3 | F554 E564 E565 L566 L593 L663 F705 G709 V710 F712 | F554-F707 HydrophobicContact CE1-CD1 4.28Å; F554-F707 HydrophobicContact CE1-CE1 4.29Å; F554-F707 HydrophobicContact CE2-CE1 4.07Å; F554-F707 AromaticContact CZ-CD1 3.67Å; F554-F707 HydrophobicContact CZ-CD1 3.67Å; F554-F707 AromaticContact CZ-CE1 3.56Å; F554-F707 HydrophobicContact CZ-CE1 3.56Å; E564-F707 HydrophobicContact CB-CE2 4.34Å; E564-F707 HydrophobicContact CG-CE2 4.33Å; E564-F707 HydrophobicContact CG-CZ 4.3Å; E565-F707 CarbonylContact O-C 3.58Å; E565-F707 WeakPolarHBondContact O-CA 3.07Å; L566-F707 HydrophobicContact CB-CD2 4.18Å; L566-F707 HydrophobicContact CD1-CB 4.37Å; L566-F707 HydrophobicContact CD1-CD2 4.19Å; L593-F707 HydrophobicContact CD2-CE2 4.37Å; L663-F707 HydrophobicContact CD1-CB 4.38Å; L663-F707 HydrophobicContact CD1-CD1 4.06Å; L663-F707 HydrophobicContact CD1-CD2 3.77Å; L663-F707 HydrophobicContact CD1-CE1 4.26Å; L663-F707 HydrophobicContact CD1-CE2 3.98Å; L663-F707 HydrophobicContact CD1-CG 3.8Å; L663-F707 HydrophobicContact CD1-CZ 4.22Å; F705-F707 HydrophobicContact CE2-CB 4.12Å; F707-G709 PolarHBondContact O-N 2.9Å; F707-V710 PolarHBondContact N-O 3.22Å; F707-V710 PolarHBondContact O-N 2.95Å; F707-F712 HydrophobicContact CB-CD2 4.26Å; F707-F712 HydrophobicContact CB-CE2 3.95Å; F707-F712 HydrophobicContact CD1-CE2 4.4Å |
| 708 | N | 92.7 | Very high | 92.4 | Very high | 11 Ų | 11 | 24.3 Ų | 24.3 | 6% | 0.059 | 13% | 0.134 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 45.4 | 45.7 | -178 | -69.6 | -2.7 | 0 | 0 | 0 | 113 | Q456 L457 R458 E564 E565 | Q456-N708 WeakPolarHBondContact O-CB 3.35Å; L457-N708 CarbonylContact C-O 3.58Å; R458-N708 WeakPolarHBondContact CD-O 3.43Å; R458-N708 WeakPolarHBondContact CG-O 2.91Å; E564-N708 WeakPolarHBondContact CA-OD1 3.25Å; E565-N708 PolarHBondContact N-OD1 3.01Å; E565-N708 PolarHBondContact O-N 2.79Å |
| 709 | G | 89.3 | Confident | 92 | Very high | 59 Ų | 59 | 25.2 Ų | 25.2 | 61% | 0.608 | 14% | 0.139 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 83.2 | 2.5 | 177.7 | 0 | 0 | 0 | 0 | 0 | 116.2 | F707 | F707-G709 PolarHBondContact O-N 2.9Š|
| 710 | V | 90.5 | Very high | 91.4 | Very high | 14 Ų | 14 | 31.4 Ų | 31.4 | 9% | 0.085 | 17% | 0.165 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.4 | 127.6 | 177 | -172.6 | 0 | 0 | 0 | 0 | 111.1 | L706 F707 F712 W728 | L706-V710 VanDerWaalsContact CA-O 3.29Å; L706-V710 WeakPolarHBondContact CA-O 3.33Å; F707-V710 PolarHBondContact N-O 3.22Å; F707-V710 PolarHBondContact O-N 2.95Å; V710-F712 HydrophobicContact CB-CD2 4.21Å; V710-F712 HydrophobicContact CB-CE1 4.38Å; V710-F712 HydrophobicContact CB-CE2 3.73Å; V710-F712 HydrophobicContact CB-CZ 3.83Å; V710-F712 HydrophobicContact CG1-CD1 4.05Å; V710-F712 HydrophobicContact CG1-CD2 4.23Å; V710-F712 HydrophobicContact CG1-CE1 3.82Å; V710-F712 HydrophobicContact CG1-CE2 4Å; V710-F712 HydrophobicContact CG1-CG 4.24Å; V710-F712 HydrophobicContact CG1-CZ 3.79Å; V710-F712 HydrophobicContact CG2-CZ 4.34Å; V710-F712 PolarHBondContact O-N 3.2Å; V710-W728 HydrophobicContact CG2-CZ2 4.41Å |
| 711 | D | 92.9 | Very high | 90.7 | Very high | 56 Ų | 56 | 37.9 Ų | 37.9 | 30% | 0.299 | 19% | 0.194 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -85 | 95.7 | 168.3 | -177.7 | -16.2 | 0 | 0 | 0 | 110.6 | L706 L713 R714 T715 | L706-D711 HydrophobicContact CD2-CB 3.44Å; L706-D711 VanDerWaalsContact CD2-CB 3.44Å; D711-L713 VanDerWaalsContact C-N 3.34Å; D711-L713 PolarHBondContact O-N 3.17Å; D711-L713 PolarHBondContact OD1-N 3.25Å; D711-R714 HydrophobicContact CB-CB 4.04Å; D711-R714 VanDerWaalsContact CG-CB 3.41Å; D711-R714 PolarHBondContact O-N 3.15Å; D711-R714 PolarHBondContact OD1-N 3.19Å; D711-R714 WeakPolarHBondContact OD2-CB 3.39Å; D711-T715 WeakPolarHBondContact O-CB 3.43Å; D711-T715 PolarHBondContact O-N 3.01Å; D711-T715 PolarHBondContact O-OG1 3.13Å |
| 712 | F | 93.7 | Very high | 89.7 | Confident | 1 Ų | 1 | 40 Ų | 40 | 0% | 0.004 | 21% | 0.207 | C | C | . | . | H | α-helix | trans | -71.6 | -25.5 | -172.3 | -79.2 | -72 | 0 | 0 | 0 | 114 | I552 F554 F705 F707 V710 A716 W728 L732 | I552-F712 HydrophobicContact CB-CE1 4.42Å; I552-F712 HydrophobicContact CD1-CB 4.15Å; I552-F712 HydrophobicContact CD1-CD1 3.55Å; I552-F712 HydrophobicContact CD1-CD2 3.46Å; I552-F712 VanDerWaalsContact CD1-CD2 3.46Å; I552-F712 HydrophobicContact CD1-CE1 3.72Å; I552-F712 HydrophobicContact CD1-CE2 3.63Å; I552-F712 HydrophobicContact CD1-CG 3.42Å; I552-F712 VanDerWaalsContact CD1-CG 3.42Å; I552-F712 HydrophobicContact CD1-CZ 3.76Å; I552-F712 HydrophobicContact CG1-CD1 3.73Å; I552-F712 HydrophobicContact CG1-CE1 3.84Å; I552-F712 HydrophobicContact CG1-CG 4.09Å; I552-F712 HydrophobicContact CG1-CZ 4.29Å; I552-F712 HydrophobicContact CG2-CD1 4.4Å; I552-F712 HydrophobicContact CG2-CE1 3.66Å; I552-F712 HydrophobicContact CG2-CZ 3.87Å; F554-F712 AromaticContact CE1-CZ 3.94Å; F554-F712 HydrophobicContact CE1-CZ 3.94Å; F554-F712 HydrophobicContact CZ-CZ 4.44Å; F705-F712 HydrophobicContact CD1-CB 3.65Å; F705-F712 HydrophobicContact CD1-CD2 4.48Å; F705-F712 HydrophobicContact CD1-CG 4.44Å; F705-F712 HydrophobicContact CE1-CB 3.77Å; F705-F712 HydrophobicContact CE1-CD2 4.06Å; F705-F712 HydrophobicContact CE1-CG 4.14Å; F705-F712 HydrophobicContact CG-CB 4.45Å; F705-F712 HydrophobicContact CZ-CD2 4.12Å; F705-F712 PolarHBondContact O-N 3.19Å; F707-F712 HydrophobicContact CB-CD2 4.26Å; F707-F712 HydrophobicContact CB-CE2 3.95Å; F707-F712 HydrophobicContact CD1-CE2 4.4Å; V710-F712 HydrophobicContact CB-CD2 4.21Å; V710-F712 HydrophobicContact CB-CE1 4.38Å; V710-F712 HydrophobicContact CB-CE2 3.73Å; V710-F712 HydrophobicContact CB-CZ 3.83Å; V710-F712 HydrophobicContact CG1-CD1 4.05Å; V710-F712 HydrophobicContact CG1-CD2 4.23Å; V710-F712 HydrophobicContact CG1-CE1 3.82Å; V710-F712 HydrophobicContact CG1-CE2 4Å; V710-F712 HydrophobicContact CG1-CG 4.24Å; V710-F712 HydrophobicContact CG1-CZ 3.79Å; V710-F712 HydrophobicContact CG2-CZ 4.34Å; V710-F712 PolarHBondContact O-N 3.2Å; F712-A716 VanDerWaalsContact O-CB 3.24Å; F712-A716 WeakPolarHBondContact O-CB 3.06Å; F712-A716 PolarHBondContact O-N 2.87Å; F712-W728 HydrophobicContact CE1-CE3 4.16Å; F712-W728 AromaticContact CE1-CH2 3.85Å; F712-W728 HydrophobicContact CE1-CH2 3.85Å; F712-W728 HydrophobicContact CE1-CZ2 4.29Å; F712-W728 AromaticContact CE1-CZ3 3.78Å; F712-W728 HydrophobicContact CE1-CZ3 3.78Å; F712-W728 AromaticContact CZ-CH2 3.93Å; F712-W728 HydrophobicContact CZ-CH2 3.93Å; F712-W728 HydrophobicContact CZ-CZ2 4.47Å; F712-W728 HydrophobicContact CZ-CZ3 4.22Å; F712-L732 HydrophobicContact CD1-CD2 3.84Å; F712-L732 HydrophobicContact CE1-CD2 4.16Å |
| 713 | L | 93.2 | Very high | 88.3 | Confident | 1 Ų | 1 | 45.6 Ų | 45.6 | 1% | 0.005 | 24% | 0.243 | C | C | . | . | H | α-helix | trans | -69.2 | -45 | 173.5 | -62.7 | -177.2 | 0 | 0 | 0 | 110.2 | I540 V542 L550 I702 F705 D711 A716 Q717 | I540-L713 HydrophobicContact CB-CB 4.47Å; I540-L713 HydrophobicContact CG2-CB 4.28Å; V542-L713 HydrophobicContact CG1-CD2 4.2Å; V542-L713 HydrophobicContact CG2-CD1 4.32Å; V542-L713 HydrophobicContact CG2-CD2 3.73Å; L550-L713 HydrophobicContact CD1-CD2 3.98Å; I702-L713 HydrophobicContact CG2-CD1 4.35Å; F705-L713 HydrophobicContact CB-CG 4.15Å; D711-L713 VanDerWaalsContact C-N 3.34Å; D711-L713 PolarHBondContact O-N 3.17Å; D711-L713 PolarHBondContact OD1-N 3.25Å; L713-A716 PolarHBondContact O-N 3.15Å; L713-Q717 PolarHBondContact O-N 3.15Å; L713-Q717 VanDerWaalsContact O-N 3.08Å |
| 714 | R | 90.4 | Very high | 86.9 | Confident | 128 Ų | 128 | 49.1 Ų | 49.1 | 48% | 0.483 | 27% | 0.268 | S | S | . | . | H | α-helix | trans | -69.5 | -38.6 | 177.3 | -171.7 | 175.4 | -176.8 | 168.9 | 7.9 | 112.6 | I540 D711 A716 Q717 N718 | I540-R714 HydrophobicContact CD1-CB 4.2Å; D711-R714 HydrophobicContact CB-CB 4.04Å; D711-R714 VanDerWaalsContact CG-CB 3.41Å; D711-R714 PolarHBondContact O-N 3.15Å; D711-R714 PolarHBondContact OD1-N 3.19Å; D711-R714 WeakPolarHBondContact OD2-CB 3.39Å; R714-A716 VanDerWaalsContact C-N 3.35Å; R714-Q717 PolarHBondContact O-N 3.26Å; R714-N718 VanDerWaalsContact CG-ND2 3.28Å; R714-N718 WeakPolarHBondContact CG-ND2 3.33Å; R714-N718 WeakPolarHBondContact O-CB 3.41Å; R714-N718 PolarHBondContact O-N 3.37Å; R714-N718 PolarHBondContact O-ND2 3.25Å |
| 715 | T | 91.3 | Very high | 86 | Confident | 15 Ų | 15 | 49.6 Ų | 49.6 | 9% | 0.092 | 27% | 0.27 | C | S | . | . | H | α-helix | trans | -61.5 | -44.8 | 174.4 | -62.7 | 0 | 0 | 0 | 0 | 110.6 | D711 N718 L719 L725 W728 L732 | D711-T715 WeakPolarHBondContact O-CB 3.43Å; D711-T715 PolarHBondContact O-N 3.01Å; D711-T715 PolarHBondContact O-OG1 3.13Å; T715-N718 PolarHBondContact O-N 3.42Å; T715-L719 PolarHBondContact O-N 2.54Å; T715-L719 VanDerWaalsContact O-N 3.08Å; T715-L725 HydrophobicContact CG2-CD1 4.3Å; T715-L725 HydrophobicContact CG2-CD2 4.33Å; T715-W728 HydrophobicContact CG2-CB 4.12Å; T715-W728 HydrophobicContact CG2-CG 3.86Å; T715-L732 HydrophobicContact CG2-CD1 3.88Å |
| 716 | A | 90.3 | Very high | 84.7 | Confident | 5 Ų | 5 | 57 Ų | 57 | 4% | 0.041 | 30% | 0.299 | C | S | . | . | H | α-helix | trans | -61.9 | -45.6 | 177.8 | 0 | 0 | 0 | 0 | 0 | 112.2 | F712 L713 R714 N718 L719 L732 I734 W974 | F712-A716 VanDerWaalsContact O-CB 3.24Å; F712-A716 WeakPolarHBondContact O-CB 3.06Å; F712-A716 PolarHBondContact O-N 2.87Å; L713-A716 PolarHBondContact O-N 3.15Å; R714-A716 VanDerWaalsContact C-N 3.35Å; A716-N718 PolarHBondContact O-N 2.78Å; A716-L719 WeakPolarHBondContact O-CB 3.13Å; A716-L732 HydrophobicContact CB-CD1 4.4Å; A716-I734 HydrophobicContact CB-CD1 4.42Å; A716-I734 HydrophobicContact CB-CG2 4.48Å; A716-W974 HydrophobicContact CB-CE3 3.9Å; A716-W974 WeakPolarHBondContact O-CB 3.39Å |
| 717 | Q | 88.8 | Confident | 83.5 | Confident | 58 Ų | 58 | 56.6 Ų | 56.6 | 27% | 0.271 | 30% | 0.297 | S | S | . | . | H | α-helix | trans | -64 | -39.5 | 178.8 | -174.5 | -178.4 | 58 | 0 | 0 | 112.8 | I540 L713 R714 W974 | I540-Q717 HydrophobicContact CD1-CB 4.12Å; L713-Q717 PolarHBondContact O-N 3.15Å; L713-Q717 VanDerWaalsContact O-N 3.08Å; R714-Q717 PolarHBondContact O-N 3.26Å; Q717-W974 HydrophobicContact CB-CD2 4.13Å; Q717-W974 HydrophobicContact CB-CG 4.37Å; Q717-W974 HydrophobicContact CB-CZ2 4.5Å |
| 718 | N | 88.3 | Confident | 82.9 | Confident | 49 Ų | 49 | 56.8 Ų | 56.8 | 26% | 0.262 | 30% | 0.298 | S | S | . | . | H | α-helix | trans | -89.7 | -3.2 | -175.1 | -67.5 | -61.8 | 0 | 0 | 0 | 114.1 | R714 T715 A716 K720 H721 D722 L725 | R714-N718 VanDerWaalsContact CG-ND2 3.28Å; R714-N718 WeakPolarHBondContact CG-ND2 3.33Å; R714-N718 WeakPolarHBondContact O-CB 3.41Å; R714-N718 PolarHBondContact O-N 3.37Å; R714-N718 PolarHBondContact O-ND2 3.25Å; T715-N718 PolarHBondContact O-N 3.42Å; A716-N718 PolarHBondContact O-N 2.78Å; N718-K720 PolarHBondContact O-N 2.88Å; N718-H721 PolarHBondContact O-N 2.95Å; N718-D722 HydrophobicContact CB-CB 4.47Å; N718-D722 PolarHBondContact O-N 2.8Å; N718-L725 HydrophobicContact CB-CD1 3.82Å |
| 719 | L | 82.3 | Confident | 82.2 | Confident | 19 Ų | 19 | 59.5 Ų | 59.5 | 10% | 0.099 | 31% | 0.309 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -53.2 | -34.3 | -173.8 | -165.6 | 63.7 | 0 | 0 | 0 | 114.2 | T715 A716 L725 W728 | T715-L719 PolarHBondContact O-N 2.54Å; T715-L719 VanDerWaalsContact O-N 3.08Å; A716-L719 WeakPolarHBondContact O-CB 3.13Å; L719-L725 HydrophobicContact CD1-CB 4.15Å; L719-L725 WeakPolarHBondContact CD1-O 3.4Å; L719-W728 HydrophobicContact CD1-CB 3.7Å |
| 720 | K | 76.3 | Confident | 81.5 | Confident | 138 Ų | 138 | 61 Ų | 61 | 60% | 0.6 | 30% | 0.303 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -82.4 | -26.3 | 179.4 | -173.3 | 177.4 | 180 | 179 | 0 | 113.4 | N718 | N718-K720 PolarHBondContact O-N 2.88Š|
| 721 | H | 77.8 | Confident | 81.1 | Confident | 139 Ų | 139 | 62.5 Ų | 62.5 | 64% | 0.644 | 31% | 0.308 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -101.7 | -26.3 | -170.4 | -65 | -57.2 | 0 | 0 | 0 | 113.1 | N718 P723 | N718-H721 PolarHBondContact O-N 2.95Å; H721-P723 WeakPolarHBondContact O-CD 3.11Å |
| 722 | D | 74.5 | Confident | 81 | Confident | 63 Ų | 63 | 60 Ų | 60 | 34% | 0.337 | 30% | 0.295 | S | S | . | . | trans | -106.4 | 105 | -179.2 | -168.3 | -19.3 | 0 | 0 | 0 | 110.7 | N718 S724 L725 | N718-D722 HydrophobicContact CB-CB 4.47Å; N718-D722 PolarHBondContact O-N 2.8Å; D722-S724 PolarHBondContact O-N 2.77Å; D722-S724 VanDerWaalsContact O-N 3.16Å; D722-S724 VanDerWaalsContact OD1-CB 3.26Å; D722-S724 WeakPolarHBondContact OD1-CB 3.49Å; D722-S724 PolarHBondContact OD1-N 3.2Å; D722-S724 PolarHBondContact OD1-OG 3.4Å; D722-S724 PolarHBondContact OD2-OG 3.15Å; D722-L725 HydrophobicContact CB-CB 4.43Å; D722-L725 HydrophobicContact CB-CD1 3.87Å; D722-L725 HydrophobicContact CB-CG 3.89Å; D722-L725 WeakPolarHBondContact O-CB 3.24Å; D722-L725 PolarHBondContact O-N 2.99Å | ||
| 723 | P | 65.6 | Low | 80.7 | Confident | 116 Ų | 116 | 60.6 Ų | 60.6 | 75% | 0.753 | 30% | 0.298 | S | S | * | . | G | 310 helix | trans | -63.5 | -19.3 | 178.9 | 26.4 | -33.7 | 0 | 0 | 0 | 112.9 | H721 L725 Y726 | H721-P723 WeakPolarHBondContact O-CD 3.11Å; P723-L725 PolarHBondContact O-N 3.32Å; P723-Y726 VanDerWaalsContact O-CB 3.32Å; P723-Y726 WeakPolarHBondContact O-CB 3.47Å; P723-Y726 PolarHBondContact O-N 3.06Å |
| 724 | S | 64.7 | Low | 80.5 | Confident | 83 Ų | 83 | 60.9 Ų | 60.9 | 58% | 0.58 | 30% | 0.299 | S | S | * | . | G | 310 helix | trans | -68.9 | -20.2 | 174.3 | 74.5 | 0 | 0 | 0 | 0 | 112.7 | D722 | D722-S724 PolarHBondContact O-N 2.77Å; D722-S724 VanDerWaalsContact O-N 3.16Å; D722-S724 VanDerWaalsContact OD1-CB 3.26Å; D722-S724 WeakPolarHBondContact OD1-CB 3.49Å; D722-S724 PolarHBondContact OD1-N 3.2Å; D722-S724 PolarHBondContact OD1-OG 3.4Å; D722-S724 PolarHBondContact OD2-OG 3.15Å |
| 725 | L | 77.1 | Confident | 80.2 | Confident | 30 Ų | 30 | 55.4 Ų | 55.4 | 16% | 0.157 | 28% | 0.28 | C | S | . | . | G | 310 helix | trans | -89.7 | 2.2 | 177.1 | -57.9 | -178.6 | 0 | 0 | 0 | 113.4 | T715 N718 L719 D722 P723 I727 W728 | T715-L725 HydrophobicContact CG2-CD1 4.3Å; T715-L725 HydrophobicContact CG2-CD2 4.33Å; N718-L725 HydrophobicContact CB-CD1 3.82Å; L719-L725 HydrophobicContact CD1-CB 4.15Å; L719-L725 WeakPolarHBondContact CD1-O 3.4Å; D722-L725 HydrophobicContact CB-CB 4.43Å; D722-L725 HydrophobicContact CB-CD1 3.87Å; D722-L725 HydrophobicContact CB-CG 3.89Å; D722-L725 WeakPolarHBondContact O-CB 3.24Å; D722-L725 PolarHBondContact O-N 2.99Å; P723-L725 PolarHBondContact O-N 3.32Å; L725-I727 PolarHBondContact O-N 3Å; L725-W728 WeakPolarHBondContact O-CB 3.07Å; L725-W728 PolarHBondContact O-N 2.84Å |
| 726 | Y | 68.5 | Low | 80 | Confident | 156 Ų | 156 | 54.9 Ų | 54.9 | 61% | 0.612 | 28% | 0.277 | S | S | * | . | G | 310 helix | trans | -45.7 | -37.6 | 179.5 | 148.6 | -101.1 | 0 | 0 | 0 | 113 | P723 W728 K729 | P723-Y726 VanDerWaalsContact O-CB 3.32Å; P723-Y726 WeakPolarHBondContact O-CB 3.47Å; P723-Y726 PolarHBondContact O-N 3.06Å; Y726-W728 PolarHBondContact O-N 3.14Å; Y726-K729 WeakPolarHBondContact O-CB 3.38Å; Y726-K729 PolarHBondContact O-N 2.75Å |
| 727 | I | 69.3 | Low | 79.8 | Confident | 44 Ų | 44 | 56.3 Ų | 56.3 | 23% | 0.226 | 29% | 0.286 | C | S | . | . | G | 310 helix | trans | -64.2 | -21.5 | -177.3 | -157.8 | 176.7 | 0 | 0 | 0 | 113.6 | E439 Q443 L725 K731 | E439-I727 HydrophobicContact CG-CG2 3.99Å; Q443-I727 HydrophobicContact CB-CD1 3.99Å; Q443-I727 HydrophobicContact CG-CD1 4Å; L725-I727 PolarHBondContact O-N 3Å; I727-K731 WeakPolarHBondContact O-CD 3.33Å |
| 728 | W | 83 | Confident | 79.7 | Confident | 8 Ų | 8 | 57.7 Ų | 57.7 | 3% | 0.03 | 29% | 0.292 | C | S | . | . | G | 310 helix | trans | -87.3 | -7.7 | 175 | -67.5 | 108.9 | 0 | 0 | 0 | 113.5 | Q443 I552 F554 V710 F712 T715 L719 L725 Y726 D730 K731 L732 | Q443-W728 VanDerWaalsContact NE2-CE2 3.26Å; I552-W728 HydrophobicContact CG2-CZ3 3.86Å; F554-W728 HydrophobicContact CD1-CH2 4.24Å; F554-W728 HydrophobicContact CD1-CZ3 4.37Å; F554-W728 HydrophobicContact CE1-CH2 4.35Å; V710-W728 HydrophobicContact CG2-CZ2 4.41Å; F712-W728 HydrophobicContact CE1-CE3 4.16Å; F712-W728 AromaticContact CE1-CH2 3.85Å; F712-W728 HydrophobicContact CE1-CH2 3.85Å; F712-W728 HydrophobicContact CE1-CZ2 4.29Å; F712-W728 AromaticContact CE1-CZ3 3.78Å; F712-W728 HydrophobicContact CE1-CZ3 3.78Å; F712-W728 AromaticContact CZ-CH2 3.93Å; F712-W728 HydrophobicContact CZ-CH2 3.93Å; F712-W728 HydrophobicContact CZ-CZ2 4.47Å; F712-W728 HydrophobicContact CZ-CZ3 4.22Å; T715-W728 HydrophobicContact CG2-CB 4.12Å; T715-W728 HydrophobicContact CG2-CG 3.86Å; L719-W728 HydrophobicContact CD1-CB 3.7Å; L725-W728 WeakPolarHBondContact O-CB 3.07Å; L725-W728 PolarHBondContact O-N 2.84Å; Y726-W728 PolarHBondContact O-N 3.14Å; W728-D730 PolarHBondContact O-N 3.33Å; W728-K731 HydrophobicContact CE3-CB 4.09Å; W728-K731 HydrophobicContact CE3-CD 4.24Å; W728-K731 HydrophobicContact CZ3-CD 4.48Å; W728-K731 PolarHBondContact O-N 3.29Å; W728-K731 VanDerWaalsContact O-N 3.09Å; W728-L732 HydrophobicContact CB-CD1 3.98Å; W728-L732 HydrophobicContact CB-CG 4.27Å; W728-L732 HydrophobicContact CE3-CD2 4.49Å; W728-L732 PolarHBondContact O-N 3.02Å |
| 729 | K | 78.4 | Confident | 79.4 | Confident | 67 Ų | 67 | 55.9 Ų | 55.9 | 29% | 0.291 | 28% | 0.283 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -55.8 | -50.3 | -172 | -172.8 | -179.5 | 175.5 | -173.4 | 0 | 112.2 | Y726 K731 Q973 D1265 | Y726-K729 WeakPolarHBondContact O-CB 3.38Å; Y726-K729 PolarHBondContact O-N 2.75Å; K729-K731 VanDerWaalsContact C-N 3.3Å; K729-K731 PolarHBondContact O-N 3.18Å; K729-Q973 PolarHBondContact O-NE2 2.8Å; K729-D1265 IonicContact NZ-OD1 3.74Å |
| 730 | D | 74.8 | Confident | 79.1 | Confident | 92 Ų | 92 | 61 Ų | 61 | 49% | 0.492 | 31% | 0.311 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -93.1 | 10.1 | -177.7 | -55.3 | -36.7 | 0 | 0 | 0 | 113 | W728 | W728-D730 PolarHBondContact O-N 3.33Š|
| 731 | K | 82.4 | Confident | 78.8 | Confident | 44 Ų | 44 | 60.6 Ų | 60.6 | 19% | 0.191 | 31% | 0.307 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -113.7 | -15.3 | -174.2 | -67.6 | -174.2 | 176.4 | -165.5 | 0 | 114.1 | K553 F554 I727 W728 K729 | K553-K731 HydrophobicContact CB-CB 4.44Å; K553-K731 PolarHBondContact N-O 3.28Å; K553-K731 WeakPolarHBondContact O-CB 3.31Å; K553-K731 VanDerWaalsContact O-CD 3.3Å; K553-K731 WeakPolarHBondContact O-CD 3.06Å; K553-K731 WeakPolarHBondContact O-CG 2.97Å; F554-K731 PolarHBondContact O-NZ 3.07Å; F554-K731 VanDerWaalsContact O-NZ 3.12Å; I727-K731 WeakPolarHBondContact O-CD 3.33Å; W728-K731 HydrophobicContact CE3-CB 4.09Å; W728-K731 HydrophobicContact CE3-CD 4.24Å; W728-K731 HydrophobicContact CZ3-CD 4.48Å; W728-K731 PolarHBondContact O-N 3.29Å; W728-K731 VanDerWaalsContact O-N 3.09Å; K729-K731 VanDerWaalsContact C-N 3.3Å; K729-K731 PolarHBondContact O-N 3.18Å |
| 732 | L | 89.3 | Confident | 78.4 | Confident | 4 Ų | 4 | 60.3 Ų | 60.3 | 2% | 0.021 | 31% | 0.305 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.5 | 125 | -179.8 | -66.9 | 179.4 | 0 | 0 | 0 | 110.3 | I552 F712 T715 A716 W728 | I552-L732 HydrophobicContact CB-CD2 4.23Å; I552-L732 HydrophobicContact CG1-CD2 3.61Å; I552-L732 HydrophobicContact CG2-CD2 4.2Å; F712-L732 HydrophobicContact CD1-CD2 3.84Å; F712-L732 HydrophobicContact CE1-CD2 4.16Å; T715-L732 HydrophobicContact CG2-CD1 3.88Å; A716-L732 HydrophobicContact CB-CD1 4.4Å; W728-L732 HydrophobicContact CB-CD1 3.98Å; W728-L732 HydrophobicContact CB-CG 4.27Å; W728-L732 HydrophobicContact CE3-CD2 4.49Å; W728-L732 PolarHBondContact O-N 3.02Å |
| 733 | D | 87.8 | Confident | 78.3 | Confident | 14 Ų | 14 | 60.4 Ų | 60.4 | 8% | 0.075 | 31% | 0.31 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125 | 113.2 | 170.6 | 174.7 | 33.3 | 0 | 0 | 0 | 108.8 | W549 L550 W551 M971 Q972 | W549-D733 PolarHBondContact NE1-OD2 3.32Å; L550-D733 CarbonylContact C-O 3.58Å; L550-D733 WeakPolarHBondContact CA-O 2.89Å; W551-D733 HydrophobicContact CB-CB 4.24Å; W551-D733 PolarHBondContact N-O 3.01Å; W551-D733 PolarHBondContact O-N 3.41Å; D733-M971 HydrophobicContact CB-CB 4.33Å; D733-Q972 CarbonylContact C-O 3.56Å; D733-Q972 VanDerWaalsContact CA-O 3.24Å; D733-Q972 WeakPolarHBondContact CA-O 3.48Å; D733-Q972 PolarHBondContact OD1-N 3.26Å |
| 734 | I | 89.7 | Confident | 79 | Confident | 6 Ų | 6 | 55.6 Ų | 55.6 | 3% | 0.031 | 28% | 0.277 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.3 | 113.3 | -173.8 | -175.6 | 174.3 | 0 | 0 | 0 | 110.1 | W549 L550 A716 A736 Q972 W974 | W549-I734 WeakPolarHBondContact O-CA 3.46Å; L550-I734 HydrophobicContact CB-CG1 4.23Å; L550-I734 HydrophobicContact CD1-CD1 3.83Å; L550-I734 HydrophobicContact CD1-CG1 4.31Å; L550-I734 HydrophobicContact CG-CB 4.25Å; L550-I734 HydrophobicContact CG-CD1 4.21Å; L550-I734 HydrophobicContact CG-CG1 4.16Å; A716-I734 HydrophobicContact CB-CD1 4.42Å; A716-I734 HydrophobicContact CB-CG2 4.48Å; I734-A736 HydrophobicContact CD1-CB 4.42Å; I734-A736 HydrophobicContact CG1-CB 4.03Å; I734-Q972 PolarHBondContact N-O 3.41Å; I734-Q972 WeakPolarHBondContact O-CB 3.37Å; I734-Q972 WeakPolarHBondContact O-CG 3.5Å; I734-W974 HydrophobicContact CD1-CE3 3.74Å; I734-W974 HydrophobicContact CD1-CZ3 3.64Å |
| 735 | T | 84.5 | Confident | 80.1 | Confident | 13 Ų | 13 | 53.2 Ų | 53.2 | 8% | 0.08 | 26% | 0.257 | C | S | . | . | trans | -102.1 | -6.8 | 175.5 | 56 | 0 | 0 | 0 | 0 | 112.9 | Q548 W549 N957 Q972 | Q548-T735 VanDerWaalsContact CA-OG1 3.27Å; Q548-T735 WeakPolarHBondContact CA-OG1 3.45Å; Q548-T735 VanDerWaalsContact CG-O 3.3Å; Q548-T735 WeakPolarHBondContact CG-O 3.29Å; Q548-T735 PolarHBondContact NE2-O 3.05Å; W549-T735 HydrophobicContact CD2-CG2 4.2Å; W549-T735 HydrophobicContact CE3-CG2 4.42Å; W549-T735 HydrophobicContact CH2-CG2 3.88Å; W549-T735 HydrophobicContact CZ2-CG2 3.61Å; W549-T735 HydrophobicContact CZ3-CG2 4.27Å; W549-T735 PolarHBondContact N-OG1 2.97Å; W549-T735 PolarHBondContact O-N 2.92Å; W549-T735 PolarHBondContact O-OG1 2.83Å; T735-N957 PolarHBondContact O-OD1 3.06Å; T735-Q972 HydrophobicContact CG2-CB 3.78Å; T735-Q972 HydrophobicContact CG2-CG 4.25Å | ||
| 736 | A | 87.4 | Confident | 80.5 | Confident | 4 Ų | 4 | 52.9 Ų | 52.9 | 3% | 0.033 | 26% | 0.255 | C | S | . | . | P | Polyproline II helix | trans | -61 | 140.4 | 174.5 | 0 | 0 | 0 | 0 | 0 | 111.3 | V542 F544 I734 | V542-A736 HydrophobicContact CB-CB 4.07Å; V542-A736 HydrophobicContact CG2-CB 4.48Å; F544-A736 HydrophobicContact CD1-CB 4.24Å; F544-A736 HydrophobicContact CD2-CB 4.29Å; F544-A736 HydrophobicContact CE1-CB 3.82Å; F544-A736 HydrophobicContact CE2-CB 3.86Å; F544-A736 HydrophobicContact CG-CB 4.45Å; F544-A736 HydrophobicContact CZ-CB 3.6Å; I734-A736 HydrophobicContact CD1-CB 4.42Å; I734-A736 HydrophobicContact CG1-CB 4.03Å |
| 737 | T | 84.9 | Confident | 81.2 | Confident | 36 Ų | 36 | 46.4 Ų | 46.4 | 22% | 0.221 | 23% | 0.231 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -95.3 | 138.1 | -176.4 | 38.3 | 0 | 0 | 0 | 0 | 110.8 | V542 S543 Q548 S739 | V542-T737 CarbonylContact C-O 3.44Å; V542-T737 VanDerWaalsContact CA-O 3.26Å; V542-T737 WeakPolarHBondContact CA-O 3.44Å; S543-T737 PolarHBondContact N-O 2.96Å; S543-T737 PolarHBondContact O-N 3.42Å; S543-T737 PolarHBondContact OG-O 2.83Å; S543-T737 PolarHBondContact OG-OG1 3.08Å; Q548-T737 VanDerWaalsContact NE2-CG2 3.34Å; Q548-T737 PolarHBondContact NE2-OG1 3.44Å; T737-S739 PolarHBondContact O-N 3.31Å |
| 738 | Q | 87.2 | Confident | 82 | Confident | 87 Ų | 87 | 44.4 Ų | 44.4 | 41% | 0.407 | 22% | 0.221 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -64.6 | 125.6 | 172.1 | -174.8 | 169.4 | 0.9 | 0 | 0 | 109.3 | W974 | Q738-W974 HydrophobicContact CB-CH2 4.39Å; Q738-W974 HydrophobicContact CB-CZ2 3.82Å; Q738-W974 HydrophobicContact CG-CZ2 3.97Å |
| 739 | S | 82.7 | Confident | 82.2 | Confident | 10 Ų | 10 | 44.2 Ų | 44.2 | 7% | 0.07 | 22% | 0.22 | C | C | . | . | trans | -107.6 | 135.6 | -176 | -174.4 | 0 | 0 | 0 | 0 | 111.8 | I541 Y701 T737 Y741 | I541-S739 PolarHBondContact O-N 3.01Å; Y701-S739 WeakPolarHBondContact CE1-OG 3.2Å; T737-S739 PolarHBondContact O-N 3.31Å; S739-Y741 PolarHBondContact OG-N 2.98Å; S739-Y741 VanDerWaalsContact OG-N 3.14Å | ||
| 740 | N | 76 | Confident | 82.5 | Confident | 128 Ų | 128 | 41 Ų | 41 | 68% | 0.684 | 21% | 0.206 | S | C | * | . | S | Bend | trans | -101.4 | 28.4 | 167.5 | -67.7 | -30.2 | 0 | 0 | 0 | 112.1 | E742 | N740-E742 VanDerWaalsContact C-N 3.31Š|
| 741 | Y | 69.4 | Low | 83.1 | Confident | 128 Ų | 128 | 36.7 Ų | 36.7 | 50% | 0.502 | 18% | 0.183 | S | C | . | . | S | Bend | trans | 68.3 | 23.4 | -168.4 | -55.3 | -86 | 0 | 0 | 0 | 114.8 | I541 W626 S739 | I541-Y741 HydrophobicContact CD1-CE1 4.02Å; I541-Y741 HydrophobicContact CD1-CE2 3.75Å; I541-Y741 WeakPolarHBondContact CD1-OH 3.48Å; W626-Y741 HydrophobicContact CZ2-CE1 4.22Å; S739-Y741 PolarHBondContact OG-N 2.98Å; S739-Y741 VanDerWaalsContact OG-N 3.14Å |
| 742 | E | 69 | Low | 82.8 | Confident | 133 Ų | 133 | 37 Ų | 37 | 62% | 0.621 | 19% | 0.187 | S | C | * | . | P | Polyproline II helix | trans | -65.6 | 152.1 | 165.6 | -72.6 | -174.9 | -178.5 | 0 | 0 | 110.7 | Y701 N740 N744 | Y701-E742 PolarHBondContact OH-O 2.92Å; N740-E742 VanDerWaalsContact C-N 3.31Å; E742-N744 PolarHBondContact O-N 2.74Å; E742-N744 VanDerWaalsContact O-N 3.15Å |
| 743 | P | 72.7 | Confident | 82.3 | Confident | 65 Ų | 65 | 40 Ų | 40 | 42% | 0.422 | 20% | 0.203 | S | C | . | . | P | Polyproline II helix | trans | -58.1 | 121.9 | 177.9 | 21.7 | -30.7 | 0 | 0 | 0 | 109.8 | H745 W774 | P743-H745 PolarHBondContact O-N 3.45Å; P743-W774 HydrophobicContact CB-CH2 4.17Å; P743-W774 HydrophobicContact CB-CZ2 3.69Å; P743-W774 HydrophobicContact CG-CH2 3.54Å; P743-W774 HydrophobicContact CG-CZ2 3.61Å; P743-W774 HydrophobicContact CG-CZ3 4.4Å |
| 744 | N | 80.1 | Confident | 81.8 | Confident | 15 Ų | 15 | 44.1 Ų | 44.1 | 8% | 0.08 | 22% | 0.22 | C | C | . | . | P | Polyproline II helix | trans | -63.5 | 126.8 | 173.8 | -167.9 | 14.9 | 0 | 0 | 0 | 109.1 | F544 Y701 E742 E746 S898 | F544-N744 PolarHBondContact O-ND2 3.06Å; Y701-N744 HydrophobicContact CE1-CB 4.47Å; Y701-N744 HydrophobicContact CE2-CB 4.34Å; Y701-N744 WeakPolarHBondContact OH-CB 3.48Å; Y701-N744 PolarHBondContact OH-N 3.18Å; E742-N744 PolarHBondContact O-N 2.74Å; E742-N744 VanDerWaalsContact O-N 3.15Å; N744-E746 VanDerWaalsContact C-N 3.35Å; N744-E746 HydrophobicContact CB-CG 4.32Å; N744-E746 WeakPolarHBondContact O-CG 3.19Å; N744-E746 PolarHBondContact O-N 3.36Å; N744-E746 VanDerWaalsContact O-N 3.14Å; N744-S898 PolarHBondContact O-OG 3.49Å |
| 745 | H | 87.5 | Confident | 81.2 | Confident | 34 Ų | 34 | 47.1 Ų | 47.1 | 16% | 0.157 | 24% | 0.236 | C | C | . | . | trans | -88.5 | 79.2 | 179.7 | -62.3 | -50.1 | 0 | 0 | 0 | 109.1 | D545 P743 P748 W774 W829 A897 | D545-H745 WeakPolarHBondContact CB-O 3.38Å; P743-H745 PolarHBondContact O-N 3.45Å; H745-P748 VanDerWaalsContact O-CD 3.27Å; H745-P748 WeakPolarHBondContact O-CD 3.3Å; H745-W774 AromaticContact CE1-CD2 3.71Å; H745-W774 AromaticContact CE1-CE3 3.54Å; H745-W774 AromaticContact CE1-CZ3 3.88Å; H745-W774 AromaticContact ND1-CD2 3.63Å; H745-W774 AromaticContact ND1-CE3 3.9Å; H745-W774 AromaticContact ND1-CG 3.67Å; H745-W829 HydrophobicContact CB-CH2 4.3Å; H745-W829 HydrophobicContact CB-CZ2 4.03Å; H745-W829 AromaticContact CD2-CD1 3.33Å; H745-W829 AromaticContact CD2-CD2 3.75Å; H745-W829 AromaticContact CD2-CE2 3.5Å; H745-W829 AromaticContact CD2-CG 3.66Å; H745-W829 AromaticContact CD2-NE1 3.22Å; H745-W829 PolarHBondContact CD2-NE1 3.39Å; H745-W829 AromaticContact CE1-CD1 3.96Å; H745-W829 AromaticContact CE1-CD2 3.99Å; H745-W829 AromaticContact CE1-CG 3.63Å; H745-W829 AromaticContact CG-CD2 3.85Å; H745-W829 AromaticContact CG-CE2 3.75Å; H745-W829 AromaticContact CG-NE1 3.96Å; H745-W829 AromaticContact NE2-CD1 3.14Å; H745-W829 AromaticContact NE2-CD2 3.82Å; H745-W829 AromaticContact NE2-CG 3.28Å; H745-W829 VanDerWaalsContact NE2-CG 3.28Å; H745-W829 AromaticContact NE2-NE1 3.6Å; H745-A897 HydrophobicContact CB-CB 3.81Å | ||
| 746 | E | 85.8 | Confident | 81.2 | Confident | 23 Ų | 23 | 46.5 Ų | 46.5 | 11% | 0.107 | 23% | 0.233 | C | C | . | . | trans | -65.4 | 136.8 | -167.4 | -54.4 | 166.3 | 162.3 | 0 | 0 | 112.3 | K573 Y574 I699 N744 S898 | K573-E746 WeakPolarHBondContact CE-OE1 2.79Å; K573-E746 WeakPolarHBondContact CE-OE2 3.34Å; K573-E746 IonicContact NZ-OE1 3.07Å; K573-E746 PolarHBondContact NZ-OE1 3.38Å; K573-E746 IonicContact NZ-OE2 3.48Å; K573-E746 PolarHBondContact NZ-OE2 2.93Å; Y574-E746 VanDerWaalsContact OH-CD 3.23Å; Y574-E746 PolarHBondContact OH-OE2 3.36Å; I699-E746 HydrophobicContact CG2-CB 3.99Å; I699-E746 HydrophobicContact CG2-CG 3.56Å; N744-E746 VanDerWaalsContact C-N 3.35Å; N744-E746 HydrophobicContact CB-CG 4.32Å; N744-E746 WeakPolarHBondContact O-CG 3.19Å; N744-E746 PolarHBondContact O-N 3.36Å; N744-E746 VanDerWaalsContact O-N 3.14Å; E746-S898 PolarHBondContact N-OG 2.65Å; E746-S898 PolarHBondContact O-N 2.88Å | ||
| 747 | L | 83.8 | Confident | 81 | Confident | 20 Ų | 20 | 46.5 Ų | 46.5 | 11% | 0.105 | 23% | 0.232 | C | C | . | . | S | Bend | trans | 44.7 | 58.6 | 178.2 | -60.6 | 169.3 | 0 | 0 | 0 | 112.9 | D545 F547 V697 I699 Y930 | D545-L747 WeakPolarHBondContact O-CA 3.29Å; D545-L747 PolarHBondContact O-N 3.46Å; F547-L747 HydrophobicContact CE1-CD2 4.22Å; F547-L747 HydrophobicContact CE2-CB 4.17Å; F547-L747 HydrophobicContact CE2-CD2 4.11Å; F547-L747 HydrophobicContact CZ-CB 4.37Å; F547-L747 HydrophobicContact CZ-CD2 3.74Å; V697-L747 HydrophobicContact CG2-CD2 4.02Å; I699-L747 HydrophobicContact CD1-CD1 3.74Å; I699-L747 HydrophobicContact CD1-CD2 3.9Å; I699-L747 HydrophobicContact CD1-CG 3.57Å; I699-L747 HydrophobicContact CG1-CD2 4.5Å; I699-L747 HydrophobicContact CG1-CG 4.48Å; L747-Y930 HydrophobicContact CB-CE1 4.48Å; L747-Y930 HydrophobicContact CB-CE2 3.6Å; L747-Y930 WeakPolarHBondContact CB-OH 3.26Å; L747-Y930 HydrophobicContact CD1-CD1 4.42Å; L747-Y930 HydrophobicContact CD1-CD2 3.43Å; L747-Y930 VanDerWaalsContact CD1-CD2 3.43Å; L747-Y930 HydrophobicContact CD1-CE1 4.36Å; L747-Y930 HydrophobicContact CD1-CE2 3.35Å; L747-Y930 HydrophobicContact CD1-CG 4.01Å; L747-Y930 HydrophobicContact CG-CE2 4.04Å; L747-Y930 PolarHBondContact O-OH 2.86Å |
| 748 | P | 86.3 | Confident | 81 | Confident | 2 Ų | 2 | 44.8 Ų | 44.8 | 1% | 0.013 | 22% | 0.221 | C | C | . | . | trans | -67.6 | 142.3 | -175.9 | 24.3 | -28.5 | 0 | 0 | 0 | 111.6 | D545 F547 H745 W829 V896 A897 G945 C946 | D545-P748 HydrophobicContact CB-CG 4.3Å; D545-P748 WeakPolarHBondContact OD2-CG 3.42Å; F547-P748 HydrophobicContact CD2-CG 4.2Å; F547-P748 VanDerWaalsContact CE2-O 3.22Å; F547-P748 WeakPolarHBondContact CE2-O 3.16Å; H745-P748 VanDerWaalsContact O-CD 3.27Å; H745-P748 WeakPolarHBondContact O-CD 3.3Å; P748-W829 HydrophobicContact CB-CH2 4.41Å; P748-V896 CarbonylContact C-O 3.58Å; P748-V896 WeakPolarHBondContact CA-O 3.11Å; P748-A897 HydrophobicContact CB-CB 4Å; P748-G945 CarbonylContact O-C 3.57Å; P748-G945 VanDerWaalsContact O-CA 3.32Å; P748-G945 WeakPolarHBondContact O-CA 3.37Å; P748-G945 PolarHBondContact O-N 2.69Å; P748-C946 HydrophobicContact CB-CB 3.98Å; P748-C946 HydrophobicContact CG-CB 4.48Å | ||
| 749 | L | 86 | Confident | 80.9 | Confident | 4 Ų | 4 | 42.2 Ų | 42.2 | 2% | 0.021 | 21% | 0.209 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.2 | 131.2 | 178.5 | -65.1 | -179.6 | 0 | 0 | 0 | 110.4 | F751 I758 C895 V896 L929 Y930 I942 Q943 | L749-F751 HydrophobicContact CB-CE2 4.47Å; L749-I758 HydrophobicContact CD1-CD1 3.57Å; L749-C895 CarbonylContact O-C 3.37Å; L749-C895 WeakPolarHBondContact O-CA 3.05Å; L749-V896 PolarHBondContact N-O 3.06Å; L749-V896 PolarHBondContact O-N 3.23Å; L749-L929 HydrophobicContact CD1-CD1 3.86Å; L749-L929 HydrophobicContact CD1-CD2 4.49Å; L749-Y930 WeakPolarHBondContact CD2-OH 3.33Å; L749-I942 HydrophobicContact CB-CG2 3.93Å; L749-I942 HydrophobicContact CD1-CG2 4.27Å; L749-I942 HydrophobicContact CD2-CG2 4.03Å; L749-I942 HydrophobicContact CG-CG2 4.31Å; L749-Q943 CarbonylContact C-O 3.52Å; L749-Q943 WeakPolarHBondContact CA-O 3.41Å |
| 750 | T | 85 | Confident | 81 | Confident | 0 Ų | 0 | 41.8 Ų | 41.8 | 0% | 0 | 21% | 0.206 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -95 | 127.7 | 179.1 | -67.7 | 0 | 0 | 0 | 0 | 111.9 | N752 Q943 G945 C946 H947 F948 | T750-N752 WeakPolarHBondContact CG2-OD1 3.44Å; T750-Q943 PolarHBondContact N-O 3.28Å; T750-Q943 PolarHBondContact O-N 3.27Å; T750-G945 WeakPolarHBondContact CB-O 3.44Å; T750-G945 PolarHBondContact N-O 2.85Å; T750-G945 PolarHBondContact OG1-O 2.91Å; T750-C946 VanDerWaalsContact OG1-CA 3.31Å; T750-C946 WeakPolarHBondContact OG1-CA 3.49Å; T750-H947 PolarHBondContact OG1-N 2.95Å; T750-F948 HydrophobicContact CG2-CE1 4.05Å; T750-F948 HydrophobicContact CG2-CE2 3.61Å; T750-F948 HydrophobicContact CG2-CZ 3.29Å |
| 751 | F | 87.8 | Confident | 81.4 | Confident | 0 Ų | 0 | 39.6 Ų | 39.6 | 0% | 0 | 19% | 0.192 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -100.4 | 91.8 | 171.1 | -68.3 | -110.3 | 0 | 0 | 0 | 108.8 | L749 I758 I869 F892 Q893 G894 V896 I942 | L749-F751 HydrophobicContact CB-CE2 4.47Å; F751-I758 HydrophobicContact CE1-CD1 4.45Å; F751-I758 HydrophobicContact CE1-CG1 4.17Å; F751-I758 HydrophobicContact CE2-CD1 4.2Å; F751-I758 HydrophobicContact CZ-CD1 3.58Å; F751-I758 HydrophobicContact CZ-CG1 3.78Å; F751-I869 HydrophobicContact CE1-CG2 4.21Å; F751-I869 WeakPolarHBondContact CE1-O 3.22Å; F751-I869 HydrophobicContact CE2-CG2 4.42Å; F751-I869 HydrophobicContact CZ-CB 4.16Å; F751-I869 HydrophobicContact CZ-CG2 3.67Å; F751-F892 HydrophobicContact CB-CD1 3.85Å; F751-F892 HydrophobicContact CB-CE1 3.89Å; F751-F892 AromaticContact CD1-CD1 3.85Å; F751-F892 HydrophobicContact CD1-CD1 3.85Å; F751-F892 HydrophobicContact CD1-CE1 4.24Å; F751-F892 AromaticContact CD2-CD1 3.98Å; F751-F892 HydrophobicContact CD2-CD1 3.98Å; F751-F892 AromaticContact CD2-CE1 3.51Å; F751-F892 HydrophobicContact CD2-CE1 3.51Å; F751-F892 HydrophobicContact CE1-CD1 4.4Å; F751-F892 HydrophobicContact CE2-CE1 4.06Å; F751-F892 AromaticContact CG-CD1 3.62Å; F751-F892 HydrophobicContact CG-CD1 3.62Å; F751-F892 AromaticContact CG-CE1 3.62Å; F751-F892 HydrophobicContact CG-CE1 3.62Å; F751-Q893 VanDerWaalsContact O-CA 3.29Å; F751-Q893 WeakPolarHBondContact O-CA 3.31Å; F751-G894 PolarHBondContact N-O 3.01Å; F751-G894 PolarHBondContact O-N 3.25Å; F751-V896 HydrophobicContact CD2-CG2 4.33Å; F751-V896 HydrophobicContact CE2-CB 4Å; F751-V896 HydrophobicContact CE2-CG2 3.74Å; F751-V896 HydrophobicContact CZ-CG2 4.39Å; F751-I942 HydrophobicContact CD1-CD1 3.44Å; F751-I942 VanDerWaalsContact CD1-CD1 3.44Å; F751-I942 HydrophobicContact CD2-CD1 4.07Å; F751-I942 HydrophobicContact CE1-CD1 3.36Å; F751-I942 HydrophobicContact CE2-CD1 4.01Å; F751-I942 HydrophobicContact CG-CD1 3.8Å; F751-I942 HydrophobicContact CZ-CD1 3.67Å |
| 752 | N | 75.7 | Confident | 82 | Confident | 51 Ų | 51 | 33.8 Ų | 33.8 | 27% | 0.273 | 17% | 0.169 | S | C | . | . | trans | -73.2 | -38.3 | -174.2 | -79.2 | -33.8 | 0 | 0 | 0 | 112.8 | T750 S756 Q893 Q943 | T750-N752 WeakPolarHBondContact CG2-OD1 3.44Å; N752-S756 PolarHBondContact N-OG 2.69Å; N752-Q893 PolarHBondContact O-NE2 3Å; N752-Q943 PolarHBondContact ND2-OE1 3.07Å | ||
| 753 | N | 78.7 | Confident | 82.3 | Confident | 66 Ų | 66 | 33 Ų | 33 | 35% | 0.353 | 17% | 0.166 | S | C | . | . | S | Bend | trans | -118.2 | 160.8 | -167.6 | -66.2 | -13.1 | 0 | 0 | 0 | 111.3 | D755 S756 | N753-D755 WeakPolarHBondContact CB-OD1 3.45Å; N753-D755 PolarHBondContact O-N 3.28Å; N753-S756 PolarHBondContact N-OG 3.42Å; N753-S756 VanDerWaalsContact O-CB 3.25Å; N753-S756 WeakPolarHBondContact O-CB 3.39Å; N753-S756 PolarHBondContact O-N 3.36Å; N753-S756 VanDerWaalsContact O-N 3.1Å; N753-S756 PolarHBondContact O-OG 3.09Å |
| 754 | K | 77 | Confident | 82.6 | Confident | 101 Ų | 101 | 35.1 Ų | 35.1 | 44% | 0.439 | 17% | 0.17 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -66.2 | -13.7 | 175.7 | -65.7 | -177.9 | -177.4 | -179.6 | 0 | 113.4 | S871 G891 | K754-S871 VanDerWaalsContact O-CB 3.25Å; K754-S871 WeakPolarHBondContact O-CB 3.43Å; K754-S871 PolarHBondContact O-OG 2.81Å; K754-G891 WeakPolarHBondContact O-CA 3.3Å |
| 755 | D | 77.4 | Confident | 82.7 | Confident | 70 Ų | 70 | 36.3 Ų | 36.3 | 37% | 0.374 | 18% | 0.18 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -102.3 | -0.7 | 176.3 | 61.8 | -6.8 | 0 | 0 | 0 | 112.5 | N753 T757 H940 N941 | N753-D755 WeakPolarHBondContact CB-OD1 3.45Å; N753-D755 PolarHBondContact O-N 3.28Å; D755-T757 PolarHBondContact O-N 2.9Å; D755-H940 PolarHBondContact O-CD2 2.84Å; D755-H940 IonicContact OD2-NE2 3.97Å; D755-N941 PolarHBondContact OD1-ND2 2.84Å; D755-N941 PolarHBondContact OD2-ND2 2.85Å |
| 756 | S | 84 | Confident | 82.5 | Confident | 0 Ų | 0 | 34.7 Ų | 34.7 | 0% | 0 | 17% | 0.172 | C | C | . | . | trans | -57.9 | 124.8 | 175 | -67.2 | 0 | 0 | 0 | 0 | 110.1 | N752 N753 G870 S871 H940 N941 | N752-S756 PolarHBondContact N-OG 2.69Å; N753-S756 PolarHBondContact N-OG 3.42Å; N753-S756 VanDerWaalsContact O-CB 3.25Å; N753-S756 WeakPolarHBondContact O-CB 3.39Å; N753-S756 PolarHBondContact O-N 3.36Å; N753-S756 VanDerWaalsContact O-N 3.1Å; N753-S756 PolarHBondContact O-OG 3.09Å; S756-G870 WeakPolarHBondContact O-CA 3.45Å; S756-S871 PolarHBondContact O-N 2.85Å; S756-H940 CarbonylContact C-O 3.5Å; S756-H940 VanDerWaalsContact CA-O 3.28Å; S756-H940 WeakPolarHBondContact CA-O 3.45Å; S756-N941 WeakPolarHBondContact CB-O 3.21Å; S756-N941 PolarHBondContact OG-O 2.86Å | ||
| 757 | T | 83.7 | Confident | 82.3 | Confident | 3 Ų | 3 | 34 Ų | 34 | 2% | 0.018 | 17% | 0.169 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -148.5 | 146.8 | -176.4 | -175.6 | 0 | 0 | 0 | 0 | 112.3 | D755 I869 S871 H940 | D755-T757 PolarHBondContact O-N 2.9Å; T757-I869 CarbonylContact C-O 3.5Å; T757-I869 VanDerWaalsContact CA-O 3.29Å; T757-I869 WeakPolarHBondContact CA-O 3Å; T757-I869 PolarHBondContact OG1-O 3.22Å; T757-S871 WeakPolarHBondContact CB-O 3.38Å; T757-S871 PolarHBondContact OG1-O 2.92Å; T757-H940 HydrophobicContact CG2-CB 3.66Å; T757-H940 PolarHBondContact N-O 3.15Å; T757-H940 PolarHBondContact O-N 3.16Å |
| 758 | I | 85.6 | Confident | 82.4 | Confident | 0 Ų | 0 | 35.5 Ų | 35.5 | 0% | 0 | 18% | 0.176 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.5 | 121.8 | 167.2 | -57.5 | 179 | 0 | 0 | 0 | 106.4 | L749 F751 I760 N868 I869 L929 V937 S938 L939 I942 | L749-I758 HydrophobicContact CD1-CD1 3.57Å; F751-I758 HydrophobicContact CE1-CD1 4.45Å; F751-I758 HydrophobicContact CE1-CG1 4.17Å; F751-I758 HydrophobicContact CE2-CD1 4.2Å; F751-I758 HydrophobicContact CZ-CD1 3.58Å; F751-I758 HydrophobicContact CZ-CG1 3.78Å; I758-I760 HydrophobicContact CG2-CG1 4.16Å; I758-N868 CarbonylContact O-C 3.55Å; I758-N868 WeakPolarHBondContact O-CA 3.36Å; I758-I869 HydrophobicContact CB-CB 4.24Å; I758-I869 PolarHBondContact N-O 2.87Å; I758-I869 PolarHBondContact O-N 3.02Å; I758-L929 HydrophobicContact CD1-CD2 4.11Å; I758-L929 HydrophobicContact CG2-CD2 3.72Å; I758-V937 HydrophobicContact CG2-CG1 4.2Å; I758-S938 CarbonylContact C-O 3.55Å; I758-S938 WeakPolarHBondContact CA-O 3.08Å; I758-L939 HydrophobicContact CD1-CD2 4.21Å; I758-L939 HydrophobicContact CG1-CD2 4.12Å; I758-L939 HydrophobicContact CG1-CG 4.42Å; I758-I942 HydrophobicContact CD1-CD1 4.45Å; I758-I942 HydrophobicContact CD1-CG1 4.42Å; I758-I942 HydrophobicContact CG1-CD1 3.97Å; I758-I942 HydrophobicContact CG1-CG1 3.85Å |
| 759 | E | 84.7 | Confident | 82.5 | Confident | 33 Ų | 33 | 35.6 Ų | 35.6 | 15% | 0.154 | 18% | 0.176 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.9 | 120.7 | 175.2 | 169.1 | 169.7 | -161.3 | 0 | 0 | 109 | T866 N868 V937 S938 | E759-T866 HydrophobicContact CG-CG2 4.18Å; E759-N868 VanDerWaalsContact CA-OD1 3.31Å; E759-N868 WeakPolarHBondContact CA-OD1 3.27Å; E759-N868 WeakPolarHBondContact CB-OD1 3.49Å; E759-N868 WeakPolarHBondContact CG-OD1 3.37Å; E759-V937 CarbonylContact O-C 3.44Å; E759-V937 WeakPolarHBondContact O-CA 3.49Å; E759-S938 WeakPolarHBondContact CB-OG 3.29Å; E759-S938 PolarHBondContact N-O 3.3Å; E759-S938 PolarHBondContact O-N 2.92Å |
| 760 | I | 85.2 | Confident | 82.6 | Confident | 1 Ų | 1 | 37.5 Ų | 37.5 | 1% | 0.005 | 19% | 0.188 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.4 | 113 | 176 | -54.4 | 171.3 | 0 | 0 | 0 | 107.1 | I758 L762 T866 I867 F899 L929 V937 | I758-I760 HydrophobicContact CG2-CG1 4.16Å; I760-L762 HydrophobicContact CG2-CD2 4.25Å; I760-T866 WeakPolarHBondContact O-CA 3.02Å; I760-I867 HydrophobicContact CB-CB 4.22Å; I760-I867 PolarHBondContact N-O 3.21Å; I760-I867 PolarHBondContact O-N 3.48Å; I760-F899 HydrophobicContact CD1-CE1 3.88Å; I760-F899 HydrophobicContact CD1-CE2 4.35Å; I760-F899 HydrophobicContact CD1-CZ 3.59Å; I760-L929 HydrophobicContact CD1-CD2 4.43Å; I760-V937 HydrophobicContact CG1-CG1 4.37Å; I760-V937 HydrophobicContact CG1-CG2 4.33Å; I760-V937 HydrophobicContact CG2-CG2 4.43Å |
| 761 | Q | 83.4 | Confident | 82.9 | Confident | 83 Ų | 83 | 37.5 Ų | 37.5 | 39% | 0.388 | 19% | 0.188 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -97.3 | 115 | 175.2 | -172.2 | 175.4 | 9.1 | 0 | 0 | 110.2 | K936 | Q761-K936 HydrophobicContact CB-CB 4.47Å; Q761-K936 PolarHBondContact N-O 3.08Å |
| 762 | L | 81.9 | Confident | 83.1 | Confident | 5 Ų | 5 | 37.5 Ų | 37.5 | 3% | 0.026 | 19% | 0.188 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -75.8 | 135.3 | 177.2 | -54.3 | 179 | 0 | 0 | 0 | 110 | I760 H764 T766 L864 K865 F901 | I760-L762 HydrophobicContact CG2-CD2 4.25Å; L762-H764 WeakPolarHBondContact CB-O 3.35Å; L762-T766 HydrophobicContact CD1-CG2 4.01Å; L762-L864 HydrophobicContact CD1-CB 4.45Å; L762-L864 HydrophobicContact CD1-CD2 4.26Å; L762-L864 HydrophobicContact CD1-CG 3.9Å; L762-K865 WeakPolarHBondContact CB-O 3.28Å; L762-K865 PolarHBondContact N-O 2.81Å; L762-F901 HydrophobicContact CD1-CE1 3.93Å; L762-F901 HydrophobicContact CD1-CZ 3.92Å; L762-F901 HydrophobicContact CD2-CD1 4.36Å; L762-F901 HydrophobicContact CD2-CE1 3.64Å; L762-F901 HydrophobicContact CD2-CZ 4.43Å; L762-F901 HydrophobicContact CG-CE1 4.46Å |
| 763 | E | 75.5 | Confident | 83.9 | Confident | 118 Ų | 118 | 35.2 Ų | 35.2 | 55% | 0.551 | 18% | 0.176 | S | C | * | . | E | Extended strand (participates in β ladder) | trans | -66.5 | -40.4 | 174.5 | -73.9 | -170.9 | 149.7 | 0 | 0 | 111.9 | T934 Q935 | E763-T934 WeakPolarHBondContact CG-O 3.43Å; E763-Q935 HydrophobicContact CG-CG 4.3Å |
| 764 | H | 79.8 | Confident | 84.5 | Confident | 108 Ų | 108 | 34.4 Ų | 34.4 | 50% | 0.5 | 17% | 0.168 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.2 | 137.1 | 177 | -59.9 | -61.4 | 0 | 0 | 0 | 110 | L762 I905 | L762-H764 WeakPolarHBondContact CB-O 3.35Å; H764-I905 HydrophobicContact CB-CG2 4.19Å |
| 765 | S | 81.2 | Confident | 85.2 | Confident | 41 Ų | 41 | 29.6 Ų | 29.6 | 29% | 0.287 | 15% | 0.147 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -71 | 148.7 | 174 | 58.9 | 0 | 0 | 0 | 0 | 111 | L864 | S765-L864 CarbonylContact C-O 3.47Å; S765-L864 WeakPolarHBondContact CA-O 3.48Å |
| 766 | T | 83.5 | Confident | 85.7 | Confident | 0 Ų | 0 | 27.1 Ų | 27.1 | 0% | 0 | 13% | 0.133 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -134.6 | 133 | -178.4 | 175.6 | 0 | 0 | 0 | 0 | 113.1 | L762 E768 F769 A863 L864 F901 Y903 S904 D906 | L762-T766 HydrophobicContact CD1-CG2 4.01Å; T766-E768 PolarHBondContact OG1-N 2.83Å; T766-E768 PolarHBondContact OG1-O 2.81Å; T766-F769 HydrophobicContact CG2-CB 4.5Å; T766-F769 HydrophobicContact CG2-CD1 4.39Å; T766-A863 CarbonylContact O-C 3.44Å; T766-A863 WeakPolarHBondContact O-CA 3.45Å; T766-L864 HydrophobicContact CG2-CB 3.99Å; T766-L864 PolarHBondContact N-O 3.22Å; T766-L864 PolarHBondContact O-N 2.91Å; T766-F901 HydrophobicContact CG2-CZ 4.1Å; T766-Y903 HydrophobicContact CG2-CD2 4.25Å; T766-Y903 HydrophobicContact CG2-CG 4.14Å; T766-S904 WeakPolarHBondContact CB-O 3.33Å; T766-S904 PolarHBondContact OG1-O 3.25Å; T766-D906 WeakPolarHBondContact CA-OD2 3.41Å |
| 767 | S | 82.4 | Confident | 85.9 | Confident | 7 Ų | 7 | 27.1 Ų | 27.1 | 5% | 0.049 | 13% | 0.133 | C | C | . | . | S | Bend | trans | -95.6 | -10.7 | 177.5 | 71.1 | 0 | 0 | 0 | 0 | 113.8 | K836 F862 D906 | S767-K836 VanDerWaalsContact O-CG 3.3Å; S767-K836 WeakPolarHBondContact O-CG 3.44Å; S767-F862 WeakPolarHBondContact CA-O 3.39Å; S767-D906 WeakPolarHBondContact CB-OD1 3.26Å; S767-D906 WeakPolarHBondContact CB-OD2 3.39Å; S767-D906 VanDerWaalsContact N-CG 3.3Å; S767-D906 PolarHBondContact N-OD1 3.17Å; S767-D906 PolarHBondContact N-OD2 3.5Å; S767-D906 PolarHBondContact OG-OD1 2.94Å; S767-D906 PolarHBondContact OG-OD2 3.46Å |
| 768 | E | 85.1 | Confident | 85.9 | Confident | 52 Ų | 52 | 31.5 Ų | 31.5 | 24% | 0.243 | 15% | 0.151 | C | C | . | . | trans | -122.7 | 121.2 | 173.6 | -53.2 | -154.8 | 111.2 | 0 | 0 | 112 | T766 K836 E838 Y903 S904 | T766-E768 PolarHBondContact OG1-N 2.83Å; T766-E768 PolarHBondContact OG1-O 2.81Å; E768-K836 CarbonylContact C-O 3.57Å; E768-K836 WeakPolarHBondContact CA-O 3.22Å; E768-E838 HydrophobicContact CG-CB 3.51Å; E768-E838 HydrophobicContact CG-CG 4.08Å; E768-E838 VanDerWaalsContact CG-N 3.32Å; E768-E838 WeakPolarHBondContact OE1-CB 3.36Å; E768-E838 PolarHBondContact OE1-N 2.86Å; E768-Y903 WeakPolarHBondContact O-CA 3.26Å; E768-Y903 VanDerWaalsContact O-CB 3.31Å; E768-Y903 WeakPolarHBondContact O-CB 3.24Å; E768-S904 WeakPolarHBondContact CB-OG 3.47Å; E768-S904 PolarHBondContact O-N 3.42Å; E768-S904 PolarHBondContact OE2-OG 3.47Å | ||
| 769 | F | 88.3 | Confident | 85.7 | Confident | 4 Ų | 4 | 35.9 Ų | 35.9 | 2% | 0.018 | 17% | 0.17 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -154.3 | 157.8 | 175.4 | 61.1 | -91.6 | 0 | 0 | 0 | 113.5 | T766 L771 L786 V834 I835 K836 M843 F862 L864 F901 N902 | T766-F769 HydrophobicContact CG2-CB 4.5Å; T766-F769 HydrophobicContact CG2-CD1 4.39Å; F769-L771 HydrophobicContact CD2-CB 4.36Å; F769-L786 HydrophobicContact CE2-CD1 4.12Å; F769-L786 HydrophobicContact CZ-CD1 4.17Å; F769-V834 HydrophobicContact CE2-CG1 4.08Å; F769-I835 WeakPolarHBondContact O-CA 3.34Å; F769-K836 HydrophobicContact CD1-CB 3.98Å; F769-K836 HydrophobicContact CD1-CG 4.48Å; F769-K836 HydrophobicContact CE1-CB 3.63Å; F769-K836 HydrophobicContact CE1-CG 4Å; F769-K836 HydrophobicContact CE2-CB 4.2Å; F769-K836 HydrophobicContact CG-CB 4.4Å; F769-K836 HydrophobicContact CZ-CB 3.75Å; F769-K836 HydrophobicContact CZ-CG 4.44Å; F769-K836 PolarHBondContact N-O 3.48Å; F769-K836 PolarHBondContact O-N 2.88Å; F769-M843 HydrophobicContact CZ-CE 4.37Å; F769-F862 AromaticContact CE1-CD1 3.99Å; F769-F862 HydrophobicContact CE1-CD1 3.99Å; F769-F862 AromaticContact CE1-CE1 3.85Å; F769-F862 HydrophobicContact CE1-CE1 3.85Å; F769-F862 HydrophobicContact CZ-CD1 4.35Å; F769-F862 AromaticContact CZ-CE1 3.95Å; F769-F862 HydrophobicContact CZ-CE1 3.95Å; F769-L864 HydrophobicContact CD1-CB 4.05Å; F769-L864 HydrophobicContact CD1-CD2 3.82Å; F769-L864 HydrophobicContact CD2-CD2 4.11Å; F769-L864 HydrophobicContact CE1-CB 3.83Å; F769-L864 HydrophobicContact CE1-CD2 3.83Å; F769-L864 HydrophobicContact CE1-CG 4.43Å; F769-L864 HydrophobicContact CE2-CD2 4.11Å; F769-L864 HydrophobicContact CG-CD2 3.97Å; F769-L864 HydrophobicContact CZ-CD2 3.97Å; F769-F901 HydrophobicContact CB-CD2 4.4Å; F769-F901 HydrophobicContact CB-CE2 3.53Å; F769-F901 HydrophobicContact CB-CZ 4.03Å; F769-F901 AromaticContact CD2-CE2 3.96Å; F769-F901 HydrophobicContact CD2-CE2 3.96Å; F769-F901 AromaticContact CG-CE2 3.87Å; F769-F901 HydrophobicContact CG-CE2 3.87Å; F769-F901 HydrophobicContact CG-CZ 4.49Å; F769-N902 CarbonylContact C-O 3.59Å; F769-N902 WeakPolarHBondContact CA-O 3.31Å |
| 770 | V | 89.6 | Confident | 85.6 | Confident | 44 Ų | 44 | 37.4 Ų | 37.4 | 27% | 0.267 | 18% | 0.175 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.7 | 112.1 | 168.2 | 178.5 | 0 | 0 | 0 | 0 | 106.8 | V834 I835 F901 N902 | V770-V834 WeakPolarHBondContact CA-O 3.48Å; V770-I835 HydrophobicContact CB-CG1 4.48Å; V770-I835 HydrophobicContact CG1-CG1 4.02Å; V770-I835 HydrophobicContact CG2-CG1 4.17Å; V770-I835 HydrophobicContact CG2-CG2 4.17Å; V770-F901 WeakPolarHBondContact O-CA 3.47Å; V770-N902 HydrophobicContact CB-CB 4.35Å; V770-N902 PolarHBondContact N-O 3.29Å; V770-N902 PolarHBondContact O-N 2.03Å |
| 771 | L | 91.4 | Very high | 85.5 | Confident | 1 Ų | 1 | 37.3 Ų | 37.3 | 1% | 0.005 | 18% | 0.175 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.1 | 123.4 | 175.3 | 175.2 | 69.5 | 0 | 0 | 0 | 108.4 | F769 M773 L784 L786 E833 V834 F899 S900 F901 | F769-L771 HydrophobicContact CD2-CB 4.36Å; L771-M773 HydrophobicContact CD1-CE 4.26Å; L771-M773 HydrophobicContact CD2-CE 4.14Å; L771-M773 HydrophobicContact CG-CE 4.17Å; L771-L784 HydrophobicContact CD2-CD1 3.88Å; L771-L784 HydrophobicContact CD2-CD2 3.6Å; L771-L784 HydrophobicContact CD2-CG 4.35Å; L771-L786 HydrophobicContact CD2-CD2 3.87Å; L771-E833 CarbonylContact O-C 3.54Å; L771-E833 WeakPolarHBondContact O-CA 3.37Å; L771-V834 HydrophobicContact CB-CB 4.3Å; L771-V834 PolarHBondContact N-O 2.9Å; L771-V834 PolarHBondContact O-N 2.77Å; L771-F899 HydrophobicContact CD1-CD2 4.28Å; L771-F899 HydrophobicContact CD1-CE1 4.42Å; L771-F899 HydrophobicContact CD1-CE2 3.39Å; L771-F899 HydrophobicContact CD1-CZ 3.47Å; L771-F899 VanDerWaalsContact CD1-CZ 3.47Å; L771-S900 CarbonylContact C-O 3.55Å; L771-S900 WeakPolarHBondContact CA-O 3.43Å; L771-F901 HydrophobicContact CB-CD2 4.07Å; L771-F901 HydrophobicContact CD1-CB 4.12Å; L771-F901 HydrophobicContact CD1-CD2 3.9Å; L771-F901 HydrophobicContact CD1-CG 4.37Å |
| 772 | G | 90.6 | Very high | 85.3 | Confident | 0 Ų | 0 | 33.7 Ų | 33.7 | 0% | 0 | 16% | 0.159 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.9 | 141.6 | 178.6 | 0 | 0 | 0 | 0 | 0 | 111.8 | I832 F899 S900 | G772-I832 CarbonylContact C-O 3.57Å; G772-I832 VanDerWaalsContact CA-O 3.31Å; G772-I832 WeakPolarHBondContact CA-O 3.31Å; G772-F899 CarbonylContact O-C 3.6Å; G772-F899 WeakPolarHBondContact O-CA 3.31Å; G772-S900 PolarHBondContact N-O 2.88Å; G772-S900 PolarHBondContact O-N 2.02Å; G772-S900 PolarHBondContact O-OG 2.82Å |
| 773 | M | 92 | Very high | 85.5 | Confident | 3 Ų | 3 | 33.5 Ų | 33.5 | 2% | 0.015 | 16% | 0.158 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -157.8 | 154.2 | 173.1 | 65 | -174.7 | 74.4 | 0 | 0 | 112.1 | L771 L784 I832 I869 V896 F899 | L771-M773 HydrophobicContact CD1-CE 4.26Å; L771-M773 HydrophobicContact CD2-CE 4.14Å; L771-M773 HydrophobicContact CG-CE 4.17Å; M773-L784 HydrophobicContact CE-CD1 4.1Å; M773-I832 HydrophobicContact CG-CB 4.41Å; M773-I832 PolarHBondContact N-O 3.42Å; M773-I832 PolarHBondContact O-N 3.5Å; M773-I869 HydrophobicContact CE-CD1 4.17Å; M773-I869 HydrophobicContact CE-CG1 4.5Å; M773-V896 HydrophobicContact CB-CG1 4.1Å; M773-V896 HydrophobicContact CG-CG1 4.47Å; M773-V896 HydrophobicContact SD-CG1 4.01Å; M773-F899 HydrophobicContact CB-CD2 4.43Å; M773-F899 HydrophobicContact CE-CD2 3.87Å; M773-F899 HydrophobicContact CE-CE2 3.85Å |
| 774 | W | 92.8 | Very high | 86.1 | Confident | 49 Ų | 49 | 28 Ų | 28 | 19% | 0.186 | 13% | 0.133 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -91.9 | 141.6 | 163.7 | -70.6 | 88.2 | 0 | 0 | 0 | 110.3 | P743 H745 W829 Y830 H831 V896 A897 | P743-W774 HydrophobicContact CB-CH2 4.17Å; P743-W774 HydrophobicContact CB-CZ2 3.69Å; P743-W774 HydrophobicContact CG-CH2 3.54Å; P743-W774 HydrophobicContact CG-CZ2 3.61Å; P743-W774 HydrophobicContact CG-CZ3 4.4Å; H745-W774 AromaticContact CE1-CD2 3.71Å; H745-W774 AromaticContact CE1-CE3 3.54Å; H745-W774 AromaticContact CE1-CZ3 3.88Å; H745-W774 AromaticContact ND1-CD2 3.63Å; H745-W774 AromaticContact ND1-CE3 3.9Å; H745-W774 AromaticContact ND1-CG 3.67Å; W774-W829 HydrophobicContact CB-CE3 3.75Å; W774-W829 HydrophobicContact CB-CZ3 3.98Å; W774-W829 HydrophobicContact CE3-CB 3.96Å; W774-W829 HydrophobicContact CZ3-CB 4.33Å; W774-Y830 CarbonylContact C-O 3.53Å; W774-Y830 WeakPolarHBondContact CA-O 3.42Å; W774-H831 AromaticContact CD1-CD2 3.95Å; W774-H831 HydrophobicContact CD2-CB 4.02Å; W774-H831 AromaticContact CE2-CD2 3.8Å; W774-H831 HydrophobicContact CE3-CB 3.95Å; W774-H831 HydrophobicContact CH2-CB 3.93Å; W774-H831 HydrophobicContact CZ2-CB 3.96Å; W774-H831 HydrophobicContact CZ3-CB 3.92Å; W774-H831 AromaticContact NE1-CD2 3.64Å; W774-V896 CarbonylContact O-C 3.46Å; W774-V896 VanDerWaalsContact O-CA 3.24Å; W774-V896 WeakPolarHBondContact O-CA 3.38Å; W774-A897 HydrophobicContact CB-CB 4.23Å; W774-A897 PolarHBondContact N-O 2.82Å; W774-A897 PolarHBondContact O-N 2.85Å |
| 775 | I | 91.5 | Very high | 86.5 | Confident | 0 Ų | 0 | 23.3 Ų | 23.3 | 0% | 0 | 11% | 0.111 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -137 | 135.2 | 179.6 | -179.8 | 160 | 0 | 0 | 0 | 111.9 | W777 V783 W829 Y830 I832 F892 C895 | I775-W777 HydrophobicContact CB-CH2 4.37Å; I775-W777 HydrophobicContact CB-CZ3 4.35Å; I775-W777 HydrophobicContact CD1-CD2 4.17Å; I775-W777 HydrophobicContact CD1-CH2 4.15Å; I775-W777 HydrophobicContact CD1-CZ2 3.59Å; I775-W777 HydrophobicContact CG1-CD2 3.98Å; I775-W777 HydrophobicContact CG1-CE3 4.03Å; I775-W777 HydrophobicContact CG1-CH2 4.15Å; I775-W777 HydrophobicContact CG1-CZ2 4.02Å; I775-W777 HydrophobicContact CG1-CZ3 4.13Å; I775-W777 HydrophobicContact CG2-CE3 4.16Å; I775-W777 HydrophobicContact CG2-CH2 3.33Å; I775-W777 HydrophobicContact CG2-CZ2 3.94Å; I775-W777 HydrophobicContact CG2-CZ3 3.44Å; I775-W777 VanDerWaalsContact CG2-CZ3 3.44Å; I775-V783 HydrophobicContact CD1-CB 4.09Å; I775-V783 HydrophobicContact CD1-CG1 3.23Å; I775-V783 HydrophobicContact CD1-CG2 3.65Å; I775-W829 CarbonylContact O-C 3.53Å; I775-W829 WeakPolarHBondContact O-CA 3.36Å; I775-Y830 WeakPolarHBondContact CG2-O 3.45Å; I775-Y830 PolarHBondContact N-O 3.23Å; I775-Y830 PolarHBondContact O-N 2.84Å; I775-I832 HydrophobicContact CG2-CD1 3.46Å; I775-I832 VanDerWaalsContact CG2-CD1 3.46Å; I775-I832 HydrophobicContact CG2-CG1 3.84Å; I775-F892 HydrophobicContact CD1-CD2 4.12Å; I775-F892 HydrophobicContact CD1-CE1 4.38Å; I775-F892 HydrophobicContact CD1-CE2 3.47Å; I775-F892 VanDerWaalsContact CD1-CE2 3.47Å; I775-F892 HydrophobicContact CD1-CZ 3.61Å; I775-F892 HydrophobicContact CG1-CE2 3.75Å; I775-F892 HydrophobicContact CG1-CZ 3.7Å; I775-C895 CarbonylContact C-O 3.45Å; I775-C895 WeakPolarHBondContact CA-O 3.44Å |
| 776 | K | 88.3 | Confident | 86.9 | Confident | 17 Ų | 17 | 21.5 Ų | 21.5 | 7% | 0.074 | 10% | 0.098 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.3 | 112.6 | 172.5 | -168.6 | 178.9 | -169.1 | -179.9 | 0 | 108.3 | R827 E828 W829 G894 C895 D950 D955 | K776-R827 WeakPolarHBondContact CE-O 3.19Å; K776-E828 WeakPolarHBondContact CA-O 3.42Å; K776-W829 HydrophobicContact CB-CD2 3.75Å; K776-W829 HydrophobicContact CB-CE3 3.75Å; K776-W829 HydrophobicContact CB-CG 4.33Å; K776-W829 HydrophobicContact CB-CH2 4.22Å; K776-W829 HydrophobicContact CB-CZ2 4.2Å; K776-W829 HydrophobicContact CB-CZ3 3.99Å; K776-W829 HydrophobicContact CD-CD2 4.4Å; K776-W829 HydrophobicContact CD-CZ2 4.32Å; K776-W829 HydrophobicContact CG-CD2 4.43Å; K776-G894 CarbonylContact O-C 3.54Å; K776-G894 WeakPolarHBondContact O-CA 3.24Å; K776-C895 HydrophobicContact CB-CB 4.19Å; K776-C895 PolarHBondContact N-O 3.05Å; K776-C895 PolarHBondContact O-N 3.41Å; K776-D950 IonicContact NZ-OD2 2.64Å; K776-D950 PolarHBondContact NZ-OD2 2.93Å; K776-D955 IonicContact NZ-OD2 3.27Å; K776-D955 PolarHBondContact NZ-OD2 2.9Å |
| 777 | W | 86.6 | Confident | 87.1 | Confident | 1 Ų | 1 | 22.9 Ų | 22.9 | 0% | 0.004 | 10% | 0.104 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -80 | 134.4 | 178.4 | -73.8 | -95.2 | 0 | 0 | 0 | 111.4 | I775 V783 L803 V824 V826 R827 Y830 I832 F892 | I775-W777 HydrophobicContact CB-CH2 4.37Å; I775-W777 HydrophobicContact CB-CZ3 4.35Å; I775-W777 HydrophobicContact CD1-CD2 4.17Å; I775-W777 HydrophobicContact CD1-CH2 4.15Å; I775-W777 HydrophobicContact CD1-CZ2 3.59Å; I775-W777 HydrophobicContact CG1-CD2 3.98Å; I775-W777 HydrophobicContact CG1-CE3 4.03Å; I775-W777 HydrophobicContact CG1-CH2 4.15Å; I775-W777 HydrophobicContact CG1-CZ2 4.02Å; I775-W777 HydrophobicContact CG1-CZ3 4.13Å; I775-W777 HydrophobicContact CG2-CE3 4.16Å; I775-W777 HydrophobicContact CG2-CH2 3.33Å; I775-W777 HydrophobicContact CG2-CZ2 3.94Å; I775-W777 HydrophobicContact CG2-CZ3 3.44Å; I775-W777 VanDerWaalsContact CG2-CZ3 3.44Å; W777-V783 HydrophobicContact CZ2-CG2 4.16Å; W777-L803 HydrophobicContact CH2-CD1 4.4Å; W777-L803 HydrophobicContact CH2-CD2 3.97Å; W777-L803 HydrophobicContact CZ2-CD2 3.74Å; W777-V824 HydrophobicContact CD2-CG1 4.04Å; W777-V824 HydrophobicContact CE3-CG1 3.33Å; W777-V824 HydrophobicContact CH2-CG1 4.06Å; W777-V824 HydrophobicContact CH2-CG2 4.47Å; W777-V824 HydrophobicContact CZ3-CG1 3.33Å; W777-V824 HydrophobicContact CZ3-CG2 4.42Å; W777-V826 WeakPolarHBondContact O-CG1 3.27Å; W777-R827 PolarHBondContact O-N 3.18Å; W777-Y830 HydrophobicContact CE3-CD2 4.15Å; W777-Y830 AromaticContact CZ3-CD2 3.67Å; W777-Y830 HydrophobicContact CZ3-CD2 3.67Å; W777-Y830 AromaticContact CZ3-CG 3.91Å; W777-Y830 HydrophobicContact CZ3-CG 3.91Å; W777-I832 HydrophobicContact CH2-CD1 3.88Å; W777-I832 HydrophobicContact CZ2-CD1 4.28Å; W777-F892 AromaticContact CD1-CD2 3.66Å; W777-F892 AromaticContact CD1-CE2 3.65Å; W777-F892 HydrophobicContact CG-CE2 4.08Å; W777-F892 AromaticContact NE1-CD2 3.83Å; W777-F892 AromaticContact NE1-CE2 3.91Å |
| 778 | K | 83.9 | Confident | 87.2 | Confident | 94 Ų | 94 | 22.7 Ų | 22.7 | 41% | 0.409 | 10% | 0.103 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -94.9 | -38.9 | 160.2 | 179.7 | -176.7 | -173.4 | 173.4 | 0 | 111 | V826 Q893 F948 | K778-V826 WeakPolarHBondContact O-CG1 3.25Å; K778-Q893 WeakPolarHBondContact CA-O 3.49Å; K778-Q893 HydrophobicContact CB-CB 4.46Å; K778-Q893 WeakPolarHBondContact CB-O 3.18Å; K778-Q893 PolarHBondContact N-O 2.81Å; K778-F948 HydrophobicContact CB-CD2 4.45Å; K778-F948 HydrophobicContact CB-CE2 4.45Å; K778-F948 HydrophobicContact CD-CD1 3.54Å; K778-F948 HydrophobicContact CD-CD2 4.34Å; K778-F948 HydrophobicContact CD-CE1 3.52Å; K778-F948 HydrophobicContact CD-CE2 4.29Å; K778-F948 HydrophobicContact CD-CG 3.97Å; K778-F948 HydrophobicContact CD-CZ 3.88Å; K778-F948 VanDerWaalsContact NZ-CD1 3.29Å; K778-F948 VanDerWaalsContact NZ-CE1 3.26Å |
| 779 | K | 82.8 | Confident | 86.6 | Confident | 92 Ų | 92 | 22.7 Ų | 22.7 | 40% | 0.4 | 12% | 0.117 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -140.4 | 138 | 176.9 | -167.1 | 170.7 | -175.9 | 169.1 | 0 | 110 | T890 Q893 | K779-T890 HydrophobicContact CD-CG2 3.94Å; K779-T890 HydrophobicContact CG-CG2 4.36Å; K779-Q893 HydrophobicContact CB-CB 4.14Å; K779-Q893 PolarHBondContact N-O 3.31Å |
| 780 | Y | 82.3 | Confident | 85.8 | Confident | 65 Ų | 65 | 29.5 Ų | 29.5 | 26% | 0.255 | 15% | 0.147 | S | C | . | . | trans | -62.4 | 144.7 | 176.6 | -55.6 | -51.6 | 0 | 0 | 0 | 111.6 | S798 G801 V824 V826 T890 | Y780-S798 WeakPolarHBondContact CB-O 2.99Å; Y780-S798 VanDerWaalsContact CD1-OG 3.32Å; Y780-S798 WeakPolarHBondContact CD1-OG 3.43Å; Y780-G801 VanDerWaalsContact CE1-CA 3.41Å; Y780-G801 VanDerWaalsContact CZ-N 3.32Å; Y780-V824 PolarHBondContact OH-O 3.49Å; Y780-V826 HydrophobicContact CD1-CG2 4.46Å; Y780-V826 HydrophobicContact CE1-CG2 3.59Å; Y780-V826 HydrophobicContact CE2-CG2 4.07Å; Y780-V826 VanDerWaalsContact OH-CG2 3.24Å; Y780-V826 WeakPolarHBondContact OH-CG2 3.41Å; Y780-T890 VanDerWaalsContact O-CB 3.31Å; Y780-T890 WeakPolarHBondContact O-CB 3.32Å; Y780-T890 PolarHBondContact O-OG1 3.18Å | ||
| 781 | G | 82.1 | Confident | 85 | Confident | 0 Ų | 0 | 35.4 Ų | 35.4 | 0% | 0 | 16% | 0.164 | C | C | . | . | S | Bend | trans | 170 | -178.6 | -177.1 | 0 | 0 | 0 | 0 | 0 | 112.6 | S798 T890 | G781-S798 PolarHBondContact N-O 3.37Å; G781-S798 VanDerWaalsContact N-O 3.14Å; G781-S798 PolarHBondContact O-N 3.12Å; G781-S798 VanDerWaalsContact O-N 3.07Å; G781-T890 VanDerWaalsContact CA-O 3.29Å; G781-T890 WeakPolarHBondContact CA-O 3.32Å |
| 782 | A | 80.8 | Confident | 84.5 | Confident | 6 Ų | 6 | 36 Ų | 36 | 5% | 0.05 | 17% | 0.167 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -74.1 | 131.3 | 174.4 | 0 | 0 | 0 | 0 | 0 | 110.5 | F785 E797 I886 T890 F892 | A782-F785 HydrophobicContact CB-CE2 3.99Å; A782-F785 HydrophobicContact CB-CZ 3.79Å; A782-E797 HydrophobicContact CB-CB 4.43Å; A782-E797 HydrophobicContact CB-CG 4.32Å; A782-I886 HydrophobicContact CB-CG2 4.34Å; A782-T890 PolarHBondContact N-O 3.09Å; A782-F892 WeakPolarHBondContact O-CB 3.43Å; A782-F892 PolarHBondContact O-N 2.61Å |
| 783 | V | 85.7 | Confident | 84.3 | Confident | 1 Ų | 1 | 36.6 Ų | 36.6 | 1% | 0.006 | 17% | 0.17 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.5 | -45.9 | -170.8 | 174.7 | 0 | 0 | 0 | 0 | 112.3 | I775 W777 L796 I869 G870 F892 | I775-V783 HydrophobicContact CD1-CB 4.09Å; I775-V783 HydrophobicContact CD1-CG1 3.23Å; I775-V783 HydrophobicContact CD1-CG2 3.65Å; W777-V783 HydrophobicContact CZ2-CG2 4.16Å; V783-L796 PolarHBondContact N-O 2.83Å; V783-I869 CarbonylContact O-C 3.54Å; V783-I869 VanDerWaalsContact O-CA 3.26Å; V783-I869 WeakPolarHBondContact O-CA 3.49Å; V783-G870 PolarHBondContact O-N 3.27Å; V783-F892 HydrophobicContact CG2-CB 4.05Å; V783-F892 HydrophobicContact CG2-CD2 3.69Å; V783-F892 HydrophobicContact CG2-CE2 4.33Å; V783-F892 HydrophobicContact CG2-CG 3.98Å |
| 784 | L | 88.4 | Confident | 84.1 | Confident | 4 Ų | 4 | 36.5 Ų | 36.5 | 2% | 0.021 | 17% | 0.169 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -133.3 | 133.7 | -169.1 | 176.9 | 69.7 | 0 | 0 | 0 | 110 | L771 M773 L786 I795 L796 V834 I867 N868 I869 | L771-L784 HydrophobicContact CD2-CD1 3.88Å; L771-L784 HydrophobicContact CD2-CD2 3.6Å; L771-L784 HydrophobicContact CD2-CG 4.35Å; M773-L784 HydrophobicContact CE-CD1 4.1Å; L784-L786 HydrophobicContact CD1-CD2 4.02Å; L784-L786 HydrophobicContact CD2-CD1 4.36Å; L784-L786 HydrophobicContact CD2-CD2 4.3Å; L784-L786 HydrophobicContact CD2-CG 4.25Å; L784-L786 HydrophobicContact CG-CD2 4.18Å; L784-L786 HydrophobicContact CG-CG 4.21Å; L784-I795 CarbonylContact O-C 3.59Å; L784-I795 VanDerWaalsContact O-CA 3.29Å; L784-I795 WeakPolarHBondContact O-CA 3.4Å; L784-L796 HydrophobicContact CB-CB 3.98Å; L784-L796 PolarHBondContact N-O 2.7Å; L784-L796 PolarHBondContact O-N 3.17Å; L784-V834 HydrophobicContact CD2-CG2 4.08Å; L784-I867 HydrophobicContact CD1-CG2 3.83Å; L784-N868 CarbonylContact C-O 3.57Å; L784-N868 WeakPolarHBondContact CA-O 3.17Å; L784-I869 HydrophobicContact CD1-CG1 4.23Å |
| 785 | F | 87.4 | Confident | 83.8 | Confident | 9 Ų | 9 | 34.1 Ų | 34.1 | 4% | 0.039 | 16% | 0.161 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.3 | 122.4 | 173.7 | -60.2 | -106.2 | 0 | 0 | 0 | 109.2 | A782 F794 I795 I867 N868 G870 L872 I886 | A782-F785 HydrophobicContact CB-CE2 3.99Å; A782-F785 HydrophobicContact CB-CZ 3.79Å; F785-F794 CarbonylContact C-O 3.51Å; F785-F794 WeakPolarHBondContact CA-O 3.39Å; F785-I795 HydrophobicContact CD1-CB 4.35Å; F785-I795 HydrophobicContact CD1-CD1 3.99Å; F785-I795 HydrophobicContact CD1-CG1 3.74Å; F785-I795 HydrophobicContact CD1-CG2 3.88Å; F785-I795 HydrophobicContact CE1-CB 4.46Å; F785-I795 HydrophobicContact CE1-CD1 3.93Å; F785-I795 HydrophobicContact CE1-CG1 4.07Å; F785-I795 HydrophobicContact CE1-CG2 3.63Å; F785-I795 HydrophobicContact CG-CG2 4.43Å; F785-I795 HydrophobicContact CZ-CG2 3.97Å; F785-I867 WeakPolarHBondContact O-CA 3.49Å; F785-N868 HydrophobicContact CB-CB 4.1Å; F785-N868 HydrophobicContact CD2-CB 4.47Å; F785-N868 PolarHBondContact N-O 3.38Å; F785-N868 PolarHBondContact O-N 3.13Å; F785-G870 WeakPolarHBondContact CE2-O 3.13Å; F785-L872 HydrophobicContact CD1-CD1 4.47Å; F785-L872 HydrophobicContact CG-CD1 4.49Å; F785-I886 HydrophobicContact CE1-CD1 3.68Å; F785-I886 HydrophobicContact CZ-CD1 4.06Å |
| 786 | L | 90.1 | Very high | 83.7 | Confident | 3 Ų | 3 | 34.3 Ų | 34.3 | 2% | 0.016 | 16% | 0.162 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.8 | 121 | 175.3 | -57.5 | 177.8 | 0 | 0 | 0 | 108.4 | F769 L771 L784 N793 F794 V834 F862 L864 I867 | F769-L786 HydrophobicContact CE2-CD1 4.12Å; F769-L786 HydrophobicContact CZ-CD1 4.17Å; L771-L786 HydrophobicContact CD2-CD2 3.87Å; L784-L786 HydrophobicContact CD1-CD2 4.02Å; L784-L786 HydrophobicContact CD2-CD1 4.36Å; L784-L786 HydrophobicContact CD2-CD2 4.3Å; L784-L786 HydrophobicContact CD2-CG 4.25Å; L784-L786 HydrophobicContact CG-CD2 4.18Å; L784-L786 HydrophobicContact CG-CG 4.21Å; L786-N793 CarbonylContact O-C 3.48Å; L786-N793 VanDerWaalsContact O-CA 3.25Å; L786-N793 WeakPolarHBondContact O-CA 3.41Å; L786-F794 HydrophobicContact CB-CB 4.19Å; L786-F794 HydrophobicContact CD1-CB 4.43Å; L786-F794 PolarHBondContact N-O 2.98Å; L786-F794 PolarHBondContact O-N 3.1Å; L786-V834 HydrophobicContact CD1-CG1 4Å; L786-F862 HydrophobicContact CB-CE1 4.49Å; L786-F862 HydrophobicContact CB-CZ 4Å; L786-L864 HydrophobicContact CB-CD1 3.78Å; L786-L864 HydrophobicContact CD2-CD1 4.02Å; L786-L864 HydrophobicContact CD2-CD2 4.37Å; L786-L864 HydrophobicContact CG-CD1 4.47Å; L786-I867 HydrophobicContact CD2-CB 4.37Å; L786-I867 HydrophobicContact CD2-CG1 3.99Å; L786-I867 HydrophobicContact CD2-CG2 4.01Å |
| 787 | Q | 87.4 | Confident | 83.7 | Confident | 28 Ų | 28 | 33.7 Ų | 33.7 | 13% | 0.131 | 16% | 0.159 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.3 | 132.4 | -173.2 | -48.2 | -173 | -37.4 | 0 | 0 | 111 | N793 K865 T866 Y882 | Q787-N793 WeakPolarHBondContact CB-OD1 3.2Å; Q787-N793 VanDerWaalsContact CG-OD1 3.26Å; Q787-N793 WeakPolarHBondContact CG-OD1 3.34Å; Q787-K865 PolarHBondContact O-N 2.84Å; Q787-T866 PolarHBondContact N-O 3.39Å; Q787-T866 PolarHBondContact O-N 2.91Å; Q787-T866 VanDerWaalsContact O-N 3.09Å; Q787-Y882 PolarHBondContact NE2-OH 3.3Å |
| 788 | D | 83.8 | Confident | 83.6 | Confident | 3 Ų | 3 | 33.8 Ų | 33.8 | 2% | 0.016 | 16% | 0.16 | C | C | . | . | trans | -90.3 | -6.7 | -179.6 | 73.8 | -13.4 | 0 | 0 | 0 | 115.3 | F790 R791 Q792 F862 A863 | D788-F790 PolarHBondContact O-N 2.75Å; D788-F790 WeakPolarHBondContact OD1-CA 3.39Å; D788-F790 PolarHBondContact OD1-N 3.47Å; D788-R791 PolarHBondContact OD1-N 2.87Å; D788-Q792 HydrophobicContact CB-CB 4.46Å; D788-Q792 PolarHBondContact N-O 2.74Å; D788-Q792 VanDerWaalsContact N-O 3.12Å; D788-Q792 PolarHBondContact OD1-N 2.78Å; D788-Q792 VanDerWaalsContact OD1-O 3.08Å; D788-Q792 WeakPolarHBondContact OD2-CB 3.37Å; D788-Q792 VanDerWaalsContact OD2-CG 3.31Å; D788-Q792 WeakPolarHBondContact OD2-CG 3.34Å; D788-Q792 PolarHBondContact OD2-NE2 2.9Å; D788-F862 HydrophobicContact CB-CD2 3.63Å; D788-F862 HydrophobicContact CB-CE2 3.6Å; D788-F862 HydrophobicContact CB-CG 4.36Å; D788-F862 HydrophobicContact CB-CZ 4.29Å; D788-A863 CarbonylContact C-O 3.57Å; D788-A863 WeakPolarHBondContact CA-O 3.36Å; D788-A863 VanDerWaalsContact CB-O 3.3Å; D788-A863 WeakPolarHBondContact CB-O 3.41Å | ||
| 789 | G | 72.6 | Confident | 83.5 | Confident | 53 Ų | 53 | 31.4 Ų | 31.4 | 55% | 0.546 | 15% | 0.151 | S | C | . | . | S | Bend | trans | 79.3 | -7.1 | -174 | 0 | 0 | 0 | 0 | 0 | 115.6 | ||
| 790 | F | 72.5 | Confident | 83.4 | Confident | 146 Ų | 146 | 32.7 Ų | 32.7 | 64% | 0.64 | 16% | 0.162 | S | C | * | . | S | Bend | trans | -115.7 | 28 | 179 | -63.6 | -79.5 | 0 | 0 | 0 | 112.9 | D788 | D788-F790 PolarHBondContact O-N 2.75Å; D788-F790 WeakPolarHBondContact OD1-CA 3.39Å; D788-F790 PolarHBondContact OD1-N 3.47Å |
| 791 | R | 73.4 | Confident | 83.3 | Confident | 169 Ų | 169 | 29.6 Ų | 29.6 | 64% | 0.638 | 15% | 0.15 | S | C | * | . | S | Bend | trans | 70.9 | 16.2 | -179.2 | -52 | -175.7 | 174.3 | -165.9 | -0.9 | 115.8 | D788 | D788-R791 PolarHBondContact OD1-N 2.87Š|
| 792 | Q | 80.8 | Confident | 83.5 | Confident | 13 Ų | 13 | 35.6 Ų | 35.6 | 6% | 0.061 | 17% | 0.173 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -94.7 | 130 | 162.6 | -54 | 174.5 | 81.5 | 0 | 0 | 110.1 | D788 V808 N809 Y861 F862 | D788-Q792 HydrophobicContact CB-CB 4.46Å; D788-Q792 PolarHBondContact N-O 2.74Å; D788-Q792 VanDerWaalsContact N-O 3.12Å; D788-Q792 PolarHBondContact OD1-N 2.78Å; D788-Q792 VanDerWaalsContact OD1-O 3.08Å; D788-Q792 WeakPolarHBondContact OD2-CB 3.37Å; D788-Q792 VanDerWaalsContact OD2-CG 3.31Å; D788-Q792 WeakPolarHBondContact OD2-CG 3.34Å; D788-Q792 PolarHBondContact OD2-NE2 2.9Å; Q792-V808 CarbonylContact C-O 3.53Å; Q792-V808 VanDerWaalsContact CA-O 3.24Å; Q792-V808 WeakPolarHBondContact CA-O 3.32Å; Q792-N809 HydrophobicContact CG-CB 4.17Å; Q792-Y861 PolarHBondContact NE2-O 2.78Å; Q792-F862 HydrophobicContact CB-CD2 3.89Å; Q792-F862 HydrophobicContact CB-CE2 4.2Å |
| 793 | N | 84.3 | Confident | 83.8 | Confident | 12 Ų | 12 | 35.7 Ų | 35.7 | 6% | 0.064 | 17% | 0.172 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -134.4 | 137.4 | 179.3 | -54.9 | -69.6 | 0 | 0 | 0 | 110.7 | L786 Q787 H807 V808 Y882 | L786-N793 CarbonylContact O-C 3.48Å; L786-N793 VanDerWaalsContact O-CA 3.25Å; L786-N793 WeakPolarHBondContact O-CA 3.41Å; Q787-N793 WeakPolarHBondContact CB-OD1 3.2Å; Q787-N793 VanDerWaalsContact CG-OD1 3.26Å; Q787-N793 WeakPolarHBondContact CG-OD1 3.34Å; N793-H807 WeakPolarHBondContact O-CA 3.31Å; N793-V808 HydrophobicContact CB-CB 4.34Å; N793-V808 PolarHBondContact N-O 3.27Å; N793-V808 PolarHBondContact O-N 3.38Å; N793-Y882 HydrophobicContact CB-CE1 4.32Å; N793-Y882 WeakPolarHBondContact ND2-CE1 3.46Å; N793-Y882 PolarHBondContact ND2-OH 2.73Å; N793-Y882 VanDerWaalsContact ND2-OH 3.11Å; N793-Y882 PolarHBondContact OD1-OH 3.08Å |
| 794 | F | 88.2 | Confident | 83.9 | Confident | 1 Ų | 1 | 37 Ų | 37 | 0% | 0.004 | 18% | 0.178 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.5 | 127.9 | 166.5 | -66.2 | -90 | 0 | 0 | 0 | 109.2 | F785 L786 L805 I806 H807 M843 M856 F862 | F785-F794 CarbonylContact C-O 3.51Å; F785-F794 WeakPolarHBondContact CA-O 3.39Å; L786-F794 HydrophobicContact CB-CB 4.19Å; L786-F794 HydrophobicContact CD1-CB 4.43Å; L786-F794 PolarHBondContact N-O 2.98Å; L786-F794 PolarHBondContact O-N 3.1Å; F794-L805 HydrophobicContact CB-CD1 4.29Å; F794-L805 HydrophobicContact CD1-CD2 3.77Å; F794-L805 HydrophobicContact CD1-CG 4.35Å; F794-L805 HydrophobicContact CE1-CD2 4.38Å; F794-I806 CarbonylContact C-O 3.58Å; F794-I806 WeakPolarHBondContact CA-O 3Å; F794-H807 HydrophobicContact CD1-CB 3.89Å; F794-H807 AromaticContact CD1-CD2 3.8Å; F794-H807 HydrophobicContact CE1-CB 3.73Å; F794-H807 AromaticContact CE1-CD2 3.29Å; F794-H807 WeakPolarHBondContact CE1-CD2 3.46Å; F794-H807 AromaticContact CE1-CG 3.51Å; F794-H807 AromaticContact CE2-CD2 3.82Å; F794-H807 AromaticContact CZ-CD2 3.3Å; F794-H807 WeakPolarHBondContact CZ-CD2 3.46Å; F794-H807 AromaticContact CZ-CG 3.93Å; F794-H807 AromaticContact CZ-NE2 3.59Å; F794-M843 HydrophobicContact CB-CE 4.43Å; F794-M843 HydrophobicContact CB-SD 4.49Å; F794-M843 HydrophobicContact CD1-CE 3.79Å; F794-M843 HydrophobicContact CD1-SD 3.79Å; F794-M843 HydrophobicContact CD2-CE 3.43Å; F794-M843 VanDerWaalsContact CD2-CE 3.43Å; F794-M843 HydrophobicContact CD2-SD 4.41Å; F794-M843 HydrophobicContact CE1-CE 3.75Å; F794-M843 HydrophobicContact CE1-SD 4.02Å; F794-M843 HydrophobicContact CE2-CE 3.4Å; F794-M843 HydrophobicContact CG-CE 3.62Å; F794-M843 HydrophobicContact CG-SD 3.98Å; F794-M843 HydrophobicContact CZ-CE 3.56Å; F794-M843 HydrophobicContact CZ-SD 4.43Å; F794-M856 HydrophobicContact CZ-CG 4.04Å; F794-M856 HydrophobicContact CZ-SD 3.96Å; F794-F862 HydrophobicContact CD2-CD1 4.41Å; F794-F862 AromaticContact CD2-CD2 3.85Å; F794-F862 HydrophobicContact CD2-CD2 3.85Å; F794-F862 HydrophobicContact CD2-CE1 4.1Å; F794-F862 AromaticContact CD2-CE2 3.47Å; F794-F862 HydrophobicContact CD2-CE2 3.47Å; F794-F862 VanDerWaalsContact CD2-CE2 3.47Å; F794-F862 HydrophobicContact CD2-CG 4.29Å; F794-F862 AromaticContact CD2-CZ 3.63Å; F794-F862 HydrophobicContact CD2-CZ 3.63Å; F794-F862 HydrophobicContact CE2-CB 4.35Å; F794-F862 HydrophobicContact CE2-CD1 4.11Å; F794-F862 AromaticContact CE2-CD2 3.42Å; F794-F862 HydrophobicContact CE2-CD2 3.42Å; F794-F862 VanDerWaalsContact CE2-CD2 3.42Å; F794-F862 HydrophobicContact CE2-CE1 4.26Å; F794-F862 AromaticContact CE2-CE2 3.6Å; F794-F862 HydrophobicContact CE2-CE2 3.6Å; F794-F862 AromaticContact CE2-CG 3.69Å; F794-F862 HydrophobicContact CE2-CG 3.69Å; F794-F862 HydrophobicContact CE2-CZ 4.03Å |
| 795 | I | 87.5 | Confident | 83.9 | Confident | 0 Ų | 0 | 37 Ų | 37 | 0% | 0 | 18% | 0.178 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.1 | 121.3 | -175.5 | -49.2 | 173.2 | 0 | 0 | 0 | 108.3 | L784 F785 L805 I806 V808 Y882 I886 | L784-I795 CarbonylContact O-C 3.59Å; L784-I795 VanDerWaalsContact O-CA 3.29Å; L784-I795 WeakPolarHBondContact O-CA 3.4Å; F785-I795 HydrophobicContact CD1-CB 4.35Å; F785-I795 HydrophobicContact CD1-CD1 3.99Å; F785-I795 HydrophobicContact CD1-CG1 3.74Å; F785-I795 HydrophobicContact CD1-CG2 3.88Å; F785-I795 HydrophobicContact CE1-CB 4.46Å; F785-I795 HydrophobicContact CE1-CD1 3.93Å; F785-I795 HydrophobicContact CE1-CG1 4.07Å; F785-I795 HydrophobicContact CE1-CG2 3.63Å; F785-I795 HydrophobicContact CG-CG2 4.43Å; F785-I795 HydrophobicContact CZ-CG2 3.97Å; I795-L805 CarbonylContact O-C 3.51Å; I795-L805 WeakPolarHBondContact O-CA 3.04Å; I795-I806 HydrophobicContact CB-CB 4.19Å; I795-I806 PolarHBondContact N-O 3.18Å; I795-I806 PolarHBondContact O-N 2.79Å; I795-V808 HydrophobicContact CD1-CG2 4.37Å; I795-Y882 HydrophobicContact CD1-CD1 4.18Å; I795-I886 HydrophobicContact CD1-CD1 3.85Å; I795-I886 HydrophobicContact CD1-CG1 4.12Å; I795-I886 HydrophobicContact CG2-CD1 4.39Å |
| 796 | L | 89.6 | Confident | 83.9 | Confident | 4 Ų | 4 | 36.6 Ų | 36.6 | 2% | 0.021 | 18% | 0.176 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -97.4 | 122.5 | 173.5 | -172.2 | 64.7 | 0 | 0 | 0 | 109.6 | V783 L784 L805 I818 I832 | V783-L796 PolarHBondContact N-O 2.83Å; L784-L796 HydrophobicContact CB-CB 3.98Å; L784-L796 PolarHBondContact N-O 2.7Å; L784-L796 PolarHBondContact O-N 3.17Å; L796-L805 HydrophobicContact CB-CD1 4.4Å; L796-L805 HydrophobicContact CD1-CD1 4.39Å; L796-I818 HydrophobicContact CD1-CD1 3.31Å; L796-I832 HydrophobicContact CD2-CD1 3.84Å; L796-I832 HydrophobicContact CD2-CG2 3.84Å |
| 797 | E | 87.4 | Confident | 83.7 | Confident | 4 Ų | 4 | 36.6 Ų | 36.6 | 2% | 0.019 | 18% | 0.177 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -132.3 | 144 | -177.7 | -176.9 | -178.1 | -162 | 0 | 0 | 110.8 | A782 I799 L803 Q804 | A782-E797 HydrophobicContact CB-CB 4.43Å; A782-E797 HydrophobicContact CB-CG 4.32Å; E797-I799 HydrophobicContact CG-CG1 3.97Å; E797-L803 WeakPolarHBondContact O-CA 3.46Å; E797-Q804 HydrophobicContact CB-CG 4.08Å; E797-Q804 PolarHBondContact N-O 3.29Å; E797-Q804 PolarHBondContact O-N 2.7Å; E797-Q804 PolarHBondContact OE2-NE2 2.71Å |
| 798 | S | 85.3 | Confident | 83.5 | Confident | 2 Ų | 2 | 35.6 Ų | 35.6 | 1% | 0.014 | 17% | 0.172 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.2 | 124.1 | 167 | 177.6 | 0 | 0 | 0 | 0 | 109.9 | Y780 G781 R802 | Y780-S798 WeakPolarHBondContact CB-O 2.99Å; Y780-S798 VanDerWaalsContact CD1-OG 3.32Å; Y780-S798 WeakPolarHBondContact CD1-OG 3.43Å; G781-S798 PolarHBondContact N-O 3.37Å; G781-S798 VanDerWaalsContact N-O 3.14Å; G781-S798 PolarHBondContact O-N 3.12Å; G781-S798 VanDerWaalsContact O-N 3.07Å; S798-R802 CarbonylContact C-O 3.59Å; S798-R802 WeakPolarHBondContact CA-O 3.45Å |
| 799 | I | 81 | Confident | 83.4 | Confident | 44 Ų | 44 | 36 Ų | 36 | 23% | 0.226 | 17% | 0.174 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.9 | 120.6 | 173.8 | -57.7 | -176.1 | 0 | 0 | 0 | 108.9 | E797 G801 R802 H887 | E797-I799 HydrophobicContact CG-CG1 3.97Å; I799-G801 PolarHBondContact O-N 2.99Å; I799-G801 VanDerWaalsContact O-N 3.1Å; I799-R802 PolarHBondContact N-O 3.05Å; I799-R802 WeakPolarHBondContact O-CB 3.04Å; I799-R802 PolarHBondContact O-N 2.73Å; I799-H887 HydrophobicContact CD1-CB 4.34Å |
| 800 | D | 80.4 | Confident | 83.6 | Confident | 120 Ų | 120 | 38.1 Ų | 38.1 | 64% | 0.642 | 17% | 0.173 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 48.5 | 38.5 | -179.4 | -63 | -24.5 | 0 | 0 | 0 | 113.5 | R802 | D800-R802 VanDerWaalsContact C-N 3.32Å; D800-R802 PolarHBondContact O-N 3.02Å |
| 801 | G | 80.6 | Confident | 83.6 | Confident | 0 Ų | 0 | 35.8 Ų | 35.8 | 0% | 0 | 17% | 0.167 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 80.8 | -3.4 | -176.9 | 0 | 0 | 0 | 0 | 0 | 115.3 | Y780 I799 R823 V824 | Y780-G801 VanDerWaalsContact CE1-CA 3.41Å; Y780-G801 VanDerWaalsContact CZ-N 3.32Å; I799-G801 PolarHBondContact O-N 2.99Å; I799-G801 VanDerWaalsContact O-N 3.1Å; G801-R823 CarbonylContact O-C 3.53Å; G801-R823 VanDerWaalsContact O-CA 3.27Å; G801-R823 WeakPolarHBondContact O-CA 3.18Å; G801-V824 WeakPolarHBondContact O-CB 3.48Å; G801-V824 PolarHBondContact O-N 3.43Å |
| 802 | R | 86.6 | Confident | 83.8 | Confident | 126 Ų | 126 | 33.7 Ų | 33.7 | 48% | 0.475 | 17% | 0.165 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -92.6 | 127.3 | 175.7 | -66.9 | 179 | 174.2 | 149.7 | -4.9 | 110.9 | S798 I799 D800 | S798-R802 CarbonylContact C-O 3.59Å; S798-R802 WeakPolarHBondContact CA-O 3.45Å; I799-R802 PolarHBondContact N-O 3.05Å; I799-R802 WeakPolarHBondContact O-CB 3.04Å; I799-R802 PolarHBondContact O-N 2.73Å; D800-R802 VanDerWaalsContact C-N 3.32Å; D800-R802 PolarHBondContact O-N 3.02Å |
| 803 | L | 87.7 | Confident | 83.7 | Confident | 7 Ų | 7 | 35.2 Ų | 35.2 | 4% | 0.037 | 18% | 0.175 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -82.1 | 130.9 | 174.3 | -71 | 170.3 | 0 | 0 | 0 | 110.9 | W777 E797 I818 V824 V847 | W777-L803 HydrophobicContact CH2-CD1 4.4Å; W777-L803 HydrophobicContact CH2-CD2 3.97Å; W777-L803 HydrophobicContact CZ2-CD2 3.74Å; E797-L803 WeakPolarHBondContact O-CA 3.46Å; L803-I818 HydrophobicContact CB-CB 4.04Å; L803-I818 HydrophobicContact CB-CD1 4.41Å; L803-I818 PolarHBondContact O-N 3.42Å; L803-V824 HydrophobicContact CD1-CG2 3.59Å; L803-V824 HydrophobicContact CD2-CG2 4.34Å; L803-V824 HydrophobicContact CG-CG2 3.64Å; L803-V847 HydrophobicContact CD1-CG1 3.94Å; L803-V847 HydrophobicContact CD1-CG2 3.88Å |
| 804 | Q | 87.6 | Confident | 83.6 | Confident | 29 Ų | 29 | 37.2 Ų | 37.2 | 14% | 0.136 | 18% | 0.184 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.3 | 140.1 | 174.3 | 65.6 | 178.5 | 9.8 | 0 | 0 | 110.8 | E797 I806 Y816 | E797-Q804 HydrophobicContact CB-CG 4.08Å; E797-Q804 PolarHBondContact N-O 3.29Å; E797-Q804 PolarHBondContact O-N 2.7Å; E797-Q804 PolarHBondContact OE2-NE2 2.71Å; Q804-I806 HydrophobicContact CG-CG1 4.46Å; Q804-Y816 CarbonylContact C-O 3.49Å; Q804-Y816 WeakPolarHBondContact CA-O 3.46Å |
| 805 | L | 88.6 | Confident | 83.5 | Confident | 4 Ų | 4 | 42.8 Ų | 42.8 | 2% | 0.021 | 21% | 0.208 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -99.1 | 128.5 | 165.6 | -169.5 | 76.3 | 0 | 0 | 0 | 109.4 | F794 I795 L796 K815 Y816 I818 M843 I845 V854 | F794-L805 HydrophobicContact CB-CD1 4.29Å; F794-L805 HydrophobicContact CD1-CD2 3.77Å; F794-L805 HydrophobicContact CD1-CG 4.35Å; F794-L805 HydrophobicContact CE1-CD2 4.38Å; I795-L805 CarbonylContact O-C 3.51Å; I795-L805 WeakPolarHBondContact O-CA 3.04Å; L796-L805 HydrophobicContact CB-CD1 4.4Å; L796-L805 HydrophobicContact CD1-CD1 4.39Å; L805-K815 CarbonylContact O-C 3.54Å; L805-K815 WeakPolarHBondContact O-CA 3.44Å; L805-Y816 PolarHBondContact N-O 2.94Å; L805-Y816 PolarHBondContact O-N 2.72Å; L805-I818 HydrophobicContact CB-CD1 4.04Å; L805-M843 HydrophobicContact CD2-SD 4.29Å; L805-I845 HydrophobicContact CB-CD1 3.91Å; L805-I845 HydrophobicContact CD1-CD1 3.49Å; L805-I845 VanDerWaalsContact CD1-CD1 3.49Å; L805-I845 HydrophobicContact CD2-CD1 3.42Å; L805-I845 VanDerWaalsContact CD2-CD1 3.42Å; L805-I845 HydrophobicContact CG-CD1 3.77Å; L805-V854 HydrophobicContact CD2-CB 4.23Å; L805-V854 HydrophobicContact CD2-CG1 3.97Å; L805-V854 HydrophobicContact CD2-CG2 3.81Å |
| 806 | I | 86.7 | Confident | 83.5 | Confident | 0 Ų | 0 | 45 Ų | 45 | 0% | 0 | 22% | 0.217 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.7 | 115.3 | 173.8 | -49.9 | 178.3 | 0 | 0 | 0 | 107.6 | F794 I795 Q804 V808 T813 Q814 K815 | F794-I806 CarbonylContact C-O 3.58Å; F794-I806 WeakPolarHBondContact CA-O 3Å; I795-I806 HydrophobicContact CB-CB 4.19Å; I795-I806 PolarHBondContact N-O 3.18Å; I795-I806 PolarHBondContact O-N 2.79Å; Q804-I806 HydrophobicContact CG-CG1 4.46Å; I806-V808 HydrophobicContact CG2-CG2 3.99Å; I806-T813 HydrophobicContact CG2-CG2 3.41Å; I806-T813 VanDerWaalsContact CG2-CG2 3.41Å; I806-Q814 CarbonylContact C-O 3.55Å; I806-Q814 WeakPolarHBondContact CA-O 3.29Å; I806-K815 HydrophobicContact CG1-CG 4.33Å |
| 807 | H | 85.9 | Confident | 83.3 | Confident | 4 Ų | 4 | 49.1 Ų | 49.1 | 2% | 0.019 | 25% | 0.246 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -98.2 | 118.5 | 170.7 | 175 | -137.3 | 0 | 0 | 0 | 108.8 | N793 F794 T813 Q814 Y816 | N793-H807 WeakPolarHBondContact O-CA 3.31Å; F794-H807 HydrophobicContact CD1-CB 3.89Å; F794-H807 AromaticContact CD1-CD2 3.8Å; F794-H807 HydrophobicContact CE1-CB 3.73Å; F794-H807 AromaticContact CE1-CD2 3.29Å; F794-H807 WeakPolarHBondContact CE1-CD2 3.46Å; F794-H807 AromaticContact CE1-CG 3.51Å; F794-H807 AromaticContact CE2-CD2 3.82Å; F794-H807 AromaticContact CZ-CD2 3.3Å; F794-H807 WeakPolarHBondContact CZ-CD2 3.46Å; F794-H807 AromaticContact CZ-CG 3.93Å; F794-H807 AromaticContact CZ-NE2 3.59Å; H807-T813 CarbonylContact O-C 3.55Å; H807-T813 WeakPolarHBondContact O-CA 3.46Å; H807-Q814 HydrophobicContact CB-CB 4.47Å; H807-Q814 PolarHBondContact N-O 3.32Å; H807-Q814 PolarHBondContact O-N 3.44Å; H807-Y816 HydrophobicContact CB-CE2 4.22Å |
| 808 | V | 82.7 | Confident | 83.1 | Confident | 7 Ų | 7 | 49.3 Ų | 49.3 | 4% | 0.042 | 25% | 0.247 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.3 | 123.2 | 177.2 | -176 | 0 | 0 | 0 | 0 | 107.9 | Q792 N793 I795 I806 Q812 | Q792-V808 CarbonylContact C-O 3.53Å; Q792-V808 VanDerWaalsContact CA-O 3.24Å; Q792-V808 WeakPolarHBondContact CA-O 3.32Å; N793-V808 HydrophobicContact CB-CB 4.34Å; N793-V808 PolarHBondContact N-O 3.27Å; N793-V808 PolarHBondContact O-N 3.38Å; I795-V808 HydrophobicContact CD1-CG2 4.37Å; I806-V808 HydrophobicContact CG2-CG2 3.99Å; V808-Q812 CarbonylContact C-O 3.46Å; V808-Q812 WeakPolarHBondContact CA-O 3.44Å |
| 809 | N | 82.2 | Confident | 82.6 | Confident | 10 Ų | 10 | 50 Ų | 50 | 5% | 0.053 | 26% | 0.255 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.2 | 116.1 | 176.5 | 178 | 0.1 | 0 | 0 | 0 | 109.2 | Q792 D811 Q812 | Q792-N809 HydrophobicContact CG-CB 4.17Å; N809-D811 VanDerWaalsContact C-N 3.26Å; N809-D811 PolarHBondContact O-N 3.08Å; N809-Q812 PolarHBondContact N-O 3.12Å; N809-Q812 WeakPolarHBondContact O-CB 3.34Å; N809-Q812 PolarHBondContact O-N 2.81Å |
| 810 | N | 77.2 | Confident | 82.1 | Confident | 99 Ų | 99 | 50.3 Ų | 50.3 | 53% | 0.529 | 27% | 0.269 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 45.4 | 52.2 | -179.7 | -69.7 | -27.4 | 0 | 0 | 0 | 112.1 | Q812 | N810-Q812 PolarHBondContact O-N 3.34Å; N810-Q812 VanDerWaalsContact O-N 3.1Å |
| 811 | D | 71.2 | Confident | 81.4 | Confident | 96 Ų | 96 | 51.3 Ų | 51.3 | 51% | 0.513 | 27% | 0.274 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 68.1 | -2.8 | -179.2 | -49.7 | -42.6 | 0 | 0 | 0 | 116.2 | N809 Y885 | N809-D811 VanDerWaalsContact C-N 3.26Å; N809-D811 PolarHBondContact O-N 3.08Å; D811-Y885 PolarHBondContact O-OH 3.21Å; D811-Y885 VanDerWaalsContact O-OH 3.1Å |
| 812 | Q | 77.3 | Confident | 81.1 | Confident | 126 Ų | 126 | 57 Ų | 57 | 59% | 0.589 | 30% | 0.301 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -84.5 | 132 | 169.4 | -60.9 | -169.6 | -12.7 | 0 | 0 | 110.9 | V808 N809 N810 I858 | V808-Q812 CarbonylContact C-O 3.46Å; V808-Q812 WeakPolarHBondContact CA-O 3.44Å; N809-Q812 PolarHBondContact N-O 3.12Å; N809-Q812 WeakPolarHBondContact O-CB 3.34Å; N809-Q812 PolarHBondContact O-N 2.81Å; N810-Q812 PolarHBondContact O-N 3.34Å; N810-Q812 VanDerWaalsContact O-N 3.1Å; Q812-I858 VanDerWaalsContact OE1-CD1 3.3Å |
| 813 | T | 79.9 | Confident | 80.8 | Confident | 45 Ų | 45 | 58.8 Ų | 58.8 | 28% | 0.276 | 31% | 0.307 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.4 | 135 | -175.9 | -62.4 | 0 | 0 | 0 | 0 | 112.1 | I806 H807 K815 Y885 | I806-T813 HydrophobicContact CG2-CG2 3.41Å; I806-T813 VanDerWaalsContact CG2-CG2 3.41Å; H807-T813 CarbonylContact O-C 3.55Å; H807-T813 WeakPolarHBondContact O-CA 3.46Å; T813-K815 HydrophobicContact CG2-CG 4.48Å; T813-Y885 HydrophobicContact CG2-CD1 4.28Å; T813-Y885 WeakPolarHBondContact OG1-CD1 3.3Å; T813-Y885 VanDerWaalsContact OG1-CE1 3.24Å; T813-Y885 WeakPolarHBondContact OG1-CE1 3.21Å |
| 814 | Q | 83.1 | Confident | 80.3 | Confident | 53 Ų | 53 | 58.9 Ų | 58.9 | 25% | 0.248 | 31% | 0.308 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.9 | 133.5 | 173.9 | -56.1 | -172.9 | -65.7 | 0 | 0 | 109.7 | I806 H807 Y816 N857 | I806-Q814 CarbonylContact C-O 3.55Å; I806-Q814 WeakPolarHBondContact CA-O 3.29Å; H807-Q814 HydrophobicContact CB-CB 4.47Å; H807-Q814 PolarHBondContact N-O 3.32Å; H807-Q814 PolarHBondContact O-N 3.44Å; Q814-Y816 HydrophobicContact CB-CE2 3.61Å; Q814-Y816 PolarHBondContact OE1-OH 3.24Å; Q814-Y816 VanDerWaalsContact OE1-OH 3.1Å; Q814-N857 PolarHBondContact NE2-ND2 3.38Å |
| 815 | K | 85.8 | Confident | 79.8 | Confident | 118 Ų | 118 | 60.8 Ų | 60.8 | 51% | 0.513 | 32% | 0.322 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -112 | 131.1 | 179.8 | -60.8 | -171.6 | 177.4 | -172.4 | 0 | 109.9 | L805 I806 T813 Y885 | L805-K815 CarbonylContact O-C 3.54Å; L805-K815 WeakPolarHBondContact O-CA 3.44Å; I806-K815 HydrophobicContact CG1-CG 4.33Å; T813-K815 HydrophobicContact CG2-CG 4.48Å; K815-Y885 PolarHBondContact NZ-O 3.1Å |
| 816 | Y | 86.2 | Confident | 79.1 | Confident | 47 Ų | 47 | 62.7 Ų | 62.7 | 18% | 0.184 | 33% | 0.334 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.6 | 118.5 | 178.7 | -57.7 | -96.6 | 0 | 0 | 0 | 108.7 | Q804 L805 H807 Q814 V854 K855 | Q804-Y816 CarbonylContact C-O 3.49Å; Q804-Y816 WeakPolarHBondContact CA-O 3.46Å; L805-Y816 PolarHBondContact N-O 2.94Å; L805-Y816 PolarHBondContact O-N 2.72Å; H807-Y816 HydrophobicContact CB-CE2 4.22Å; Q814-Y816 HydrophobicContact CB-CE2 3.61Å; Q814-Y816 PolarHBondContact OE1-OH 3.24Å; Q814-Y816 VanDerWaalsContact OE1-OH 3.1Å; Y816-V854 HydrophobicContact CD1-CB 4.44Å; Y816-V854 HydrophobicContact CD1-CG1 4.03Å; Y816-V854 HydrophobicContact CD1-CG2 4.1Å; Y816-V854 HydrophobicContact CD2-CG1 3.65Å; Y816-V854 HydrophobicContact CD2-CG2 4.3Å; Y816-V854 HydrophobicContact CE1-CG1 3.87Å; Y816-V854 HydrophobicContact CE2-CG1 3.49Å; Y816-V854 VanDerWaalsContact CE2-CG1 3.49Å; Y816-V854 HydrophobicContact CG-CB 4.46Å; Y816-V854 HydrophobicContact CG-CG1 3.92Å; Y816-V854 HydrophobicContact CG-CG2 3.88Å; Y816-K855 PolarHBondContact OH-O 2.82Å |
| 817 | S | 85.5 | Confident | 78.6 | Confident | 91 Ų | 91 | 67.4 Ų | 67.4 | 64% | 0.636 | 35% | 0.352 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -73.9 | 129.6 | 173.1 | -58.8 | 0 | 0 | 0 | 0 | 110.2 | ||
| 818 | I | 82.8 | Confident | 78.5 | Confident | 7 Ų | 7 | 71.7 Ų | 71.7 | 4% | 0.036 | 37% | 0.372 | C | S | . | . | S | Bend | trans | -101.2 | 135.7 | 179.6 | -59.8 | 157.3 | 0 | 0 | 0 | 108.8 | L796 L803 L805 G820 I845 V847 | L796-I818 HydrophobicContact CD1-CD1 3.31Å; L803-I818 HydrophobicContact CB-CB 4.04Å; L803-I818 HydrophobicContact CB-CD1 4.41Å; L803-I818 PolarHBondContact O-N 3.42Å; L805-I818 HydrophobicContact CB-CD1 4.04Å; I818-G820 VanDerWaalsContact C-N 3.27Å; I818-G820 PolarHBondContact O-N 3.02Å; I818-I845 HydrophobicContact CD1-CD1 3.95Å; I818-I845 HydrophobicContact CD1-CG2 3.95Å; I818-I845 HydrophobicContact CG1-CG2 4.48Å; I818-I845 HydrophobicContact CG2-CG2 4.33Å; I818-V847 HydrophobicContact CG2-CB 4.48Å; I818-V847 HydrophobicContact CG2-CG2 3.61Å |
| 819 | G | 74.8 | Confident | 78.8 | Confident | 17 Ų | 17 | 73.9 Ų | 73.9 | 18% | 0.175 | 38% | 0.379 | C | S | . | . | S | Bend | trans | 72.3 | 13.4 | 179.2 | 0 | 0 | 0 | 0 | 0 | 115.6 | N821 Q822 Q850 | G819-N821 PolarHBondContact O-N 3.06Å; G819-Q822 PolarHBondContact O-N 2.78Å; G819-Q850 VanDerWaalsContact CA-OE1 3.24Å |
| 820 | G | 70.6 | Confident | 79.1 | Confident | 51 Ų | 51 | 74.7 Ų | 74.7 | 53% | 0.526 | 38% | 0.382 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 64.1 | -115.3 | 177.1 | 0 | 0 | 0 | 0 | 0 | 113 | I818 | I818-G820 VanDerWaalsContact C-N 3.27Å; I818-G820 PolarHBondContact O-N 3.02Å |
| 821 | N | 66.9 | Low | 79.8 | Confident | 140 Ų | 140 | 72 Ų | 72 | 75% | 0.749 | 37% | 0.366 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -96.3 | 1 | -178.8 | -90.1 | -17.6 | 0 | 0 | 0 | 114.2 | G819 | G819-N821 PolarHBondContact O-N 3.06Š|
| 822 | Q | 72.8 | Confident | 80.8 | Confident | 119 Ų | 119 | 67.6 Ų | 67.6 | 56% | 0.556 | 34% | 0.342 | S | S | * | . | P | Polyproline II helix | trans | -68 | 134.5 | -179.9 | -68 | -172.1 | -12.7 | 0 | 0 | 110.9 | G819 Q850 | G819-Q822 PolarHBondContact O-N 2.78Å; Q822-Q850 VanDerWaalsContact OE1-CD 3.26Å; Q822-Q850 VanDerWaalsContact OE1-NE2 3.08Å; Q822-Q850 VanDerWaalsContact OE1-OE1 3.08Å |
| 823 | R | 80.4 | Confident | 81.5 | Confident | 164 Ų | 164 | 63.4 Ų | 63.4 | 62% | 0.619 | 32% | 0.322 | S | S | * | . | P | Polyproline II helix | trans | -100.3 | 126.5 | 173.4 | -66.6 | -175.3 | -177.3 | -175.5 | -1.8 | 108.8 | G801 V825 | G801-R823 CarbonylContact O-C 3.53Å; G801-R823 VanDerWaalsContact O-CA 3.27Å; G801-R823 WeakPolarHBondContact O-CA 3.18Å; R823-V825 PolarHBondContact O-N 3.13Å |
| 824 | V | 77.8 | Confident | 82.1 | Confident | 9 Ų | 9 | 61.4 Ų | 61.4 | 6% | 0.055 | 31% | 0.31 | C | S | . | . | P | Polyproline II helix | trans | -60.8 | 127.2 | 164.7 | 176.9 | 0 | 0 | 0 | 0 | 108.3 | W777 Y780 G801 L803 Y830 | W777-V824 HydrophobicContact CD2-CG1 4.04Å; W777-V824 HydrophobicContact CE3-CG1 3.33Å; W777-V824 HydrophobicContact CH2-CG1 4.06Å; W777-V824 HydrophobicContact CH2-CG2 4.47Å; W777-V824 HydrophobicContact CZ3-CG1 3.33Å; W777-V824 HydrophobicContact CZ3-CG2 4.42Å; Y780-V824 PolarHBondContact OH-O 3.49Å; G801-V824 WeakPolarHBondContact O-CB 3.48Å; G801-V824 PolarHBondContact O-N 3.43Å; L803-V824 HydrophobicContact CD1-CG2 3.59Å; L803-V824 HydrophobicContact CD2-CG2 4.34Å; L803-V824 HydrophobicContact CG-CG2 3.64Å; V824-Y830 HydrophobicContact CB-CE2 4.44Å; V824-Y830 HydrophobicContact CG1-CD2 3.81Å; V824-Y830 HydrophobicContact CG1-CE1 4.38Å; V824-Y830 HydrophobicContact CG1-CE2 3.54Å; V824-Y830 HydrophobicContact CG1-CG 4.39Å; V824-Y830 HydrophobicContact CG2-CE1 4.38Å |
| 825 | V | 77 | Confident | 82.4 | Confident | 70 Ų | 70 | 60.2 Ų | 60.2 | 42% | 0.424 | 31% | 0.305 | S | S | . | . | P | Polyproline II helix | trans | -84 | 128.9 | 175.6 | -176.8 | 0 | 0 | 0 | 0 | 108.4 | R823 R827 E828 Y830 | R823-V825 PolarHBondContact O-N 3.13Å; V825-R827 PolarHBondContact O-N 3.42Å; V825-E828 HydrophobicContact CB-CB 4.46Å; V825-E828 HydrophobicContact CB-CG 4.22Å; V825-E828 WeakPolarHBondContact CB-OE2 3.22Å; V825-E828 HydrophobicContact CG1-CG 4.21Å; V825-E828 PolarHBondContact O-N 3.35Å; V825-Y830 PolarHBondContact N-OH 2.85Å |
| 826 | V | 74.2 | Confident | 82.5 | Confident | 44 Ų | 44 | 54.8 Ų | 54.8 | 27% | 0.267 | 28% | 0.282 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -60.8 | 138.4 | 173 | -168.7 | 0 | 0 | 0 | 0 | 108.2 | W777 K778 Y780 | W777-V826 WeakPolarHBondContact O-CG1 3.27Å; K778-V826 WeakPolarHBondContact O-CG1 3.25Å; Y780-V826 HydrophobicContact CD1-CG2 4.46Å; Y780-V826 HydrophobicContact CE1-CG2 3.59Å; Y780-V826 HydrophobicContact CE2-CG2 4.07Å; Y780-V826 VanDerWaalsContact OH-CG2 3.24Å; Y780-V826 WeakPolarHBondContact OH-CG2 3.41Å |
| 827 | R | 76 | Confident | 82.3 | Confident | 99 Ų | 99 | 57.9 Ų | 57.9 | 37% | 0.374 | 30% | 0.298 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 72.1 | 17.8 | 179.4 | -38.6 | -170.6 | -178.8 | -166 | -10.4 | 116.1 | K776 W777 V825 S949 D950 | K776-R827 WeakPolarHBondContact CE-O 3.19Å; W777-R827 PolarHBondContact O-N 3.18Å; V825-R827 PolarHBondContact O-N 3.42Å; R827-S949 PolarHBondContact NH1-O 3.39Å; R827-D950 WeakPolarHBondContact CB-OD1 3.38Å; R827-D950 WeakPolarHBondContact CD-OD1 3.19Å; R827-D950 IonicContact NH1-OD1 3.38Å |
| 828 | E | 83.8 | Confident | 81.6 | Confident | 94 Ų | 94 | 58.3 Ų | 58.3 | 44% | 0.439 | 29% | 0.29 | S | S | . | . | S | Bend | trans | -108.2 | 152 | 164 | -74 | -179.2 | 175.2 | 0 | 0 | 110.5 | K776 V825 Y830 | K776-E828 WeakPolarHBondContact CA-O 3.42Å; V825-E828 HydrophobicContact CB-CB 4.46Å; V825-E828 HydrophobicContact CB-CG 4.22Å; V825-E828 WeakPolarHBondContact CB-OE2 3.22Å; V825-E828 HydrophobicContact CG1-CG 4.21Å; V825-E828 PolarHBondContact O-N 3.35Å; E828-Y830 HydrophobicContact CB-CD2 4.42Å; E828-Y830 HydrophobicContact CB-CE2 3.68Å; E828-Y830 WeakPolarHBondContact O-CD2 3.32Å; E828-Y830 PolarHBondContact OE2-OH 3.01Å; E828-Y830 VanDerWaalsContact OE2-OH 3.07Å |
| 829 | W | 88.2 | Confident | 80.8 | Confident | 53 Ų | 53 | 64.8 Ų | 64.8 | 20% | 0.201 | 32% | 0.324 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -82.3 | 129.7 | 174.9 | -74.4 | 108.3 | 0 | 0 | 0 | 111 | H745 P748 W774 I775 K776 C895 A897 C946 | H745-W829 HydrophobicContact CB-CH2 4.3Å; H745-W829 HydrophobicContact CB-CZ2 4.03Å; H745-W829 AromaticContact CD2-CD1 3.33Å; H745-W829 AromaticContact CD2-CD2 3.75Å; H745-W829 AromaticContact CD2-CE2 3.5Å; H745-W829 AromaticContact CD2-CG 3.66Å; H745-W829 AromaticContact CD2-NE1 3.22Å; H745-W829 PolarHBondContact CD2-NE1 3.39Å; H745-W829 AromaticContact CE1-CD1 3.96Å; H745-W829 AromaticContact CE1-CD2 3.99Å; H745-W829 AromaticContact CE1-CG 3.63Å; H745-W829 AromaticContact CG-CD2 3.85Å; H745-W829 AromaticContact CG-CE2 3.75Å; H745-W829 AromaticContact CG-NE1 3.96Å; H745-W829 AromaticContact NE2-CD1 3.14Å; H745-W829 AromaticContact NE2-CD2 3.82Å; H745-W829 AromaticContact NE2-CG 3.28Å; H745-W829 VanDerWaalsContact NE2-CG 3.28Å; H745-W829 AromaticContact NE2-NE1 3.6Å; P748-W829 HydrophobicContact CB-CH2 4.41Å; W774-W829 HydrophobicContact CB-CE3 3.75Å; W774-W829 HydrophobicContact CB-CZ3 3.98Å; W774-W829 HydrophobicContact CE3-CB 3.96Å; W774-W829 HydrophobicContact CZ3-CB 4.33Å; I775-W829 CarbonylContact O-C 3.53Å; I775-W829 WeakPolarHBondContact O-CA 3.36Å; K776-W829 HydrophobicContact CB-CD2 3.75Å; K776-W829 HydrophobicContact CB-CE3 3.75Å; K776-W829 HydrophobicContact CB-CG 4.33Å; K776-W829 HydrophobicContact CB-CH2 4.22Å; K776-W829 HydrophobicContact CB-CZ2 4.2Å; K776-W829 HydrophobicContact CB-CZ3 3.99Å; K776-W829 HydrophobicContact CD-CD2 4.4Å; K776-W829 HydrophobicContact CD-CZ2 4.32Å; K776-W829 HydrophobicContact CG-CD2 4.43Å; W829-C895 HydrophobicContact CH2-CB 3.56Å; W829-C895 HydrophobicContact CZ2-CB 4.16Å; W829-C895 HydrophobicContact CZ3-CB 4.19Å; W829-A897 HydrophobicContact CH2-CB 3.66Å; W829-A897 HydrophobicContact CZ3-CB 3.73Å; W829-C946 HydrophobicContact CZ2-CB 4.23Å |
| 830 | Y | 89.9 | Confident | 80.8 | Confident | 27 Ų | 27 | 65.9 Ų | 65.9 | 11% | 0.106 | 33% | 0.327 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.8 | 135.8 | 173.5 | -67.5 | -103.6 | 0 | 0 | 0 | 109.5 | W774 I775 W777 V824 V825 E828 V847 N848 | W774-Y830 CarbonylContact C-O 3.53Å; W774-Y830 WeakPolarHBondContact CA-O 3.42Å; I775-Y830 WeakPolarHBondContact CG2-O 3.45Å; I775-Y830 PolarHBondContact N-O 3.23Å; I775-Y830 PolarHBondContact O-N 2.84Å; W777-Y830 HydrophobicContact CE3-CD2 4.15Å; W777-Y830 AromaticContact CZ3-CD2 3.67Å; W777-Y830 HydrophobicContact CZ3-CD2 3.67Å; W777-Y830 AromaticContact CZ3-CG 3.91Å; W777-Y830 HydrophobicContact CZ3-CG 3.91Å; V824-Y830 HydrophobicContact CB-CE2 4.44Å; V824-Y830 HydrophobicContact CG1-CD2 3.81Å; V824-Y830 HydrophobicContact CG1-CE1 4.38Å; V824-Y830 HydrophobicContact CG1-CE2 3.54Å; V824-Y830 HydrophobicContact CG1-CG 4.39Å; V824-Y830 HydrophobicContact CG2-CE1 4.38Å; V825-Y830 PolarHBondContact N-OH 2.85Å; E828-Y830 HydrophobicContact CB-CD2 4.42Å; E828-Y830 HydrophobicContact CB-CE2 3.68Å; E828-Y830 WeakPolarHBondContact O-CD2 3.32Å; E828-Y830 PolarHBondContact OE2-OH 3.01Å; E828-Y830 VanDerWaalsContact OE2-OH 3.07Å; Y830-V847 HydrophobicContact CD1-CG1 4.19Å; Y830-N848 WeakPolarHBondContact CA-OD1 3.44Å; Y830-N848 WeakPolarHBondContact CD1-ND2 3.3Å |
| 831 | H | 91.7 | Very high | 81.1 | Confident | 42 Ų | 42 | 67.3 Ų | 67.3 | 19% | 0.194 | 32% | 0.319 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -87 | 126.8 | 172.2 | -173.5 | -127.1 | 0 | 0 | 0 | 109.6 | W774 E833 V847 N848 | W774-H831 AromaticContact CD1-CD2 3.95Å; W774-H831 HydrophobicContact CD2-CB 4.02Å; W774-H831 AromaticContact CE2-CD2 3.8Å; W774-H831 HydrophobicContact CE3-CB 3.95Å; W774-H831 HydrophobicContact CH2-CB 3.93Å; W774-H831 HydrophobicContact CZ2-CB 3.96Å; W774-H831 HydrophobicContact CZ3-CB 3.92Å; W774-H831 AromaticContact NE1-CD2 3.64Å; H831-E833 VanDerWaalsContact CE1-CD 3.45Å; H831-E833 WeakPolarHBondContact CE1-CG 3.18Å; H831-E833 IonicContact CE1-OE1 3.76Å; H831-E833 PolarHBondContact CE1-OE1 3.1Å; H831-V847 CarbonylContact O-C 3.55Å; H831-V847 VanDerWaalsContact O-CA 3.28Å; H831-V847 WeakPolarHBondContact O-CA 3.27Å; H831-N848 PolarHBondContact N-OD1 2.88Å; H831-N848 PolarHBondContact O-N 3.35Å |
| 832 | I | 91.6 | Very high | 81.8 | Confident | 4 Ų | 4 | 64.1 Ų | 64.1 | 2% | 0.021 | 30% | 0.302 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.4 | 125.5 | 178.3 | -59.1 | -175 | 0 | 0 | 0 | 108.7 | G772 M773 I775 W777 L796 R846 | G772-I832 CarbonylContact C-O 3.57Å; G772-I832 VanDerWaalsContact CA-O 3.31Å; G772-I832 WeakPolarHBondContact CA-O 3.31Å; M773-I832 HydrophobicContact CG-CB 4.41Å; M773-I832 PolarHBondContact N-O 3.42Å; M773-I832 PolarHBondContact O-N 3.5Å; I775-I832 HydrophobicContact CG2-CD1 3.46Å; I775-I832 VanDerWaalsContact CG2-CD1 3.46Å; I775-I832 HydrophobicContact CG2-CG1 3.84Å; W777-I832 HydrophobicContact CH2-CD1 3.88Å; W777-I832 HydrophobicContact CZ2-CD1 4.28Å; L796-I832 HydrophobicContact CD2-CD1 3.84Å; L796-I832 HydrophobicContact CD2-CG2 3.84Å; I832-R846 CarbonylContact C-O 3.55Å; I832-R846 WeakPolarHBondContact CA-O 3.48Å |
| 833 | E | 91.7 | Very high | 82.5 | Confident | 37 Ų | 37 | 58.5 Ų | 58.5 | 17% | 0.173 | 28% | 0.275 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.8 | 136.7 | 169.5 | -55.8 | 177.4 | 142.8 | 0 | 0 | 111.1 | L771 H831 I845 R846 | L771-E833 CarbonylContact O-C 3.54Å; L771-E833 WeakPolarHBondContact O-CA 3.37Å; H831-E833 VanDerWaalsContact CE1-CD 3.45Å; H831-E833 WeakPolarHBondContact CE1-CG 3.18Å; H831-E833 IonicContact CE1-OE1 3.76Å; H831-E833 PolarHBondContact CE1-OE1 3.1Å; E833-I845 CarbonylContact O-C 3.53Å; E833-I845 WeakPolarHBondContact O-CA 3.4Å; E833-R846 HydrophobicContact CB-CB 4.12Å; E833-R846 PolarHBondContact N-O 3Å; E833-R846 PolarHBondContact O-N 3.32Å; E833-R846 WeakPolarHBondContact OE2-CD 3.32Å; E833-R846 IonicContact OE2-CZ 3.87Å; E833-R846 IonicContact OE2-NE 2.84Å; E833-R846 IonicContact OE2-NH1 3.74Å; E833-R846 PolarHBondContact OE2-NH1 3.08Å |
| 834 | V | 92.3 | Very high | 82.9 | Confident | 4 Ų | 4 | 52 Ų | 52 | 2% | 0.024 | 25% | 0.253 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.6 | 117 | 171.8 | -175.1 | 0 | 0 | 0 | 0 | 108.2 | F769 V770 L771 L784 L786 M843 I845 | F769-V834 HydrophobicContact CE2-CG1 4.08Å; V770-V834 WeakPolarHBondContact CA-O 3.48Å; L771-V834 HydrophobicContact CB-CB 4.3Å; L771-V834 PolarHBondContact N-O 2.9Å; L771-V834 PolarHBondContact O-N 2.77Å; L784-V834 HydrophobicContact CD2-CG2 4.08Å; L786-V834 HydrophobicContact CD1-CG1 4Å; V834-M843 HydrophobicContact CG1-CG 3.86Å; V834-M843 HydrophobicContact CG1-SD 3.61Å; V834-I845 HydrophobicContact CG1-CG1 4.47Å; V834-I845 HydrophobicContact CG2-CG1 4.42Å |
| 835 | I | 90.5 | Very high | 83.5 | Confident | 27 Ų | 27 | 51.6 Ų | 51.6 | 14% | 0.138 | 25% | 0.25 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.6 | 125.4 | -174.8 | -59.2 | 166.1 | 0 | 0 | 0 | 109 | F769 V770 Q837 L844 | F769-I835 WeakPolarHBondContact O-CA 3.34Å; V770-I835 HydrophobicContact CB-CG1 4.48Å; V770-I835 HydrophobicContact CG1-CG1 4.02Å; V770-I835 HydrophobicContact CG2-CG1 4.17Å; V770-I835 HydrophobicContact CG2-CG2 4.17Å; I835-Q837 HydrophobicContact CG2-CG 4.48Å; I835-L844 HydrophobicContact CB-CB 4.17Å; I835-L844 HydrophobicContact CD1-CD2 4.05Å; I835-L844 PolarHBondContact N-O 2.94Å; I835-L844 PolarHBondContact O-N 2.91Å |
| 836 | K | 87.8 | Confident | 84.1 | Confident | 4 Ų | 4 | 52.4 Ų | 52.4 | 2% | 0.017 | 25% | 0.246 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.2 | 129.6 | 173.6 | 179.8 | 64.5 | -179.9 | 61.3 | 0 | 109.2 | S767 E768 F769 T840 | S767-K836 VanDerWaalsContact O-CG 3.3Å; S767-K836 WeakPolarHBondContact O-CG 3.44Å; E768-K836 CarbonylContact C-O 3.57Å; E768-K836 WeakPolarHBondContact CA-O 3.22Å; F769-K836 HydrophobicContact CD1-CB 3.98Å; F769-K836 HydrophobicContact CD1-CG 4.48Å; F769-K836 HydrophobicContact CE1-CB 3.63Å; F769-K836 HydrophobicContact CE1-CG 4Å; F769-K836 HydrophobicContact CE2-CB 4.2Å; F769-K836 HydrophobicContact CG-CB 4.4Å; F769-K836 HydrophobicContact CZ-CB 3.75Å; F769-K836 HydrophobicContact CZ-CG 4.44Å; F769-K836 PolarHBondContact N-O 3.48Å; F769-K836 PolarHBondContact O-N 2.88Å; K836-T840 WeakPolarHBondContact CE-O 3.19Å; K836-T840 PolarHBondContact NZ-O 2.87Å |
| 837 | Q | 82.2 | Confident | 84.8 | Confident | 113 Ų | 113 | 51 Ų | 51 | 53% | 0.528 | 24% | 0.237 | S | C | . | . | trans | -113.8 | 152.7 | 179.1 | -67.2 | -180 | -29.9 | 0 | 0 | 111.5 | I835 T840 | I835-Q837 HydrophobicContact CG2-CG 4.48Å; Q837-T840 HydrophobicContact CB-CG2 4.15Å; Q837-T840 PolarHBondContact O-N 3.49Å; Q837-T840 PolarHBondContact O-OG1 3.33Å | ||
| 838 | E | 70.3 | Confident | 85.4 | Confident | 100 Ų | 100 | 49.1 Ų | 49.1 | 47% | 0.467 | 23% | 0.234 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -61.2 | 142.3 | -178.2 | -145.3 | 178.9 | 147.6 | 0 | 0 | 108.5 | E768 T840 | E768-E838 HydrophobicContact CG-CB 3.51Å; E768-E838 HydrophobicContact CG-CG 4.08Å; E768-E838 VanDerWaalsContact CG-N 3.32Å; E768-E838 WeakPolarHBondContact OE1-CB 3.36Å; E768-E838 PolarHBondContact OE1-N 2.86Å; E838-T840 PolarHBondContact O-N 2.77Å |
| 839 | L | 67.2 | Low | 85.3 | Confident | 142 Ų | 142 | 52.3 Ų | 52.3 | 74% | 0.743 | 26% | 0.255 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 66.9 | -5.5 | 175.5 | -48.7 | 168 | 0 | 0 | 0 | 116.2 | ||
| 840 | T | 73.3 | Confident | 85.2 | Confident | 41 Ų | 41 | 53.2 Ų | 53.2 | 25% | 0.252 | 26% | 0.261 | S | S | . | . | trans | -88.3 | 133.6 | 175 | 67.3 | 0 | 0 | 0 | 0 | 111.6 | K836 Q837 E838 L842 | K836-T840 WeakPolarHBondContact CE-O 3.19Å; K836-T840 PolarHBondContact NZ-O 2.87Å; Q837-T840 HydrophobicContact CB-CG2 4.15Å; Q837-T840 PolarHBondContact O-N 3.49Å; Q837-T840 PolarHBondContact O-OG1 3.33Å; E838-T840 PolarHBondContact O-N 2.77Å; T840-L842 PolarHBondContact O-N 2.78Å; T840-L842 VanDerWaalsContact O-N 3.17Å; T840-L842 PolarHBondContact OG1-O 3.01Å | ||
| 841 | K | 76.8 | Confident | 85 | Confident | 81 Ų | 81 | 54.6 Ų | 54.6 | 35% | 0.352 | 27% | 0.274 | S | S | . | . | S | Bend | trans | -74.6 | 14.9 | 164.2 | -70.5 | -174.1 | 173.1 | -167.1 | 0 | 112.1 | K855 M856 N860 | K841-K855 CarbonylContact O-C 3.58Å; K841-K855 WeakPolarHBondContact O-CA 3.06Å; K841-M856 HydrophobicContact CB-CB 4.37Å; K841-M856 PolarHBondContact O-N 2.83Å; K841-N860 WeakPolarHBondContact CD-OD1 3.39Å; K841-N860 WeakPolarHBondContact CE-OD1 3.26Å; K841-N860 WeakPolarHBondContact CG-OD1 3.45Å |
| 842 | L | 82.4 | Confident | 84.8 | Confident | 73 Ų | 73 | 54 Ų | 54 | 38% | 0.382 | 27% | 0.274 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.9 | 128.8 | -172 | -63.7 | 175.1 | 0 | 0 | 0 | 109.3 | T840 V854 K855 | T840-L842 PolarHBondContact O-N 2.78Å; T840-L842 VanDerWaalsContact O-N 3.17Å; T840-L842 PolarHBondContact OG1-O 3.01Å; L842-V854 CarbonylContact C-O 3.57Å; L842-V854 WeakPolarHBondContact CA-O 3.46Å; L842-K855 HydrophobicContact CD2-CB 3.92Å; L842-K855 HydrophobicContact CD2-CG 4.17Å |
| 843 | M | 87.1 | Confident | 84.5 | Confident | 0 Ų | 0 | 60.3 Ų | 60.3 | 0% | 0 | 30% | 0.302 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.8 | 128.7 | 162.5 | -177.7 | -179.6 | -69.6 | 0 | 0 | 107.5 | F769 F794 L805 V834 V854 | F769-M843 HydrophobicContact CZ-CE 4.37Å; F794-M843 HydrophobicContact CB-CE 4.43Å; F794-M843 HydrophobicContact CB-SD 4.49Å; F794-M843 HydrophobicContact CD1-CE 3.79Å; F794-M843 HydrophobicContact CD1-SD 3.79Å; F794-M843 HydrophobicContact CD2-CE 3.43Å; F794-M843 VanDerWaalsContact CD2-CE 3.43Å; F794-M843 HydrophobicContact CD2-SD 4.41Å; F794-M843 HydrophobicContact CE1-CE 3.75Å; F794-M843 HydrophobicContact CE1-SD 4.02Å; F794-M843 HydrophobicContact CE2-CE 3.4Å; F794-M843 HydrophobicContact CG-CE 3.62Å; F794-M843 HydrophobicContact CG-SD 3.98Å; F794-M843 HydrophobicContact CZ-CE 3.56Å; F794-M843 HydrophobicContact CZ-SD 4.43Å; L805-M843 HydrophobicContact CD2-SD 4.29Å; V834-M843 HydrophobicContact CG1-CG 3.86Å; V834-M843 HydrophobicContact CG1-SD 3.61Å; M843-V854 HydrophobicContact CB-CB 4.39Å; M843-V854 PolarHBondContact N-O 2.97Å; M843-V854 PolarHBondContact O-N 2.84Å |
| 844 | L | 89 | Confident | 84.1 | Confident | 28 Ų | 28 | 58.6 Ų | 58.6 | 15% | 0.147 | 29% | 0.293 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -101 | 124 | 178.2 | 175.6 | 65 | 0 | 0 | 0 | 108.7 | I835 F853 | I835-L844 HydrophobicContact CB-CB 4.17Å; I835-L844 HydrophobicContact CD1-CD2 4.05Å; I835-L844 PolarHBondContact N-O 2.94Å; I835-L844 PolarHBondContact O-N 2.91Å; L844-F853 HydrophobicContact CB-CD1 4.47Å; L844-F853 HydrophobicContact CB-CE1 4.47Å; L844-F853 HydrophobicContact CD1-CD1 3.83Å; L844-F853 HydrophobicContact CD1-CD2 4.25Å; L844-F853 HydrophobicContact CD1-CE1 3.66Å; L844-F853 HydrophobicContact CD1-CE2 4.09Å; L844-F853 HydrophobicContact CD1-CG 4.13Å; L844-F853 HydrophobicContact CD1-CZ 3.8Å; L844-F853 HydrophobicContact CD2-CE1 4.43Å; L844-F853 HydrophobicContact CG-CE1 4.42Å |
| 845 | I | 90.5 | Very high | 83.5 | Confident | 0 Ų | 0 | 64.7 Ų | 64.7 | 0% | 0 | 32% | 0.32 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.6 | 122.1 | 173 | -59.8 | -177 | 0 | 0 | 0 | 108.5 | L805 I818 E833 V834 V847 S851 T852 | L805-I845 HydrophobicContact CB-CD1 3.91Å; L805-I845 HydrophobicContact CD1-CD1 3.49Å; L805-I845 VanDerWaalsContact CD1-CD1 3.49Å; L805-I845 HydrophobicContact CD2-CD1 3.42Å; L805-I845 VanDerWaalsContact CD2-CD1 3.42Å; L805-I845 HydrophobicContact CG-CD1 3.77Å; I818-I845 HydrophobicContact CD1-CD1 3.95Å; I818-I845 HydrophobicContact CD1-CG2 3.95Å; I818-I845 HydrophobicContact CG1-CG2 4.48Å; I818-I845 HydrophobicContact CG2-CG2 4.33Å; E833-I845 CarbonylContact O-C 3.53Å; E833-I845 WeakPolarHBondContact O-CA 3.4Å; V834-I845 HydrophobicContact CG1-CG1 4.47Å; V834-I845 HydrophobicContact CG2-CG1 4.42Å; I845-V847 HydrophobicContact CG2-CG2 4.33Å; I845-S851 CarbonylContact O-C 3.38Å; I845-S851 WeakPolarHBondContact O-CA 3.47Å; I845-T852 PolarHBondContact N-O 2.86Å; I845-T852 PolarHBondContact O-N 3.47Å |
| 846 | R | 90 | Very high | 82.8 | Confident | 88 Ų | 88 | 63.5 Ų | 63.5 | 33% | 0.332 | 31% | 0.313 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.3 | 132 | 173.3 | -167.2 | 179.3 | -68 | 152.5 | -8.5 | 109.6 | I832 E833 N848 Q850 S851 | I832-R846 CarbonylContact C-O 3.55Å; I832-R846 WeakPolarHBondContact CA-O 3.48Å; E833-R846 HydrophobicContact CB-CB 4.12Å; E833-R846 PolarHBondContact N-O 3Å; E833-R846 PolarHBondContact O-N 3.32Å; E833-R846 WeakPolarHBondContact OE2-CD 3.32Å; E833-R846 IonicContact OE2-CZ 3.87Å; E833-R846 IonicContact OE2-NE 2.84Å; E833-R846 IonicContact OE2-NH1 3.74Å; E833-R846 PolarHBondContact OE2-NH1 3.08Å; R846-N848 WeakPolarHBondContact CG-O 3.45Å; R846-Q850 CarbonylContact C-O 3.56Å; R846-Q850 WeakPolarHBondContact CA-O 3.44Å; R846-Q850 WeakPolarHBondContact CG-O 3.26Å; R846-S851 PolarHBondContact NE-OG 3.04Å |
| 847 | V | 89.1 | Confident | 81.8 | Confident | 14 Ų | 14 | 67.9 Ų | 67.9 | 9% | 0.085 | 34% | 0.337 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.6 | 115.2 | 169.7 | -177.9 | 0 | 0 | 0 | 0 | 107.3 | L803 I818 Y830 H831 I845 N849 Q850 | L803-V847 HydrophobicContact CD1-CG1 3.94Å; L803-V847 HydrophobicContact CD1-CG2 3.88Å; I818-V847 HydrophobicContact CG2-CB 4.48Å; I818-V847 HydrophobicContact CG2-CG2 3.61Å; Y830-V847 HydrophobicContact CD1-CG1 4.19Å; H831-V847 CarbonylContact O-C 3.55Å; H831-V847 VanDerWaalsContact O-CA 3.28Å; H831-V847 WeakPolarHBondContact O-CA 3.27Å; I845-V847 HydrophobicContact CG2-CG2 4.33Å; V847-N849 PolarHBondContact O-N 2.92Å; V847-Q850 PolarHBondContact N-O 3.42Å; V847-Q850 PolarHBondContact O-N 3.07Å |
| 848 | N | 88.1 | Confident | 80.8 | Confident | 59 Ų | 59 | 67.4 Ų | 67.4 | 32% | 0.316 | 34% | 0.337 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 50.1 | -109.4 | -167.4 | -61.6 | -18.8 | 0 | 0 | 0 | 110.4 | Y830 H831 R846 | Y830-N848 WeakPolarHBondContact CA-OD1 3.44Å; Y830-N848 WeakPolarHBondContact CD1-ND2 3.3Å; H831-N848 PolarHBondContact N-OD1 2.88Å; H831-N848 PolarHBondContact O-N 3.35Å; R846-N848 WeakPolarHBondContact CG-O 3.45Å |
| 849 | N | 82.4 | Confident | 80.4 | Confident | 162 Ų | 162 | 64.2 Ų | 64.2 | 87% | 0.866 | 33% | 0.326 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -101.6 | -0 | -179.7 | -65.3 | -13.6 | 0 | 0 | 0 | 113.6 | V847 | V847-N849 PolarHBondContact O-N 2.92Š|
| 850 | Q | 85.7 | Confident | 80.2 | Confident | 71 Ų | 71 | 61.4 Ų | 61.4 | 33% | 0.332 | 31% | 0.311 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.7 | 136.1 | -177.4 | -65.8 | -169.1 | -15.2 | 0 | 0 | 111.5 | G819 Q822 R846 V847 | G819-Q850 VanDerWaalsContact CA-OE1 3.24Å; Q822-Q850 VanDerWaalsContact OE1-CD 3.26Å; Q822-Q850 VanDerWaalsContact OE1-NE2 3.08Å; Q822-Q850 VanDerWaalsContact OE1-OE1 3.08Å; R846-Q850 CarbonylContact C-O 3.56Å; R846-Q850 WeakPolarHBondContact CA-O 3.44Å; R846-Q850 WeakPolarHBondContact CG-O 3.26Å; V847-Q850 PolarHBondContact N-O 3.42Å; V847-Q850 PolarHBondContact O-N 3.07Å |
| 851 | S | 86.4 | Confident | 80.1 | Confident | 56 Ų | 56 | 65 Ų | 65 | 39% | 0.392 | 32% | 0.321 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.2 | 130 | -177.1 | -61.8 | 0 | 0 | 0 | 0 | 111.3 | I845 R846 | I845-S851 CarbonylContact O-C 3.38Å; I845-S851 WeakPolarHBondContact O-CA 3.47Å; R846-S851 PolarHBondContact NE-OG 3.04Å |
| 852 | T | 86.7 | Confident | 80.3 | Confident | 31 Ų | 31 | 61.1 Ų | 61.1 | 19% | 0.19 | 31% | 0.305 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.5 | 126.1 | 177 | -61.1 | 0 | 0 | 0 | 0 | 109.6 | I845 V854 | I845-T852 PolarHBondContact N-O 2.86Å; I845-T852 PolarHBondContact O-N 3.47Å; T852-V854 HydrophobicContact CG2-CG2 4.48Å |
| 853 | F | 85.7 | Confident | 80.4 | Confident | 136 Ų | 136 | 57.7 Ų | 57.7 | 60% | 0.596 | 29% | 0.286 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -91.4 | 128.2 | 174 | -65.7 | -88.7 | 0 | 0 | 0 | 110.6 | L844 | L844-F853 HydrophobicContact CB-CD1 4.47Å; L844-F853 HydrophobicContact CB-CE1 4.47Å; L844-F853 HydrophobicContact CD1-CD1 3.83Å; L844-F853 HydrophobicContact CD1-CD2 4.25Å; L844-F853 HydrophobicContact CD1-CE1 3.66Å; L844-F853 HydrophobicContact CD1-CE2 4.09Å; L844-F853 HydrophobicContact CD1-CG 4.13Å; L844-F853 HydrophobicContact CD1-CZ 3.8Å; L844-F853 HydrophobicContact CD2-CE1 4.43Å; L844-F853 HydrophobicContact CG-CE1 4.42Å |
| 854 | V | 82.9 | Confident | 80.4 | Confident | 0 Ų | 0 | 57.7 Ų | 57.7 | 0% | 0 | 29% | 0.286 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.4 | 116.5 | 177.7 | 174.8 | 0 | 0 | 0 | 0 | 109.1 | L805 Y816 L842 M843 T852 | L805-V854 HydrophobicContact CD2-CB 4.23Å; L805-V854 HydrophobicContact CD2-CG1 3.97Å; L805-V854 HydrophobicContact CD2-CG2 3.81Å; Y816-V854 HydrophobicContact CD1-CB 4.44Å; Y816-V854 HydrophobicContact CD1-CG1 4.03Å; Y816-V854 HydrophobicContact CD1-CG2 4.1Å; Y816-V854 HydrophobicContact CD2-CG1 3.65Å; Y816-V854 HydrophobicContact CD2-CG2 4.3Å; Y816-V854 HydrophobicContact CE1-CG1 3.87Å; Y816-V854 HydrophobicContact CE2-CG1 3.49Å; Y816-V854 VanDerWaalsContact CE2-CG1 3.49Å; Y816-V854 HydrophobicContact CG-CB 4.46Å; Y816-V854 HydrophobicContact CG-CG1 3.92Å; Y816-V854 HydrophobicContact CG-CG2 3.88Å; L842-V854 CarbonylContact C-O 3.57Å; L842-V854 WeakPolarHBondContact CA-O 3.46Å; M843-V854 HydrophobicContact CB-CB 4.39Å; M843-V854 PolarHBondContact N-O 2.97Å; M843-V854 PolarHBondContact O-N 2.84Å; T852-V854 HydrophobicContact CG2-CG2 4.48Å |
| 855 | K | 80.1 | Confident | 80.3 | Confident | 133 Ų | 133 | 60.8 Ų | 60.8 | 58% | 0.578 | 30% | 0.299 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -91.8 | 120.3 | -179.8 | -171.1 | 178.2 | 178.9 | 179.7 | 0 | 111.3 | Y816 K841 L842 | Y816-K855 PolarHBondContact OH-O 2.82Å; K841-K855 CarbonylContact O-C 3.58Å; K841-K855 WeakPolarHBondContact O-CA 3.06Å; L842-K855 HydrophobicContact CD2-CB 3.92Å; L842-K855 HydrophobicContact CD2-CG 4.17Å |
| 856 | M | 75 | Confident | 80.1 | Confident | 1 Ų | 1 | 61.5 Ų | 61.5 | 1% | 0.005 | 30% | 0.303 | C | S | . | . | trans | -78.5 | 125.9 | 176.8 | -63 | 169.5 | 11.9 | 0 | 0 | 110.4 | F794 K841 S859 F862 | F794-M856 HydrophobicContact CZ-CG 4.04Å; F794-M856 HydrophobicContact CZ-SD 3.96Å; K841-M856 HydrophobicContact CB-CB 4.37Å; K841-M856 PolarHBondContact O-N 2.83Å; M856-S859 WeakPolarHBondContact CE-O 3.32Å; M856-F862 HydrophobicContact CE-CB 4.43Å | ||
| 857 | N | 66.7 | Low | 80.1 | Confident | 96 Ų | 96 | 57.3 Ų | 57.3 | 51% | 0.513 | 29% | 0.287 | S | S | . | . | S | Bend | trans | -79.8 | -30.8 | -170.4 | -91.9 | 3.6 | 0 | 0 | 0 | 115.3 | Q814 | Q814-N857 PolarHBondContact NE2-ND2 3.38Š|
| 858 | I | 61.1 | Low | 80.1 | Confident | 103 Ų | 103 | 56.7 Ų | 56.7 | 53% | 0.528 | 28% | 0.284 | S | S | . | . | S | Bend | trans | -122.9 | -46.7 | -156.9 | -53 | 173.4 | 0 | 0 | 0 | 113.7 | Q812 | Q812-I858 VanDerWaalsContact OE1-CD1 3.3Š|
| 859 | S | 62.5 | Low | 80.1 | Confident | 33 Ų | 33 | 53.9 Ų | 53.9 | 23% | 0.231 | 27% | 0.269 | C | S | . | . | trans | -116.3 | 147.7 | 177.3 | 113.8 | 0 | 0 | 0 | 0 | 110.5 | M856 Y861 | M856-S859 WeakPolarHBondContact CE-O 3.32Å; S859-Y861 PolarHBondContact OG-N 2.6Å; S859-Y861 PolarHBondContact OG-O 3.31Å | ||
| 860 | N | 62.3 | Low | 80.3 | Confident | 83 Ų | 83 | 46.2 Ų | 46.2 | 44% | 0.444 | 23% | 0.227 | S | C | . | . | S | Bend | trans | -79.8 | -12.9 | 167.1 | -69.4 | -3.4 | 0 | 0 | 0 | 111.7 | K841 | K841-N860 WeakPolarHBondContact CD-OD1 3.39Å; K841-N860 WeakPolarHBondContact CE-OD1 3.26Å; K841-N860 WeakPolarHBondContact CG-OD1 3.45Å |
| 861 | Y | 71.5 | Confident | 80 | Confident | 117 Ų | 117 | 43.4 Ų | 43.4 | 46% | 0.459 | 22% | 0.216 | S | C | . | . | trans | -112.9 | 99.5 | -162.6 | -167.3 | -101.8 | 0 | 0 | 0 | 109.5 | Q792 S859 A863 | Q792-Y861 PolarHBondContact NE2-O 2.78Å; S859-Y861 PolarHBondContact OG-N 2.6Å; S859-Y861 PolarHBondContact OG-O 3.31Å; Y861-A863 HydrophobicContact CD1-CB 4.23Å; Y861-A863 HydrophobicContact CE1-CB 3.49Å; Y861-A863 VanDerWaalsContact CE1-CB 3.49Å; Y861-A863 HydrophobicContact CE2-CB 4.4Å | ||
| 862 | F | 81.5 | Confident | 79.3 | Confident | 0 Ų | 0 | 41.2 Ų | 41.2 | 0% | 0 | 20% | 0.2 | C | C | . | . | trans | -112.6 | 109.3 | 164.2 | 174.4 | -96.7 | 0 | 0 | 0 | 106 | S767 F769 L786 D788 Q792 F794 M856 L864 | S767-F862 WeakPolarHBondContact CA-O 3.39Å; F769-F862 AromaticContact CE1-CD1 3.99Å; F769-F862 HydrophobicContact CE1-CD1 3.99Å; F769-F862 AromaticContact CE1-CE1 3.85Å; F769-F862 HydrophobicContact CE1-CE1 3.85Å; F769-F862 HydrophobicContact CZ-CD1 4.35Å; F769-F862 AromaticContact CZ-CE1 3.95Å; F769-F862 HydrophobicContact CZ-CE1 3.95Å; L786-F862 HydrophobicContact CB-CE1 4.49Å; L786-F862 HydrophobicContact CB-CZ 4Å; D788-F862 HydrophobicContact CB-CD2 3.63Å; D788-F862 HydrophobicContact CB-CE2 3.6Å; D788-F862 HydrophobicContact CB-CG 4.36Å; D788-F862 HydrophobicContact CB-CZ 4.29Å; Q792-F862 HydrophobicContact CB-CD2 3.89Å; Q792-F862 HydrophobicContact CB-CE2 4.2Å; F794-F862 HydrophobicContact CD2-CD1 4.41Å; F794-F862 AromaticContact CD2-CD2 3.85Å; F794-F862 HydrophobicContact CD2-CD2 3.85Å; F794-F862 HydrophobicContact CD2-CE1 4.1Å; F794-F862 AromaticContact CD2-CE2 3.47Å; F794-F862 HydrophobicContact CD2-CE2 3.47Å; F794-F862 VanDerWaalsContact CD2-CE2 3.47Å; F794-F862 HydrophobicContact CD2-CG 4.29Å; F794-F862 AromaticContact CD2-CZ 3.63Å; F794-F862 HydrophobicContact CD2-CZ 3.63Å; F794-F862 HydrophobicContact CE2-CB 4.35Å; F794-F862 HydrophobicContact CE2-CD1 4.11Å; F794-F862 AromaticContact CE2-CD2 3.42Å; F794-F862 HydrophobicContact CE2-CD2 3.42Å; F794-F862 VanDerWaalsContact CE2-CD2 3.42Å; F794-F862 HydrophobicContact CE2-CE1 4.26Å; F794-F862 AromaticContact CE2-CE2 3.6Å; F794-F862 HydrophobicContact CE2-CE2 3.6Å; F794-F862 AromaticContact CE2-CG 3.69Å; F794-F862 HydrophobicContact CE2-CG 3.69Å; F794-F862 HydrophobicContact CE2-CZ 4.03Å; M856-F862 HydrophobicContact CE-CB 4.43Å; F862-L864 HydrophobicContact CE1-CB 3.88Å; F862-L864 HydrophobicContact CE1-CD1 4.07Å; F862-L864 HydrophobicContact CZ-CD1 4.08Å | ||
| 863 | A | 84.1 | Confident | 78.1 | Confident | 0 Ų | 0 | 40.8 Ų | 40.8 | 0% | 0 | 20% | 0.198 | C | C | . | . | trans | -106.9 | 95 | -179.7 | 0 | 0 | 0 | 0 | 0 | 109 | T766 D788 Y861 K865 | T766-A863 CarbonylContact O-C 3.44Å; T766-A863 WeakPolarHBondContact O-CA 3.45Å; D788-A863 CarbonylContact C-O 3.57Å; D788-A863 WeakPolarHBondContact CA-O 3.36Å; D788-A863 VanDerWaalsContact CB-O 3.3Å; D788-A863 WeakPolarHBondContact CB-O 3.41Å; Y861-A863 HydrophobicContact CD1-CB 4.23Å; Y861-A863 HydrophobicContact CE1-CB 3.49Å; Y861-A863 VanDerWaalsContact CE1-CB 3.49Å; Y861-A863 HydrophobicContact CE2-CB 4.4Å; A863-K865 PolarHBondContact O-N 2.97Å | ||
| 864 | L | 87.4 | Confident | 76.6 | Confident | 0 Ų | 0 | 39.6 Ų | 39.6 | 0% | 0 | 20% | 0.202 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -55.7 | 129.3 | -176.9 | -179 | 59.7 | 0 | 0 | 0 | 110.9 | L762 S765 T766 F769 L786 F862 T866 I867 F901 | L762-L864 HydrophobicContact CD1-CB 4.45Å; L762-L864 HydrophobicContact CD1-CD2 4.26Å; L762-L864 HydrophobicContact CD1-CG 3.9Å; S765-L864 CarbonylContact C-O 3.47Å; S765-L864 WeakPolarHBondContact CA-O 3.48Å; T766-L864 HydrophobicContact CG2-CB 3.99Å; T766-L864 PolarHBondContact N-O 3.22Å; T766-L864 PolarHBondContact O-N 2.91Å; F769-L864 HydrophobicContact CD1-CB 4.05Å; F769-L864 HydrophobicContact CD1-CD2 3.82Å; F769-L864 HydrophobicContact CD2-CD2 4.11Å; F769-L864 HydrophobicContact CE1-CB 3.83Å; F769-L864 HydrophobicContact CE1-CD2 3.83Å; F769-L864 HydrophobicContact CE1-CG 4.43Å; F769-L864 HydrophobicContact CE2-CD2 4.11Å; F769-L864 HydrophobicContact CG-CD2 3.97Å; F769-L864 HydrophobicContact CZ-CD2 3.97Å; L786-L864 HydrophobicContact CB-CD1 3.78Å; L786-L864 HydrophobicContact CD2-CD1 4.02Å; L786-L864 HydrophobicContact CD2-CD2 4.37Å; L786-L864 HydrophobicContact CG-CD1 4.47Å; F862-L864 HydrophobicContact CE1-CB 3.88Å; F862-L864 HydrophobicContact CE1-CD1 4.07Å; F862-L864 HydrophobicContact CZ-CD1 4.08Å; L864-T866 WeakPolarHBondContact CD1-O 3.31Å; L864-I867 HydrophobicContact CD1-CG1 4.16Å; L864-I867 HydrophobicContact CD2-CD1 4.04Å; L864-I867 HydrophobicContact CD2-CG1 3.92Å; L864-I867 HydrophobicContact CG-CG1 4.26Å; L864-F901 HydrophobicContact CD2-CE2 3.66Å; L864-F901 HydrophobicContact CD2-CZ 3.64Å |
| 865 | K | 86.6 | Confident | 75.1 | Confident | 94 Ų | 94 | 49 Ų | 49 | 41% | 0.409 | 24% | 0.237 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.7 | -36.4 | 180 | -173.6 | 175.3 | -177.1 | 175.2 | 0 | 112.9 | L762 Q787 A863 | L762-K865 WeakPolarHBondContact CB-O 3.28Å; L762-K865 PolarHBondContact N-O 2.81Å; Q787-K865 PolarHBondContact O-N 2.84Å; A863-K865 PolarHBondContact O-N 2.97Å |
| 866 | T | 87.1 | Confident | 73.7 | Confident | 15 Ų | 15 | 46 Ų | 46 | 9% | 0.092 | 23% | 0.227 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -133.8 | 135.3 | -179.1 | -50.1 | 0 | 0 | 0 | 0 | 110.5 | E759 I760 Q787 L864 | E759-T866 HydrophobicContact CG-CG2 4.18Å; I760-T866 WeakPolarHBondContact O-CA 3.02Å; Q787-T866 PolarHBondContact N-O 3.39Å; Q787-T866 PolarHBondContact O-N 2.91Å; Q787-T866 VanDerWaalsContact O-N 3.09Å; L864-T866 WeakPolarHBondContact CD1-O 3.31Å |
| 867 | I | 89.2 | Confident | 72.3 | Confident | 0 Ų | 0 | 51.4 Ų | 51.4 | 0% | 0 | 27% | 0.265 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.1 | 120.1 | 172.1 | -54.9 | 169.9 | 0 | 0 | 0 | 107.3 | I760 L784 F785 L786 L864 I869 F901 | I760-I867 HydrophobicContact CB-CB 4.22Å; I760-I867 PolarHBondContact N-O 3.21Å; I760-I867 PolarHBondContact O-N 3.48Å; L784-I867 HydrophobicContact CD1-CG2 3.83Å; F785-I867 WeakPolarHBondContact O-CA 3.49Å; L786-I867 HydrophobicContact CD2-CB 4.37Å; L786-I867 HydrophobicContact CD2-CG1 3.99Å; L786-I867 HydrophobicContact CD2-CG2 4.01Å; L864-I867 HydrophobicContact CD1-CG1 4.16Å; L864-I867 HydrophobicContact CD2-CD1 4.04Å; L864-I867 HydrophobicContact CD2-CG1 3.92Å; L864-I867 HydrophobicContact CG-CG1 4.26Å; I867-I869 HydrophobicContact CG2-CG1 4.44Å; I867-F901 HydrophobicContact CD1-CD1 4.05Å; I867-F901 HydrophobicContact CD1-CD2 3.92Å; I867-F901 HydrophobicContact CD1-CE1 3.95Å; I867-F901 HydrophobicContact CD1-CE2 3.78Å; I867-F901 HydrophobicContact CD1-CG 4.06Å; I867-F901 HydrophobicContact CD1-CZ 3.83Å |
| 868 | N | 88.2 | Confident | 71.4 | Confident | 1 Ų | 1 | 51.5 Ų | 51.5 | 1% | 0.005 | 27% | 0.266 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114 | 132.7 | 169.8 | -53.3 | -54.9 | 0 | 0 | 0 | 110.7 | I758 E759 L784 F785 L872 | I758-N868 CarbonylContact O-C 3.55Å; I758-N868 WeakPolarHBondContact O-CA 3.36Å; E759-N868 VanDerWaalsContact CA-OD1 3.31Å; E759-N868 WeakPolarHBondContact CA-OD1 3.27Å; E759-N868 WeakPolarHBondContact CB-OD1 3.49Å; E759-N868 WeakPolarHBondContact CG-OD1 3.37Å; L784-N868 CarbonylContact C-O 3.57Å; L784-N868 WeakPolarHBondContact CA-O 3.17Å; F785-N868 HydrophobicContact CB-CB 4.1Å; F785-N868 HydrophobicContact CD2-CB 4.47Å; F785-N868 PolarHBondContact N-O 3.38Å; F785-N868 PolarHBondContact O-N 3.13Å; N868-L872 HydrophobicContact CB-CD1 4.48Å; N868-L872 VanDerWaalsContact ND2-CD1 3.31Å; N868-L872 WeakPolarHBondContact ND2-CD1 3.36Å |
| 869 | I | 88.8 | Confident | 70.8 | Confident | 0 Ų | 0 | 51.3 Ų | 51.3 | 0% | 0 | 26% | 0.259 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.5 | 133.8 | 173.6 | -48 | 173.2 | 0 | 0 | 0 | 107.5 | F751 T757 I758 M773 V783 L784 I867 V896 F899 | F751-I869 HydrophobicContact CE1-CG2 4.21Å; F751-I869 WeakPolarHBondContact CE1-O 3.22Å; F751-I869 HydrophobicContact CE2-CG2 4.42Å; F751-I869 HydrophobicContact CZ-CB 4.16Å; F751-I869 HydrophobicContact CZ-CG2 3.67Å; T757-I869 CarbonylContact C-O 3.5Å; T757-I869 VanDerWaalsContact CA-O 3.29Å; T757-I869 WeakPolarHBondContact CA-O 3Å; T757-I869 PolarHBondContact OG1-O 3.22Å; I758-I869 HydrophobicContact CB-CB 4.24Å; I758-I869 PolarHBondContact N-O 2.87Å; I758-I869 PolarHBondContact O-N 3.02Å; M773-I869 HydrophobicContact CE-CD1 4.17Å; M773-I869 HydrophobicContact CE-CG1 4.5Å; V783-I869 CarbonylContact O-C 3.54Å; V783-I869 VanDerWaalsContact O-CA 3.26Å; V783-I869 WeakPolarHBondContact O-CA 3.49Å; L784-I869 HydrophobicContact CD1-CG1 4.23Å; I867-I869 HydrophobicContact CG2-CG1 4.44Å; I869-V896 HydrophobicContact CG2-CG2 4.03Å; I869-F899 HydrophobicContact CD1-CD2 3.63Å; I869-F899 HydrophobicContact CD1-CE2 3.48Å; I869-F899 VanDerWaalsContact CD1-CE2 3.48Å; I869-F899 HydrophobicContact CD1-CZ 4.47Å |
| 870 | G | 86.8 | Confident | 70.3 | Confident | 0 Ų | 0 | 56.5 Ų | 56.5 | 0% | 0 | 29% | 0.285 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 90.5 | -140.8 | -174.3 | 0 | 0 | 0 | 0 | 0 | 112.6 | S756 V783 F785 | S756-G870 WeakPolarHBondContact O-CA 3.45Å; V783-G870 PolarHBondContact O-N 3.27Å; F785-G870 WeakPolarHBondContact CE2-O 3.13Å |
| 871 | S | 79.5 | Confident | 69.9 | Low | 12 Ų | 12 | 56 Ų | 56 | 8% | 0.084 | 29% | 0.285 | C | S | . | . | S | Bend | trans | -71.9 | 160.7 | 176.5 | -164.9 | 0 | 0 | 0 | 0 | 112.2 | K754 S756 T757 | K754-S871 VanDerWaalsContact O-CB 3.25Å; K754-S871 WeakPolarHBondContact O-CB 3.43Å; K754-S871 PolarHBondContact O-OG 2.81Å; S756-S871 PolarHBondContact O-N 2.85Å; T757-S871 WeakPolarHBondContact CB-O 3.38Å; T757-S871 PolarHBondContact OG1-O 2.92Å |
| 872 | L | 71.6 | Confident | 69.2 | Low | 11 Ų | 11 | 51.7 Ų | 51.7 | 6% | 0.058 | 27% | 0.268 | C | S | . | . | P | Polyproline II helix | trans | -83.2 | 129.7 | 165.7 | -164.4 | 71.9 | 0 | 0 | 0 | 108.2 | F785 N868 T874 Y879 Y882 | F785-L872 HydrophobicContact CD1-CD1 4.47Å; F785-L872 HydrophobicContact CG-CD1 4.49Å; N868-L872 HydrophobicContact CB-CD1 4.48Å; N868-L872 VanDerWaalsContact ND2-CD1 3.31Å; N868-L872 WeakPolarHBondContact ND2-CD1 3.36Å; L872-T874 PolarHBondContact O-N 2.75Å; L872-Y879 HydrophobicContact CB-CD2 4.01Å; L872-Y879 HydrophobicContact CB-CE2 3.93Å; L872-Y879 HydrophobicContact CD2-CD2 4.17Å; L872-Y879 HydrophobicContact CG-CD2 4.36Å; L872-Y879 WeakPolarHBondContact O-CE2 3.39Å; L872-Y882 HydrophobicContact CD2-CD2 3.47Å; L872-Y882 VanDerWaalsContact CD2-CD2 3.47Å; L872-Y882 HydrophobicContact CD2-CE2 3.57Å; L872-Y882 HydrophobicContact CD2-CG 4.36Å |
| 873 | S | 60.9 | Low | 68.1 | Low | 21 Ų | 21 | 52.8 Ų | 52.8 | 15% | 0.147 | 28% | 0.279 | C | S | . | . | P | Polyproline II helix | trans | -55.8 | 124.7 | 179.8 | -179.8 | 0 | 0 | 0 | 0 | 110.9 | R875 N876 | S873-R875 PolarHBondContact O-N 3.18Å; S873-R875 VanDerWaalsContact O-N 3.08Å; S873-R875 PolarHBondContact OG-N 3.31Å; S873-N876 PolarHBondContact O-N 3.06Å |
| 874 | T | 55.7 | Low | 66.9 | Low | 111 Ų | 111 | 58.1 Ų | 58.1 | 68% | 0.681 | 31% | 0.308 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -65.7 | -7 | 176.3 | 52.5 | 0 | 0 | 0 | 0 | 113.1 | L872 N876 Y879 | L872-T874 PolarHBondContact O-N 2.75Å; T874-N876 VanDerWaalsContact C-N 3.34Å; T874-Y879 HydrophobicContact CG2-CE2 4.3Å |
| 875 | R | 51.5 | Low | 65.7 | Low | 197 Ų | 197 | 61.2 Ų | 61.2 | 74% | 0.743 | 32% | 0.32 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -76 | -18.9 | 176.3 | -68.3 | -174 | -127 | -127.1 | -1.9 | 113.6 | S873 | S873-R875 PolarHBondContact O-N 3.18Å; S873-R875 VanDerWaalsContact O-N 3.08Å; S873-R875 PolarHBondContact OG-N 3.31Å |
| 876 | N | 50.1 | Low | 64.6 | Low | 70 Ų | 70 | 58 Ų | 58 | 37% | 0.374 | 31% | 0.307 | S | S | . | . | S | Bend | trans | -89.1 | 121.7 | 178.4 | -76.5 | -18.9 | 0 | 0 | 0 | 110.2 | S873 T874 N878 Y879 | S873-N876 PolarHBondContact O-N 3.06Å; T874-N876 VanDerWaalsContact C-N 3.34Å; N876-N878 PolarHBondContact O-N 3.05Å; N876-Y879 PolarHBondContact O-N 3.37Å; N876-Y879 VanDerWaalsContact O-N 3.15Å |
| 877 | S | 45.4 | Very low | 63.3 | Low | 115 Ų | 115 | 63.3 Ų | 63.3 | 80% | 0.804 | 33% | 0.33 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -56.1 | -8.3 | -177.7 | 52.4 | 0 | 0 | 0 | 0 | 115.8 | ||
| 878 | N | 48.7 | Very low | 61.4 | Low | 98 Ų | 98 | 72.2 Ų | 72.2 | 52% | 0.524 | 36% | 0.364 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -89.2 | -0.1 | 178.1 | -70.1 | -15 | 0 | 0 | 0 | 114.2 | N876 D880 T881 Y882 | N876-N878 PolarHBondContact O-N 3.05Å; N878-D880 VanDerWaalsContact C-N 3.27Å; N878-D880 PolarHBondContact O-N 3.01Å; N878-T881 PolarHBondContact O-N 2.78Å; N878-T881 VanDerWaalsContact O-N 3.13Å; N878-T881 PolarHBondContact O-OG1 2.74Å; N878-Y882 HydrophobicContact CB-CE2 4.31Å; N878-Y882 WeakPolarHBondContact O-CD2 3.41Å |
| 879 | Y | 47.3 | Very low | 59.6 | Low | 100 Ų | 100 | 76.8 Ų | 76.8 | 39% | 0.392 | 39% | 0.392 | S | S | . | . | H | α-helix | trans | -55.4 | -37.6 | -177.6 | -164.4 | -92.5 | 0 | 0 | 0 | 113.5 | L872 T874 N876 T881 Y882 | L872-Y879 HydrophobicContact CB-CD2 4.01Å; L872-Y879 HydrophobicContact CB-CE2 3.93Å; L872-Y879 HydrophobicContact CD2-CD2 4.17Å; L872-Y879 HydrophobicContact CG-CD2 4.36Å; L872-Y879 WeakPolarHBondContact O-CE2 3.39Å; T874-Y879 HydrophobicContact CG2-CE2 4.3Å; N876-Y879 PolarHBondContact O-N 3.37Å; N876-Y879 VanDerWaalsContact O-N 3.15Å; Y879-T881 VanDerWaalsContact C-N 3.26Å; Y879-T881 PolarHBondContact O-N 3.19Å; Y879-Y882 PolarHBondContact O-N 3.3Å |
| 880 | D | 51.5 | Low | 58.3 | Low | 142 Ų | 142 | 78.5 Ų | 78.5 | 76% | 0.759 | 40% | 0.403 | S | S | * | . | H | α-helix | trans | -64.8 | -25.3 | -179.6 | -74.2 | -28.8 | 0 | 0 | 0 | 113.8 | N878 | N878-D880 VanDerWaalsContact C-N 3.27Å; N878-D880 PolarHBondContact O-N 3.01Å |
| 881 | T | 53.8 | Low | 57.5 | Low | 73 Ų | 73 | 79.1 Ų | 79.1 | 45% | 0.448 | 41% | 0.409 | S | S | . | . | H | α-helix | trans | -74.2 | -31.6 | -179 | 54.6 | 0 | 0 | 0 | 0 | 113.5 | N878 Y879 Y885 | N878-T881 PolarHBondContact O-N 2.78Å; N878-T881 VanDerWaalsContact O-N 3.13Å; N878-T881 PolarHBondContact O-OG1 2.74Å; Y879-T881 VanDerWaalsContact C-N 3.26Å; Y879-T881 PolarHBondContact O-N 3.19Å; T881-Y885 WeakPolarHBondContact O-CD2 3.49Å; T881-Y885 WeakPolarHBondContact O-CE2 3.28Å |
| 882 | Y | 58.5 | Low | 57.7 | Low | 25 Ų | 25 | 78.5 Ų | 78.5 | 10% | 0.098 | 41% | 0.405 | C | S | . | . | H | α-helix | trans | -79.3 | -25.6 | -177.6 | -63.7 | -74.1 | 0 | 0 | 0 | 113.7 | Q787 N793 I795 L872 N878 Y879 N884 Y885 I886 | Q787-Y882 PolarHBondContact NE2-OH 3.3Å; N793-Y882 HydrophobicContact CB-CE1 4.32Å; N793-Y882 WeakPolarHBondContact ND2-CE1 3.46Å; N793-Y882 PolarHBondContact ND2-OH 2.73Å; N793-Y882 VanDerWaalsContact ND2-OH 3.11Å; N793-Y882 PolarHBondContact OD1-OH 3.08Å; I795-Y882 HydrophobicContact CD1-CD1 4.18Å; L872-Y882 HydrophobicContact CD2-CD2 3.47Å; L872-Y882 VanDerWaalsContact CD2-CD2 3.47Å; L872-Y882 HydrophobicContact CD2-CE2 3.57Å; L872-Y882 HydrophobicContact CD2-CG 4.36Å; N878-Y882 HydrophobicContact CB-CE2 4.31Å; N878-Y882 WeakPolarHBondContact O-CD2 3.41Å; Y879-Y882 PolarHBondContact O-N 3.3Å; Y882-N884 PolarHBondContact O-N 2.9Å; Y882-Y885 PolarHBondContact O-N 2.92Å; Y882-I886 PolarHBondContact O-N 2.9Å |
| 883 | G | 56.7 | Low | 58.4 | Low | 24 Ų | 24 | 79.6 Ų | 79.6 | 25% | 0.247 | 41% | 0.409 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -61.5 | -11.3 | -177.6 | 0 | 0 | 0 | 0 | 0 | 114.7 | R888 | G883-R888 WeakPolarHBondContact O-CG 3.25Å; G883-R888 PolarHBondContact O-NE 3.31Å |
| 884 | N | 60.3 | Low | 59.7 | Low | 112 Ų | 112 | 78.6 Ų | 78.6 | 60% | 0.599 | 40% | 0.403 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -85 | -19 | 174.7 | -70.6 | -20.6 | 0 | 0 | 0 | 113.8 | Y882 R888 | Y882-N884 PolarHBondContact O-N 2.9Å; N884-R888 PolarHBondContact OD1-NH2 2.87Å |
| 885 | Y | 61.5 | Low | 61.4 | Low | 65 Ų | 65 | 73.3 Ų | 73.3 | 26% | 0.255 | 37% | 0.37 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -112.2 | -29.3 | -169.3 | -54.9 | -73.5 | 0 | 0 | 0 | 113.8 | D811 T813 K815 T881 Y882 | D811-Y885 PolarHBondContact O-OH 3.21Å; D811-Y885 VanDerWaalsContact O-OH 3.1Å; T813-Y885 HydrophobicContact CG2-CD1 4.28Å; T813-Y885 WeakPolarHBondContact OG1-CD1 3.3Å; T813-Y885 VanDerWaalsContact OG1-CE1 3.24Å; T813-Y885 WeakPolarHBondContact OG1-CE1 3.21Å; K815-Y885 PolarHBondContact NZ-O 3.1Å; T881-Y885 WeakPolarHBondContact O-CD2 3.49Å; T881-Y885 WeakPolarHBondContact O-CE2 3.28Å; Y882-Y885 PolarHBondContact O-N 2.92Å |
| 886 | I | 64.5 | Low | 63.2 | Low | 27 Ų | 27 | 64 Ų | 64 | 14% | 0.138 | 34% | 0.335 | C | S | . | . | S | Bend | trans | -93.4 | 149.1 | 178.2 | -50.1 | 171.5 | 0 | 0 | 0 | 108.7 | A782 F785 I795 Y882 R888 | A782-I886 HydrophobicContact CB-CG2 4.34Å; F785-I886 HydrophobicContact CE1-CD1 3.68Å; F785-I886 HydrophobicContact CZ-CD1 4.06Å; I795-I886 HydrophobicContact CD1-CD1 3.85Å; I795-I886 HydrophobicContact CD1-CG1 4.12Å; I795-I886 HydrophobicContact CG2-CD1 4.39Å; Y882-I886 PolarHBondContact O-N 2.9Å; I886-R888 PolarHBondContact O-N 3.35Å |
| 887 | H | 58.1 | Low | 65.1 | Low | 125 Ų | 125 | 60.8 Ų | 60.8 | 58% | 0.579 | 32% | 0.318 | S | S | * | . | trans | -61.7 | 113.6 | 169.1 | -133.5 | -61.6 | 0 | 0 | 0 | 108 | I799 T889 | I799-H887 HydrophobicContact CD1-CB 4.34Å; H887-T889 PolarHBondContact O-N 2.82Å | ||
| 888 | R | 50.4 | Low | 67.1 | Low | 187 Ų | 187 | 56.4 Ų | 56.4 | 71% | 0.706 | 29% | 0.288 | S | S | * | . | S | Bend | trans | -54.3 | 1.1 | -164.6 | -79.9 | -177.5 | 178.8 | -179.4 | -2.8 | 117.8 | G883 N884 I886 | G883-R888 WeakPolarHBondContact O-CG 3.25Å; G883-R888 PolarHBondContact O-NE 3.31Å; N884-R888 PolarHBondContact OD1-NH2 2.87Å; I886-R888 PolarHBondContact O-N 3.35Å |
| 889 | T | 50 | Low | 69 | Low | 97 Ų | 97 | 52.3 Ų | 52.3 | 60% | 0.595 | 27% | 0.265 | S | S | * | . | S | Bend | trans | -150.5 | 62.4 | -160.5 | 55.9 | 0 | 0 | 0 | 0 | 115.6 | H887 | H887-T889 PolarHBondContact O-N 2.82Š|
| 890 | T | 61.4 | Low | 70.8 | Confident | 36 Ų | 36 | 49.2 Ų | 49.2 | 22% | 0.221 | 26% | 0.258 | C | S | . | . | trans | -178.7 | 109.3 | 146.2 | 36.6 | 0 | 0 | 0 | 0 | 110.9 | K779 Y780 G781 A782 | K779-T890 HydrophobicContact CD-CG2 3.94Å; K779-T890 HydrophobicContact CG-CG2 4.36Å; Y780-T890 VanDerWaalsContact O-CB 3.31Å; Y780-T890 WeakPolarHBondContact O-CB 3.32Å; Y780-T890 PolarHBondContact O-OG1 3.18Å; G781-T890 VanDerWaalsContact CA-O 3.29Å; G781-T890 WeakPolarHBondContact CA-O 3.32Å; A782-T890 PolarHBondContact N-O 3.09Å | ||
| 891 | G | 70.7 | Confident | 72.5 | Confident | 13 Ų | 13 | 42.5 Ų | 42.5 | 13% | 0.134 | 22% | 0.222 | C | C | . | . | B | Isolated β-bridge | trans | -61.1 | 151.1 | 158.3 | 0 | 0 | 0 | 0 | 0 | 110 | K754 Q893 | K754-G891 WeakPolarHBondContact O-CA 3.3Å; G891-Q893 PolarHBondContact O-N 3.06Å |
| 892 | F | 83.1 | Confident | 73.9 | Confident | 0 Ų | 0 | 40.5 Ų | 40.5 | 0% | 0 | 21% | 0.209 | C | C | . | . | trans | -57.4 | 131.8 | 178.7 | 163.5 | -107.9 | 0 | 0 | 0 | 111.5 | F751 I775 W777 A782 V783 G894 V896 | F751-F892 HydrophobicContact CB-CD1 3.85Å; F751-F892 HydrophobicContact CB-CE1 3.89Å; F751-F892 AromaticContact CD1-CD1 3.85Å; F751-F892 HydrophobicContact CD1-CD1 3.85Å; F751-F892 HydrophobicContact CD1-CE1 4.24Å; F751-F892 AromaticContact CD2-CD1 3.98Å; F751-F892 HydrophobicContact CD2-CD1 3.98Å; F751-F892 AromaticContact CD2-CE1 3.51Å; F751-F892 HydrophobicContact CD2-CE1 3.51Å; F751-F892 HydrophobicContact CE1-CD1 4.4Å; F751-F892 HydrophobicContact CE2-CE1 4.06Å; F751-F892 AromaticContact CG-CD1 3.62Å; F751-F892 HydrophobicContact CG-CD1 3.62Å; F751-F892 AromaticContact CG-CE1 3.62Å; F751-F892 HydrophobicContact CG-CE1 3.62Å; I775-F892 HydrophobicContact CD1-CD2 4.12Å; I775-F892 HydrophobicContact CD1-CE1 4.38Å; I775-F892 HydrophobicContact CD1-CE2 3.47Å; I775-F892 VanDerWaalsContact CD1-CE2 3.47Å; I775-F892 HydrophobicContact CD1-CZ 3.61Å; I775-F892 HydrophobicContact CG1-CE2 3.75Å; I775-F892 HydrophobicContact CG1-CZ 3.7Å; W777-F892 AromaticContact CD1-CD2 3.66Å; W777-F892 AromaticContact CD1-CE2 3.65Å; W777-F892 HydrophobicContact CG-CE2 4.08Å; W777-F892 AromaticContact NE1-CD2 3.83Å; W777-F892 AromaticContact NE1-CE2 3.91Å; A782-F892 WeakPolarHBondContact O-CB 3.43Å; A782-F892 PolarHBondContact O-N 2.61Å; V783-F892 HydrophobicContact CG2-CB 4.05Å; V783-F892 HydrophobicContact CG2-CD2 3.69Å; V783-F892 HydrophobicContact CG2-CE2 4.33Å; V783-F892 HydrophobicContact CG2-CG 3.98Å; F892-G894 VanDerWaalsContact CZ-CA 3.48Å; F892-V896 HydrophobicContact CE1-CG2 3.75Å; F892-V896 HydrophobicContact CZ-CG2 4.08Å | ||
| 893 | Q | 86.1 | Confident | 75.1 | Confident | 33 Ų | 33 | 40.4 Ų | 40.4 | 15% | 0.154 | 21% | 0.209 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.7 | 127 | 167.2 | -63 | 179.1 | -49.4 | 0 | 0 | 107.6 | F751 N752 K778 K779 G891 | F751-Q893 VanDerWaalsContact O-CA 3.29Å; F751-Q893 WeakPolarHBondContact O-CA 3.31Å; N752-Q893 PolarHBondContact O-NE2 3Å; K778-Q893 WeakPolarHBondContact CA-O 3.49Å; K778-Q893 HydrophobicContact CB-CB 4.46Å; K778-Q893 WeakPolarHBondContact CB-O 3.18Å; K778-Q893 PolarHBondContact N-O 2.81Å; K779-Q893 HydrophobicContact CB-CB 4.14Å; K779-Q893 PolarHBondContact N-O 3.31Å; G891-Q893 PolarHBondContact O-N 3.06Å |
| 894 | G | 88.4 | Confident | 76.1 | Confident | 0 Ų | 0 | 40 Ų | 40 | 0% | 0 | 20% | 0.202 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 158.5 | -163.5 | -171.3 | 0 | 0 | 0 | 0 | 0 | 111.8 | F751 K776 F892 | F751-G894 PolarHBondContact N-O 3.01Å; F751-G894 PolarHBondContact O-N 3.25Å; K776-G894 CarbonylContact O-C 3.54Å; K776-G894 WeakPolarHBondContact O-CA 3.24Å; F892-G894 VanDerWaalsContact CZ-CA 3.48Å |
| 895 | C | 90.5 | Very high | 76.5 | Confident | 0 Ų | 0 | 36.6 Ų | 36.6 | 0% | 0 | 18% | 0.183 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.9 | 146.7 | 177.4 | -55.3 | 0 | 0 | 0 | 0 | 111.2 | L749 I775 K776 W829 C946 | L749-C895 CarbonylContact O-C 3.37Å; L749-C895 WeakPolarHBondContact O-CA 3.05Å; I775-C895 CarbonylContact C-O 3.45Å; I775-C895 WeakPolarHBondContact CA-O 3.44Å; K776-C895 HydrophobicContact CB-CB 4.19Å; K776-C895 PolarHBondContact N-O 3.05Å; K776-C895 PolarHBondContact O-N 3.41Å; W829-C895 HydrophobicContact CH2-CB 3.56Å; W829-C895 HydrophobicContact CZ2-CB 4.16Å; W829-C895 HydrophobicContact CZ3-CB 4.19Å; C895-C946 HydrophobicContact CB-CB 3.78Å; C895-C946 WeakPolarHBondContact CB-SG 3.31Å; C895-C946 WeakPolarHBondContact SG-CA 3.43Å; C895-C946 WeakPolarHBondContact SG-CB 3.12Å; C895-C946 CovalentContact SG-SG 2.04Å; C895-C946 PolarHBondContact SG-SG 2.68Å |
| 896 | V | 91.3 | Very high | 76.6 | Confident | 2 Ų | 2 | 34.9 Ų | 34.9 | 1% | 0.012 | 18% | 0.179 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.3 | 135.8 | 169.8 | 175.8 | 0 | 0 | 0 | 0 | 108.4 | P748 L749 F751 M773 W774 I869 F892 | P748-V896 CarbonylContact C-O 3.58Å; P748-V896 WeakPolarHBondContact CA-O 3.11Å; L749-V896 PolarHBondContact N-O 3.06Å; L749-V896 PolarHBondContact O-N 3.23Å; F751-V896 HydrophobicContact CD2-CG2 4.33Å; F751-V896 HydrophobicContact CE2-CB 4Å; F751-V896 HydrophobicContact CE2-CG2 3.74Å; F751-V896 HydrophobicContact CZ-CG2 4.39Å; M773-V896 HydrophobicContact CB-CG1 4.1Å; M773-V896 HydrophobicContact CG-CG1 4.47Å; M773-V896 HydrophobicContact SD-CG1 4.01Å; W774-V896 CarbonylContact O-C 3.46Å; W774-V896 VanDerWaalsContact O-CA 3.24Å; W774-V896 WeakPolarHBondContact O-CA 3.38Å; I869-V896 HydrophobicContact CG2-CG2 4.03Å; F892-V896 HydrophobicContact CE1-CG2 3.75Å; F892-V896 HydrophobicContact CZ-CG2 4.08Å |
| 897 | A | 89.9 | Confident | 76.2 | Confident | 2 Ų | 2 | 42.7 Ų | 42.7 | 2% | 0.017 | 21% | 0.208 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -142.1 | 164.8 | -178.6 | 0 | 0 | 0 | 0 | 0 | 111.8 | H745 P748 W774 W829 F899 | H745-A897 HydrophobicContact CB-CB 3.81Å; P748-A897 HydrophobicContact CB-CB 4Å; W774-A897 HydrophobicContact CB-CB 4.23Å; W774-A897 PolarHBondContact N-O 2.82Å; W774-A897 PolarHBondContact O-N 2.85Å; W829-A897 HydrophobicContact CH2-CB 3.66Å; W829-A897 HydrophobicContact CZ3-CB 3.73Å; A897-F899 PolarHBondContact O-N 2.87Å; A897-F899 VanDerWaalsContact O-N 3.17Å |
| 898 | S | 87.4 | Confident | 75.6 | Confident | 23 Ų | 23 | 39.4 Ų | 39.4 | 16% | 0.161 | 21% | 0.207 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 42.2 | 47.6 | -178 | -29.3 | 0 | 0 | 0 | 0 | 113.5 | N744 E746 S900 | N744-S898 PolarHBondContact O-OG 3.49Å; E746-S898 PolarHBondContact N-OG 2.65Å; E746-S898 PolarHBondContact O-N 2.88Å; S898-S900 PolarHBondContact O-N 2.74Å |
| 899 | F | 87.5 | Confident | 75 | Confident | 12 Ų | 12 | 40.5 Ų | 40.5 | 5% | 0.053 | 22% | 0.22 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -63.3 | 125 | 176.7 | 179 | -88.3 | 0 | 0 | 0 | 110.4 | I760 L771 G772 M773 I869 A897 F901 N927 L929 | I760-F899 HydrophobicContact CD1-CE1 3.88Å; I760-F899 HydrophobicContact CD1-CE2 4.35Å; I760-F899 HydrophobicContact CD1-CZ 3.59Å; L771-F899 HydrophobicContact CD1-CD2 4.28Å; L771-F899 HydrophobicContact CD1-CE1 4.42Å; L771-F899 HydrophobicContact CD1-CE2 3.39Å; L771-F899 HydrophobicContact CD1-CZ 3.47Å; L771-F899 VanDerWaalsContact CD1-CZ 3.47Å; G772-F899 CarbonylContact O-C 3.6Å; G772-F899 WeakPolarHBondContact O-CA 3.31Å; M773-F899 HydrophobicContact CB-CD2 4.43Å; M773-F899 HydrophobicContact CE-CD2 3.87Å; M773-F899 HydrophobicContact CE-CE2 3.85Å; I869-F899 HydrophobicContact CD1-CD2 3.63Å; I869-F899 HydrophobicContact CD1-CE2 3.48Å; I869-F899 VanDerWaalsContact CD1-CE2 3.48Å; I869-F899 HydrophobicContact CD1-CZ 4.47Å; A897-F899 PolarHBondContact O-N 2.87Å; A897-F899 VanDerWaalsContact O-N 3.17Å; F899-F901 HydrophobicContact CE1-CB 3.88Å; F899-F901 HydrophobicContact CZ-CB 4.13Å; F899-N927 PolarHBondContact O-OD1 2.85Å; F899-L929 HydrophobicContact CB-CD1 3.58Å; F899-L929 HydrophobicContact CB-CG 4.42Å; F899-L929 HydrophobicContact CD1-CD1 4.18Å; F899-L929 HydrophobicContact CD1-CG 4.11Å; F899-L929 HydrophobicContact CG-CD1 3.92Å; F899-L929 HydrophobicContact CG-CG 4.33Å |
| 900 | S | 85.2 | Confident | 74.3 | Confident | 36 Ų | 36 | 39.6 Ų | 39.6 | 25% | 0.252 | 22% | 0.218 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.9 | 136.7 | 177.4 | 60.9 | 0 | 0 | 0 | 0 | 110.1 | L771 G772 S898 | L771-S900 CarbonylContact C-O 3.55Å; L771-S900 WeakPolarHBondContact CA-O 3.43Å; G772-S900 PolarHBondContact N-O 2.88Å; G772-S900 PolarHBondContact O-N 2.02Å; G772-S900 PolarHBondContact O-OG 2.82Å; S898-S900 PolarHBondContact O-N 2.74Å |
| 901 | F | 87.2 | Confident | 72.8 | Confident | 1 Ų | 1 | 43.6 Ų | 43.6 | 0% | 0.004 | 25% | 0.248 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -140.2 | 110 | 177.2 | 179.8 | -119.7 | 0 | 0 | 0 | 110 | L762 T766 F769 V770 L771 L864 I867 F899 Y903 Y928 | L762-F901 HydrophobicContact CD1-CE1 3.93Å; L762-F901 HydrophobicContact CD1-CZ 3.92Å; L762-F901 HydrophobicContact CD2-CD1 4.36Å; L762-F901 HydrophobicContact CD2-CE1 3.64Å; L762-F901 HydrophobicContact CD2-CZ 4.43Å; L762-F901 HydrophobicContact CG-CE1 4.46Å; T766-F901 HydrophobicContact CG2-CZ 4.1Å; F769-F901 HydrophobicContact CB-CD2 4.4Å; F769-F901 HydrophobicContact CB-CE2 3.53Å; F769-F901 HydrophobicContact CB-CZ 4.03Å; F769-F901 AromaticContact CD2-CE2 3.96Å; F769-F901 HydrophobicContact CD2-CE2 3.96Å; F769-F901 AromaticContact CG-CE2 3.87Å; F769-F901 HydrophobicContact CG-CE2 3.87Å; F769-F901 HydrophobicContact CG-CZ 4.49Å; V770-F901 WeakPolarHBondContact O-CA 3.47Å; L771-F901 HydrophobicContact CB-CD2 4.07Å; L771-F901 HydrophobicContact CD1-CB 4.12Å; L771-F901 HydrophobicContact CD1-CD2 3.9Å; L771-F901 HydrophobicContact CD1-CG 4.37Å; L864-F901 HydrophobicContact CD2-CE2 3.66Å; L864-F901 HydrophobicContact CD2-CZ 3.64Å; I867-F901 HydrophobicContact CD1-CD1 4.05Å; I867-F901 HydrophobicContact CD1-CD2 3.92Å; I867-F901 HydrophobicContact CD1-CE1 3.95Å; I867-F901 HydrophobicContact CD1-CE2 3.78Å; I867-F901 HydrophobicContact CD1-CG 4.06Å; I867-F901 HydrophobicContact CD1-CZ 3.83Å; F899-F901 HydrophobicContact CE1-CB 3.88Å; F899-F901 HydrophobicContact CZ-CB 4.13Å; F901-Y903 AromaticContact CD1-CD1 3.57Å; F901-Y903 HydrophobicContact CD1-CD1 3.57Å; F901-Y903 AromaticContact CD1-CE1 3.9Å; F901-Y903 HydrophobicContact CD1-CE1 3.9Å; F901-Y903 AromaticContact CE1-CD1 3.14Å; F901-Y903 HydrophobicContact CE1-CD1 3.14Å; F901-Y903 AromaticContact CE1-CE1 3.57Å; F901-Y903 HydrophobicContact CE1-CE1 3.57Å; F901-Y903 AromaticContact CE1-CG 3.97Å; F901-Y903 HydrophobicContact CE1-CG 3.97Å; F901-Y903 HydrophobicContact CG-CD1 4.45Å; F901-Y903 AromaticContact CZ-CD1 3.77Å; F901-Y903 HydrophobicContact CZ-CD1 3.77Å; F901-Y903 HydrophobicContact CZ-CG 4.18Å; F901-Y928 HydrophobicContact CB-CD2 3.93Å; F901-Y928 HydrophobicContact CB-CE2 4.2Å; F901-Y928 AromaticContact CD1-CD2 3.77Å; F901-Y928 HydrophobicContact CD1-CD2 3.77Å; F901-Y928 AromaticContact CD1-CE2 3.52Å; F901-Y928 HydrophobicContact CD1-CE2 3.52Å; F901-Y928 HydrophobicContact CE1-CE2 4.4Å; F901-Y928 HydrophobicContact CG-CD2 4.36Å; F901-Y928 HydrophobicContact CG-CE2 4.32Å |
| 902 | N | 84.3 | Confident | 70.7 | Confident | 31 Ų | 31 | 49.3 Ų | 49.3 | 17% | 0.166 | 28% | 0.275 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.8 | 130.1 | 178.9 | -55 | -31 | 0 | 0 | 0 | 108.7 | F769 V770 Y924 Q925 | F769-N902 CarbonylContact C-O 3.59Å; F769-N902 WeakPolarHBondContact CA-O 3.31Å; V770-N902 HydrophobicContact CB-CB 4.35Å; V770-N902 PolarHBondContact N-O 3.29Å; V770-N902 PolarHBondContact O-N 2.03Å; N902-Y924 WeakPolarHBondContact CA-O 3.24Å; N902-Q925 WeakPolarHBondContact OD1-CA 3.33Å; N902-Q925 WeakPolarHBondContact OD1-CG 3.29Å |
| 903 | Y | 82.9 | Confident | 68 | Low | 22 Ų | 22 | 57.2 Ų | 57.2 | 9% | 0.086 | 32% | 0.317 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -144.9 | 165.2 | 180 | 64.6 | -91.9 | 0 | 0 | 0 | 113.5 | T766 E768 F901 I905 Y928 Q935 | T766-Y903 HydrophobicContact CG2-CD2 4.25Å; T766-Y903 HydrophobicContact CG2-CG 4.14Å; E768-Y903 WeakPolarHBondContact O-CA 3.26Å; E768-Y903 VanDerWaalsContact O-CB 3.31Å; E768-Y903 WeakPolarHBondContact O-CB 3.24Å; F901-Y903 AromaticContact CD1-CD1 3.57Å; F901-Y903 HydrophobicContact CD1-CD1 3.57Å; F901-Y903 AromaticContact CD1-CE1 3.9Å; F901-Y903 HydrophobicContact CD1-CE1 3.9Å; F901-Y903 AromaticContact CE1-CD1 3.14Å; F901-Y903 HydrophobicContact CE1-CD1 3.14Å; F901-Y903 AromaticContact CE1-CE1 3.57Å; F901-Y903 HydrophobicContact CE1-CE1 3.57Å; F901-Y903 AromaticContact CE1-CG 3.97Å; F901-Y903 HydrophobicContact CE1-CG 3.97Å; F901-Y903 HydrophobicContact CG-CD1 4.45Å; F901-Y903 AromaticContact CZ-CD1 3.77Å; F901-Y903 HydrophobicContact CZ-CD1 3.77Å; F901-Y903 HydrophobicContact CZ-CG 4.18Å; Y903-I905 HydrophobicContact CD2-CG1 4.35Å; Y903-I905 HydrophobicContact CE2-CG1 3.87Å; Y903-Y928 HydrophobicContact CD1-CE2 4.33Å; Y903-Y928 AromaticContact CE1-CE2 3.72Å; Y903-Y928 HydrophobicContact CE1-CE2 3.72Å; Y903-Y928 AromaticContact CE1-CZ 3.45Å; Y903-Y928 VanDerWaalsContact CE1-CZ 3.45Å; Y903-Y928 WeakPolarHBondContact CE1-OH 2.99Å; Y903-Y928 VanDerWaalsContact CZ-OH 3.23Å; Y903-Y928 PolarHBondContact OH-OH 3.07Å; Y903-Q935 PolarHBondContact OH-NE2 3.32Å |
| 904 | S | 77.3 | Confident | 65.3 | Low | 15 Ų | 15 | 61.4 Ų | 61.4 | 11% | 0.105 | 34% | 0.339 | C | S | . | . | trans | -104.2 | 145.6 | 166.9 | 90.2 | 0 | 0 | 0 | 0 | 110.1 | T766 E768 | T766-S904 WeakPolarHBondContact CB-O 3.33Å; T766-S904 PolarHBondContact OG1-O 3.25Å; E768-S904 WeakPolarHBondContact CB-OG 3.47Å; E768-S904 PolarHBondContact O-N 3.42Å; E768-S904 PolarHBondContact OE2-OG 3.47Å | ||
| 905 | I | 68.7 | Low | 62.3 | Low | 42 Ų | 42 | 71 Ų | 71 | 22% | 0.215 | 38% | 0.381 | C | S | . | . | trans | -85.3 | 121.4 | 178.8 | -61.9 | 170.9 | 0 | 0 | 0 | 108.2 | H764 Y903 Y907 Y924 | H764-I905 HydrophobicContact CB-CG2 4.19Å; Y903-I905 HydrophobicContact CD2-CG1 4.35Å; Y903-I905 HydrophobicContact CE2-CG1 3.87Å; I905-Y907 HydrophobicContact CG2-CD2 4.33Å; I905-Y907 HydrophobicContact CG2-CE2 4.31Å; I905-Y907 PolarHBondContact O-N 3.47Å; I905-Y924 HydrophobicContact CD1-CD2 4.12Å; I905-Y924 HydrophobicContact CD1-CE2 3.54Å; I905-Y924 HydrophobicContact CG1-CD2 4.39Å; I905-Y924 HydrophobicContact CG1-CE2 4.18Å | ||
| 906 | D | 64.5 | Low | 59.5 | Low | 29 Ų | 29 | 77.4 Ų | 77.4 | 16% | 0.155 | 41% | 0.414 | C | S | . | . | trans | -72.1 | 95.6 | 168.6 | -63.2 | -22.3 | 0 | 0 | 0 | 108.1 | T766 S767 G908 | T766-D906 WeakPolarHBondContact CA-OD2 3.41Å; S767-D906 WeakPolarHBondContact CB-OD1 3.26Å; S767-D906 WeakPolarHBondContact CB-OD2 3.39Å; S767-D906 VanDerWaalsContact N-CG 3.3Å; S767-D906 PolarHBondContact N-OD1 3.17Å; S767-D906 PolarHBondContact N-OD2 3.5Å; S767-D906 PolarHBondContact OG-OD1 2.94Å; S767-D906 PolarHBondContact OG-OD2 3.46Å; D906-G908 VanDerWaalsContact C-N 3.32Å; D906-G908 PolarHBondContact O-N 2.88Å | ||
| 907 | Y | 54.6 | Low | 56.5 | Low | 191 Ų | 191 | 83.9 Ų | 83.9 | 75% | 0.749 | 45% | 0.449 | S | S | * | . | trans | -67.2 | 98.8 | 164.1 | -81.6 | -82 | 0 | 0 | 0 | 107.5 | I905 Q909 | I905-Y907 HydrophobicContact CG2-CD2 4.33Å; I905-Y907 HydrophobicContact CG2-CE2 4.31Å; I905-Y907 PolarHBondContact O-N 3.47Å; Y907-Q909 PolarHBondContact O-N 3.23Å | ||
| 908 | G | 47 | Very low | 53.6 | Low | 55 Ų | 55 | 92.1 Ų | 92.1 | 57% | 0.567 | 49% | 0.492 | S | S | * | . | trans | -48.4 | 140.5 | 169.2 | 0 | 0 | 0 | 0 | 0 | 109.3 | D906 S910 | D906-G908 VanDerWaalsContact C-N 3.32Å; D906-G908 PolarHBondContact O-N 2.88Å; G908-S910 PolarHBondContact O-N 2.58Å; G908-S910 PolarHBondContact O-OG 2.9Å | ||
| 909 | Q | 37.2 | Very low | 50.9 | Low | 210 Ų | 210 | 96.3 Ų | 96.3 | 98% | 0.981 | 52% | 0.517 | S | S | * | . | S | Bend | trans | -51.8 | 53.6 | -173 | -65.8 | 179.1 | -33.1 | 0 | 0 | 115.9 | Y907 | Y907-Q909 PolarHBondContact O-N 3.23Š|
| 910 | S | 34.9 | Very low | 48.3 | Very low | 79 Ų | 79 | 99.8 Ų | 99.8 | 55% | 0.552 | 55% | 0.548 | S | S | * | . | trans | -95.4 | 111.9 | 163.4 | 59.4 | 0 | 0 | 0 | 0 | 105.4 | G908 L912 | G908-S910 PolarHBondContact O-N 2.58Å; G908-S910 PolarHBondContact O-OG 2.9Å; S910-L912 PolarHBondContact O-N 2.84Å | ||
| 911 | S | 29.3 | Very low | 45.8 | Very low | 120 Ų | 120 | 103.2 Ų | 103.2 | 84% | 0.839 | 57% | 0.569 | S | S | * | * | trans | -57.1 | 82.9 | 176.6 | 50.6 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 912 | L | 27.4 | Very low | 43.3 | Very low | 133 Ų | 133 | 106.8 Ų | 106.8 | 70% | 0.696 | 60% | 0.595 | S | S | * | * | trans | -108.2 | 94 | 162.7 | -88.3 | 157.4 | 0 | 0 | 0 | 106.6 | S910 I914 | S910-L912 PolarHBondContact O-N 2.84Å; L912-I914 PolarHBondContact O-N 3.2Å | ||
| 913 | N | 27.2 | Very low | 41.1 | Very low | 166 Ų | 166 | 115 Ų | 115 | 89% | 0.888 | 62% | 0.624 | S | S | * | * | trans | -65.3 | 66.8 | 168.8 | -83 | -26.5 | 0 | 0 | 0 | 110 | K915 | N913-K915 PolarHBondContact O-N 3.39Š| ||
| 914 | I | 28.5 | Very low | 39.1 | Very low | 121 Ų | 121 | 119 Ų | 119 | 62% | 0.621 | 64% | 0.639 | S | S | * | * | trans | -84.8 | 103.8 | 158.8 | -59.9 | 176 | 0 | 0 | 0 | 104.5 | L912 L916 | L912-I914 PolarHBondContact O-N 3.2Å; I914-L916 HydrophobicContact CG2-CG 4.41Å; I914-L916 PolarHBondContact O-N 3.2Å | ||
| 915 | K | 25.3 | Very low | 37.4 | Very low | 202 Ų | 202 | 126 Ų | 126 | 88% | 0.878 | 67% | 0.67 | S | S | * | * | trans | -59.6 | 85.4 | 163.9 | -83 | 179.6 | 174 | 178 | 0 | 107.6 | N913 N917 | N913-K915 PolarHBondContact O-N 3.39Å; K915-N917 PolarHBondContact O-N 2.85Å; K915-N917 VanDerWaalsContact O-N 3.12Å | ||
| 916 | L | 32.2 | Very low | 36.4 | Very low | 133 Ų | 133 | 125.8 Ų | 125.8 | 70% | 0.696 | 67% | 0.671 | S | S | * | * | trans | -64 | 108.1 | 158.9 | -82.8 | 128.1 | 0 | 0 | 0 | 105.4 | I914 | I914-L916 HydrophobicContact CG2-CG 4.41Å; I914-L916 PolarHBondContact O-N 3.2Å | ||
| 917 | N | 28.8 | Very low | 35.7 | Very low | 138 Ų | 138 | 127.9 Ų | 127.9 | 74% | 0.738 | 68% | 0.682 | S | S | * | * | trans | -47 | 145.8 | 164.1 | -77.6 | -24.6 | 0 | 0 | 0 | 108.4 | K915 T919 | K915-N917 PolarHBondContact O-N 2.85Å; K915-N917 VanDerWaalsContact O-N 3.12Å; N917-T919 PolarHBondContact O-N 2.94Å; N917-T919 PolarHBondContact O-OG1 2.82Å | ||
| 918 | N | 29 | Very low | 35.7 | Very low | 175 Ų | 175 | 119.2 Ų | 119.2 | 94% | 0.936 | 65% | 0.648 | S | S | * | * | S | Bend | trans | -53.9 | 29.1 | -171 | -75.9 | -14.8 | 0 | 0 | 0 | 118.1 | ||
| 919 | T | 30.3 | Very low | 36 | Very low | 111 Ų | 111 | 117.2 Ų | 117.2 | 68% | 0.681 | 62% | 0.624 | S | S | * | * | S | Bend | trans | -75.5 | 122.5 | 160.5 | 48.8 | 0 | 0 | 0 | 0 | 108.2 | N917 | N917-T919 PolarHBondContact O-N 2.94Å; N917-T919 PolarHBondContact O-OG1 2.82Å |
| 920 | A | 31.9 | Very low | 36.9 | Very low | 85 Ų | 85 | 110.2 Ų | 110.2 | 70% | 0.702 | 59% | 0.589 | S | S | * | * | trans | -40.4 | 145.3 | 178.1 | 0 | 0 | 0 | 0 | 0 | 112.5 | S922 | A920-S922 PolarHBondContact O-N 2.82Å; A920-S922 VanDerWaalsContact O-N 3.08Å | ||
| 921 | P | 33.6 | Very low | 37.7 | Very low | 108 Ų | 108 | 108.7 Ų | 108.7 | 70% | 0.701 | 58% | 0.578 | S | S | * | * | trans | -49.9 | 123.3 | 178.3 | 20.2 | -31.3 | 0 | 0 | 0 | 109.2 | R923 | P921-R923 PolarHBondContact O-N 3.42Š| ||
| 922 | S | 33.9 | Very low | 38.5 | Very low | 77 Ų | 77 | 107.9 Ų | 107.9 | 54% | 0.538 | 57% | 0.565 | S | S | . | * | trans | -58.2 | 103.1 | -178.5 | 51.2 | 0 | 0 | 0 | 0 | 108.7 | A920 Y924 | A920-S922 PolarHBondContact O-N 2.82Å; A920-S922 VanDerWaalsContact O-N 3.08Å; S922-Y924 WeakPolarHBondContact O-CD2 3.26Å; S922-Y924 PolarHBondContact O-N 2.82Å | ||
| 923 | R | 38.1 | Very low | 39.3 | Very low | 204 Ų | 204 | 107.4 Ų | 107.4 | 77% | 0.77 | 56% | 0.563 | S | S | * | * | trans | -65.4 | 116.3 | 166 | -77 | -177.6 | -177.1 | 164.6 | 2.3 | 106.9 | P921 Q925 | P921-R923 PolarHBondContact O-N 3.42Å; R923-Q925 PolarHBondContact O-N 2.8Å | ||
| 924 | Y | 42.4 | Very low | 40 | Very low | 105 Ų | 105 | 104 Ų | 104 | 41% | 0.412 | 55% | 0.549 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -77 | 113.6 | 171.3 | -67 | -88 | 0 | 0 | 0 | 107.8 | N902 I905 S922 | N902-Y924 WeakPolarHBondContact CA-O 3.24Å; I905-Y924 HydrophobicContact CD1-CD2 4.12Å; I905-Y924 HydrophobicContact CD1-CE2 3.54Å; I905-Y924 HydrophobicContact CG1-CD2 4.39Å; I905-Y924 HydrophobicContact CG1-CE2 4.18Å; S922-Y924 WeakPolarHBondContact O-CD2 3.26Å; S922-Y924 PolarHBondContact O-N 2.82Å |
| 925 | Q | 41.3 | Very low | 41.2 | Very low | 161 Ų | 161 | 100 Ų | 100 | 75% | 0.752 | 53% | 0.527 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -90.8 | 116.8 | 165.5 | -115.1 | 179.9 | 2.1 | 0 | 0 | 107 | N902 R923 | N902-Q925 WeakPolarHBondContact OD1-CA 3.33Å; N902-Q925 WeakPolarHBondContact OD1-CG 3.29Å; R923-Q925 PolarHBondContact O-N 2.8Å |
| 926 | V | 46.3 | Very low | 43.1 | Very low | 39 Ų | 39 | 98.1 Ų | 98.1 | 24% | 0.236 | 52% | 0.519 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -140.4 | 128.4 | 175.7 | -177.4 | 0 | 0 | 0 | 0 | 109 | Y928 | V926-Y928 VanDerWaalsContact C-N 3.27Å; V926-Y928 HydrophobicContact CB-CD1 4.28Å; V926-Y928 HydrophobicContact CB-CD2 3.85Å; V926-Y928 HydrophobicContact CB-CE1 3.87Å; V926-Y928 HydrophobicContact CB-CE2 3.43Å; V926-Y928 VanDerWaalsContact CB-CE2 3.43Å; V926-Y928 HydrophobicContact CB-CG 4.24Å; V926-Y928 HydrophobicContact CG1-CD1 3.79Å; V926-Y928 HydrophobicContact CG1-CD2 4.07Å; V926-Y928 HydrophobicContact CG1-CE1 3.69Å; V926-Y928 HydrophobicContact CG1-CE2 4.02Å; V926-Y928 HydrophobicContact CG1-CG 3.94Å; V926-Y928 HydrophobicContact CG2-CE1 4.26Å; V926-Y928 HydrophobicContact CG2-CE2 4.15Å; V926-Y928 VanDerWaalsContact CG2-OH 3.25Å; V926-Y928 WeakPolarHBondContact CG2-OH 3.42Å; V926-Y928 WeakPolarHBondContact O-CD2 3.44Å; V926-Y928 PolarHBondContact O-N 2.53Å; V926-Y928 VanDerWaalsContact O-N 3.08Å |
| 927 | N | 50.1 | Low | 45.1 | Very low | 72 Ų | 72 | 93 Ų | 93 | 39% | 0.385 | 49% | 0.493 | S | S | . | . | trans | -79.9 | 78.1 | 166.5 | -75.9 | -18.2 | 0 | 0 | 0 | 108.6 | F899 L929 Y930 | F899-N927 PolarHBondContact O-OD1 2.85Å; N927-L929 PolarHBondContact O-N 2.8Å; N927-Y930 PolarHBondContact O-N 3.22Å | ||
| 928 | Y | 55.8 | Low | 47.3 | Very low | 9 Ų | 9 | 89.1 Ų | 89.1 | 4% | 0.035 | 48% | 0.477 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -57.5 | -21.9 | -168.7 | -77.2 | -78.3 | 0 | 0 | 0 | 116.6 | F901 Y903 V926 Y930 Q935 | F901-Y928 HydrophobicContact CB-CD2 3.93Å; F901-Y928 HydrophobicContact CB-CE2 4.2Å; F901-Y928 AromaticContact CD1-CD2 3.77Å; F901-Y928 HydrophobicContact CD1-CD2 3.77Å; F901-Y928 AromaticContact CD1-CE2 3.52Å; F901-Y928 HydrophobicContact CD1-CE2 3.52Å; F901-Y928 HydrophobicContact CE1-CE2 4.4Å; F901-Y928 HydrophobicContact CG-CD2 4.36Å; F901-Y928 HydrophobicContact CG-CE2 4.32Å; Y903-Y928 HydrophobicContact CD1-CE2 4.33Å; Y903-Y928 AromaticContact CE1-CE2 3.72Å; Y903-Y928 HydrophobicContact CE1-CE2 3.72Å; Y903-Y928 AromaticContact CE1-CZ 3.45Å; Y903-Y928 VanDerWaalsContact CE1-CZ 3.45Å; Y903-Y928 WeakPolarHBondContact CE1-OH 2.99Å; Y903-Y928 VanDerWaalsContact CZ-OH 3.23Å; Y903-Y928 PolarHBondContact OH-OH 3.07Å; V926-Y928 VanDerWaalsContact C-N 3.27Å; V926-Y928 HydrophobicContact CB-CD1 4.28Å; V926-Y928 HydrophobicContact CB-CD2 3.85Å; V926-Y928 HydrophobicContact CB-CE1 3.87Å; V926-Y928 HydrophobicContact CB-CE2 3.43Å; V926-Y928 VanDerWaalsContact CB-CE2 3.43Å; V926-Y928 HydrophobicContact CB-CG 4.24Å; V926-Y928 HydrophobicContact CG1-CD1 3.79Å; V926-Y928 HydrophobicContact CG1-CD2 4.07Å; V926-Y928 HydrophobicContact CG1-CE1 3.69Å; V926-Y928 HydrophobicContact CG1-CE2 4.02Å; V926-Y928 HydrophobicContact CG1-CG 3.94Å; V926-Y928 HydrophobicContact CG2-CE1 4.26Å; V926-Y928 HydrophobicContact CG2-CE2 4.15Å; V926-Y928 VanDerWaalsContact CG2-OH 3.25Å; V926-Y928 WeakPolarHBondContact CG2-OH 3.42Å; V926-Y928 WeakPolarHBondContact O-CD2 3.44Å; V926-Y928 PolarHBondContact O-N 2.53Å; V926-Y928 VanDerWaalsContact O-N 3.08Å; Y928-Y930 PolarHBondContact O-N 2.78Å; Y928-Q935 VanDerWaalsContact CD1-OE1 3.28Å; Y928-Q935 VanDerWaalsContact CE1-CD 3.42Å; Y928-Q935 HydrophobicContact CE1-CG 4.31Å; Y928-Q935 VanDerWaalsContact CE1-OE1 3.24Å |
| 929 | L | 52.8 | Low | 49.5 | Very low | 14 Ų | 14 | 82.8 Ų | 82.8 | 7% | 0.073 | 44% | 0.443 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -68.2 | -19 | -178.1 | -69.4 | 172.4 | 0 | 0 | 0 | 113.4 | L749 I758 I760 F899 N927 V937 | L749-L929 HydrophobicContact CD1-CD1 3.86Å; L749-L929 HydrophobicContact CD1-CD2 4.49Å; I758-L929 HydrophobicContact CD1-CD2 4.11Å; I758-L929 HydrophobicContact CG2-CD2 3.72Å; I760-L929 HydrophobicContact CD1-CD2 4.43Å; F899-L929 HydrophobicContact CB-CD1 3.58Å; F899-L929 HydrophobicContact CB-CG 4.42Å; F899-L929 HydrophobicContact CD1-CD1 4.18Å; F899-L929 HydrophobicContact CD1-CG 4.11Å; F899-L929 HydrophobicContact CG-CD1 3.92Å; F899-L929 HydrophobicContact CG-CG 4.33Å; N927-L929 PolarHBondContact O-N 2.8Å; L929-V937 HydrophobicContact CD2-CG1 4.46Å |
| 930 | Y | 56.4 | Low | 51.8 | Low | 63 Ų | 63 | 80.1 Ų | 80.1 | 25% | 0.247 | 42% | 0.422 | C | S | . | . | S | Bend | trans | -130.8 | 1.1 | -169.3 | -54.5 | -79.1 | 0 | 0 | 0 | 114.1 | F547 L747 L749 N927 Y928 | F547-Y930 HydrophobicContact CZ-CE1 4.4Å; L747-Y930 HydrophobicContact CB-CE1 4.48Å; L747-Y930 HydrophobicContact CB-CE2 3.6Å; L747-Y930 WeakPolarHBondContact CB-OH 3.26Å; L747-Y930 HydrophobicContact CD1-CD1 4.42Å; L747-Y930 HydrophobicContact CD1-CD2 3.43Å; L747-Y930 VanDerWaalsContact CD1-CD2 3.43Å; L747-Y930 HydrophobicContact CD1-CE1 4.36Å; L747-Y930 HydrophobicContact CD1-CE2 3.35Å; L747-Y930 HydrophobicContact CD1-CG 4.01Å; L747-Y930 HydrophobicContact CG-CE2 4.04Å; L747-Y930 PolarHBondContact O-OH 2.86Å; L749-Y930 WeakPolarHBondContact CD2-OH 3.33Å; N927-Y930 PolarHBondContact O-N 3.22Å; Y928-Y930 PolarHBondContact O-N 2.78Å |
| 931 | S | 51.2 | Low | 54 | Low | 46 Ų | 46 | 77.5 Ų | 77.5 | 32% | 0.322 | 40% | 0.396 | S | S | . | . | trans | -84 | 133.5 | 179.2 | 60.6 | 0 | 0 | 0 | 0 | 111.6 | D933 | S931-D933 PolarHBondContact O-N 3.38Š| ||
| 932 | N | 45.4 | Very low | 56 | Low | 103 Ų | 103 | 73 Ų | 73 | 55% | 0.551 | 37% | 0.366 | S | S | * | . | trans | -70.1 | -15 | 169.2 | -71.8 | -21.5 | 0 | 0 | 0 | 113 | N694 T934 | N694-N932 PolarHBondContact OD1-ND2 3.33Å; N932-T934 PolarHBondContact O-N 3Å | ||
| 933 | D | 44.8 | Very low | 57.9 | Low | 123 Ų | 123 | 71.8 Ų | 71.8 | 66% | 0.658 | 35% | 0.352 | S | S | * | . | S | Bend | trans | -78.5 | 109.1 | -173.4 | -73.8 | -24.3 | 0 | 0 | 0 | 112.5 | S931 Q935 | S931-D933 PolarHBondContact O-N 3.38Å; D933-Q935 PolarHBondContact O-N 3.35Å; D933-Q935 VanDerWaalsContact O-N 3.1Å |
| 934 | T | 42.5 | Very low | 59.6 | Low | 96 Ų | 96 | 64 Ų | 64 | 59% | 0.589 | 33% | 0.325 | S | S | * | . | S | Bend | trans | 50.6 | 32.5 | 148.8 | 67.7 | 0 | 0 | 0 | 0 | 120.3 | E763 N932 | E763-T934 WeakPolarHBondContact CG-O 3.43Å; N932-T934 PolarHBondContact O-N 3Å |
| 935 | Q | 52.2 | Low | 61.3 | Low | 37 Ų | 37 | 59.2 Ų | 59.2 | 17% | 0.173 | 31% | 0.308 | C | S | . | . | trans | -140.8 | 144.2 | 164.1 | -65.8 | -170.2 | 1.3 | 0 | 0 | 113.2 | E763 Y903 Y928 D933 V937 | E763-Q935 HydrophobicContact CG-CG 4.3Å; Y903-Q935 PolarHBondContact OH-NE2 3.32Å; Y928-Q935 VanDerWaalsContact CD1-OE1 3.28Å; Y928-Q935 VanDerWaalsContact CE1-CD 3.42Å; Y928-Q935 HydrophobicContact CE1-CG 4.31Å; Y928-Q935 VanDerWaalsContact CE1-OE1 3.24Å; D933-Q935 PolarHBondContact O-N 3.35Å; D933-Q935 VanDerWaalsContact O-N 3.1Å; Q935-V937 PolarHBondContact O-N 2.59Å | ||
| 936 | K | 65.5 | Low | 63.2 | Low | 162 Ų | 162 | 53.3 Ų | 53.3 | 70% | 0.704 | 28% | 0.284 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -79.7 | 85.9 | 178.2 | -70.8 | 179.9 | -177.8 | 175 | 0 | 110 | Q761 | Q761-K936 HydrophobicContact CB-CB 4.47Å; Q761-K936 PolarHBondContact N-O 3.08Å |
| 937 | V | 74.2 | Confident | 64.1 | Low | 25 Ų | 25 | 54.7 Ų | 54.7 | 15% | 0.152 | 29% | 0.288 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -81.7 | 129.3 | 164.6 | -176 | 0 | 0 | 0 | 0 | 108.4 | I758 E759 I760 L929 Q935 L939 | I758-V937 HydrophobicContact CG2-CG1 4.2Å; E759-V937 CarbonylContact O-C 3.44Å; E759-V937 WeakPolarHBondContact O-CA 3.49Å; I760-V937 HydrophobicContact CG1-CG1 4.37Å; I760-V937 HydrophobicContact CG1-CG2 4.33Å; I760-V937 HydrophobicContact CG2-CG2 4.43Å; L929-V937 HydrophobicContact CD2-CG1 4.46Å; Q935-V937 PolarHBondContact O-N 2.59Å; V937-L939 HydrophobicContact CG1-CD1 3.86Å; V937-L939 HydrophobicContact CG1-CG 4.4Å |
| 938 | S | 76.1 | Confident | 64.9 | Low | 56 Ų | 56 | 52.8 Ų | 52.8 | 39% | 0.392 | 28% | 0.276 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.2 | 131.3 | 172.4 | 83.3 | 0 | 0 | 0 | 0 | 110.3 | I758 E759 | I758-S938 CarbonylContact C-O 3.55Å; I758-S938 WeakPolarHBondContact CA-O 3.08Å; E759-S938 WeakPolarHBondContact CB-OG 3.29Å; E759-S938 PolarHBondContact N-O 3.3Å; E759-S938 PolarHBondContact O-N 2.92Å |
| 939 | L | 75.4 | Confident | 64.6 | Low | 42 Ų | 42 | 54.4 Ų | 54.4 | 22% | 0.22 | 29% | 0.289 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.9 | 138 | 179.4 | -59.3 | 97.1 | 0 | 0 | 0 | 109.8 | I690 I758 V937 I942 | I690-L939 HydrophobicContact CB-CD1 3.94Å; I690-L939 HydrophobicContact CD1-CB 4.1Å; I690-L939 HydrophobicContact CD1-CD1 3.74Å; I690-L939 HydrophobicContact CD1-CD2 3.45Å; I690-L939 VanDerWaalsContact CD1-CD2 3.45Å; I690-L939 HydrophobicContact CD1-CG 3.95Å; I690-L939 HydrophobicContact CG1-CD1 4.42Å; I690-L939 HydrophobicContact CG2-CD1 3.76Å; I758-L939 HydrophobicContact CD1-CD2 4.21Å; I758-L939 HydrophobicContact CG1-CD2 4.12Å; I758-L939 HydrophobicContact CG1-CG 4.42Å; V937-L939 HydrophobicContact CG1-CD1 3.86Å; V937-L939 HydrophobicContact CG1-CG 4.4Å; L939-I942 HydrophobicContact CB-CB 4.46Å; L939-I942 HydrophobicContact CB-CG1 4.22Å; L939-I942 HydrophobicContact CD2-CB 4.25Å; L939-I942 HydrophobicContact CD2-CG1 4.28Å; L939-I942 HydrophobicContact CD2-CG2 4.2Å |
| 940 | H | 78.9 | Confident | 64.4 | Low | 56 Ų | 56 | 55.1 Ų | 55.1 | 26% | 0.259 | 29% | 0.293 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.6 | 125.8 | 178.6 | -172.4 | 55.4 | 0 | 0 | 0 | 110.3 | D755 S756 T757 I942 | D755-H940 PolarHBondContact O-CD2 2.84Å; D755-H940 IonicContact OD2-NE2 3.97Å; S756-H940 CarbonylContact C-O 3.5Å; S756-H940 VanDerWaalsContact CA-O 3.28Å; S756-H940 WeakPolarHBondContact CA-O 3.45Å; T757-H940 HydrophobicContact CG2-CB 3.66Å; T757-H940 PolarHBondContact N-O 3.15Å; T757-H940 PolarHBondContact O-N 3.16Å; H940-I942 WeakPolarHBondContact O-CG1 3.34Å; H940-I942 PolarHBondContact O-N 2.79Å |
| 941 | N | 77.4 | Confident | 63.7 | Low | 29 Ų | 29 | 58.2 Ų | 58.2 | 16% | 0.155 | 32% | 0.318 | C | S | . | . | S | Bend | trans | 51 | 38.6 | -179.6 | -62 | -14.5 | 0 | 0 | 0 | 113.9 | D755 S756 | D755-N941 PolarHBondContact OD1-ND2 2.84Å; D755-N941 PolarHBondContact OD2-ND2 2.85Å; S756-N941 WeakPolarHBondContact CB-O 3.21Å; S756-N941 PolarHBondContact OG-O 2.86Å |
| 942 | I | 75 | Confident | 63.3 | Low | 13 Ų | 13 | 65 Ų | 65 | 7% | 0.067 | 34% | 0.342 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.8 | 140.2 | 175.7 | -56.5 | -60 | 0 | 0 | 0 | 109.6 | L749 F751 I758 L939 H940 | L749-I942 HydrophobicContact CB-CG2 3.93Å; L749-I942 HydrophobicContact CD1-CG2 4.27Å; L749-I942 HydrophobicContact CD2-CG2 4.03Å; L749-I942 HydrophobicContact CG-CG2 4.31Å; F751-I942 HydrophobicContact CD1-CD1 3.44Å; F751-I942 VanDerWaalsContact CD1-CD1 3.44Å; F751-I942 HydrophobicContact CD2-CD1 4.07Å; F751-I942 HydrophobicContact CE1-CD1 3.36Å; F751-I942 HydrophobicContact CE2-CD1 4.01Å; F751-I942 HydrophobicContact CG-CD1 3.8Å; F751-I942 HydrophobicContact CZ-CD1 3.67Å; I758-I942 HydrophobicContact CD1-CD1 4.45Å; I758-I942 HydrophobicContact CD1-CG1 4.42Å; I758-I942 HydrophobicContact CG1-CD1 3.97Å; I758-I942 HydrophobicContact CG1-CG1 3.85Å; L939-I942 HydrophobicContact CB-CB 4.46Å; L939-I942 HydrophobicContact CB-CG1 4.22Å; L939-I942 HydrophobicContact CD2-CB 4.25Å; L939-I942 HydrophobicContact CD2-CG1 4.28Å; L939-I942 HydrophobicContact CD2-CG2 4.2Å; H940-I942 WeakPolarHBondContact O-CG1 3.34Å; H940-I942 PolarHBondContact O-N 2.79Å |
| 943 | Q | 74.5 | Confident | 63 | Low | 53 Ų | 53 | 66.5 Ų | 66.5 | 25% | 0.248 | 35% | 0.345 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.2 | 145.5 | 173 | 177.4 | 179.1 | -5.5 | 0 | 0 | 110.1 | L749 T750 N752 H947 | L749-Q943 CarbonylContact C-O 3.52Å; L749-Q943 WeakPolarHBondContact CA-O 3.41Å; T750-Q943 PolarHBondContact N-O 3.28Å; T750-Q943 PolarHBondContact O-N 3.27Å; N752-Q943 PolarHBondContact ND2-OE1 3.07Å; Q943-H947 PolarHBondContact NE2-CD2 3.37Å; Q943-H947 PolarHBondContact NE2-NE2 3.06Å |
| 944 | M | 73.9 | Confident | 62.8 | Low | 39 Ų | 39 | 67.8 Ų | 67.8 | 19% | 0.192 | 35% | 0.351 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -80.4 | 143.7 | 177.3 | -50.3 | -178.8 | 93.8 | 0 | 0 | 110.5 | F547 L693 H947 | F547-M944 HydrophobicContact CD1-CB 4.09Å; F547-M944 HydrophobicContact CD1-CE 4.29Å; F547-M944 HydrophobicContact CD2-CB 4.3Å; F547-M944 HydrophobicContact CE1-CB 3.93Å; F547-M944 HydrophobicContact CE1-CE 3.21Å; F547-M944 HydrophobicContact CE1-CG 4.38Å; F547-M944 HydrophobicContact CE1-SD 4.06Å; F547-M944 HydrophobicContact CE2-CB 4.09Å; F547-M944 HydrophobicContact CG-CB 4.31Å; F547-M944 HydrophobicContact CZ-CB 3.94Å; F547-M944 HydrophobicContact CZ-CE 3.45Å; F547-M944 VanDerWaalsContact CZ-CE 3.45Å; F547-M944 HydrophobicContact CZ-CG 4.38Å; L693-M944 HydrophobicContact CD1-CE 3.39Å; L693-M944 HydrophobicContact CD1-SD 3.99Å; M944-H947 PolarHBondContact O-CD2 2.88Å; M944-H947 VanDerWaalsContact O-CD2 3.3Å; M944-H947 PolarHBondContact O-NE2 3.15Å |
| 945 | G | 77.3 | Confident | 63 | Low | 5 Ų | 5 | 66.7 Ų | 66.7 | 5% | 0.052 | 34% | 0.342 | C | S | . | . | S | Bend | trans | 87.4 | 166.5 | -169 | 0 | 0 | 0 | 0 | 0 | 112 | P748 T750 | P748-G945 CarbonylContact O-C 3.57Å; P748-G945 VanDerWaalsContact O-CA 3.32Å; P748-G945 WeakPolarHBondContact O-CA 3.37Å; P748-G945 PolarHBondContact O-N 2.69Å; T750-G945 WeakPolarHBondContact CB-O 3.44Å; T750-G945 PolarHBondContact N-O 2.85Å; T750-G945 PolarHBondContact OG1-O 2.91Å |
| 946 | C | 81 | Confident | 62.9 | Low | 38 Ų | 38 | 66 Ų | 66 | 26% | 0.257 | 34% | 0.339 | S | S | . | . | trans | -104.2 | 106.8 | 168.7 | -175.1 | 0 | 0 | 0 | 0 | 110.3 | P748 T750 W829 C895 | P748-C946 HydrophobicContact CB-CB 3.98Å; P748-C946 HydrophobicContact CG-CB 4.48Å; T750-C946 VanDerWaalsContact OG1-CA 3.31Å; T750-C946 WeakPolarHBondContact OG1-CA 3.49Å; W829-C946 HydrophobicContact CZ2-CB 4.23Å; C895-C946 HydrophobicContact CB-CB 3.78Å; C895-C946 WeakPolarHBondContact CB-SG 3.31Å; C895-C946 WeakPolarHBondContact SG-CA 3.43Å; C895-C946 WeakPolarHBondContact SG-CB 3.12Å; C895-C946 CovalentContact SG-SG 2.04Å; C895-C946 PolarHBondContact SG-SG 2.68Å | ||
| 947 | H | 66.9 | Low | 62.7 | Low | 67 Ų | 67 | 60.9 Ų | 60.9 | 31% | 0.31 | 32% | 0.319 | S | S | . | . | trans | -114.1 | 74.9 | -170 | -62.1 | -77.9 | 0 | 0 | 0 | 112.9 | T750 Q943 M944 | T750-H947 PolarHBondContact OG1-N 2.95Å; Q943-H947 PolarHBondContact NE2-CD2 3.37Å; Q943-H947 PolarHBondContact NE2-NE2 3.06Å; M944-H947 PolarHBondContact O-CD2 2.88Å; M944-H947 VanDerWaalsContact O-CD2 3.3Å; M944-H947 PolarHBondContact O-NE2 3.15Å | ||
| 948 | F | 65.1 | Low | 62.3 | Low | 33 Ų | 33 | 64 Ų | 64 | 15% | 0.145 | 33% | 0.332 | C | S | . | . | trans | -143.6 | 127.1 | 169.1 | -54.9 | -63 | 0 | 0 | 0 | 111.4 | T750 K778 D950 | T750-F948 HydrophobicContact CG2-CE1 4.05Å; T750-F948 HydrophobicContact CG2-CE2 3.61Å; T750-F948 HydrophobicContact CG2-CZ 3.29Å; K778-F948 HydrophobicContact CB-CD2 4.45Å; K778-F948 HydrophobicContact CB-CE2 4.45Å; K778-F948 HydrophobicContact CD-CD1 3.54Å; K778-F948 HydrophobicContact CD-CD2 4.34Å; K778-F948 HydrophobicContact CD-CE1 3.52Å; K778-F948 HydrophobicContact CD-CE2 4.29Å; K778-F948 HydrophobicContact CD-CG 3.97Å; K778-F948 HydrophobicContact CD-CZ 3.88Å; K778-F948 VanDerWaalsContact NZ-CD1 3.29Å; K778-F948 VanDerWaalsContact NZ-CE1 3.26Å; F948-D950 PolarHBondContact O-N 3.33Å | ||
| 949 | S | 49.7 | Very low | 62.1 | Low | 43 Ų | 43 | 63 Ų | 63 | 30% | 0.301 | 33% | 0.325 | S | S | . | . | trans | -66.3 | 116.2 | -175.3 | 52.9 | 0 | 0 | 0 | 0 | 112.9 | R827 E961 | R827-S949 PolarHBondContact NH1-O 3.39Å; S949-E961 PolarHBondContact OG-OE1 3.32Å; S949-E961 VanDerWaalsContact OG-OE1 3.1Å | ||
| 950 | D | 48.4 | Very low | 61.6 | Low | 29 Ų | 29 | 62.9 Ų | 62.9 | 16% | 0.155 | 33% | 0.328 | C | S | . | . | trans | -83.2 | 112.1 | 166.9 | -84.4 | -27.8 | 0 | 0 | 0 | 110.1 | K776 R827 F948 K952 D955 | K776-D950 IonicContact NZ-OD2 2.64Å; K776-D950 PolarHBondContact NZ-OD2 2.93Å; R827-D950 WeakPolarHBondContact CB-OD1 3.38Å; R827-D950 WeakPolarHBondContact CD-OD1 3.19Å; R827-D950 IonicContact NH1-OD1 3.38Å; F948-D950 PolarHBondContact O-N 3.33Å; D950-K952 PolarHBondContact O-N 3.46Å; D950-D955 HydrophobicContact CB-CB 4.44Å | ||
| 951 | T | 43.3 | Very low | 60.8 | Low | 128 Ų | 128 | 66.7 Ų | 66.7 | 79% | 0.785 | 35% | 0.346 | S | S | * | . | S | Bend | trans | -75.9 | -6.1 | 176.3 | 49.6 | 0 | 0 | 0 | 0 | 113.3 | ||
| 952 | K | 42.5 | Very low | 60.5 | Low | 187 Ų | 187 | 69.3 Ų | 69.3 | 81% | 0.813 | 36% | 0.359 | S | S | * | . | S | Bend | trans | -118.5 | -19.3 | -171.9 | -79.1 | -170.6 | 175.8 | -176.8 | 0 | 116 | D950 | D950-K952 PolarHBondContact O-N 3.46Š|
| 953 | H | 39.4 | Very low | 60.7 | Low | 136 Ų | 136 | 70.9 Ų | 70.9 | 63% | 0.63 | 37% | 0.371 | S | S | * | . | S | Bend | trans | -119.4 | 141.2 | 173 | -69.7 | -69.9 | 0 | 0 | 0 | 107.3 | D955 | H953-D955 PolarHBondContact O-N 2.98Š|
| 954 | L | 39.6 | Very low | 61.1 | Low | 149 Ų | 149 | 68.9 Ų | 68.9 | 78% | 0.78 | 36% | 0.362 | S | S | * | . | trans | -63.7 | 73 | 170.1 | -75.6 | 90.7 | 0 | 0 | 0 | 108.4 | M956 | L954-M956 PolarHBondContact O-N 3.24Š| ||
| 955 | D | 47.1 | Very low | 61.6 | Low | 73 Ų | 73 | 74.2 Ų | 74.2 | 39% | 0.39 | 38% | 0.38 | S | S | . | . | trans | -67.4 | 111.8 | 158.8 | -100.7 | -12.1 | 0 | 0 | 0 | 104.8 | K776 D950 H953 N957 | K776-D955 IonicContact NZ-OD2 3.27Å; K776-D955 PolarHBondContact NZ-OD2 2.9Å; D950-D955 HydrophobicContact CB-CB 4.44Å; H953-D955 PolarHBondContact O-N 2.98Å; D955-N957 PolarHBondContact O-N 3.2Å | ||
| 956 | M | 50.8 | Low | 61.7 | Low | 22 Ų | 22 | 75.5 Ų | 75.5 | 11% | 0.108 | 38% | 0.384 | C | S | . | . | S | Bend | trans | -54.6 | -28.5 | -175.2 | -59.9 | -65.7 | -110.7 | 0 | 0 | 111.5 | L954 Q958 Q972 W974 D975 | L954-M956 PolarHBondContact O-N 3.24Å; M956-Q958 VanDerWaalsContact C-N 3.27Å; M956-Q958 PolarHBondContact O-N 3.04Å; M956-Q972 PolarHBondContact O-NE2 3.26Å; M956-Q972 PolarHBondContact O-OE1 3.43Å; M956-W974 HydrophobicContact CE-CD2 4.01Å; M956-W974 HydrophobicContact CE-CG 3.73Å; M956-W974 VanDerWaalsContact CE-NE1 3.31Å; M956-W974 WeakPolarHBondContact CE-O 3.44Å; M956-D975 WeakPolarHBondContact CE-OD1 3.38Å |
| 957 | N | 60.7 | Low | 61.4 | Low | 55 Ų | 55 | 77.9 Ų | 77.9 | 29% | 0.294 | 40% | 0.395 | S | S | . | . | trans | -76.8 | 65.6 | -175.6 | -73.4 | -16.6 | 0 | 0 | 0 | 114.1 | T735 D955 C959 S960 Q972 | T735-N957 PolarHBondContact O-OD1 3.06Å; D955-N957 PolarHBondContact O-N 3.2Å; N957-C959 PolarHBondContact O-N 2.93Å; N957-C959 VanDerWaalsContact O-N 3.17Å; N957-S960 PolarHBondContact O-N 3.34Å; N957-Q972 VanDerWaalsContact CA-OE1 3.27Å | ||
| 958 | Q | 65.3 | Low | 62.1 | Low | 92 Ų | 92 | 74.7 Ų | 74.7 | 43% | 0.43 | 38% | 0.38 | S | S | . | . | G | 310 helix | trans | -59.2 | -16.2 | 169.1 | -72.2 | 174.2 | 17.9 | 0 | 0 | 113.4 | M956 S960 V977 | M956-Q958 VanDerWaalsContact C-N 3.27Å; M956-Q958 PolarHBondContact O-N 3.04Å; Q958-S960 PolarHBondContact O-N 2.87Å; Q958-V977 HydrophobicContact CB-CB 4.48Å; Q958-V977 HydrophobicContact CB-CG1 3.28Å; Q958-V977 HydrophobicContact CB-CG2 4.46Å; Q958-V977 HydrophobicContact CG-CG1 4.35Å |
| 959 | C | 73 | Confident | 62.8 | Low | 35 Ų | 35 | 75.9 Ų | 75.9 | 24% | 0.236 | 39% | 0.387 | C | S | . | . | G | 310 helix | trans | -73.7 | 0.3 | 172.7 | -69.3 | 0 | 0 | 0 | 0 | 115.2 | N957 E961 C970 Q972 | N957-C959 PolarHBondContact O-N 2.93Å; N957-C959 VanDerWaalsContact O-N 3.17Å; C959-E961 VanDerWaalsContact C-N 3.31Å; C959-E961 PolarHBondContact O-N 3.29Å; C959-C970 WeakPolarHBondContact CA-SG 3.48Å; C959-C970 HydrophobicContact CB-CB 3.71Å; C959-C970 WeakPolarHBondContact CB-SG 3.26Å; C959-C970 VanDerWaalsContact SG-C 3.6Å; C959-C970 WeakPolarHBondContact SG-CB 2.99Å; C959-C970 CovalentContact SG-SG 2.04Å; C959-C970 PolarHBondContact SG-SG 2.04Å; C959-Q972 VanDerWaalsContact N-OE1 3.08Å |
| 960 | S | 64.9 | Low | 64.3 | Low | 39 Ų | 39 | 74.8 Ų | 74.8 | 27% | 0.273 | 38% | 0.379 | S | S | . | . | G | 310 helix | trans | -60.8 | -38.7 | 178.8 | 67.4 | 0 | 0 | 0 | 0 | 113.3 | N957 Q958 | N957-S960 PolarHBondContact O-N 3.34Å; Q958-S960 PolarHBondContact O-N 2.87Å |
| 961 | E | 62 | Low | 65.9 | Low | 136 Ų | 136 | 73.7 Ų | 73.7 | 64% | 0.636 | 37% | 0.374 | S | S | * | . | S | Bend | trans | -105.9 | 104.3 | 165.8 | -71.3 | 176.7 | -154.5 | 0 | 0 | 105.3 | S949 C959 P963 | S949-E961 PolarHBondContact OG-OE1 3.32Å; S949-E961 VanDerWaalsContact OG-OE1 3.1Å; C959-E961 VanDerWaalsContact C-N 3.31Å; C959-E961 PolarHBondContact O-N 3.29Å; E961-P963 WeakPolarHBondContact O-CD 2.89Å |
| 962 | N | 71 | Confident | 67.8 | Low | 83 Ų | 83 | 67.6 Ų | 67.6 | 44% | 0.444 | 34% | 0.336 | S | S | . | . | trans | -54.7 | 108.7 | -176.9 | -177.2 | -1.9 | 0 | 0 | 0 | 109.6 | C964 G968 | N962-C964 PolarHBondContact O-N 3.25Å; N962-C964 WeakPolarHBondContact OD1-CB 3.45Å; N962-C964 PolarHBondContact OD1-N 3.47Å; N962-C964 PolarHBondContact OD1-SG 3.29Å; N962-G968 PolarHBondContact ND2-O 3.3Å; N962-G968 PolarHBondContact OD1-O 2.87Å | ||
| 963 | P | 78.9 | Confident | 69.8 | Low | 47 Ų | 47 | 59 Ų | 59 | 31% | 0.305 | 30% | 0.299 | S | S | . | . | trans | -79.9 | -7.3 | -175.5 | 33.9 | -33.6 | 0 | 0 | 0 | 111.7 | E961 C970 V977 F990 | E961-P963 WeakPolarHBondContact O-CD 2.89Å; P963-C970 WeakPolarHBondContact CD-SG 3.34Å; P963-V977 HydrophobicContact CG-CG2 4.08Å; P963-F990 HydrophobicContact CB-CD1 4.07Å; P963-F990 HydrophobicContact CB-CE1 4.06Å; P963-F990 HydrophobicContact CG-CD1 4.37Å; P963-F990 HydrophobicContact CG-CE1 4.3Å | ||
| 964 | C | 83 | Confident | 71.8 | Confident | 11 Ų | 11 | 53 Ų | 53 | 7% | 0.074 | 27% | 0.271 | C | S | . | . | trans | -80.5 | 132.3 | -175.9 | -48.3 | 0 | 0 | 0 | 0 | 110.8 | N962 G968 C970 C979 | N962-C964 PolarHBondContact O-N 3.25Å; N962-C964 WeakPolarHBondContact OD1-CB 3.45Å; N962-C964 PolarHBondContact OD1-N 3.47Å; N962-C964 PolarHBondContact OD1-SG 3.29Å; C964-G968 WeakPolarHBondContact CB-O 3.25Å; C964-C970 VanDerWaalsContact SG-CA 3.52Å; C964-C979 WeakPolarHBondContact CA-SG 3.34Å; C964-C979 HydrophobicContact CB-CB 3.74Å; C964-C979 WeakPolarHBondContact CB-SG 3.09Å; C964-C979 WeakPolarHBondContact SG-CB 3.38Å; C964-C979 CovalentContact SG-SG 2.02Å; C964-C979 PolarHBondContact SG-SG 3.07Å | ||
| 965 | R | 83.4 | Confident | 73.6 | Confident | 151 Ų | 151 | 48.4 Ų | 48.4 | 57% | 0.57 | 25% | 0.247 | S | C | * | . | S | Bend | trans | -77.9 | 158.3 | 176.6 | -65.4 | -170.5 | 171.3 | -176.6 | -2.4 | 111.4 | N967 G968 F990 | R965-N967 VanDerWaalsContact C-N 3.3Å; R965-N967 PolarHBondContact O-N 2.84Å; R965-G968 PolarHBondContact O-N 3.38Å; R965-F990 PolarHBondContact N-O 2.8Å |
| 966 | F | 80.2 | Confident | 75.1 | Confident | 31 Ų | 31 | 46.1 Ų | 46.1 | 14% | 0.136 | 24% | 0.236 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 54 | 42.4 | 174 | -49.2 | -69.8 | 0 | 0 | 0 | 113.5 | G968 T984 F986 C991 I1090 F1106 M1198 | F966-G968 PolarHBondContact O-N 3.44Å; F966-T984 HydrophobicContact CB-CG2 4.44Å; F966-T984 WeakPolarHBondContact O-CG2 3.13Å; F966-F986 HydrophobicContact CB-CD2 4.3Å; F966-F986 HydrophobicContact CB-CE2 4.49Å; F966-F986 HydrophobicContact CD1-CE2 4.44Å; F966-F986 HydrophobicContact CD2-CD1 4.11Å; F966-F986 AromaticContact CD2-CD2 3.58Å; F966-F986 HydrophobicContact CD2-CD2 3.58Å; F966-F986 HydrophobicContact CD2-CE1 4.23Å; F966-F986 AromaticContact CD2-CE2 3.73Å; F966-F986 HydrophobicContact CD2-CE2 3.73Å; F966-F986 AromaticContact CD2-CG 3.84Å; F966-F986 HydrophobicContact CD2-CG 3.84Å; F966-F986 HydrophobicContact CD2-CZ 4.08Å; F966-F986 AromaticContact CE2-CD1 3.9Å; F966-F986 HydrophobicContact CE2-CD1 3.9Å; F966-F986 HydrophobicContact CE2-CD2 4.11Å; F966-F986 AromaticContact CE2-CE1 3.77Å; F966-F986 HydrophobicContact CE2-CE1 3.77Å; F966-F986 HydrophobicContact CE2-CE2 4.01Å; F966-F986 HydrophobicContact CE2-CG 4.11Å; F966-F986 AromaticContact CE2-CZ 3.86Å; F966-F986 HydrophobicContact CE2-CZ 3.86Å; F966-F986 HydrophobicContact CG-CD2 4.05Å; F966-F986 AromaticContact CG-CE2 3.98Å; F966-F986 HydrophobicContact CG-CE2 3.98Å; F966-F986 HydrophobicContact CZ-CE1 4.27Å; F966-F986 HydrophobicContact CZ-CE2 4.48Å; F966-F986 HydrophobicContact CZ-CZ 4.13Å; F966-C991 VanDerWaalsContact CD2-O 3.32Å; F966-C991 WeakPolarHBondContact CD2-O 3.23Å; F966-I1090 HydrophobicContact CB-CD1 4.08Å; F966-I1090 HydrophobicContact CD1-CD1 4.41Å; F966-I1090 HydrophobicContact CG-CD1 4.4Å; F966-F1106 VanDerWaalsContact C-CZ 3.46Å; F966-F1106 HydrophobicContact CB-CE2 4.16Å; F966-F1106 HydrophobicContact CB-CZ 3.82Å; F966-F1106 VanDerWaalsContact O-CE1 3.26Å; F966-F1106 WeakPolarHBondContact O-CE1 3.44Å; F966-F1106 WeakPolarHBondContact O-CZ 3.09Å; F966-M1198 HydrophobicContact CD1-CE 4.42Å; F966-M1198 HydrophobicContact CE1-CE 3.48Å; F966-M1198 VanDerWaalsContact CE1-CE 3.48Å; F966-M1198 HydrophobicContact CE2-CE 4.34Å; F966-M1198 HydrophobicContact CZ-CE 3.43Å; F966-M1198 VanDerWaalsContact CZ-CE 3.43Å |
| 967 | N | 74.8 | Confident | 76.5 | Confident | 88 Ų | 88 | 45.5 Ų | 45.5 | 47% | 0.471 | 23% | 0.234 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 56.7 | 31.4 | -176.8 | -61.5 | 11.7 | 0 | 0 | 0 | 114.2 | R965 F1106 | R965-N967 VanDerWaalsContact C-N 3.3Å; R965-N967 PolarHBondContact O-N 2.84Å; N967-F1106 HydrophobicContact CB-CD1 3.93Å; N967-F1106 HydrophobicContact CB-CE1 3.71Å; N967-F1106 HydrophobicContact CB-CZ 4.38Å; N967-F1106 WeakPolarHBondContact ND2-CD1 3.19Å |
| 968 | G | 80.8 | Confident | 77.6 | Confident | 1 Ų | 1 | 43.2 Ų | 43.2 | 1% | 0.01 | 22% | 0.222 | C | C | . | . | P | Polyproline II helix | trans | -56.8 | 148.3 | 165.8 | 0 | 0 | 0 | 0 | 0 | 110.9 | N962 C964 R965 F966 | N962-G968 PolarHBondContact ND2-O 3.3Å; N962-G968 PolarHBondContact OD1-O 2.87Å; C964-G968 WeakPolarHBondContact CB-O 3.25Å; R965-G968 PolarHBondContact O-N 3.38Å; F966-G968 PolarHBondContact O-N 3.44Å |
| 969 | I | 80 | Confident | 78.5 | Confident | 57 Ų | 57 | 39.5 Ų | 39.5 | 29% | 0.292 | 21% | 0.206 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -87 | 121.3 | -179.6 | -59.1 | 169.3 | 0 | 0 | 0 | 107.6 | L676 M971 C979 D980 L983 | L676-I969 HydrophobicContact CD1-CD1 4.28Å; L676-I969 HydrophobicContact CD2-CD1 3.91Å; L676-I969 HydrophobicContact CD2-CG1 4.38Å; I969-M971 PolarHBondContact O-N 3Å; I969-C979 WeakPolarHBondContact O-CA 3.28Å; I969-D980 HydrophobicContact CB-CB 4.21Å; I969-D980 PolarHBondContact N-O 3.48Å; I969-D980 PolarHBondContact O-N 3.4Å; I969-L983 HydrophobicContact CD1-CD1 4.21Å |
| 970 | C | 81.8 | Confident | 79.1 | Confident | 20 Ų | 20 | 38.9 Ų | 38.9 | 14% | 0.135 | 20% | 0.201 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -70.6 | 126.8 | 174.7 | -170.7 | 0 | 0 | 0 | 0 | 110 | C959 P963 C964 | C959-C970 WeakPolarHBondContact CA-SG 3.48Å; C959-C970 HydrophobicContact CB-CB 3.71Å; C959-C970 WeakPolarHBondContact CB-SG 3.26Å; C959-C970 VanDerWaalsContact SG-C 3.6Å; C959-C970 WeakPolarHBondContact SG-CB 2.99Å; C959-C970 CovalentContact SG-SG 2.04Å; C959-C970 PolarHBondContact SG-SG 2.04Å; P963-C970 WeakPolarHBondContact CD-SG 3.34Å; C964-C970 VanDerWaalsContact SG-CA 3.52Å |
| 971 | M | 81.7 | Confident | 80.2 | Confident | 7 Ų | 7 | 37.9 Ų | 37.9 | 3% | 0.034 | 19% | 0.193 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.1 | 123.2 | 170.9 | -60.2 | -168.5 | -56 | 0 | 0 | 108.2 | K553 D733 I969 T978 D980 | K553-M971 PolarHBondContact NZ-SD 2.98Å; D733-M971 HydrophobicContact CB-CB 4.33Å; I969-M971 PolarHBondContact O-N 3Å; M971-T978 WeakPolarHBondContact CE-OG1 3.47Å; M971-T978 PolarHBondContact N-O 3.09Å; M971-T978 PolarHBondContact O-N 3.46Å; M971-D980 HydrophobicContact CE-CB 4.43Å; M971-D980 HydrophobicContact CG-CB 4.17Å; M971-D980 HydrophobicContact SD-CB 3.94Å |
| 972 | Q | 82.7 | Confident | 81.3 | Confident | 0 Ų | 0 | 32 Ų | 32 | 0% | 0 | 17% | 0.167 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -83.4 | 130.8 | 179.9 | -171.9 | 56.8 | 65.8 | 0 | 0 | 109.5 | D733 I734 T735 M956 N957 C959 S976 | D733-Q972 CarbonylContact C-O 3.56Å; D733-Q972 VanDerWaalsContact CA-O 3.24Å; D733-Q972 WeakPolarHBondContact CA-O 3.48Å; D733-Q972 PolarHBondContact OD1-N 3.26Å; I734-Q972 PolarHBondContact N-O 3.41Å; I734-Q972 WeakPolarHBondContact O-CB 3.37Å; I734-Q972 WeakPolarHBondContact O-CG 3.5Å; T735-Q972 HydrophobicContact CG2-CB 3.78Å; T735-Q972 HydrophobicContact CG2-CG 4.25Å; M956-Q972 PolarHBondContact O-NE2 3.26Å; M956-Q972 PolarHBondContact O-OE1 3.43Å; N957-Q972 VanDerWaalsContact CA-OE1 3.27Å; C959-Q972 VanDerWaalsContact N-OE1 3.08Å; Q972-S976 PolarHBondContact NE2-O 2.99Å; Q972-S976 VanDerWaalsContact NE2-O 3.14Å |
| 973 | Q | 84.3 | Confident | 82 | Confident | 7 Ų | 7 | 28.7 Ų | 28.7 | 3% | 0.033 | 15% | 0.149 | C | C | . | . | trans | -113.5 | 176.1 | 169.2 | -52.3 | 175.8 | -48.2 | 0 | 0 | 109.2 | K729 D975 S976 | K729-Q973 PolarHBondContact O-NE2 2.8Å; Q973-D975 PolarHBondContact O-N 2.71Å; Q973-S976 CarbonylContact C-O 3.57Å; Q973-S976 VanDerWaalsContact CA-O 3.3Å; Q973-S976 WeakPolarHBondContact CA-O 3.26Å; Q973-S976 WeakPolarHBondContact CB-O 3.46Å; Q973-S976 PolarHBondContact N-O 2.94Å; Q973-S976 PolarHBondContact OE1-OG 2.83Å | ||
| 974 | W | 80.8 | Confident | 82.2 | Confident | 10 Ų | 10 | 26.4 Ų | 26.4 | 4% | 0.038 | 14% | 0.135 | C | C | . | . | S | Bend | trans | -52.4 | -60.4 | -177.3 | -160.5 | -88.3 | 0 | 0 | 0 | 112.2 | I540 V542 A716 Q717 I734 Q738 M956 | I540-W974 HydrophobicContact CG2-CH2 3.3Å; I540-W974 HydrophobicContact CG2-CZ2 3.73Å; I540-W974 HydrophobicContact CG2-CZ3 4.26Å; V542-W974 HydrophobicContact CG1-CH2 3.33Å; V542-W974 HydrophobicContact CG1-CZ2 4.49Å; V542-W974 HydrophobicContact CG1-CZ3 3.59Å; A716-W974 HydrophobicContact CB-CE3 3.9Å; A716-W974 WeakPolarHBondContact O-CB 3.39Å; Q717-W974 HydrophobicContact CB-CD2 4.13Å; Q717-W974 HydrophobicContact CB-CG 4.37Å; Q717-W974 HydrophobicContact CB-CZ2 4.5Å; I734-W974 HydrophobicContact CD1-CE3 3.74Å; I734-W974 HydrophobicContact CD1-CZ3 3.64Å; Q738-W974 HydrophobicContact CB-CH2 4.39Å; Q738-W974 HydrophobicContact CB-CZ2 3.82Å; Q738-W974 HydrophobicContact CG-CZ2 3.97Å; M956-W974 HydrophobicContact CE-CD2 4.01Å; M956-W974 HydrophobicContact CE-CG 3.73Å; M956-W974 VanDerWaalsContact CE-NE1 3.31Å; M956-W974 WeakPolarHBondContact CE-O 3.44Å |
| 975 | D | 77.4 | Confident | 82.3 | Confident | 52 Ų | 52 | 26 Ų | 26 | 28% | 0.278 | 13% | 0.132 | S | C | . | . | S | Bend | trans | -123 | 26.3 | 179.2 | -65.5 | -46 | 0 | 0 | 0 | 113 | M956 Q973 | M956-D975 WeakPolarHBondContact CE-OD1 3.38Å; Q973-D975 PolarHBondContact O-N 2.71Å |
| 976 | S | 78.9 | Confident | 82.4 | Confident | 24 Ų | 24 | 19.2 Ų | 19.2 | 17% | 0.168 | 11% | 0.106 | C | C | . | . | trans | -158.4 | 169.2 | -175.7 | 47.7 | 0 | 0 | 0 | 0 | 112.4 | Q972 Q973 | Q972-S976 PolarHBondContact NE2-O 2.99Å; Q972-S976 VanDerWaalsContact NE2-O 3.14Å; Q973-S976 CarbonylContact C-O 3.57Å; Q973-S976 VanDerWaalsContact CA-O 3.3Å; Q973-S976 WeakPolarHBondContact CA-O 3.26Å; Q973-S976 WeakPolarHBondContact CB-O 3.46Å; Q973-S976 PolarHBondContact N-O 2.94Å; Q973-S976 PolarHBondContact OE1-OG 2.83Å | ||
| 977 | V | 81.4 | Confident | 82.7 | Confident | 10 Ų | 10 | 19.8 Ų | 19.8 | 6% | 0.061 | 11% | 0.113 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.1 | 147.4 | 171.3 | -72.7 | 0 | 0 | 0 | 0 | 110.8 | Q958 P963 K989 F990 | Q958-V977 HydrophobicContact CB-CB 4.48Å; Q958-V977 HydrophobicContact CB-CG1 3.28Å; Q958-V977 HydrophobicContact CB-CG2 4.46Å; Q958-V977 HydrophobicContact CG-CG1 4.35Å; P963-V977 HydrophobicContact CG-CG2 4.08Å; V977-K989 WeakPolarHBondContact O-CE 3.23Å; V977-F990 HydrophobicContact CG2-CE1 4.14Å |
| 978 | T | 82.4 | Confident | 83 | Confident | 6 Ų | 6 | 17.1 Ų | 17.1 | 4% | 0.037 | 11% | 0.106 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.5 | 161.8 | 168 | 48.7 | 0 | 0 | 0 | 0 | 108.8 | M971 | M971-T978 WeakPolarHBondContact CE-OG1 3.47Å; M971-T978 PolarHBondContact N-O 3.09Å; M971-T978 PolarHBondContact O-N 3.46Å |
| 979 | C | 86 | Confident | 83 | Confident | 14 Ų | 14 | 22.8 Ų | 22.8 | 10% | 0.095 | 13% | 0.13 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.6 | 130.6 | 179.2 | -66.9 | 0 | 0 | 0 | 0 | 110.3 | C964 I969 C981 K989 C991 | C964-C979 WeakPolarHBondContact CA-SG 3.34Å; C964-C979 HydrophobicContact CB-CB 3.74Å; C964-C979 WeakPolarHBondContact CB-SG 3.09Å; C964-C979 WeakPolarHBondContact SG-CB 3.38Å; C964-C979 CovalentContact SG-SG 2.02Å; C964-C979 PolarHBondContact SG-SG 3.07Å; I969-C979 WeakPolarHBondContact O-CA 3.28Å; C979-C981 PolarHBondContact O-N 2.68Å; C979-K989 VanDerWaalsContact CB-O 3.24Å; C979-K989 WeakPolarHBondContact CB-O 3.34Å; C979-K989 PolarHBondContact N-O 3.1Å; C979-K989 PolarHBondContact SG-O 2.95Å; C979-K989 VanDerWaalsContact SG-O 3.36Å; C979-C991 VanDerWaalsContact CB-SG 3.58Å |
| 980 | D | 84.5 | Confident | 83.3 | Confident | 23 Ų | 23 | 23.5 Ų | 23.5 | 12% | 0.123 | 13% | 0.131 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -82.1 | 105 | 165.5 | -173.4 | -18.6 | 0 | 0 | 0 | 108.6 | K553 I969 M971 S982 N1165 | K553-D980 IonicContact NZ-OD2 3.22Å; K553-D980 PolarHBondContact NZ-OD2 3.05Å; I969-D980 HydrophobicContact CB-CB 4.21Å; I969-D980 PolarHBondContact N-O 3.48Å; I969-D980 PolarHBondContact O-N 3.4Å; M971-D980 HydrophobicContact CE-CB 4.43Å; M971-D980 HydrophobicContact CG-CB 4.17Å; M971-D980 HydrophobicContact SD-CB 3.94Å; D980-S982 VanDerWaalsContact C-N 3.31Å; D980-S982 WeakPolarHBondContact OD1-CB 3.18Å; D980-S982 PolarHBondContact OD1-N 2.84Å; D980-S982 PolarHBondContact OD1-OG 2.82Å; D980-N1165 PolarHBondContact OD2-ND2 3.31Å |
| 981 | C | 88 | Confident | 83.5 | Confident | 18 Ų | 18 | 22.6 Ų | 22.6 | 12% | 0.122 | 13% | 0.125 | C | C | . | . | trans | -90.1 | 8.2 | -179.1 | -51.4 | 0 | 0 | 0 | 0 | 113.3 | C979 L983 T984 F986 G988 C991 | C979-C981 PolarHBondContact O-N 2.68Å; C981-L983 PolarHBondContact O-N 2.72Å; C981-T984 PolarHBondContact O-N 2.92Å; C981-T984 PolarHBondContact O-OG1 2.96Å; C981-T984 VanDerWaalsContact O-OG1 3.05Å; C981-F986 WeakPolarHBondContact CB-O 3.26Å; C981-G988 PolarHBondContact SG-O 3.17Å; C981-C991 WeakPolarHBondContact CA-SG 3.46Å; C981-C991 HydrophobicContact CB-CB 3.86Å; C981-C991 WeakPolarHBondContact CB-SG 3.42Å; C981-C991 WeakPolarHBondContact SG-CA 3.07Å; C981-C991 WeakPolarHBondContact SG-CB 3.28Å; C981-C991 PolarHBondContact SG-N 2.86Å; C981-C991 CovalentContact SG-SG 2.04Å; C981-C991 PolarHBondContact SG-SG 3.3Å | ||
| 982 | S | 85.3 | Confident | 83.7 | Confident | 11 Ų | 11 | 25.8 Ų | 25.8 | 8% | 0.077 | 14% | 0.142 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -55.9 | -28.4 | -174.5 | 54.9 | 0 | 0 | 0 | 0 | 114.3 | D980 N1162 | D980-S982 VanDerWaalsContact C-N 3.31Å; D980-S982 WeakPolarHBondContact OD1-CB 3.18Å; D980-S982 PolarHBondContact OD1-N 2.84Å; D980-S982 PolarHBondContact OD1-OG 2.82Å; S982-N1162 VanDerWaalsContact CA-ND2 3.32Å; S982-N1162 WeakPolarHBondContact CA-ND2 3.31Å; S982-N1162 WeakPolarHBondContact CB-ND2 3.28Å; S982-N1162 WeakPolarHBondContact O-CB 3.31Å |
| 983 | L | 84.8 | Confident | 83.7 | Confident | 14 Ų | 14 | 31.4 Ų | 31.4 | 7% | 0.073 | 17% | 0.167 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -97.5 | 0.1 | -179.8 | -64 | 179.5 | 0 | 0 | 0 | 114.4 | I969 C981 K1022 A1024 Q1092 | I969-L983 HydrophobicContact CD1-CD1 4.21Å; C981-L983 PolarHBondContact O-N 2.72Å; L983-K1022 HydrophobicContact CD2-CB 4.3Å; L983-A1024 HydrophobicContact CD2-CB 3.96Å; L983-Q1092 WeakPolarHBondContact O-CG 3.26Å; L983-Q1092 PolarHBondContact O-NE2 2.9Å |
| 984 | T | 84.1 | Confident | 83.6 | Confident | 0 Ų | 0 | 32.6 Ų | 32.6 | 0% | 0 | 18% | 0.178 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -104.3 | -21.3 | -170.6 | 71.7 | 0 | 0 | 0 | 0 | 113.5 | F966 C981 F986 C991 | F966-T984 HydrophobicContact CB-CG2 4.44Å; F966-T984 WeakPolarHBondContact O-CG2 3.13Å; C981-T984 PolarHBondContact O-N 2.92Å; C981-T984 PolarHBondContact O-OG1 2.96Å; C981-T984 VanDerWaalsContact O-OG1 3.05Å; T984-F986 WeakPolarHBondContact O-CD2 3.23Å; T984-F986 PolarHBondContact O-N 2.85Å; T984-F986 WeakPolarHBondContact OG1-CB 3.17Å; T984-F986 PolarHBondContact OG1-N 2.86Å; T984-F986 VanDerWaalsContact OG1-N 3.12Å; T984-C991 HydrophobicContact CG2-CB 4.49Å |
| 985 | G | 84 | Confident | 83.7 | Confident | 1 Ų | 1 | 32.3 Ų | 32.3 | 1% | 0.01 | 18% | 0.178 | C | C | . | . | S | Bend | trans | 74.2 | 2.3 | -168.5 | 0 | 0 | 0 | 0 | 0 | 113.8 | G995 | G985-G995 PolarHBondContact O-N 2.77Š|
| 986 | F | 87.5 | Confident | 84 | Confident | 9 Ų | 9 | 31.6 Ų | 31.6 | 4% | 0.039 | 18% | 0.176 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.4 | 169.7 | 174.8 | -67 | -94.9 | 0 | 0 | 0 | 110.6 | F966 C981 T984 C991 K993 F1088 I1090 M1198 | F966-F986 HydrophobicContact CB-CD2 4.3Å; F966-F986 HydrophobicContact CB-CE2 4.49Å; F966-F986 HydrophobicContact CD1-CE2 4.44Å; F966-F986 HydrophobicContact CD2-CD1 4.11Å; F966-F986 AromaticContact CD2-CD2 3.58Å; F966-F986 HydrophobicContact CD2-CD2 3.58Å; F966-F986 HydrophobicContact CD2-CE1 4.23Å; F966-F986 AromaticContact CD2-CE2 3.73Å; F966-F986 HydrophobicContact CD2-CE2 3.73Å; F966-F986 AromaticContact CD2-CG 3.84Å; F966-F986 HydrophobicContact CD2-CG 3.84Å; F966-F986 HydrophobicContact CD2-CZ 4.08Å; F966-F986 AromaticContact CE2-CD1 3.9Å; F966-F986 HydrophobicContact CE2-CD1 3.9Å; F966-F986 HydrophobicContact CE2-CD2 4.11Å; F966-F986 AromaticContact CE2-CE1 3.77Å; F966-F986 HydrophobicContact CE2-CE1 3.77Å; F966-F986 HydrophobicContact CE2-CE2 4.01Å; F966-F986 HydrophobicContact CE2-CG 4.11Å; F966-F986 AromaticContact CE2-CZ 3.86Å; F966-F986 HydrophobicContact CE2-CZ 3.86Å; F966-F986 HydrophobicContact CG-CD2 4.05Å; F966-F986 AromaticContact CG-CE2 3.98Å; F966-F986 HydrophobicContact CG-CE2 3.98Å; F966-F986 HydrophobicContact CZ-CE1 4.27Å; F966-F986 HydrophobicContact CZ-CE2 4.48Å; F966-F986 HydrophobicContact CZ-CZ 4.13Å; C981-F986 WeakPolarHBondContact CB-O 3.26Å; T984-F986 WeakPolarHBondContact O-CD2 3.23Å; T984-F986 PolarHBondContact O-N 2.85Å; T984-F986 WeakPolarHBondContact OG1-CB 3.17Å; T984-F986 PolarHBondContact OG1-N 2.86Å; T984-F986 VanDerWaalsContact OG1-N 3.12Å; F986-C991 HydrophobicContact CB-CB 4.14Å; F986-C991 VanDerWaalsContact CB-O 3.31Å; F986-C991 WeakPolarHBondContact CB-O 3.05Å; F986-K993 CarbonylContact C-O 3.55Å; F986-K993 VanDerWaalsContact CA-O 3.26Å; F986-K993 WeakPolarHBondContact CA-O 3.47Å; F986-K993 VanDerWaalsContact CB-O 3.25Å; F986-K993 WeakPolarHBondContact CB-O 3.28Å; F986-K993 WeakPolarHBondContact CD1-O 3.06Å; F986-F1088 AromaticContact CE2-CE1 3.82Å; F986-F1088 HydrophobicContact CE2-CE1 3.82Å; F986-F1088 HydrophobicContact CE2-CZ 4.47Å; F986-F1088 HydrophobicContact CZ-CD1 4.36Å; F986-F1088 AromaticContact CZ-CE1 3.67Å; F986-F1088 HydrophobicContact CZ-CE1 3.67Å; F986-F1088 HydrophobicContact CZ-CZ 4.29Å; F986-I1090 HydrophobicContact CD2-CD1 4.39Å; F986-I1090 HydrophobicContact CE2-CD1 3.76Å; F986-I1090 HydrophobicContact CE2-CG1 4.2Å; F986-M1198 HydrophobicContact CE1-CE 4.07Å; F986-M1198 HydrophobicContact CE1-SD 4.39Å; F986-M1198 HydrophobicContact CE2-CE 4.36Å; F986-M1198 HydrophobicContact CZ-CE 3.45Å; F986-M1198 VanDerWaalsContact CZ-CE 3.45Å; F986-M1198 HydrophobicContact CZ-SD 3.85Å |
| 987 | T | 84.7 | Confident | 84.5 | Confident | 44 Ų | 44 | 30.8 Ų | 30.8 | 27% | 0.27 | 17% | 0.17 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -138.6 | -178.7 | 177.3 | 61.6 | 0 | 0 | 0 | 0 | 109.8 | C991 D992 K993 | T987-C991 CarbonylContact O-C 3.57Å; T987-C991 WeakPolarHBondContact O-CA 3.13Å; T987-D992 PolarHBondContact O-N 3.01Å; T987-K993 PolarHBondContact N-O 3.47Å; T987-K993 PolarHBondContact O-N 2.93Å; T987-K993 VanDerWaalsContact O-N 3.08Å |
| 988 | G | 81.4 | Confident | 84.9 | Confident | 32 Ų | 32 | 30.3 Ų | 30.3 | 33% | 0.33 | 17% | 0.167 | S | C | . | . | S | Bend | trans | 91.5 | 168 | -175.7 | 0 | 0 | 0 | 0 | 0 | 112.3 | C981 F990 C991 | C981-G988 PolarHBondContact SG-O 3.17Å; G988-F990 PolarHBondContact O-N 3.28Å; G988-C991 PolarHBondContact O-N 3.29Å |
| 989 | K | 81 | Confident | 85.2 | Confident | 119 Ų | 119 | 33.1 Ų | 33.1 | 52% | 0.517 | 18% | 0.177 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -54.5 | -32.5 | -172.6 | -175.9 | 177.8 | 176.3 | -175.9 | 0 | 113.7 | V977 C979 | V977-K989 WeakPolarHBondContact O-CE 3.23Å; C979-K989 VanDerWaalsContact CB-O 3.24Å; C979-K989 WeakPolarHBondContact CB-O 3.34Å; C979-K989 PolarHBondContact N-O 3.1Å; C979-K989 PolarHBondContact SG-O 2.95Å; C979-K989 VanDerWaalsContact SG-O 3.36Å |
| 990 | F | 86.3 | Confident | 85.4 | Confident | 73 Ų | 73 | 32.4 Ų | 32.4 | 32% | 0.32 | 17% | 0.172 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -123.1 | 19.5 | -177 | -59 | -69 | 0 | 0 | 0 | 113.6 | P963 R965 V977 G988 D992 | P963-F990 HydrophobicContact CB-CD1 4.07Å; P963-F990 HydrophobicContact CB-CE1 4.06Å; P963-F990 HydrophobicContact CG-CD1 4.37Å; P963-F990 HydrophobicContact CG-CE1 4.3Å; R965-F990 PolarHBondContact N-O 2.8Å; V977-F990 HydrophobicContact CG2-CE1 4.14Å; G988-F990 PolarHBondContact O-N 3.28Å; F990-D992 VanDerWaalsContact C-N 3.31Å; F990-D992 PolarHBondContact O-N 2.95Å |
| 991 | C | 87.1 | Confident | 85.7 | Confident | 0 Ų | 0 | 31.6 Ų | 31.6 | 0% | 0 | 17% | 0.168 | C | C | . | . | S | Bend | trans | 58 | 38.7 | -177.5 | -45.2 | 0 | 0 | 0 | 0 | 113.8 | F966 C979 C981 T984 F986 T987 G988 | F966-C991 VanDerWaalsContact CD2-O 3.32Å; F966-C991 WeakPolarHBondContact CD2-O 3.23Å; C979-C991 VanDerWaalsContact CB-SG 3.58Å; C981-C991 WeakPolarHBondContact CA-SG 3.46Å; C981-C991 HydrophobicContact CB-CB 3.86Å; C981-C991 WeakPolarHBondContact CB-SG 3.42Å; C981-C991 WeakPolarHBondContact SG-CA 3.07Å; C981-C991 WeakPolarHBondContact SG-CB 3.28Å; C981-C991 PolarHBondContact SG-N 2.86Å; C981-C991 CovalentContact SG-SG 2.04Å; C981-C991 PolarHBondContact SG-SG 3.3Å; T984-C991 HydrophobicContact CG2-CB 4.49Å; F986-C991 HydrophobicContact CB-CB 4.14Å; F986-C991 VanDerWaalsContact CB-O 3.31Å; F986-C991 WeakPolarHBondContact CB-O 3.05Å; T987-C991 CarbonylContact O-C 3.57Å; T987-C991 WeakPolarHBondContact O-CA 3.13Å; G988-C991 PolarHBondContact O-N 3.29Å |
| 992 | D | 84.4 | Confident | 85.5 | Confident | 75 Ų | 75 | 33.4 Ų | 33.4 | 40% | 0.401 | 18% | 0.175 | S | C | . | . | trans | -102.4 | -16.4 | -175.2 | 64.5 | -41.6 | 0 | 0 | 0 | 113.8 | T987 F990 | T987-D992 PolarHBondContact O-N 3.01Å; F990-D992 VanDerWaalsContact C-N 3.31Å; F990-D992 PolarHBondContact O-N 2.95Å | ||
| 993 | K | 83.2 | Confident | 85.3 | Confident | 117 Ų | 117 | 37.3 Ų | 37.3 | 51% | 0.509 | 19% | 0.191 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -98.6 | 138.8 | 179 | -61.1 | 180 | -176.9 | 178.2 | 0 | 109.9 | F986 T987 G995 | F986-K993 CarbonylContact C-O 3.55Å; F986-K993 VanDerWaalsContact CA-O 3.26Å; F986-K993 WeakPolarHBondContact CA-O 3.47Å; F986-K993 VanDerWaalsContact CB-O 3.25Å; F986-K993 WeakPolarHBondContact CB-O 3.28Å; F986-K993 WeakPolarHBondContact CD1-O 3.06Å; T987-K993 PolarHBondContact N-O 3.47Å; T987-K993 PolarHBondContact O-N 2.93Å; T987-K993 VanDerWaalsContact O-N 3.08Å; K993-G995 PolarHBondContact O-N 3.5Å |
| 994 | A | 83.2 | Confident | 85.1 | Confident | 33 Ų | 33 | 40.1 Ų | 40.1 | 27% | 0.273 | 21% | 0.21 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -61.5 | 136 | 173.6 | 0 | 0 | 0 | 0 | 0 | 109.5 | P1196 | A994-P1196 HydrophobicContact CB-CG 4.11Å |
| 995 | G | 82.7 | Confident | 85 | Confident | 4 Ų | 4 | 44.6 Ų | 44.6 | 4% | 0.041 | 23% | 0.227 | C | C | . | . | P | Polyproline II helix | trans | -65.9 | 170.8 | 175.9 | 0 | 0 | 0 | 0 | 0 | 112.8 | G985 K993 S997 | G985-G995 PolarHBondContact O-N 2.77Å; K993-G995 PolarHBondContact O-N 3.5Å; G995-S997 PolarHBondContact O-N 3.39Å; G995-S997 VanDerWaalsContact O-N 3.12Å; G995-S997 PolarHBondContact O-OG 3.36Å |
| 996 | T | 83 | Confident | 85.2 | Confident | 36 Ų | 36 | 45.6 Ų | 45.6 | 22% | 0.221 | 23% | 0.23 | C | C | . | . | P | Polyproline II helix | trans | -49.1 | 121.6 | 174.8 | -53.2 | 0 | 0 | 0 | 0 | 109.9 | T1159 G1160 D1170 Y1173 F1190 | T996-T1159 WeakPolarHBondContact O-CA 3.44Å; T996-G1160 PolarHBondContact O-N 2.94Å; T996-G1160 VanDerWaalsContact O-N 3.12Å; T996-D1170 PolarHBondContact OG1-OD1 2.89Å; T996-Y1173 HydrophobicContact CG2-CD2 4.12Å; T996-F1190 HydrophobicContact CG2-CD1 4.42Å |
| 997 | S | 88.9 | Confident | 85.3 | Confident | 7 Ų | 7 | 46.2 Ų | 46.2 | 5% | 0.049 | 23% | 0.232 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.8 | 122.8 | -168.4 | -61.4 | 0 | 0 | 0 | 0 | 111 | G995 I1158 T1159 N1191 F1194 | G995-S997 PolarHBondContact O-N 3.39Å; G995-S997 VanDerWaalsContact O-N 3.12Å; G995-S997 PolarHBondContact O-OG 3.36Å; S997-I1158 WeakPolarHBondContact CA-O 3.39Å; S997-T1159 WeakPolarHBondContact OG-CG2 3.31Å; S997-N1191 PolarHBondContact O-N 2.8Å; S997-F1194 VanDerWaalsContact OG-CD1 3.31Å; S997-F1194 WeakPolarHBondContact OG-CD1 3.3Å |
| 998 | V | 89.8 | Confident | 85.4 | Confident | 0 Ų | 0 | 44.1 Ų | 44.1 | 0% | 0 | 22% | 0.219 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114 | 129.4 | 179.4 | 177.4 | 0 | 0 | 0 | 0 | 109.9 | L1000 F1130 F1157 I1158 T1169 L1172 I1188 F1190 | V998-L1000 HydrophobicContact CG1-CD2 4.39Å; V998-F1130 HydrophobicContact CB-CE1 4.08Å; V998-F1130 HydrophobicContact CB-CZ 4.24Å; V998-F1130 HydrophobicContact CG1-CE1 3.81Å; V998-F1130 HydrophobicContact CG1-CZ 4.28Å; V998-F1130 HydrophobicContact CG2-CE1 4.43Å; V998-F1157 WeakPolarHBondContact O-CA 3.3Å; V998-I1158 PolarHBondContact N-O 3.16Å; V998-I1158 PolarHBondContact O-N 2.81Å; V998-T1169 HydrophobicContact CG2-CG2 3.83Å; V998-L1172 HydrophobicContact CG2-CD1 3.99Å; V998-I1188 HydrophobicContact CG1-CD1 4.11Å; V998-I1188 HydrophobicContact CG1-CG2 3.79Å; V998-F1190 HydrophobicContact CG2-CD1 4.04Å; V998-F1190 HydrophobicContact CG2-CE1 4.07Å |
| 999 | R | 90.3 | Very high | 85.7 | Confident | 65 Ų | 65 | 42.9 Ų | 42.9 | 25% | 0.245 | 21% | 0.206 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -86.2 | 116.9 | 174.7 | -176.3 | 176.8 | 172.7 | -156.5 | 8.7 | 109.9 | R1006 E1155 G1156 F1157 E1189 | R999-R1006 VanDerWaalsContact CB-NH1 3.34Å; R999-R1006 VanDerWaalsContact CD-NH1 3.32Å; R999-R1006 WeakPolarHBondContact O-CD 3.47Å; R999-R1006 PolarHBondContact O-NH1 3Å; R999-E1155 IonicContact CZ-OE1 2.64Å; R999-E1155 IonicContact NE-OE1 2.91Å; R999-E1155 PolarHBondContact NE-OE1 2.71Å; R999-E1155 VanDerWaalsContact NH2-CD 3.3Å; R999-E1155 IonicContact NH2-OE1 2.82Å; R999-E1155 PolarHBondContact NH2-OE1 2.87Å; R999-E1155 IonicContact NH2-OE2 3.63Å; R999-G1156 CarbonylContact C-O 3.41Å; R999-G1156 WeakPolarHBondContact CA-O 3.33Å; R999-F1157 HydrophobicContact CB-CD1 3.86Å; R999-F1157 HydrophobicContact CB-CE1 3.61Å; R999-F1157 HydrophobicContact CB-CZ 4.27Å; R999-F1157 HydrophobicContact CG-CD1 4.35Å; R999-F1157 HydrophobicContact CG-CE1 3.91Å; R999-F1157 HydrophobicContact CG-CZ 4.05Å; R999-E1189 HydrophobicContact CB-CB 4.45Å; R999-E1189 WeakPolarHBondContact CD-OE2 3.26Å; R999-E1189 IonicContact CZ-OE2 3.47Å; R999-E1189 PolarHBondContact N-O 3.27Å; R999-E1189 IonicContact NE-OE2 3.06Å; R999-E1189 IonicContact NH1-OE1 3.74Å; R999-E1189 IonicContact NH1-OE2 2.73Å; R999-E1189 PolarHBondContact NH1-OE2 3.48Å |
| 1000 | L | 90.1 | Very high | 85.9 | Confident | 0 Ų | 0 | 37.2 Ų | 37.2 | 0% | 0 | 18% | 0.181 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -95.9 | 139.2 | 170.2 | -66.1 | -174 | 0 | 0 | 0 | 110.2 | V998 R1006 M1035 L1037 F1130 F1154 E1155 G1156 I1158 I1188 | V998-L1000 HydrophobicContact CG1-CD2 4.39Å; L1000-R1006 HydrophobicContact CD2-CB 4.26Å; L1000-M1035 HydrophobicContact CB-CE 4.29Å; L1000-M1035 HydrophobicContact CB-SD 4.35Å; L1000-M1035 HydrophobicContact CD1-CE 4.45Å; L1000-L1037 HydrophobicContact CD1-CD2 4.44Å; L1000-F1130 HydrophobicContact CD1-CE2 3.99Å; L1000-F1130 HydrophobicContact CD1-CZ 4.11Å; L1000-F1130 HydrophobicContact CD2-CE1 4.07Å; L1000-F1130 HydrophobicContact CD2-CZ 4.11Å; L1000-F1130 HydrophobicContact CG-CZ 4.21Å; L1000-F1154 HydrophobicContact CB-CE1 4.17Å; L1000-E1155 WeakPolarHBondContact O-CA 3.48Å; L1000-G1156 PolarHBondContact N-O 2.85Å; L1000-G1156 PolarHBondContact O-N 3.04Å; L1000-I1158 HydrophobicContact CD1-CD1 3.53Å; L1000-I1158 HydrophobicContact CD1-CG1 4.24Å; L1000-I1158 HydrophobicContact CG-CD1 4.49Å; L1000-I1188 HydrophobicContact CD2-CD1 4.45Å |
| 1001 | S | 89 | Confident | 85.6 | Confident | 5 Ų | 5 | 35.3 Ų | 35.3 | 4% | 0.035 | 17% | 0.173 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -145.2 | 151.2 | 173.7 | 57.8 | 0 | 0 | 0 | 0 | 110.8 | P1004 R1005 R1006 F1154 | S1001-P1004 CarbonylContact C-O 3.54Å; S1001-P1004 VanDerWaalsContact O-O 3.06Å; S1001-P1004 PolarHBondContact OG-O 2.81Å; S1001-R1005 WeakPolarHBondContact O-CA 3.38Å; S1001-R1006 PolarHBondContact O-N 2.71Å; S1001-R1006 VanDerWaalsContact OG-CD 3.26Å; S1001-R1006 WeakPolarHBondContact OG-CD 3.17Å; S1001-R1006 WeakPolarHBondContact OG-CG 3.4Å; S1001-R1006 PolarHBondContact OG-NE 3.08Å; S1001-F1154 CarbonylContact C-O 3.54Å; S1001-F1154 VanDerWaalsContact CA-O 3.28Å; S1001-F1154 WeakPolarHBondContact CA-O 3.41Å |
| 1002 | E | 84.2 | Confident | 85.1 | Confident | 56 Ų | 56 | 35.7 Ų | 35.7 | 26% | 0.262 | 18% | 0.175 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -77.4 | -30.1 | 172.9 | -164.4 | -174.4 | 163.3 | 0 | 0 | 111.9 | R1005 G1153 F1154 | E1002-R1005 WeakPolarHBondContact O-CG 3.38Å; E1002-R1005 PolarHBondContact O-N 2.71Å; E1002-G1153 WeakPolarHBondContact OE2-CA 3.48Å; E1002-F1154 PolarHBondContact N-O 3.34Å; E1002-F1154 PolarHBondContact OE2-N 3.26Å |
| 1003 | F | 80.7 | Confident | 84.3 | Confident | 94 Ų | 94 | 35 Ų | 35 | 41% | 0.412 | 17% | 0.171 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -140.7 | 112 | 179.9 | -63.4 | -74.4 | 0 | 0 | 0 | 111.8 | ||
| 1004 | P | 80.5 | Confident | 83.7 | Confident | 73 Ų | 73 | 31.7 Ų | 31.7 | 47% | 0.474 | 16% | 0.163 | S | C | . | . | T | Hydrogen-bonded Turn | cis | -62.3 | 152.5 | -10.7 | 29.8 | -34.8 | 0 | 0 | 0 | 110.8 | S1001 | S1001-P1004 CarbonylContact C-O 3.54Å; S1001-P1004 VanDerWaalsContact O-O 3.06Å; S1001-P1004 PolarHBondContact OG-O 2.81Å |
| 1005 | R | 82.9 | Confident | 83.6 | Confident | 93 Ų | 93 | 30.8 Ų | 30.8 | 35% | 0.351 | 15% | 0.154 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -66.8 | 137 | 177.2 | -73.6 | -174.7 | -177.7 | 175.2 | -3.1 | 110.1 | S1001 E1002 N1187 | S1001-R1005 WeakPolarHBondContact O-CA 3.38Å; E1002-R1005 WeakPolarHBondContact O-CG 3.38Å; E1002-R1005 PolarHBondContact O-N 2.71Å; R1005-N1187 PolarHBondContact O-ND2 3.17Å |
| 1006 | R | 87.8 | Confident | 83.6 | Confident | 22 Ų | 22 | 31.9 Ų | 31.9 | 8% | 0.083 | 16% | 0.158 | C | C | . | . | trans | -126.1 | 119.4 | 178.8 | -55.2 | -175.7 | 178.4 | -172.2 | -5.4 | 109.5 | R999 L1000 S1001 E1186 N1187 I1188 E1189 | R999-R1006 VanDerWaalsContact CB-NH1 3.34Å; R999-R1006 VanDerWaalsContact CD-NH1 3.32Å; R999-R1006 WeakPolarHBondContact O-CD 3.47Å; R999-R1006 PolarHBondContact O-NH1 3Å; L1000-R1006 HydrophobicContact CD2-CB 4.26Å; S1001-R1006 PolarHBondContact O-N 2.71Å; S1001-R1006 VanDerWaalsContact OG-CD 3.26Å; S1001-R1006 WeakPolarHBondContact OG-CD 3.17Å; S1001-R1006 WeakPolarHBondContact OG-CG 3.4Å; S1001-R1006 PolarHBondContact OG-NE 3.08Å; R1006-E1186 WeakPolarHBondContact CA-O 3.17Å; R1006-N1187 WeakPolarHBondContact CD-O 3.41Å; R1006-N1187 HydrophobicContact CG-CB 4Å; R1006-N1187 VanDerWaalsContact CG-O 3.24Å; R1006-N1187 WeakPolarHBondContact CG-O 3.37Å; R1006-N1187 PolarHBondContact NE-O 3.23Å; R1006-I1188 HydrophobicContact CB-CD1 4.36Å; R1006-E1189 IonicContact CZ-OE2 3.72Å; R1006-E1189 IonicContact NH1-OE2 2.72Å; R1006-E1189 PolarHBondContact NH1-OE2 3.18Å; R1006-E1189 IonicContact NH2-OE2 3.45Å; R1006-E1189 PolarHBondContact NH2-OE2 3.04Å | ||
| 1007 | Y | 89.2 | Confident | 83.9 | Confident | 22 Ų | 22 | 31.3 Ų | 31.3 | 9% | 0.086 | 15% | 0.154 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -151.4 | 161.5 | 177.2 | 69.6 | -86.2 | 0 | 0 | 0 | 111.5 | V1009 F1130 A1133 P1134 T1184 R1185 E1186 | Y1007-V1009 HydrophobicContact CD2-CG2 4.1Å; Y1007-V1009 HydrophobicContact CE2-CG2 4.33Å; Y1007-F1130 CarbonylContact C-O 3.54Å; Y1007-F1130 WeakPolarHBondContact CA-O 3.31Å; Y1007-F1130 VanDerWaalsContact CB-O 3.27Å; Y1007-F1130 WeakPolarHBondContact CB-O 3.26Å; Y1007-A1133 HydrophobicContact CD2-CB 3.88Å; Y1007-A1133 HydrophobicContact CE2-CB 3.99Å; Y1007-A1133 HydrophobicContact CG-CB 4.26Å; Y1007-P1134 HydrophobicContact CE1-CG 4.34Å; Y1007-T1184 HydrophobicContact CE2-CG2 3.93Å; Y1007-R1185 CarbonylContact O-C 3.52Å; Y1007-R1185 VanDerWaalsContact O-CA 3.31Å; Y1007-R1185 WeakPolarHBondContact O-CA 3.5Å; Y1007-E1186 HydrophobicContact CD1-CB 3.95Å; Y1007-E1186 HydrophobicContact CE1-CB 3.44Å; Y1007-E1186 VanDerWaalsContact CE1-CB 3.44Å; Y1007-E1186 HydrophobicContact CE1-CG 4.17Å; Y1007-E1186 WeakPolarHBondContact CE1-OE2 3.39Å; Y1007-E1186 VanDerWaalsContact CZ-OE2 3.23Å; Y1007-E1186 PolarHBondContact N-O 2.88Å; Y1007-E1186 PolarHBondContact O-N 2.68Å; Y1007-E1186 PolarHBondContact OH-OE2 2.76Å |
| 1008 | A | 88 | Confident | 83.9 | Confident | 0 Ų | 0 | 31.2 Ų | 31.2 | 0% | 0 | 15% | 0.153 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -137 | 150.8 | 169.3 | 0 | 0 | 0 | 0 | 0 | 109.3 | F1010 F1130 L1172 L1182 T1184 R1185 I1188 | A1008-F1010 HydrophobicContact CB-CE2 4.37Å; A1008-F1010 HydrophobicContact CB-CZ 4.46Å; A1008-F1130 HydrophobicContact CB-CB 4.42Å; A1008-F1130 HydrophobicContact CB-CD1 4.34Å; A1008-F1130 PolarHBondContact N-O 2.85Å; A1008-F1130 PolarHBondContact O-N 2.85Å; A1008-L1172 HydrophobicContact CB-CD2 3.53Å; A1008-L1182 HydrophobicContact CB-CD1 3.94Å; A1008-T1184 CarbonylContact C-O 3.15Å; A1008-T1184 VanDerWaalsContact CA-O 3.3Å; A1008-T1184 WeakPolarHBondContact CA-O 3.3Å; A1008-R1185 HydrophobicContact CB-CB 4.26Å; A1008-I1188 HydrophobicContact CB-CD1 4.43Å; A1008-I1188 HydrophobicContact CB-CG1 4.48Å |
| 1009 | V | 86.6 | Confident | 83.8 | Confident | 6 Ų | 6 | 32 Ų | 32 | 4% | 0.036 | 16% | 0.158 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.6 | 120.9 | 175.3 | -175.9 | 0 | 0 | 0 | 0 | 108.2 | Y1007 I1128 Y1129 K1183 T1184 | Y1007-V1009 HydrophobicContact CD2-CG2 4.1Å; Y1007-V1009 HydrophobicContact CE2-CG2 4.33Å; V1009-I1128 CarbonylContact C-O 3.55Å; V1009-I1128 WeakPolarHBondContact CA-O 2.89Å; V1009-Y1129 HydrophobicContact CB-CD1 4.42Å; V1009-Y1129 HydrophobicContact CG1-CD1 4.08Å; V1009-Y1129 HydrophobicContact CG1-CE1 3.99Å; V1009-Y1129 HydrophobicContact CG1-CG 4.48Å; V1009-Y1129 HydrophobicContact CG2-CD1 3.52Å; V1009-Y1129 HydrophobicContact CG2-CE1 3.85Å; V1009-Y1129 HydrophobicContact CG2-CG 4.37Å; V1009-K1183 HydrophobicContact CB-CB 4.3Å; V1009-K1183 HydrophobicContact CG1-CB 4.3Å; V1009-K1183 HydrophobicContact CG1-CD 4.17Å; V1009-K1183 WeakPolarHBondContact O-CA 3.32Å; V1009-K1183 WeakPolarHBondContact O-CB 3.37Å; V1009-K1183 PolarHBondContact O-N 3.2Å; V1009-T1184 HydrophobicContact CB-CG2 3.73Å; V1009-T1184 HydrophobicContact CG2-CG2 3.59Å; V1009-T1184 PolarHBondContact N-O 3.12Å; V1009-T1184 PolarHBondContact O-N 3.13Å |
| 1010 | F | 85.5 | Confident | 83.7 | Confident | 0 Ų | 0 | 29 Ų | 29 | 0% | 0 | 15% | 0.147 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -97.7 | 145.1 | 169.9 | -49.2 | -89 | 0 | 0 | 0 | 110 | A1008 R1127 I1128 F1130 L1168 L1171 L1172 I1180 Y1181 L1182 | A1008-F1010 HydrophobicContact CB-CE2 4.37Å; A1008-F1010 HydrophobicContact CB-CZ 4.46Å; F1010-R1127 WeakPolarHBondContact O-CA 3.39Å; F1010-I1128 HydrophobicContact CB-CB 4.19Å; F1010-I1128 HydrophobicContact CB-CD1 4.46Å; F1010-I1128 HydrophobicContact CD2-CB 4.33Å; F1010-I1128 HydrophobicContact CD2-CG2 4.35Å; F1010-I1128 PolarHBondContact N-O 3.41Å; F1010-I1128 PolarHBondContact O-N 3.43Å; F1010-F1130 HydrophobicContact CE2-CB 4.11Å; F1010-L1168 HydrophobicContact CD2-CD1 4.47Å; F1010-L1168 HydrophobicContact CD2-CD2 4.29Å; F1010-L1168 HydrophobicContact CE2-CB 4Å; F1010-L1168 HydrophobicContact CE2-CD1 4.46Å; F1010-L1168 HydrophobicContact CE2-CD2 4.46Å; F1010-L1168 HydrophobicContact CG-CD2 4.36Å; F1010-L1168 HydrophobicContact CZ-CB 4.05Å; F1010-L1168 WeakPolarHBondContact CZ-O 3.25Å; F1010-L1171 HydrophobicContact CD1-CB 4.37Å; F1010-L1171 HydrophobicContact CD1-CD1 4Å; F1010-L1171 HydrophobicContact CE1-CB 3.69Å; F1010-L1171 HydrophobicContact CE1-CD1 4.04Å; F1010-L1171 HydrophobicContact CZ-CB 4.49Å; F1010-L1172 HydrophobicContact CE1-CD2 4Å; F1010-L1172 HydrophobicContact CE1-CG 4.3Å; F1010-L1172 HydrophobicContact CZ-CD1 4.31Å; F1010-L1172 HydrophobicContact CZ-CD2 3.61Å; F1010-L1172 HydrophobicContact CZ-CG 3.75Å; F1010-I1180 HydrophobicContact CB-CG2 4.03Å; F1010-I1180 HydrophobicContact CD1-CG2 4.32Å; F1010-Y1181 CarbonylContact C-O 3.45Å; F1010-Y1181 WeakPolarHBondContact CA-O 3.24Å; F1010-L1182 HydrophobicContact CD1-CD1 4.06Å; F1010-L1182 HydrophobicContact CE1-CD1 3.84Å; F1010-L1182 HydrophobicContact CZ-CD1 4.35Å |
| 1011 | E | 80 | Confident | 83.7 | Confident | 34 Ų | 34 | 29 Ų | 29 | 16% | 0.159 | 15% | 0.147 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.1 | 128.2 | 177.4 | -172.5 | 155.6 | -143.6 | 0 | 0 | 109 | K1126 R1127 Y1181 K1183 | E1011-K1126 WeakPolarHBondContact CA-O 3.48Å; E1011-K1126 HydrophobicContact CG-CD 4.18Å; E1011-K1126 HydrophobicContact CG-CG 4.38Å; E1011-R1127 HydrophobicContact CG-CG 4.34Å; E1011-R1127 IonicContact OE1-CZ 3.69Å; E1011-R1127 IonicContact OE1-NE 2.82Å; E1011-R1127 PolarHBondContact OE1-NE 2.93Å; E1011-R1127 IonicContact OE1-NH2 3.37Å; E1011-R1127 PolarHBondContact OE1-NH2 3.12Å; E1011-Y1181 PolarHBondContact N-O 2.78Å; E1011-Y1181 PolarHBondContact O-N 3.13Å; E1011-K1183 HydrophobicContact CB-CB 4.37Å; E1011-K1183 IonicContact OE1-NZ 3.9Å; E1011-K1183 PolarHBondContact OE1-NZ 2.03Å; E1011-K1183 VanDerWaalsContact OE2-CD 3.27Å; E1011-K1183 WeakPolarHBondContact OE2-CD 3.49Å; E1011-K1183 WeakPolarHBondContact OE2-CE 3.35Å; E1011-K1183 IonicContact OE2-NZ 3.5Å; E1011-K1183 PolarHBondContact OE2-NZ 3.33Å |
| 1012 | L | 78.1 | Confident | 83.7 | Confident | 7 Ų | 7 | 29.8 Ų | 29.8 | 4% | 0.037 | 15% | 0.15 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -76.9 | 148.2 | 174.2 | -74.1 | 74.4 | 0 | 0 | 0 | 109.1 | L557 Q1016 L1125 K1126 I1128 G1179 I1180 | L557-L1012 HydrophobicContact CD2-CD2 4.36Å; L1012-Q1016 HydrophobicContact CD2-CB 4.44Å; L1012-Q1016 HydrophobicContact CD2-CG 3.56Å; L1012-L1125 HydrophobicContact CD1-CD2 3.76Å; L1012-L1125 HydrophobicContact CD2-CD2 3.77Å; L1012-L1125 HydrophobicContact CG-CD2 4.44Å; L1012-K1126 HydrophobicContact CB-CD 4.48Å; L1012-K1126 VanDerWaalsContact CD1-O 3.31Å; L1012-K1126 WeakPolarHBondContact CD1-O 3.44Å; L1012-K1126 PolarHBondContact N-O 2.75Å; L1012-K1126 WeakPolarHBondContact O-CD 3.48Å; L1012-K1126 WeakPolarHBondContact O-CE 3.13Å; L1012-K1126 PolarHBondContact O-NZ 3.34Å; L1012-I1128 HydrophobicContact CD1-CD1 3.83Å; L1012-I1128 HydrophobicContact CD1-CG1 4.3Å; L1012-G1179 CarbonylContact C-O 3.58Å; L1012-G1179 VanDerWaalsContact CA-O 3.29Å; L1012-G1179 WeakPolarHBondContact CA-O 3.42Å; L1012-I1180 HydrophobicContact CD1-CG1 4.47Å; L1012-I1180 HydrophobicContact CG-CG1 4.01Å |
| 1013 | N | 65.8 | Low | 84.1 | Confident | 60 Ų | 60 | 27.2 Ų | 27.2 | 32% | 0.321 | 14% | 0.138 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -64.8 | -56.4 | 172.4 | -93.2 | -10.7 | 0 | 0 | 0 | 111.6 | F347 K1126 G1179 Y1181 | F347-N1013 WeakPolarHBondContact CE2-ND2 3.29Å; F347-N1013 WeakPolarHBondContact CZ-ND2 3.31Å; N1013-K1126 PolarHBondContact O-NZ 3.38Å; N1013-G1179 PolarHBondContact N-O 3.01Å; N1013-Y1181 HydrophobicContact CB-CE2 4.15Å; N1013-Y1181 WeakPolarHBondContact ND2-CE2 3.28Å; N1013-Y1181 PolarHBondContact ND2-OH 2.86Å; N1013-Y1181 WeakPolarHBondContact OD1-CD2 3.49Å; N1013-Y1181 WeakPolarHBondContact OD1-CE2 3.39Å |
| 1014 | S | 71 | Confident | 84.7 | Confident | 49 Ų | 49 | 22.8 Ų | 22.8 | 34% | 0.343 | 12% | 0.119 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.1 | 129.6 | 174.8 | -173.4 | 0 | 0 | 0 | 0 | 109.3 | Q1016 | S1014-Q1016 PolarHBondContact O-NE2 2.88Å |
| 1015 | P | 81.1 | Confident | 85.4 | Confident | 13 Ų | 13 | 19.3 Ų | 19.3 | 8% | 0.084 | 10% | 0.096 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -49.8 | 145.8 | 165.5 | -26.1 | 36 | 0 | 0 | 0 | 111.7 | Q1043 M1124 L1125 K1126 | P1015-Q1043 HydrophobicContact CG-CB 4.24Å; P1015-M1124 HydrophobicContact CB-CB 4.01Å; P1015-M1124 HydrophobicContact CB-CE 3.61Å; P1015-M1124 HydrophobicContact CB-CG 4.47Å; P1015-M1124 HydrophobicContact CB-SD 3.62Å; P1015-M1124 HydrophobicContact CG-CE 3.54Å; P1015-M1124 HydrophobicContact CG-SD 4.24Å; P1015-L1125 VanDerWaalsContact CA-O 3.29Å; P1015-L1125 WeakPolarHBondContact CA-O 3.38Å; P1015-K1126 HydrophobicContact CG-CD 4.14Å |
| 1016 | Q | 83.7 | Confident | 85.9 | Confident | 27 Ų | 27 | 14.9 Ų | 14.9 | 13% | 0.126 | 8% | 0.079 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.1 | 137.7 | 180 | -58.5 | -61.6 | -51.4 | 0 | 0 | 110.4 | L1012 S1014 T1018 M1124 L1125 | L1012-Q1016 HydrophobicContact CD2-CB 4.44Å; L1012-Q1016 HydrophobicContact CD2-CG 3.56Å; S1014-Q1016 PolarHBondContact O-NE2 2.88Å; Q1016-T1018 HydrophobicContact CB-CG2 4.39Å; Q1016-M1124 PolarHBondContact O-N 3.13Å; Q1016-L1125 HydrophobicContact CB-CB 4.4Å; Q1016-L1125 PolarHBondContact N-O 2.82Å; Q1016-L1125 VanDerWaalsContact O-CB 3.29Å; Q1016-L1125 WeakPolarHBondContact O-CB 3.12Å; Q1016-L1125 PolarHBondContact O-N 2.84Å |
| 1017 | N | 87.8 | Confident | 86.2 | Confident | 25 Ų | 25 | 13.9 Ų | 13.9 | 13% | 0.134 | 8% | 0.075 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -99.7 | 116.4 | 169.8 | -66.6 | -2.8 | 0 | 0 | 0 | 108.9 | S588 F1122 M1124 | S588-N1017 PolarHBondContact N-O 2.99Å; S588-N1017 PolarHBondContact OG-O 3.37Å; S588-N1017 VanDerWaalsContact OG-O 3.11Å; N1017-F1122 CarbonylContact C-O 3.51Å; N1017-F1122 VanDerWaalsContact CA-O 3.25Å; N1017-F1122 WeakPolarHBondContact CA-O 3.3Å; N1017-M1124 PolarHBondContact OD1-N 3.11Å |
| 1018 | T | 90.7 | Very high | 86.4 | Confident | 4 Ų | 4 | 13.9 Ų | 13.9 | 3% | 0.025 | 8% | 0.076 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.1 | 139 | -175.6 | 63.6 | 0 | 0 | 0 | 0 | 113.4 | I586 S588 Q1016 D1021 R1095 H1121 F1122 | I586-T1018 HydrophobicContact CG2-CG2 4.34Å; I586-T1018 CarbonylContact O-C 3.54Å; I586-T1018 WeakPolarHBondContact O-CA 3.4Å; I586-T1018 VanDerWaalsContact O-CB 3.25Å; I586-T1018 WeakPolarHBondContact O-CB 3.43Å; S588-T1018 VanDerWaalsContact OG-C 3.25Å; S588-T1018 PolarHBondContact OG-N 2.88Å; Q1016-T1018 HydrophobicContact CB-CG2 4.39Å; T1018-D1021 WeakPolarHBondContact CB-OD1 3.28Å; T1018-D1021 VanDerWaalsContact OG1-CG 3.26Å; T1018-D1021 PolarHBondContact OG1-OD1 3.33Å; T1018-D1021 PolarHBondContact OG1-OD2 2.89Å; T1018-R1095 PolarHBondContact O-NH2 2.79Å; T1018-R1095 PolarHBondContact OG1-NH2 3.06Å; T1018-H1121 WeakPolarHBondContact O-CA 3.38Å; T1018-F1122 PolarHBondContact N-O 3.35Å; T1018-F1122 PolarHBondContact O-N 3.07Å; T1018-F1122 WeakPolarHBondContact OG1-CB 3.29Å |
| 1019 | T | 87.4 | Confident | 86.7 | Confident | 18 Ų | 18 | 14.2 Ų | 14.2 | 11% | 0.11 | 8% | 0.078 | C | C | . | . | S | Bend | trans | -96 | -26.6 | 168.4 | 37.6 | 0 | 0 | 0 | 0 | 111.6 | S585 I586 L587 S588 K1096 E1097 H1121 | S585-T1019 PolarHBondContact O-OG1 2.84Å; I586-T1019 PolarHBondContact O-N 2.85Å; I586-T1019 PolarHBondContact O-OG1 3.38Å; L587-T1019 PolarHBondContact O-OG1 3.25Å; S588-T1019 PolarHBondContact OG-N 3.1Å; T1019-K1096 CarbonylContact O-C 3.45Å; T1019-K1096 WeakPolarHBondContact O-CA 3.04Å; T1019-E1097 PolarHBondContact O-N 3.28Å; T1019-H1121 WeakPolarHBondContact CG2-CE1 3.26Å; T1019-H1121 WeakPolarHBondContact CG2-ND1 3.15Å |
| 1020 | L | 87.2 | Confident | 86.9 | Confident | 0 Ų | 0 | 17.1 Ų | 17.1 | 0% | 0 | 10% | 0.096 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.8 | 126.6 | 177.5 | 162 | 71.6 | 0 | 0 | 0 | 110.9 | S585 I586 T673 K1022 I1094 R1095 K1096 | S585-L1020 WeakPolarHBondContact O-CB 3.34Å; I586-L1020 HydrophobicContact CG1-CB 4.44Å; I586-L1020 HydrophobicContact CG1-CD2 4Å; I586-L1020 HydrophobicContact CG1-CG 4.23Å; I586-L1020 WeakPolarHBondContact CG2-O 3.34Å; I586-L1020 PolarHBondContact O-N 2.91Å; T673-L1020 HydrophobicContact CG2-CD2 3.64Å; L1020-K1022 HydrophobicContact CD1-CG 4.15Å; L1020-K1022 HydrophobicContact CG-CG 4.48Å; L1020-I1094 HydrophobicContact CD1-CG2 3.76Å; L1020-R1095 CarbonylContact C-O 3.6Å; L1020-R1095 WeakPolarHBondContact CA-O 3.42Å; L1020-R1095 WeakPolarHBondContact CD1-O 3.33Å; L1020-K1096 HydrophobicContact CD1-CB 4.17Å |
| 1021 | D | 90 | Very high | 87.2 | Confident | 1 Ų | 1 | 18.9 Ų | 18.9 | 1% | 0.005 | 11% | 0.105 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.9 | 129.1 | 174.3 | -59.9 | -58.5 | 0 | 0 | 0 | 110.4 | T1018 I1050 I1094 R1095 N1164 | T1018-D1021 WeakPolarHBondContact CB-OD1 3.28Å; T1018-D1021 VanDerWaalsContact OG1-CG 3.26Å; T1018-D1021 PolarHBondContact OG1-OD1 3.33Å; T1018-D1021 PolarHBondContact OG1-OD2 2.89Å; D1021-I1050 HydrophobicContact CB-CD1 4.27Å; D1021-I1094 CarbonylContact O-C 3.49Å; D1021-I1094 VanDerWaalsContact O-CA 3.32Å; D1021-I1094 WeakPolarHBondContact O-CA 3.43Å; D1021-R1095 HydrophobicContact CB-CB 4.42Å; D1021-R1095 PolarHBondContact N-O 2.79Å; D1021-R1095 PolarHBondContact O-N 3.42Å; D1021-R1095 IonicContact OD2-CZ 2.7Å; D1021-R1095 IonicContact OD2-NE 3.18Å; D1021-R1095 PolarHBondContact OD2-NE 3.29Å; D1021-R1095 IonicContact OD2-NH2 3.91Å; D1021-R1095 PolarHBondContact OD2-NH2 3.28Å; D1021-N1164 VanDerWaalsContact CA-OD1 3.29Å; D1021-N1164 WeakPolarHBondContact CA-OD1 3.03Å; D1021-N1164 PolarHBondContact OD1-ND2 2.92Å |
| 1022 | K | 89.3 | Confident | 87.5 | Confident | 22 Ų | 22 | 19.7 Ų | 19.7 | 10% | 0.096 | 11% | 0.113 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.9 | 117 | 174.9 | -62 | 177.6 | -173 | 173.1 | 0 | 108.4 | L983 L1020 I1094 L1163 N1164 | L983-K1022 HydrophobicContact CD2-CB 4.3Å; L1020-K1022 HydrophobicContact CD1-CG 4.15Å; L1020-K1022 HydrophobicContact CG-CG 4.48Å; K1022-I1094 HydrophobicContact CG-CG1 4.44Å; K1022-I1094 HydrophobicContact CG-CG2 4.33Å; K1022-L1163 CarbonylContact O-C 3.44Å; K1022-L1163 WeakPolarHBondContact O-CA 3.16Å; K1022-N1164 PolarHBondContact N-OD1 3.14Å; K1022-N1164 PolarHBondContact O-N 3.02Å |
| 1023 | L | 93.5 | Very high | 88 | Confident | 2 Ų | 2 | 19.9 Ų | 19.9 | 1% | 0.01 | 12% | 0.117 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.8 | 125 | 176.6 | 178.1 | 61.9 | 0 | 0 | 0 | 109 | I1038 L1052 Q1092 F1093 L1161 N1162 L1163 | L1023-I1038 HydrophobicContact CD1-CD1 4.13Å; L1023-I1038 HydrophobicContact CD2-CD1 3.98Å; L1023-I1038 HydrophobicContact CD2-CG2 4.39Å; L1023-I1038 HydrophobicContact CG-CD1 4.39Å; L1023-L1052 HydrophobicContact CD2-CD1 3.46Å; L1023-L1052 VanDerWaalsContact CD2-CD1 3.46Å; L1023-L1052 HydrophobicContact CD2-CD2 3.61Å; L1023-L1052 HydrophobicContact CD2-CG 4.18Å; L1023-L1052 HydrophobicContact CG-CD2 4.47Å; L1023-Q1092 CarbonylContact O-C 3.59Å; L1023-Q1092 WeakPolarHBondContact O-CA 3.35Å; L1023-F1093 HydrophobicContact CB-CB 4.33Å; L1023-F1093 HydrophobicContact CB-CD1 4.36Å; L1023-F1093 PolarHBondContact N-O 3.11Å; L1023-F1093 PolarHBondContact O-N 3.29Å; L1023-L1161 HydrophobicContact CD1-CD1 3.76Å; L1023-N1162 CarbonylContact C-O 3.48Å; L1023-N1162 VanDerWaalsContact CA-O 3.31Å; L1023-N1162 WeakPolarHBondContact CA-O 3.32Å; L1023-N1162 VanDerWaalsContact CD1-O 3.25Å; L1023-N1162 WeakPolarHBondContact CD1-O 3.43Å; L1023-L1163 HydrophobicContact CB-CD1 4.29Å; L1023-L1163 HydrophobicContact CD1-CB 4.21Å; L1023-L1163 HydrophobicContact CD1-CD1 4.25Å |
| 1024 | A | 92.8 | Very high | 89.1 | Confident | 1 Ų | 1 | 20.1 Ų | 20.1 | 1% | 0.008 | 12% | 0.121 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -142.1 | 147.1 | 178.6 | 0 | 0 | 0 | 0 | 0 | 112.3 | L983 V1091 Q1092 N1162 | L983-A1024 HydrophobicContact CD2-CB 3.96Å; A1024-V1091 CarbonylContact C-O 3.59Å; A1024-V1091 WeakPolarHBondContact CA-O 3.35Å; A1024-Q1092 HydrophobicContact CB-CG 4.11Å; A1024-N1162 PolarHBondContact N-O 3.4Å; A1024-N1162 PolarHBondContact O-N 2.98Å |
| 1025 | F | 94.8 | Very high | 90 | Very high | 0 Ų | 0 | 18.1 Ų | 18.1 | 0% | 0 | 11% | 0.106 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -164 | 156 | 175.3 | 56.1 | -84.2 | 0 | 0 | 0 | 111.1 | I1027 L1037 I1038 L1052 V1091 I1158 L1161 | F1025-I1027 HydrophobicContact CD2-CB 4.05Å; F1025-I1027 HydrophobicContact CE2-CB 3.96Å; F1025-I1027 HydrophobicContact CE2-CD1 4.25Å; F1025-I1027 HydrophobicContact CE2-CG2 4.16Å; F1025-L1037 HydrophobicContact CE2-CD1 4.14Å; F1025-L1037 HydrophobicContact CZ-CD1 4.16Å; F1025-I1038 HydrophobicContact CD1-CD1 3.87Å; F1025-I1038 HydrophobicContact CE1-CD1 3.64Å; F1025-I1038 HydrophobicContact CZ-CD1 4.3Å; F1025-L1052 HydrophobicContact CE1-CD2 3.63Å; F1025-L1052 HydrophobicContact CZ-CD2 4.03Å; F1025-V1091 HydrophobicContact CD1-CB 4.41Å; F1025-V1091 HydrophobicContact CD2-CB 4.36Å; F1025-V1091 HydrophobicContact CE1-CB 4.04Å; F1025-V1091 HydrophobicContact CE1-CG1 3.78Å; F1025-V1091 HydrophobicContact CE2-CB 4.01Å; F1025-V1091 HydrophobicContact CE2-CG1 4.4Å; F1025-V1091 HydrophobicContact CE2-CG2 4Å; F1025-V1091 HydrophobicContact CZ-CB 3.83Å; F1025-V1091 HydrophobicContact CZ-CG1 3.73Å; F1025-V1091 HydrophobicContact CZ-CG2 4.11Å; F1025-V1091 PolarHBondContact N-O 2.96Å; F1025-V1091 PolarHBondContact O-N 2.78Å; F1025-I1158 HydrophobicContact CB-CG2 3.99Å; F1025-I1158 HydrophobicContact CD2-CG1 4.49Å; F1025-I1158 HydrophobicContact CD2-CG2 4.07Å; F1025-I1158 HydrophobicContact CG-CG2 4.25Å; F1025-L1161 HydrophobicContact CB-CB 4.32Å; F1025-L1161 HydrophobicContact CB-CD1 3.87Å; F1025-L1161 HydrophobicContact CD1-CD1 3.8Å; F1025-L1161 HydrophobicContact CG-CD1 4.1Å |
| 1026 | G | 93.6 | Very high | 90.5 | Very high | 0 Ų | 0 | 18.2 Ų | 18.2 | 0% | 0 | 11% | 0.107 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -86.1 | 144.4 | 163.5 | 0 | 0 | 0 | 0 | 0 | 111.4 | F1088 H1089 I1158 T1159 | G1026-F1088 VanDerWaalsContact CA-CZ 3.44Å; G1026-H1089 CarbonylContact C-O 3.46Å; G1026-H1089 VanDerWaalsContact CA-O 3.29Å; G1026-H1089 WeakPolarHBondContact CA-O 2.81Å; G1026-I1158 CarbonylContact O-C 3.55Å; G1026-I1158 VanDerWaalsContact O-CA 3.29Å; G1026-I1158 WeakPolarHBondContact O-CA 3.45Å; G1026-T1159 WeakPolarHBondContact CA-OG1 3.4Å; G1026-T1159 PolarHBondContact N-O 2.88Å; G1026-T1159 PolarHBondContact O-N 3.22Å |
| 1027 | I | 94.1 | Very high | 91 | Very high | 0 Ų | 0 | 17 Ų | 17 | 0% | 0 | 10% | 0.101 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -139.5 | 138.6 | 177.5 | -173.8 | 168.2 | 0 | 0 | 0 | 111.9 | F1025 I1029 L1037 V1054 F1083 F1088 H1089 V1091 F1157 I1158 | F1025-I1027 HydrophobicContact CD2-CB 4.05Å; F1025-I1027 HydrophobicContact CE2-CB 3.96Å; F1025-I1027 HydrophobicContact CE2-CD1 4.25Å; F1025-I1027 HydrophobicContact CE2-CG2 4.16Å; I1027-I1029 HydrophobicContact CD1-CG1 4.34Å; I1027-I1029 HydrophobicContact CG1-CG1 4.36Å; I1027-L1037 HydrophobicContact CD1-CD1 3.56Å; I1027-L1037 HydrophobicContact CD1-CD2 4.44Å; I1027-V1054 HydrophobicContact CD1-CG2 4.44Å; I1027-F1083 HydrophobicContact CG2-CD1 3.94Å; I1027-F1083 HydrophobicContact CG2-CE1 3.66Å; I1027-F1088 WeakPolarHBondContact O-CA 3.45Å; I1027-H1089 HydrophobicContact CG2-CB 4.07Å; I1027-H1089 PolarHBondContact N-O 3.1Å; I1027-H1089 PolarHBondContact O-N 3.47Å; I1027-V1091 HydrophobicContact CG2-CG2 3.91Å; I1027-F1157 CarbonylContact C-O 3.55Å; I1027-F1157 VanDerWaalsContact CA-O 3.32Å; I1027-F1157 WeakPolarHBondContact CA-O 3.41Å; I1027-I1158 HydrophobicContact CD1-CG1 4.45Å; I1027-I1158 HydrophobicContact CG1-CG1 4.34Å |
| 1028 | Q | 94.1 | Very high | 91.3 | Very high | 23 Ų | 23 | 15.8 Ų | 15.8 | 11% | 0.107 | 10% | 0.095 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -137.8 | 117.3 | 169 | -179.8 | 177.2 | -38.3 | 0 | 0 | 109.9 | F1088 G1156 F1157 F1194 | Q1028-F1088 HydrophobicContact CB-CB 4.46Å; Q1028-F1088 HydrophobicContact CB-CD2 4.08Å; Q1028-G1156 CarbonylContact O-C 3.56Å; Q1028-G1156 WeakPolarHBondContact O-CA 3.42Å; Q1028-F1157 PolarHBondContact N-O 3.39Å; Q1028-F1157 PolarHBondContact O-N 3.33Å; Q1028-F1194 HydrophobicContact CB-CZ 4.06Å |
| 1029 | I | 93.5 | Very high | 91.5 | Very high | 7 Ų | 7 | 17.6 Ų | 17.6 | 4% | 0.036 | 10% | 0.103 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -88.3 | 125 | 178.3 | -56.8 | -178.2 | 0 | 0 | 0 | 108.8 | I1027 N1031 V1054 F1083 F1154 | I1027-I1029 HydrophobicContact CD1-CG1 4.34Å; I1027-I1029 HydrophobicContact CG1-CG1 4.36Å; I1029-N1031 WeakPolarHBondContact CG2-O 3.25Å; I1029-V1054 HydrophobicContact CD1-CG1 3.95Å; I1029-V1054 HydrophobicContact CD1-CG2 4.26Å; I1029-F1083 HydrophobicContact CD1-CB 3.65Å; I1029-F1154 HydrophobicContact CD1-CE2 3.75Å; I1029-F1154 HydrophobicContact CG1-CE2 3.89Å; I1029-F1154 HydrophobicContact CG1-CZ 4.25Å; I1029-F1154 HydrophobicContact CG2-CD2 4.49Å; I1029-F1154 HydrophobicContact CG2-CE2 4.21Å |
| 1030 | T | 91.1 | Very high | 91.8 | Very high | 67 Ų | 67 | 16.8 Ų | 16.8 | 41% | 0.411 | 10% | 0.098 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -98.7 | -35.8 | 177 | 50.7 | 0 | 0 | 0 | 0 | 112.3 | E1155 F1157 | T1030-E1155 PolarHBondContact N-O 2.62Å; T1030-E1155 PolarHBondContact OG1-O 2.97Å; T1030-F1157 HydrophobicContact CG2-CD2 4.04Å; T1030-F1157 HydrophobicContact CG2-CE2 3.8Å |
| 1031 | N | 91 | Very high | 92.1 | Very high | 37 Ų | 37 | 20.2 Ų | 20.2 | 20% | 0.198 | 11% | 0.114 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.4 | 114.1 | 171.2 | -166.8 | 35.7 | 0 | 0 | 0 | 109.5 | I1029 G1033 G1153 E1155 | I1029-N1031 WeakPolarHBondContact CG2-O 3.25Å; N1031-G1033 PolarHBondContact O-N 3.2Å; N1031-G1153 PolarHBondContact ND2-O 3.03Å; N1031-E1155 HydrophobicContact CB-CB 3.57Å; N1031-E1155 PolarHBondContact N-O 2.64Å; N1031-E1155 PolarHBondContact O-N 2.74Å |
| 1032 | P | 87.7 | Confident | 92 | Very high | 50 Ų | 50 | 20.5 Ų | 20.5 | 33% | 0.325 | 12% | 0.117 | S | C | . | . | trans | -61.3 | 135.2 | -178.8 | 22.7 | -32.5 | 0 | 0 | 0 | 112.2 | L1061 N1084 | P1032-L1061 HydrophobicContact CB-CD1 3.39Å; P1032-N1084 VanDerWaalsContact CB-OD1 3.23Å; P1032-N1084 WeakPolarHBondContact CB-OD1 3.21Å; P1032-N1084 VanDerWaalsContact CG-OD1 3.29Å; P1032-N1084 WeakPolarHBondContact CG-OD1 2.94Å | ||
| 1033 | G | 88.2 | Confident | 91.9 | Very high | 11 Ų | 11 | 23.6 Ų | 23.6 | 11% | 0.113 | 13% | 0.132 | C | C | . | . | trans | -171.9 | 175.5 | 175 | 0 | 0 | 0 | 0 | 0 | 110.5 | N1031 F1154 | N1031-G1033 PolarHBondContact O-N 3.2Å; G1033-F1154 WeakPolarHBondContact O-CD2 3.18Å | ||
| 1034 | T | 88.5 | Confident | 91.5 | Very high | 66 Ų | 66 | 27.1 Ų | 27.1 | 41% | 0.405 | 17% | 0.169 | S | C | . | . | trans | -96.9 | 132.7 | 173.5 | 56.8 | 0 | 0 | 0 | 0 | 109.9 | V1054 H1056 | T1034-V1054 WeakPolarHBondContact CA-O 3.45Å; T1034-V1054 WeakPolarHBondContact CB-O 3.2Å; T1034-H1056 HydrophobicContact CG2-CB 4.42Å | ||
| 1035 | M | 90.5 | Very high | 90.8 | Very high | 7 Ų | 7 | 36.4 Ų | 36.4 | 3% | 0.034 | 21% | 0.212 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -153.2 | 142.8 | 178 | -172.9 | 171.5 | 179.8 | 0 | 0 | 110.9 | L1000 L1037 S1053 V1054 E1132 F1154 | L1000-M1035 HydrophobicContact CB-CE 4.29Å; L1000-M1035 HydrophobicContact CB-SD 4.35Å; L1000-M1035 HydrophobicContact CD1-CE 4.45Å; M1035-L1037 PolarHBondContact O-N 2.92Å; M1035-S1053 WeakPolarHBondContact O-CA 3.39Å; M1035-V1054 PolarHBondContact N-O 3.08Å; M1035-V1054 VanDerWaalsContact N-O 3.16Å; M1035-V1054 PolarHBondContact O-N 2.93Å; M1035-E1132 HydrophobicContact CE-CB 4.39Å; M1035-F1154 HydrophobicContact CB-CB 3.86Å; M1035-F1154 HydrophobicContact CB-CD1 3.83Å; M1035-F1154 HydrophobicContact CB-CD2 3.98Å; M1035-F1154 HydrophobicContact CB-CE1 4.35Å; M1035-F1154 HydrophobicContact CB-CE2 4.46Å; M1035-F1154 HydrophobicContact CB-CG 3.62Å; M1035-F1154 HydrophobicContact CG-CD1 4.16Å; M1035-F1154 HydrophobicContact CG-CG 4.41Å; M1035-F1154 HydrophobicContact SD-CB 4.34Å; M1035-F1154 HydrophobicContact SD-CD1 3.23Å; M1035-F1154 WeakPolarHBondContact SD-CD1 3.45Å; M1035-F1154 HydrophobicContact SD-CE1 3.67Å; M1035-F1154 HydrophobicContact SD-CG 3.98Å |
| 1036 | S | 90.8 | Very high | 90.3 | Very high | 15 Ų | 15 | 37.4 Ų | 37.4 | 11% | 0.105 | 22% | 0.219 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -75.2 | 115.6 | 165.1 | -170.2 | 0 | 0 | 0 | 0 | 109 | Q1051 G1131 | S1036-Q1051 PolarHBondContact OG-NE2 2.91Å; S1036-G1131 CarbonylContact O-C 3.5Å |
| 1037 | L | 93.6 | Very high | 89.9 | Confident | 0 Ų | 0 | 41.1 Ų | 41.1 | 0% | 0 | 24% | 0.243 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -84.6 | -47.4 | -177.4 | -57.7 | -177.2 | 0 | 0 | 0 | 111.3 | L1000 F1025 I1027 M1035 L1052 V1054 L1063 G1131 F1154 I1158 | L1000-L1037 HydrophobicContact CD1-CD2 4.44Å; F1025-L1037 HydrophobicContact CE2-CD1 4.14Å; F1025-L1037 HydrophobicContact CZ-CD1 4.16Å; I1027-L1037 HydrophobicContact CD1-CD1 3.56Å; I1027-L1037 HydrophobicContact CD1-CD2 4.44Å; M1035-L1037 PolarHBondContact O-N 2.92Å; L1037-L1052 PolarHBondContact N-O 3.28Å; L1037-V1054 HydrophobicContact CD1-CG2 3.72Å; L1037-V1054 HydrophobicContact CD2-CG2 4.13Å; L1037-V1054 HydrophobicContact CG-CG2 4.01Å; L1037-L1063 HydrophobicContact CD1-CD1 4Å; L1037-G1131 PolarHBondContact O-N 2.82Å; L1037-F1154 HydrophobicContact CD2-CE1 4.26Å; L1037-F1154 HydrophobicContact CD2-CE2 4.41Å; L1037-F1154 HydrophobicContact CD2-CZ 3.8Å; L1037-I1158 HydrophobicContact CB-CD1 4.24Å; L1037-I1158 HydrophobicContact CD1-CD1 4.36Å; L1037-I1158 HydrophobicContact CD2-CD1 4.2Å |
| 1038 | I | 95.2 | Very high | 89.8 | Confident | 1 Ų | 1 | 41.1 Ų | 41.1 | 1% | 0.005 | 24% | 0.243 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -142.2 | 135.7 | -175 | -58.5 | 157.2 | 0 | 0 | 0 | 107.9 | L1023 F1025 I1040 Q1051 L1052 I1128 Y1129 F1130 L1161 | L1023-I1038 HydrophobicContact CD1-CD1 4.13Å; L1023-I1038 HydrophobicContact CD2-CD1 3.98Å; L1023-I1038 HydrophobicContact CD2-CG2 4.39Å; L1023-I1038 HydrophobicContact CG-CD1 4.39Å; F1025-I1038 HydrophobicContact CD1-CD1 3.87Å; F1025-I1038 HydrophobicContact CE1-CD1 3.64Å; F1025-I1038 HydrophobicContact CZ-CD1 4.3Å; I1038-I1040 HydrophobicContact CG2-CD1 4.47Å; I1038-I1040 HydrophobicContact CG2-CG1 4.05Å; I1038-Q1051 CarbonylContact O-C 3.6Å; I1038-Q1051 WeakPolarHBondContact O-CA 3.34Å; I1038-L1052 HydrophobicContact CB-CB 4.32Å; I1038-L1052 HydrophobicContact CD1-CD2 4.48Å; I1038-L1052 PolarHBondContact N-O 3.25Å; I1038-L1052 PolarHBondContact O-N 2.82Å; I1038-I1128 HydrophobicContact CG2-CG2 4.47Å; I1038-Y1129 CarbonylContact C-O 3.57Å; I1038-Y1129 VanDerWaalsContact CA-O 3.26Å; I1038-Y1129 WeakPolarHBondContact CA-O 3.34Å; I1038-F1130 HydrophobicContact CG1-CD2 4.3Å; I1038-L1161 HydrophobicContact CD1-CD1 3.44Å; I1038-L1161 VanDerWaalsContact CD1-CD1 3.44Å; I1038-L1161 HydrophobicContact CD1-CD2 4.32Å; I1038-L1161 HydrophobicContact CG1-CD1 4.34Å; I1038-L1161 HydrophobicContact CG1-CD2 4.36Å |
| 1039 | H | 94.9 | Very high | 89.7 | Confident | 42 Ų | 42 | 41.6 Ų | 41.6 | 19% | 0.194 | 25% | 0.245 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -135.9 | 115.9 | 170.6 | -178.5 | 85.6 | 0 | 0 | 0 | 108.9 | I1050 Q1051 Y1129 | H1039-I1050 CarbonylContact C-O 3.52Å; H1039-I1050 WeakPolarHBondContact CA-O 3.35Å; H1039-Q1051 HydrophobicContact CB-CG 4.38Å; H1039-Y1129 HydrophobicContact CB-CD2 4.46Å; H1039-Y1129 AromaticContact CD2-CD2 3.82Å; H1039-Y1129 PolarHBondContact N-O 3.01Å; H1039-Y1129 WeakPolarHBondContact O-CD2 3.27Å; H1039-Y1129 PolarHBondContact O-N 3.44Å |
| 1040 | I | 94.2 | Very high | 89.7 | Confident | 1 Ų | 1 | 41.3 Ų | 41.3 | 1% | 0.005 | 24% | 0.244 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.6 | 128.3 | 177.4 | -56 | 171.4 | 0 | 0 | 0 | 106.7 | I1038 F1049 I1050 F1122 L1125 R1127 I1128 L1163 | I1038-I1040 HydrophobicContact CG2-CD1 4.47Å; I1038-I1040 HydrophobicContact CG2-CG1 4.05Å; I1040-F1049 CarbonylContact O-C 3.42Å; I1040-F1049 WeakPolarHBondContact O-CA 3.41Å; I1040-F1049 VanDerWaalsContact O-CB 3.29Å; I1040-F1049 WeakPolarHBondContact O-CB 3.32Å; I1040-I1050 HydrophobicContact CB-CB 4.27Å; I1040-I1050 HydrophobicContact CD1-CB 4.36Å; I1040-I1050 PolarHBondContact N-O 2.64Å; I1040-I1050 PolarHBondContact O-N 3.21Å; I1040-F1122 HydrophobicContact CB-CE2 4.48Å; I1040-F1122 HydrophobicContact CG2-CE2 3.98Å; I1040-F1122 HydrophobicContact CG2-CZ 3.85Å; I1040-L1125 HydrophobicContact CG2-CD1 3.81Å; I1040-L1125 HydrophobicContact CG2-CD2 4.15Å; I1040-L1125 HydrophobicContact CG2-CG 3.65Å; I1040-R1127 CarbonylContact C-O 3.55Å; I1040-R1127 WeakPolarHBondContact CA-O 3.44Å; I1040-I1128 HydrophobicContact CG1-CG1 4.39Å; I1040-I1128 HydrophobicContact CG1-CG2 4.19Å; I1040-I1128 HydrophobicContact CG2-CG1 4.41Å; I1040-L1163 HydrophobicContact CD1-CD1 3.76Å; I1040-L1163 HydrophobicContact CD1-CD2 3.84Å; I1040-L1163 HydrophobicContact CD1-CG 4.46Å |
| 1041 | Q | 92.1 | Very high | 89.9 | Confident | 72 Ų | 72 | 40.1 Ų | 40.1 | 34% | 0.336 | 23% | 0.233 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.4 | 141 | -173.3 | -164.2 | -175.7 | -4.4 | 0 | 0 | 111.8 | K1126 R1127 Y1129 | Q1041-K1126 PolarHBondContact O-N 2.8Å; Q1041-R1127 PolarHBondContact N-O 3.27Å; Q1041-R1127 PolarHBondContact O-N 3.45Å; Q1041-R1127 VanDerWaalsContact O-N 3.09Å; Q1041-Y1129 HydrophobicContact CB-CE2 4.43Å |
| 1042 | G | 89.4 | Confident | 90.1 | Very high | 7 Ų | 7 | 38.4 Ų | 38.4 | 7% | 0.072 | 22% | 0.224 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -67.7 | 160 | 168 | 0 | 0 | 0 | 0 | 0 | 113.9 | D1048 M1124 | G1042-D1048 PolarHBondContact N-O 3.2Å; G1042-M1124 CarbonylContact C-O 3.54Å; G1042-M1124 WeakPolarHBondContact CA-O 3.48Å |
| 1043 | Q | 87.1 | Confident | 90.3 | Very high | 86 Ų | 86 | 36.5 Ų | 36.5 | 40% | 0.402 | 21% | 0.212 | S | C | . | . | S | Bend | trans | -88.6 | 151 | 173 | -173.6 | 168.5 | -12.4 | 0 | 0 | 112.1 | P1015 Q1045 S1046 M1124 K1126 | P1015-Q1043 HydrophobicContact CG-CB 4.24Å; Q1043-Q1045 PolarHBondContact O-N 2.73Å; Q1043-S1046 WeakPolarHBondContact O-CB 3.25Å; Q1043-S1046 PolarHBondContact O-N 3.08Å; Q1043-M1124 HydrophobicContact CB-CB 4.37Å; Q1043-M1124 PolarHBondContact N-O 3.12Å; Q1043-K1126 HydrophobicContact CB-CB 3.7Å; Q1043-K1126 HydrophobicContact CB-CG 3.93Å; Q1043-K1126 HydrophobicContact CG-CG 4.33Å; Q1043-K1126 VanDerWaalsContact OE1-CD 3.26Å |
| 1044 | G | 83.7 | Confident | 90.5 | Very high | 76 Ų | 76 | 36 Ų | 36 | 78% | 0.784 | 21% | 0.206 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 70.9 | -127.4 | 169 | 0 | 0 | 0 | 0 | 0 | 111.8 | S1046 | G1044-S1046 VanDerWaalsContact C-N 3.34Š|
| 1045 | Q | 78.1 | Confident | 90.6 | Very high | 196 Ų | 196 | 35.8 Ų | 35.8 | 92% | 0.916 | 20% | 0.203 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -87.7 | 1.5 | 179.3 | -64.9 | -171.6 | -9.5 | 0 | 0 | 113.7 | Q1043 P1047 | Q1043-Q1045 PolarHBondContact O-N 2.73Å; Q1045-P1047 VanDerWaalsContact O-CD 3.3Å; Q1045-P1047 WeakPolarHBondContact O-CD 3.11Å |
| 1046 | S | 84.5 | Confident | 90.5 | Very high | 21 Ų | 21 | 40.9 Ų | 40.9 | 15% | 0.147 | 23% | 0.226 | C | C | . | . | trans | -61.4 | 119.6 | 177 | 177.1 | 0 | 0 | 0 | 0 | 110.1 | Q1043 G1044 D1048 N1123 | Q1043-S1046 WeakPolarHBondContact O-CB 3.25Å; Q1043-S1046 PolarHBondContact O-N 3.08Å; G1044-S1046 VanDerWaalsContact C-N 3.34Å; S1046-D1048 PolarHBondContact O-N 3.09Å; S1046-D1048 WeakPolarHBondContact OG-CB 3.21Å; S1046-D1048 PolarHBondContact OG-N 3.25Å; S1046-N1123 WeakPolarHBondContact CB-O 3.38Å; S1046-N1123 PolarHBondContact OG-O 3.43Å | ||
| 1047 | P | 85.7 | Confident | 90 | Very high | 78 Ų | 78 | 42.6 Ų | 42.6 | 51% | 0.506 | 23% | 0.234 | S | C | . | . | trans | -81.5 | 5.9 | 175.9 | 36.7 | -36 | 0 | 0 | 0 | 112.3 | Q1045 F1049 N1068 | Q1045-P1047 VanDerWaalsContact O-CD 3.3Å; Q1045-P1047 WeakPolarHBondContact O-CD 3.11Å; P1047-F1049 WeakPolarHBondContact O-CD1 3.39Å; P1047-N1068 PolarHBondContact O-ND2 3.43Å; P1047-N1068 VanDerWaalsContact O-ND2 3.08Å | ||
| 1048 | D | 91.1 | Very high | 89.3 | Confident | 1 Ų | 1 | 51.9 Ų | 51.9 | 1% | 0.005 | 28% | 0.275 | C | S | . | . | trans | -82.1 | 134 | -169.7 | -61.1 | -16.4 | 0 | 0 | 0 | 111.4 | G1042 S1046 N1068 M1069 G1070 F1122 N1123 | G1042-D1048 PolarHBondContact N-O 3.2Å; S1046-D1048 PolarHBondContact O-N 3.09Å; S1046-D1048 WeakPolarHBondContact OG-CB 3.21Å; S1046-D1048 PolarHBondContact OG-N 3.25Å; D1048-N1068 VanDerWaalsContact CA-O 3.23Å; D1048-N1068 WeakPolarHBondContact CA-O 3.44Å; D1048-N1068 WeakPolarHBondContact CB-O 3.29Å; D1048-M1069 VanDerWaalsContact OD1-CA 3.27Å; D1048-M1069 WeakPolarHBondContact OD1-CA 3.41Å; D1048-G1070 PolarHBondContact OD1-N 3.19Å; D1048-F1122 HydrophobicContact CB-CD1 3.88Å; D1048-F1122 HydrophobicContact CB-CE1 3.88Å; D1048-F1122 HydrophobicContact CB-CG 4.29Å; D1048-F1122 HydrophobicContact CB-CZ 4.33Å; D1048-N1123 VanDerWaalsContact OD2-CB 3.27Å; D1048-N1123 WeakPolarHBondContact OD2-CB 3.3Å; D1048-N1123 PolarHBondContact OD2-N 2.92Å; D1048-N1123 PolarHBondContact OD2-ND2 2.95Å | ||
| 1049 | F | 93.1 | Very high | 88.4 | Confident | 32 Ų | 32 | 59.3 Ų | 59.3 | 14% | 0.14 | 31% | 0.314 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -154.4 | 157 | 178.9 | 71.6 | -91.4 | 0 | 0 | 0 | 111.9 | I1040 P1047 Q1051 R1066 F1067 N1068 T1073 | I1040-F1049 CarbonylContact O-C 3.42Å; I1040-F1049 WeakPolarHBondContact O-CA 3.41Å; I1040-F1049 VanDerWaalsContact O-CB 3.29Å; I1040-F1049 WeakPolarHBondContact O-CB 3.32Å; P1047-F1049 WeakPolarHBondContact O-CD1 3.39Å; F1049-Q1051 HydrophobicContact CD2-CB 4.08Å; F1049-Q1051 HydrophobicContact CE2-CB 4.24Å; F1049-R1066 HydrophobicContact CE2-CB 4.1Å; F1049-F1067 CarbonylContact O-C 3.57Å; F1049-F1067 WeakPolarHBondContact O-CA 2.98Å; F1049-F1067 VanDerWaalsContact O-CB 3.25Å; F1049-F1067 WeakPolarHBondContact O-CB 3.44Å; F1049-N1068 HydrophobicContact CD1-CB 3.7Å; F1049-N1068 HydrophobicContact CE1-CB 3.45Å; F1049-N1068 VanDerWaalsContact CE1-CB 3.45Å; F1049-N1068 HydrophobicContact CZ-CB 4.17Å; F1049-N1068 PolarHBondContact N-O 2.82Å; F1049-N1068 VanDerWaalsContact N-O 3.12Å; F1049-N1068 PolarHBondContact O-N 3.43Å; F1049-T1073 HydrophobicContact CZ-CG2 3.89Å |
| 1050 | I | 93.9 | Very high | 87.9 | Confident | 2 Ų | 2 | 61.3 Ų | 61.3 | 1% | 0.01 | 32% | 0.324 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.4 | 122.4 | 165.5 | -66.3 | 159.7 | 0 | 0 | 0 | 107.3 | D1021 H1039 I1040 L1052 V1065 R1066 F1067 M1069 F1093 F1122 | D1021-I1050 HydrophobicContact CB-CD1 4.27Å; H1039-I1050 CarbonylContact C-O 3.52Å; H1039-I1050 WeakPolarHBondContact CA-O 3.35Å; I1040-I1050 HydrophobicContact CB-CB 4.27Å; I1040-I1050 HydrophobicContact CD1-CB 4.36Å; I1040-I1050 PolarHBondContact N-O 2.64Å; I1040-I1050 PolarHBondContact O-N 3.21Å; I1050-L1052 HydrophobicContact CG2-CD1 3.6Å; I1050-V1065 HydrophobicContact CG2-CG1 4.36Å; I1050-R1066 CarbonylContact C-O 3.57Å; I1050-F1067 HydrophobicContact CB-CB 4.41Å; I1050-F1067 HydrophobicContact CG1-CB 3.87Å; I1050-M1069 HydrophobicContact CD1-CE 3.98Å; I1050-M1069 HydrophobicContact CG1-CE 3.72Å; I1050-F1093 HydrophobicContact CD1-CE1 4.11Å; I1050-F1093 HydrophobicContact CG1-CE1 4.34Å; I1050-F1093 HydrophobicContact CG2-CD1 4.25Å; I1050-F1093 HydrophobicContact CG2-CE1 3.81Å; I1050-F1122 HydrophobicContact CB-CE2 4.34Å; I1050-F1122 HydrophobicContact CD1-CD2 3.65Å; I1050-F1122 HydrophobicContact CD1-CE2 3.73Å; I1050-F1122 HydrophobicContact CG1-CD2 3.99Å; I1050-F1122 HydrophobicContact CG1-CE2 3.76Å |
| 1051 | Q | 94.3 | Very high | 87.6 | Confident | 42 Ų | 42 | 61.3 Ų | 61.3 | 20% | 0.196 | 32% | 0.324 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.4 | 125.7 | -179.1 | -174.4 | -179.1 | 10 | 0 | 0 | 110.5 | S1036 I1038 H1039 F1049 S1053 V1065 R1066 | S1036-Q1051 PolarHBondContact OG-NE2 2.91Å; I1038-Q1051 CarbonylContact O-C 3.6Å; I1038-Q1051 WeakPolarHBondContact O-CA 3.34Å; H1039-Q1051 HydrophobicContact CB-CG 4.38Å; F1049-Q1051 HydrophobicContact CD2-CB 4.08Å; F1049-Q1051 HydrophobicContact CE2-CB 4.24Å; Q1051-S1053 PolarHBondContact NE2-OG 3.13Å; Q1051-V1065 CarbonylContact O-C 3.6Å; Q1051-V1065 WeakPolarHBondContact O-CA 3.28Å; Q1051-R1066 HydrophobicContact CB-CB 4.44Å; Q1051-R1066 PolarHBondContact N-O 3.4Å; Q1051-R1066 PolarHBondContact O-N 2.99Å |
| 1052 | L | 95 | Very high | 87.5 | Confident | 0 Ų | 0 | 58 Ų | 58 | 0% | 0 | 31% | 0.308 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.3 | 128.2 | 173 | -75.7 | 74.3 | 0 | 0 | 0 | 109.1 | L1023 F1025 L1037 I1038 I1050 H1064 V1065 | L1023-L1052 HydrophobicContact CD2-CD1 3.46Å; L1023-L1052 VanDerWaalsContact CD2-CD1 3.46Å; L1023-L1052 HydrophobicContact CD2-CD2 3.61Å; L1023-L1052 HydrophobicContact CD2-CG 4.18Å; L1023-L1052 HydrophobicContact CG-CD2 4.47Å; F1025-L1052 HydrophobicContact CE1-CD2 3.63Å; F1025-L1052 HydrophobicContact CZ-CD2 4.03Å; L1037-L1052 PolarHBondContact N-O 3.28Å; I1038-L1052 HydrophobicContact CB-CB 4.32Å; I1038-L1052 HydrophobicContact CD1-CD2 4.48Å; I1038-L1052 PolarHBondContact N-O 3.25Å; I1038-L1052 PolarHBondContact O-N 2.82Å; I1050-L1052 HydrophobicContact CG2-CD1 3.6Å; L1052-H1064 WeakPolarHBondContact CA-O 3.11Å; L1052-V1065 HydrophobicContact CD1-CG1 3.94Å; L1052-V1065 HydrophobicContact CD2-CG2 4.43Å; L1052-V1065 HydrophobicContact CG-CG1 4.21Å; L1052-V1065 HydrophobicContact CG-CG2 4.03Å |
| 1053 | S | 93.3 | Very high | 87.6 | Confident | 10 Ų | 10 | 57.6 Ų | 57.6 | 7% | 0.07 | 31% | 0.305 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -142.6 | 145.5 | -177.2 | -57.2 | 0 | 0 | 0 | 0 | 110.9 | M1035 Q1051 H1064 | M1035-S1053 WeakPolarHBondContact O-CA 3.39Å; Q1051-S1053 PolarHBondContact NE2-OG 3.13Å; S1053-H1064 PolarHBondContact N-O 3.38Å; S1053-H1064 PolarHBondContact O-N 2.87Å |
| 1054 | V | 92.3 | Very high | 87.8 | Confident | 0 Ų | 0 | 54.8 Ų | 54.8 | 0% | 0 | 29% | 0.291 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.2 | 120.4 | 167.4 | -172.4 | 0 | 0 | 0 | 0 | 107.1 | I1027 I1029 T1034 M1035 L1037 L1061 L1063 F1154 | I1027-V1054 HydrophobicContact CD1-CG2 4.44Å; I1029-V1054 HydrophobicContact CD1-CG1 3.95Å; I1029-V1054 HydrophobicContact CD1-CG2 4.26Å; T1034-V1054 WeakPolarHBondContact CA-O 3.45Å; T1034-V1054 WeakPolarHBondContact CB-O 3.2Å; M1035-V1054 PolarHBondContact N-O 3.08Å; M1035-V1054 VanDerWaalsContact N-O 3.16Å; M1035-V1054 PolarHBondContact O-N 2.93Å; L1037-V1054 HydrophobicContact CD1-CG2 3.72Å; L1037-V1054 HydrophobicContact CD2-CG2 4.13Å; L1037-V1054 HydrophobicContact CG-CG2 4.01Å; V1054-L1061 HydrophobicContact CG1-CB 3.95Å; V1054-L1061 HydrophobicContact CG1-CD1 4.48Å; V1054-L1061 HydrophobicContact CG1-CD2 3.99Å; V1054-L1061 HydrophobicContact CG1-CG 4.37Å; V1054-L1063 HydrophobicContact CG2-CD1 4.42Å; V1054-F1154 HydrophobicContact CB-CE2 4.44Å; V1054-F1154 HydrophobicContact CG2-CE2 4.19Å |
| 1055 | L | 90.5 | Very high | 88.2 | Confident | 63 Ų | 63 | 51.1 Ų | 51.1 | 33% | 0.33 | 25% | 0.254 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.2 | 153.6 | -178 | -61.5 | 176.6 | 0 | 0 | 0 | 110.6 | N1062 H1064 | L1055-N1062 PolarHBondContact N-O 3.21Å; L1055-N1062 PolarHBondContact O-N 3.06Å; L1055-H1064 HydrophobicContact CD1-CB 4.01Å; L1055-H1064 HydrophobicContact CG-CB 4.48Å |
| 1056 | H | 86.8 | Confident | 88.8 | Confident | 113 Ų | 113 | 46.8 Ų | 46.8 | 52% | 0.523 | 23% | 0.229 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -77.7 | 129.9 | 172.1 | -88.1 | -62.4 | 0 | 0 | 0 | 111.1 | T1034 Q1060 L1061 | T1034-H1056 HydrophobicContact CG2-CB 4.42Å; H1056-Q1060 WeakPolarHBondContact CA-O 3.46Å; H1056-L1061 VanDerWaalsContact CE1-CD2 3.42Å; H1056-L1061 WeakPolarHBondContact CE1-CD2 3.16Å; H1056-L1061 WeakPolarHBondContact ND1-CD2 3.43Å |
| 1057 | N | 81.3 | Confident | 89.1 | Confident | 51 Ų | 51 | 45.9 Ų | 45.9 | 27% | 0.273 | 22% | 0.223 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -134 | 117 | 170.2 | -175 | 9.1 | 0 | 0 | 0 | 109.6 | N1059 Q1060 | N1057-N1059 VanDerWaalsContact C-N 3.25Å; N1057-N1059 PolarHBondContact O-N 3.34Å; N1057-Q1060 PolarHBondContact N-O 3.16Å; N1057-Q1060 PolarHBondContact O-N 2.98Å |
| 1058 | K | 77.8 | Confident | 89.2 | Confident | 196 Ų | 196 | 43 Ų | 43 | 85% | 0.852 | 20% | 0.203 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 43.1 | 46.4 | 177.2 | -62.6 | 178.8 | -178.1 | -179.8 | 0 | 114.2 | ||
| 1059 | N | 76.8 | Confident | 89 | Confident | 156 Ų | 156 | 43.3 Ų | 43.3 | 83% | 0.834 | 20% | 0.204 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 76.1 | 3.3 | -178.4 | -53.2 | -16.9 | 0 | 0 | 0 | 117.2 | N1057 | N1057-N1059 VanDerWaalsContact C-N 3.25Å; N1057-N1059 PolarHBondContact O-N 3.34Å |
| 1060 | Q | 85.3 | Confident | 88.2 | Confident | 85 Ų | 85 | 43.7 Ų | 43.7 | 40% | 0.397 | 22% | 0.218 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -103 | 154.2 | 170.5 | -64.6 | -177.9 | -20.5 | 0 | 0 | 110.3 | H1056 N1057 N1062 N1082 | H1056-Q1060 WeakPolarHBondContact CA-O 3.46Å; N1057-Q1060 PolarHBondContact N-O 3.16Å; N1057-Q1060 PolarHBondContact O-N 2.98Å; Q1060-N1062 WeakPolarHBondContact CB-OD1 3.37Å; Q1060-N1082 HydrophobicContact CG-CB 4.49Å |
| 1061 | L | 87.8 | Confident | 87.4 | Confident | 1 Ų | 1 | 45.7 Ų | 45.7 | 1% | 0.005 | 24% | 0.238 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -96.6 | 116.2 | 166.5 | -76.6 | 175.5 | 0 | 0 | 0 | 107.6 | P1032 V1054 H1056 N1082 F1083 N1084 | P1032-L1061 HydrophobicContact CB-CD1 3.39Å; V1054-L1061 HydrophobicContact CG1-CB 3.95Å; V1054-L1061 HydrophobicContact CG1-CD1 4.48Å; V1054-L1061 HydrophobicContact CG1-CD2 3.99Å; V1054-L1061 HydrophobicContact CG1-CG 4.37Å; H1056-L1061 VanDerWaalsContact CE1-CD2 3.42Å; H1056-L1061 WeakPolarHBondContact CE1-CD2 3.16Å; H1056-L1061 WeakPolarHBondContact ND1-CD2 3.43Å; L1061-N1082 PolarHBondContact N-OD1 2.1Å; L1061-F1083 HydrophobicContact CB-CB 4.42Å; L1061-F1083 PolarHBondContact O-N 3.42Å; L1061-N1084 HydrophobicContact CB-CB 4.31Å; L1061-N1084 HydrophobicContact CD1-CB 4.08Å; L1061-N1084 HydrophobicContact CG-CB 4.39Å |
| 1062 | N | 90.1 | Very high | 86.7 | Confident | 1 Ų | 1 | 45.3 Ų | 45.3 | 1% | 0.005 | 25% | 0.246 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.9 | 152.3 | 178.8 | -60.1 | 93.6 | 0 | 0 | 0 | 109.5 | L1055 Q1060 Q1078 P1079 V1081 | L1055-N1062 PolarHBondContact N-O 3.21Å; L1055-N1062 PolarHBondContact O-N 3.06Å; Q1060-N1062 WeakPolarHBondContact CB-OD1 3.37Å; N1062-Q1078 PolarHBondContact ND2-O 2.84Å; N1062-P1079 PolarHBondContact ND2-O 3.03Å; N1062-V1081 PolarHBondContact ND2-O 3.22Å |
| 1063 | L | 90.9 | Very high | 86.2 | Confident | 0 Ų | 0 | 48.6 Ų | 48.6 | 0% | 0 | 27% | 0.266 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -81.7 | 127.9 | 171 | -174.1 | 77.4 | 0 | 0 | 0 | 109.4 | L1037 V1054 F1077 Q1078 F1083 V1091 L1102 | L1037-L1063 HydrophobicContact CD1-CD1 4Å; V1054-L1063 HydrophobicContact CG2-CD1 4.42Å; L1063-F1077 VanDerWaalsContact O-CA 3.26Å; L1063-F1077 WeakPolarHBondContact O-CA 3.26Å; L1063-Q1078 PolarHBondContact O-N 2.84Å; L1063-F1083 HydrophobicContact CB-CD2 4.28Å; L1063-F1083 HydrophobicContact CB-CE2 3.56Å; L1063-F1083 HydrophobicContact CB-CZ 3.69Å; L1063-F1083 HydrophobicContact CD2-CZ 4.36Å; L1063-V1091 HydrophobicContact CD2-CB 4.26Å; L1063-V1091 HydrophobicContact CD2-CG1 3.33Å; L1063-V1091 HydrophobicContact CD2-CG2 3.87Å; L1063-L1102 HydrophobicContact CD2-CD1 4.07Å |
| 1064 | H | 91.3 | Very high | 85.8 | Confident | 26 Ų | 26 | 49.6 Ų | 49.6 | 12% | 0.12 | 27% | 0.27 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113 | 133.4 | 174.2 | -74.1 | -115.5 | 0 | 0 | 0 | 109.7 | L1052 S1053 L1055 L1076 F1077 | L1052-H1064 WeakPolarHBondContact CA-O 3.11Å; S1053-H1064 PolarHBondContact N-O 3.38Å; S1053-H1064 PolarHBondContact O-N 2.87Å; L1055-H1064 HydrophobicContact CD1-CB 4.01Å; L1055-H1064 HydrophobicContact CG-CB 4.48Å; H1064-L1076 CarbonylContact C-O 3.53Å; H1064-L1076 WeakPolarHBondContact CA-O 3.37Å; H1064-F1077 AromaticContact CE1-CG 3.93Å |
| 1065 | V | 92.8 | Very high | 85.4 | Confident | 0 Ų | 0 | 52.4 Ų | 52.4 | 0% | 0 | 29% | 0.287 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.2 | 117.2 | 169 | -169.2 | 0 | 0 | 0 | 0 | 107.9 | I1050 Q1051 L1052 F1067 T1075 L1076 F1093 L1102 | I1050-V1065 HydrophobicContact CG2-CG1 4.36Å; Q1051-V1065 CarbonylContact O-C 3.6Å; Q1051-V1065 WeakPolarHBondContact O-CA 3.28Å; L1052-V1065 HydrophobicContact CD1-CG1 3.94Å; L1052-V1065 HydrophobicContact CD2-CG2 4.43Å; L1052-V1065 HydrophobicContact CG-CG1 4.21Å; L1052-V1065 HydrophobicContact CG-CG2 4.03Å; V1065-F1067 HydrophobicContact CG1-CD1 4.34Å; V1065-T1075 CarbonylContact O-C 3.59Å; V1065-T1075 VanDerWaalsContact O-CA 3.3Å; V1065-T1075 WeakPolarHBondContact O-CA 3.26Å; V1065-L1076 HydrophobicContact CB-CB 4.33Å; V1065-L1076 PolarHBondContact N-O 2.88Å; V1065-L1076 PolarHBondContact O-N 3.45Å; V1065-F1093 HydrophobicContact CB-CD2 4.41Å; V1065-F1093 HydrophobicContact CB-CE2 4.45Å; V1065-F1093 HydrophobicContact CG1-CD1 4.41Å; V1065-F1093 HydrophobicContact CG1-CD2 3.84Å; V1065-F1093 HydrophobicContact CG1-CE1 4.28Å; V1065-F1093 HydrophobicContact CG1-CE2 3.69Å; V1065-F1093 HydrophobicContact CG1-CG 4.19Å; V1065-F1093 HydrophobicContact CG1-CZ 3.92Å; V1065-F1093 HydrophobicContact CG2-CD2 4.21Å; V1065-L1102 HydrophobicContact CG2-CD1 3.81Å; V1065-L1102 HydrophobicContact CG2-CD2 3.92Å; V1065-L1102 HydrophobicContact CG2-CG 4.39Å |
| 1066 | R | 90.8 | Very high | 85.2 | Confident | 104 Ų | 104 | 49.6 Ų | 49.6 | 39% | 0.392 | 27% | 0.272 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.5 | 132.2 | 172.7 | -63.5 | 179.5 | 65.1 | -167.8 | -1.2 | 109 | F1049 I1050 Q1051 T1073 Q1074 T1075 | F1049-R1066 HydrophobicContact CE2-CB 4.1Å; I1050-R1066 CarbonylContact C-O 3.57Å; Q1051-R1066 HydrophobicContact CB-CB 4.44Å; Q1051-R1066 PolarHBondContact N-O 3.4Å; Q1051-R1066 PolarHBondContact O-N 2.99Å; R1066-T1073 HydrophobicContact CB-CG2 4.27Å; R1066-Q1074 CarbonylContact C-O 3.53Å; R1066-Q1074 VanDerWaalsContact CA-O 3.23Å; R1066-Q1074 WeakPolarHBondContact CA-O 3.18Å; R1066-T1075 HydrophobicContact CG-CG2 4.02Å |
| 1067 | F | 90.3 | Very high | 85 | Confident | 3 Ų | 3 | 47.9 Ų | 47.9 | 1% | 0.013 | 26% | 0.263 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -146.5 | 155.4 | 177 | 63.8 | -90.1 | 0 | 0 | 0 | 112.2 | F1049 I1050 V1065 M1069 T1073 Q1074 L1076 F1093 S1100 | F1049-F1067 CarbonylContact O-C 3.57Å; F1049-F1067 WeakPolarHBondContact O-CA 2.98Å; F1049-F1067 VanDerWaalsContact O-CB 3.25Å; F1049-F1067 WeakPolarHBondContact O-CB 3.44Å; I1050-F1067 HydrophobicContact CB-CB 4.41Å; I1050-F1067 HydrophobicContact CG1-CB 3.87Å; V1065-F1067 HydrophobicContact CG1-CD1 4.34Å; F1067-M1069 HydrophobicContact CB-CE 4.12Å; F1067-M1069 HydrophobicContact CD2-CE 3.93Å; F1067-M1069 HydrophobicContact CD2-CG 4.22Å; F1067-M1069 HydrophobicContact CG-CE 4.4Å; F1067-T1073 CarbonylContact O-C 3.56Å; F1067-T1073 WeakPolarHBondContact O-CA 3.46Å; F1067-Q1074 HydrophobicContact CD1-CB 4.28Å; F1067-Q1074 HydrophobicContact CD2-CB 4.2Å; F1067-Q1074 HydrophobicContact CE1-CB 3.89Å; F1067-Q1074 HydrophobicContact CE2-CB 3.8Å; F1067-Q1074 VanDerWaalsContact CE2-CD 3.43Å; F1067-Q1074 HydrophobicContact CE2-CG 3.95Å; F1067-Q1074 HydrophobicContact CG-CB 4.43Å; F1067-Q1074 HydrophobicContact CZ-CB 3.63Å; F1067-Q1074 HydrophobicContact CZ-CG 4.13Å; F1067-Q1074 VanDerWaalsContact CZ-OE1 3.29Å; F1067-Q1074 PolarHBondContact N-O 3.25Å; F1067-Q1074 PolarHBondContact O-N 3.44Å; F1067-L1076 HydrophobicContact CE1-CD1 4.11Å; F1067-L1076 HydrophobicContact CE1-CG 4.16Å; F1067-F1093 HydrophobicContact CD1-CE2 4.38Å; F1067-F1093 HydrophobicContact CD1-CZ 4.06Å; F1067-F1093 HydrophobicContact CE1-CE2 4.35Å; F1067-F1093 HydrophobicContact CE1-CZ 4.32Å; F1067-S1100 WeakPolarHBondContact CZ-OG 3.4Å |
| 1068 | N | 87.7 | Confident | 85 | Confident | 18 Ų | 18 | 45.5 Ų | 45.5 | 10% | 0.096 | 25% | 0.251 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.2 | 137.2 | 175.6 | -175.1 | 16.6 | 0 | 0 | 0 | 108.7 | P1047 D1048 F1049 G1070 G1072 | P1047-N1068 PolarHBondContact O-ND2 3.43Å; P1047-N1068 VanDerWaalsContact O-ND2 3.08Å; D1048-N1068 VanDerWaalsContact CA-O 3.23Å; D1048-N1068 WeakPolarHBondContact CA-O 3.44Å; D1048-N1068 WeakPolarHBondContact CB-O 3.29Å; F1049-N1068 HydrophobicContact CD1-CB 3.7Å; F1049-N1068 HydrophobicContact CE1-CB 3.45Å; F1049-N1068 VanDerWaalsContact CE1-CB 3.45Å; F1049-N1068 HydrophobicContact CZ-CB 4.17Å; F1049-N1068 PolarHBondContact N-O 2.82Å; F1049-N1068 VanDerWaalsContact N-O 3.12Å; F1049-N1068 PolarHBondContact O-N 3.43Å; N1068-G1070 PolarHBondContact OD1-N 2.74Å; N1068-G1070 VanDerWaalsContact OD1-N 3.16Å; N1068-G1072 WeakPolarHBondContact OD1-CA 3.48Å; N1068-G1072 PolarHBondContact OD1-N 3.27Å; N1068-G1072 PolarHBondContact OD1-O 3.34Å |
| 1069 | M | 86 | Confident | 85.1 | Confident | 6 Ų | 6 | 38.6 Ų | 38.6 | 3% | 0.03 | 23% | 0.226 | C | C | . | . | S | Bend | trans | -128.9 | 25.4 | -179.2 | -57.1 | -65.9 | 156.1 | 0 | 0 | 111.2 | D1048 I1050 F1067 N1119 F1122 | D1048-M1069 VanDerWaalsContact OD1-CA 3.27Å; D1048-M1069 WeakPolarHBondContact OD1-CA 3.41Å; I1050-M1069 HydrophobicContact CD1-CE 3.98Å; I1050-M1069 HydrophobicContact CG1-CE 3.72Å; F1067-M1069 HydrophobicContact CB-CE 4.12Å; F1067-M1069 HydrophobicContact CD2-CE 3.93Å; F1067-M1069 HydrophobicContact CD2-CG 4.22Å; F1067-M1069 HydrophobicContact CG-CE 4.4Å; M1069-N1119 HydrophobicContact CB-CB 4.28Å; M1069-N1119 WeakPolarHBondContact O-CA 3.43Å; M1069-N1119 WeakPolarHBondContact O-CB 3.17Å; M1069-N1119 PolarHBondContact O-OD1 3.39Å; M1069-F1122 HydrophobicContact CE-CB 4.32Å; M1069-F1122 HydrophobicContact CE-CD2 3.68Å; M1069-F1122 HydrophobicContact CE-CE2 4.42Å; M1069-F1122 HydrophobicContact CE-CG 4.36Å; M1069-F1122 HydrophobicContact SD-CB 3.62Å; M1069-F1122 HydrophobicContact SD-CD2 3.97Å; M1069-F1122 HydrophobicContact SD-CG 4.05Å |
| 1070 | G | 78.3 | Confident | 85.3 | Confident | 41 Ų | 41 | 37 Ų | 37 | 42% | 0.423 | 22% | 0.217 | S | C | . | . | S | Bend | trans | 101.5 | -23 | -172.5 | 0 | 0 | 0 | 0 | 0 | 114.8 | D1048 N1068 N1119 | D1048-G1070 PolarHBondContact OD1-N 3.19Å; N1068-G1070 PolarHBondContact OD1-N 2.74Å; N1068-G1070 VanDerWaalsContact OD1-N 3.16Å; G1070-N1119 VanDerWaalsContact C-CG 3.44Å; G1070-N1119 WeakPolarHBondContact CA-OD1 3.48Å |
| 1071 | G | 75.9 | Confident | 85.2 | Confident | 43 Ų | 43 | 33 Ų | 33 | 44% | 0.443 | 20% | 0.199 | S | C | . | . | S | Bend | trans | -91 | 1.2 | -174.6 | 0 | 0 | 0 | 0 | 0 | 116.2 | N1119 | G1071-N1119 WeakPolarHBondContact CA-ND2 3.03Å; G1071-N1119 PolarHBondContact N-ND2 3.08Å; G1071-N1119 PolarHBondContact N-OD1 3.04Å |
| 1072 | G | 80.2 | Confident | 85.3 | Confident | 35 Ų | 35 | 35.2 Ų | 35.2 | 36% | 0.361 | 21% | 0.21 | S | C | . | . | trans | 103.9 | 166.1 | -171.7 | 0 | 0 | 0 | 0 | 0 | 112.7 | N1068 Q1074 | N1068-G1072 WeakPolarHBondContact OD1-CA 3.48Å; N1068-G1072 PolarHBondContact OD1-N 3.27Å; N1068-G1072 PolarHBondContact OD1-O 3.34Å; G1072-Q1074 PolarHBondContact O-N 2.89Å | ||
| 1073 | T | 84.5 | Confident | 85.2 | Confident | 69 Ų | 69 | 35.2 Ų | 35.2 | 42% | 0.423 | 21% | 0.211 | S | C | . | . | trans | -76.6 | 119.1 | -173 | -58.1 | 0 | 0 | 0 | 0 | 111.6 | F1049 R1066 F1067 | F1049-T1073 HydrophobicContact CZ-CG2 3.89Å; R1066-T1073 HydrophobicContact CB-CG2 4.27Å; F1067-T1073 CarbonylContact O-C 3.56Å; F1067-T1073 WeakPolarHBondContact O-CA 3.46Å | ||
| 1074 | Q | 83.8 | Confident | 85 | Confident | 31 Ų | 31 | 38.8 Ų | 38.8 | 15% | 0.145 | 23% | 0.229 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -92.6 | 151.2 | 168.3 | -55.7 | -168.3 | 39 | 0 | 0 | 110.5 | R1066 F1067 G1072 | R1066-Q1074 CarbonylContact C-O 3.53Å; R1066-Q1074 VanDerWaalsContact CA-O 3.23Å; R1066-Q1074 WeakPolarHBondContact CA-O 3.18Å; F1067-Q1074 HydrophobicContact CD1-CB 4.28Å; F1067-Q1074 HydrophobicContact CD2-CB 4.2Å; F1067-Q1074 HydrophobicContact CE1-CB 3.89Å; F1067-Q1074 HydrophobicContact CE2-CB 3.8Å; F1067-Q1074 VanDerWaalsContact CE2-CD 3.43Å; F1067-Q1074 HydrophobicContact CE2-CG 3.95Å; F1067-Q1074 HydrophobicContact CG-CB 4.43Å; F1067-Q1074 HydrophobicContact CZ-CB 3.63Å; F1067-Q1074 HydrophobicContact CZ-CG 4.13Å; F1067-Q1074 VanDerWaalsContact CZ-OE1 3.29Å; F1067-Q1074 PolarHBondContact N-O 3.25Å; F1067-Q1074 PolarHBondContact O-N 3.44Å; G1072-Q1074 PolarHBondContact O-N 2.89Å |
| 1075 | T | 85.2 | Confident | 84.9 | Confident | 58 Ų | 58 | 39.9 Ų | 39.9 | 36% | 0.356 | 24% | 0.236 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -134.7 | 124.3 | 175.5 | -55.9 | 0 | 0 | 0 | 0 | 109.8 | V1065 R1066 | V1065-T1075 CarbonylContact O-C 3.59Å; V1065-T1075 VanDerWaalsContact O-CA 3.3Å; V1065-T1075 WeakPolarHBondContact O-CA 3.26Å; R1066-T1075 HydrophobicContact CG-CG2 4.02Å |
| 1076 | L | 85.7 | Confident | 84.7 | Confident | 5 Ų | 5 | 41.1 Ų | 41.1 | 3% | 0.026 | 25% | 0.249 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.8 | 146.1 | 165.4 | -55.5 | 172.1 | 0 | 0 | 0 | 108.1 | H1064 V1065 F1067 F1093 S1100 L1102 I1110 K1112 | H1064-L1076 CarbonylContact C-O 3.53Å; H1064-L1076 WeakPolarHBondContact CA-O 3.37Å; V1065-L1076 HydrophobicContact CB-CB 4.33Å; V1065-L1076 PolarHBondContact N-O 2.88Å; V1065-L1076 PolarHBondContact O-N 3.45Å; F1067-L1076 HydrophobicContact CE1-CD1 4.11Å; F1067-L1076 HydrophobicContact CE1-CG 4.16Å; L1076-F1093 HydrophobicContact CD1-CD2 4.37Å; L1076-F1093 HydrophobicContact CD1-CE2 3.9Å; L1076-S1100 WeakPolarHBondContact CD1-OG 3.43Å; L1076-L1102 HydrophobicContact CB-CD2 4.41Å; L1076-L1102 HydrophobicContact CD1-CB 4.23Å; L1076-I1110 HydrophobicContact CD2-CG2 4.27Å; L1076-K1112 HydrophobicContact CD2-CB 3.7Å; L1076-K1112 HydrophobicContact CD2-CD 4.35Å |
| 1077 | F | 82.9 | Confident | 84.7 | Confident | 77 Ų | 77 | 38.4 Ų | 38.4 | 34% | 0.338 | 24% | 0.241 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -150.4 | 146.8 | 169.5 | 68 | -82.3 | 0 | 0 | 0 | 109.2 | L1063 H1064 P1079 I1110 | L1063-F1077 VanDerWaalsContact O-CA 3.26Å; L1063-F1077 WeakPolarHBondContact O-CA 3.26Å; H1064-F1077 AromaticContact CE1-CG 3.93Å; F1077-P1079 HydrophobicContact CD2-CB 4.33Å; F1077-P1079 HydrophobicContact CE2-CB 3.94Å; F1077-P1079 HydrophobicContact CE2-CG 4.28Å; F1077-P1079 WeakPolarHBondContact O-CD 3.35Å; F1077-I1110 WeakPolarHBondContact O-CD1 3.38Å |
| 1078 | Q | 81.6 | Confident | 84.8 | Confident | 0 Ų | 0 | 38.2 Ų | 38.2 | 0% | 0 | 24% | 0.24 | C | C | . | . | trans | -98 | 98 | -179.3 | -177.5 | 51.3 | -100.2 | 0 | 0 | 110.4 | N1062 L1063 N1080 V1081 L1102 V1104 H1108 | N1062-Q1078 PolarHBondContact ND2-O 2.84Å; L1063-Q1078 PolarHBondContact O-N 2.84Å; Q1078-N1080 VanDerWaalsContact C-N 3.3Å; Q1078-N1080 PolarHBondContact O-N 3.24Å; Q1078-V1081 HydrophobicContact CG-CB 4.09Å; Q1078-V1081 HydrophobicContact CG-CG2 3.82Å; Q1078-L1102 HydrophobicContact CB-CD2 4.22Å; Q1078-V1104 HydrophobicContact CB-CG2 4.22Å; Q1078-V1104 HydrophobicContact CG-CB 4.37Å; Q1078-V1104 HydrophobicContact CG-CG2 4.05Å; Q1078-H1108 HydrophobicContact CG-CB 4.11Å; Q1078-H1108 VanDerWaalsContact NE2-CB 3.3Å; Q1078-H1108 PolarHBondContact NE2-O 2.83Å | ||
| 1079 | P | 78.3 | Confident | 85 | Confident | 52 Ų | 52 | 37.4 Ų | 37.4 | 34% | 0.338 | 24% | 0.236 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -71.2 | -23.7 | -176.5 | 28.2 | -33.5 | 0 | 0 | 0 | 113.2 | N1062 F1077 V1081 | N1062-P1079 PolarHBondContact ND2-O 3.03Å; F1077-P1079 HydrophobicContact CD2-CB 4.33Å; F1077-P1079 HydrophobicContact CE2-CB 3.94Å; F1077-P1079 HydrophobicContact CE2-CG 4.28Å; F1077-P1079 WeakPolarHBondContact O-CD 3.35Å; P1079-V1081 VanDerWaalsContact C-N 3.3Å; P1079-V1081 PolarHBondContact O-N 2.91Å |
| 1080 | N | 81.4 | Confident | 85.3 | Confident | 122 Ų | 122 | 37.2 Ų | 37.2 | 65% | 0.652 | 24% | 0.235 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -82.8 | -6.9 | -171.9 | -62 | -35.3 | 0 | 0 | 0 | 113.6 | Q1078 | Q1078-N1080 VanDerWaalsContact C-N 3.3Å; Q1078-N1080 PolarHBondContact O-N 3.24Å |
| 1081 | V | 84.7 | Confident | 85.9 | Confident | 1 Ų | 1 | 35.3 Ų | 35.3 | 1% | 0.006 | 22% | 0.215 | C | C | . | . | trans | -119.4 | 116.4 | -179 | -175.7 | 0 | 0 | 0 | 0 | 109.7 | N1062 Q1078 P1079 F1083 V1104 H1108 | N1062-V1081 PolarHBondContact ND2-O 3.22Å; Q1078-V1081 HydrophobicContact CG-CB 4.09Å; Q1078-V1081 HydrophobicContact CG-CG2 3.82Å; P1079-V1081 VanDerWaalsContact C-N 3.3Å; P1079-V1081 PolarHBondContact O-N 2.91Å; V1081-F1083 HydrophobicContact CB-CE2 4.15Å; V1081-F1083 HydrophobicContact CG1-CD2 4.15Å; V1081-F1083 HydrophobicContact CG1-CE2 3.85Å; V1081-F1083 HydrophobicContact CG1-CZ 4.23Å; V1081-V1104 HydrophobicContact CB-CG1 4.28Å; V1081-V1104 HydrophobicContact CG1-CG1 3.94Å; V1081-V1104 HydrophobicContact CG2-CB 4.13Å; V1081-V1104 HydrophobicContact CG2-CG1 3.99Å; V1081-H1108 HydrophobicContact CG2-CB 4.33Å | ||
| 1082 | N | 87.8 | Confident | 86.6 | Confident | 47 Ų | 47 | 34 Ų | 34 | 25% | 0.251 | 20% | 0.197 | S | C | . | . | trans | -92.3 | 114.2 | 171.1 | -177 | 11.1 | 0 | 0 | 0 | 109.7 | Q1060 L1061 N1084 | Q1060-N1082 HydrophobicContact CG-CB 4.49Å; L1061-N1082 PolarHBondContact N-OD1 2.1Å; N1082-N1084 PolarHBondContact O-N 2.86Å; N1082-N1084 VanDerWaalsContact OD1-CB 3.29Å; N1082-N1084 WeakPolarHBondContact OD1-CB 3.07Å; N1082-N1084 PolarHBondContact OD1-N 3.44Å | ||
| 1083 | F | 89.7 | Confident | 87.1 | Confident | 2 Ų | 2 | 32.4 Ų | 32.4 | 1% | 0.009 | 18% | 0.18 | C | C | . | . | G | 310 helix | trans | -78.8 | -2.2 | 179.4 | -71.9 | -100.9 | 0 | 0 | 0 | 113 | I1027 I1029 L1061 L1063 V1081 D1085 H1089 V1091 V1104 | I1027-F1083 HydrophobicContact CG2-CD1 3.94Å; I1027-F1083 HydrophobicContact CG2-CE1 3.66Å; I1029-F1083 HydrophobicContact CD1-CB 3.65Å; L1061-F1083 HydrophobicContact CB-CB 4.42Å; L1061-F1083 PolarHBondContact O-N 3.42Å; L1063-F1083 HydrophobicContact CB-CD2 4.28Å; L1063-F1083 HydrophobicContact CB-CE2 3.56Å; L1063-F1083 HydrophobicContact CB-CZ 3.69Å; L1063-F1083 HydrophobicContact CD2-CZ 4.36Å; V1081-F1083 HydrophobicContact CB-CE2 4.15Å; V1081-F1083 HydrophobicContact CG1-CD2 4.15Å; V1081-F1083 HydrophobicContact CG1-CE2 3.85Å; V1081-F1083 HydrophobicContact CG1-CZ 4.23Å; F1083-D1085 PolarHBondContact O-N 3.29Å; F1083-H1089 HydrophobicContact CD1-CB 4.47Å; F1083-H1089 AromaticContact CD1-CD2 3.69Å; F1083-H1089 HydrophobicContact CE1-CB 3.96Å; F1083-H1089 AromaticContact CE1-CD2 3.99Å; F1083-V1091 HydrophobicContact CE1-CG2 4.02Å; F1083-V1091 HydrophobicContact CZ-CG2 4.17Å; F1083-V1104 HydrophobicContact CZ-CG1 3.92Å; F1083-V1104 HydrophobicContact CZ-CG2 4.22Å |
| 1084 | N | 86.9 | Confident | 87.3 | Confident | 74 Ų | 74 | 29.8 Ų | 29.8 | 40% | 0.396 | 16% | 0.164 | S | C | . | . | G | 310 helix | trans | -85.2 | 17.9 | 171.9 | -168 | 20.7 | 0 | 0 | 0 | 113.3 | P1032 L1061 N1082 | P1032-N1084 VanDerWaalsContact CB-OD1 3.23Å; P1032-N1084 WeakPolarHBondContact CB-OD1 3.21Å; P1032-N1084 VanDerWaalsContact CG-OD1 3.29Å; P1032-N1084 WeakPolarHBondContact CG-OD1 2.94Å; L1061-N1084 HydrophobicContact CB-CB 4.31Å; L1061-N1084 HydrophobicContact CD1-CB 4.08Å; L1061-N1084 HydrophobicContact CG-CB 4.39Å; N1082-N1084 PolarHBondContact O-N 2.86Å; N1082-N1084 VanDerWaalsContact OD1-CB 3.29Å; N1082-N1084 WeakPolarHBondContact OD1-CB 3.07Å; N1082-N1084 PolarHBondContact OD1-N 3.44Å |
| 1085 | D | 88.3 | Confident | 87.5 | Confident | 49 Ų | 49 | 28.3 Ų | 28.3 | 26% | 0.262 | 16% | 0.157 | S | C | . | . | G | 310 helix | trans | -89.1 | -4.2 | -178.3 | 69.4 | 12.4 | 0 | 0 | 0 | 113.4 | F1083 H1087 H1089 K1200 | F1083-D1085 PolarHBondContact O-N 3.29Å; D1085-H1087 PolarHBondContact O-CE1 2.95Å; D1085-H1087 PolarHBondContact O-N 3.4Å; D1085-H1087 PolarHBondContact O-ND1 3.37Å; D1085-H1087 VanDerWaalsContact OD1-CB 3.31Å; D1085-H1087 WeakPolarHBondContact OD1-CB 3.41Å; D1085-H1087 IonicContact OD1-CG 3.73Å; D1085-H1087 PolarHBondContact OD1-N 2.91Å; D1085-H1087 IonicContact OD1-ND1 2.81Å; D1085-H1087 PolarHBondContact OD1-ND1 2.85Å; D1085-H1087 IonicContact OD2-ND1 2.92Å; D1085-H1089 IonicContact OD1-CE1 3.66Å; D1085-H1089 IonicContact OD1-NE2 3.93Å; D1085-H1089 PolarHBondContact OD1-NE2 2.66Å; D1085-H1089 IonicContact OD2-CE1 3.29Å; D1085-H1089 PolarHBondContact OD2-CE1 2.92Å; D1085-H1089 IonicContact OD2-NE2 2.61Å; D1085-H1089 PolarHBondContact OD2-NE2 2.84Å; D1085-K1200 IonicContact OD2-NZ 2.67Å; D1085-K1200 PolarHBondContact OD2-NZ 3.05Å |
| 1086 | G | 88.5 | Confident | 87.3 | Confident | 27 Ų | 27 | 27.2 Ų | 27.2 | 28% | 0.278 | 15% | 0.147 | S | C | . | . | S | Bend | trans | 68.6 | 10.1 | -178.5 | 0 | 0 | 0 | 0 | 0 | 114.6 | N1197 | G1086-N1197 PolarHBondContact O-ND2 3.03Š|
| 1087 | H | 91.8 | Very high | 87.1 | Confident | 46 Ų | 46 | 30.5 Ų | 30.5 | 21% | 0.213 | 16% | 0.162 | C | C | . | . | trans | -91.5 | 164 | 175.4 | -62.3 | 85.9 | 0 | 0 | 0 | 111.1 | D1085 N1197 K1200 | D1085-H1087 PolarHBondContact O-CE1 2.95Å; D1085-H1087 PolarHBondContact O-N 3.4Å; D1085-H1087 PolarHBondContact O-ND1 3.37Å; D1085-H1087 VanDerWaalsContact OD1-CB 3.31Å; D1085-H1087 WeakPolarHBondContact OD1-CB 3.41Å; D1085-H1087 IonicContact OD1-CG 3.73Å; D1085-H1087 PolarHBondContact OD1-N 2.91Å; D1085-H1087 IonicContact OD1-ND1 2.81Å; D1085-H1087 PolarHBondContact OD1-ND1 2.85Å; D1085-H1087 IonicContact OD2-ND1 2.92Å; H1087-N1197 PolarHBondContact CD2-ND2 3.27Å; H1087-K1200 HydrophobicContact CB-CB 3.97Å; H1087-K1200 HydrophobicContact CB-CD 4.33Å | ||
| 1088 | F | 91.8 | Very high | 86.7 | Confident | 0 Ų | 0 | 27.6 Ų | 27.6 | 0% | 0 | 15% | 0.152 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -83.6 | 134.6 | 170.8 | -173.7 | -94.3 | 0 | 0 | 0 | 109.9 | F986 G1026 I1027 Q1028 I1090 T1159 F1194 P1196 N1197 M1198 L1201 | F986-F1088 AromaticContact CE2-CE1 3.82Å; F986-F1088 HydrophobicContact CE2-CE1 3.82Å; F986-F1088 HydrophobicContact CE2-CZ 4.47Å; F986-F1088 HydrophobicContact CZ-CD1 4.36Å; F986-F1088 AromaticContact CZ-CE1 3.67Å; F986-F1088 HydrophobicContact CZ-CE1 3.67Å; F986-F1088 HydrophobicContact CZ-CZ 4.29Å; G1026-F1088 VanDerWaalsContact CA-CZ 3.44Å; I1027-F1088 WeakPolarHBondContact O-CA 3.45Å; Q1028-F1088 HydrophobicContact CB-CB 4.46Å; Q1028-F1088 HydrophobicContact CB-CD2 4.08Å; F1088-I1090 HydrophobicContact CE1-CG1 4.1Å; F1088-T1159 HydrophobicContact CE2-CG2 3.78Å; F1088-T1159 VanDerWaalsContact CE2-OG1 3.22Å; F1088-T1159 WeakPolarHBondContact CE2-OG1 3.5Å; F1088-T1159 HydrophobicContact CZ-CG2 4.44Å; F1088-T1159 WeakPolarHBondContact CZ-OG1 3.29Å; F1088-F1194 HydrophobicContact CD2-CE1 4.22Å; F1088-F1194 HydrophobicContact CE2-CE1 4.24Å; F1088-P1196 HydrophobicContact CB-CB 3.87Å; F1088-P1196 HydrophobicContact CD1-CB 4.25Å; F1088-P1196 HydrophobicContact CD2-CB 3.49Å; F1088-P1196 VanDerWaalsContact CD2-CB 3.49Å; F1088-P1196 HydrophobicContact CE2-CB 3.99Å; F1088-P1196 HydrophobicContact CG-CB 3.62Å; F1088-N1197 PolarHBondContact N-O 3.08Å; F1088-N1197 VanDerWaalsContact N-O 3.1Å; F1088-M1198 HydrophobicContact CB-SD 4.23Å; F1088-M1198 HydrophobicContact CD1-SD 3.7Å; F1088-M1198 HydrophobicContact CE1-SD 4.32Å; F1088-M1198 HydrophobicContact CG-SD 4.18Å; F1088-L1201 HydrophobicContact CD1-CD1 3.51Å; F1088-L1201 HydrophobicContact CE1-CD1 4.24Å; F1088-L1201 HydrophobicContact CG-CD1 4.49Å; F1088-L1201 VanDerWaalsContact O-CD1 3.23Å; F1088-L1201 WeakPolarHBondContact O-CD1 3.28Å |
| 1089 | H | 92.1 | Very high | 86.5 | Confident | 1 Ų | 1 | 33.5 Ų | 33.5 | 1% | 0.005 | 18% | 0.178 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.2 | 149.4 | 177.1 | -59.7 | -69 | 0 | 0 | 0 | 111.2 | G1026 I1027 F1083 D1085 V1104 D1105 K1200 | G1026-H1089 CarbonylContact C-O 3.46Å; G1026-H1089 VanDerWaalsContact CA-O 3.29Å; G1026-H1089 WeakPolarHBondContact CA-O 2.81Å; I1027-H1089 HydrophobicContact CG2-CB 4.07Å; I1027-H1089 PolarHBondContact N-O 3.1Å; I1027-H1089 PolarHBondContact O-N 3.47Å; F1083-H1089 HydrophobicContact CD1-CB 4.47Å; F1083-H1089 AromaticContact CD1-CD2 3.69Å; F1083-H1089 HydrophobicContact CE1-CB 3.96Å; F1083-H1089 AromaticContact CE1-CD2 3.99Å; D1085-H1089 IonicContact OD1-CE1 3.66Å; D1085-H1089 IonicContact OD1-NE2 3.93Å; D1085-H1089 PolarHBondContact OD1-NE2 2.66Å; D1085-H1089 IonicContact OD2-CE1 3.29Å; D1085-H1089 PolarHBondContact OD2-CE1 2.92Å; D1085-H1089 IonicContact OD2-NE2 2.61Å; D1085-H1089 PolarHBondContact OD2-NE2 2.84Å; H1089-V1104 HydrophobicContact CB-CG1 4.33Å; H1089-D1105 VanDerWaalsContact CA-OD1 3.25Å; H1089-D1105 WeakPolarHBondContact CA-OD1 2.8Å; H1089-D1105 IonicContact CE1-OD2 2.78Å; H1089-D1105 IonicContact CG-OD2 2.76Å; H1089-D1105 IonicContact ND1-OD1 2.6Å; H1089-D1105 IonicContact ND1-OD2 3.59Å; H1089-D1105 PolarHBondContact ND1-OD2 3.14Å; H1089-K1200 PolarHBondContact CE1-NZ 2.93Å; H1089-K1200 VanDerWaalsContact CE1-NZ 3.31Å |
| 1090 | I | 91 | Very high | 86.6 | Confident | 2 Ų | 2 | 31 Ų | 31 | 1% | 0.01 | 16% | 0.162 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.5 | 124 | 171 | -59.3 | 168.8 | 0 | 0 | 0 | 108.1 | F966 F986 F1088 Q1092 V1104 D1105 F1106 L1201 | F966-I1090 HydrophobicContact CB-CD1 4.08Å; F966-I1090 HydrophobicContact CD1-CD1 4.41Å; F966-I1090 HydrophobicContact CG-CD1 4.4Å; F986-I1090 HydrophobicContact CD2-CD1 4.39Å; F986-I1090 HydrophobicContact CE2-CD1 3.76Å; F986-I1090 HydrophobicContact CE2-CG1 4.2Å; F1088-I1090 HydrophobicContact CE1-CG1 4.1Å; I1090-Q1092 HydrophobicContact CG2-CG 4.41Å; I1090-V1104 WeakPolarHBondContact O-CA 3.33Å; I1090-D1105 PolarHBondContact N-OD1 3.34Å; I1090-D1105 PolarHBondContact O-N 2.73Å; I1090-F1106 HydrophobicContact CB-CZ 4.47Å; I1090-F1106 HydrophobicContact CD1-CE2 3.63Å; I1090-F1106 HydrophobicContact CD1-CZ 3.42Å; I1090-F1106 VanDerWaalsContact CD1-CZ 3.42Å; I1090-F1106 HydrophobicContact CG2-CZ 4.3Å; I1090-L1201 HydrophobicContact CD1-CD1 4.28Å; I1090-L1201 HydrophobicContact CD1-CD2 3.73Å; I1090-L1201 HydrophobicContact CG1-CD1 4.16Å; I1090-L1201 HydrophobicContact CG1-CD2 4.17Å |
| 1091 | V | 92.4 | Very high | 86.7 | Confident | 0 Ų | 0 | 25.7 Ų | 25.7 | 0% | 0 | 13% | 0.134 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.8 | 130.7 | 179.2 | 176.1 | 0 | 0 | 0 | 0 | 108.7 | A1024 F1025 I1027 L1063 F1083 L1102 | A1024-V1091 CarbonylContact C-O 3.59Å; A1024-V1091 WeakPolarHBondContact CA-O 3.35Å; F1025-V1091 HydrophobicContact CD1-CB 4.41Å; F1025-V1091 HydrophobicContact CD2-CB 4.36Å; F1025-V1091 HydrophobicContact CE1-CB 4.04Å; F1025-V1091 HydrophobicContact CE1-CG1 3.78Å; F1025-V1091 HydrophobicContact CE2-CB 4.01Å; F1025-V1091 HydrophobicContact CE2-CG1 4.4Å; F1025-V1091 HydrophobicContact CE2-CG2 4Å; F1025-V1091 HydrophobicContact CZ-CB 3.83Å; F1025-V1091 HydrophobicContact CZ-CG1 3.73Å; F1025-V1091 HydrophobicContact CZ-CG2 4.11Å; F1025-V1091 PolarHBondContact N-O 2.96Å; F1025-V1091 PolarHBondContact O-N 2.78Å; I1027-V1091 HydrophobicContact CG2-CG2 3.91Å; L1063-V1091 HydrophobicContact CD2-CB 4.26Å; L1063-V1091 HydrophobicContact CD2-CG1 3.33Å; L1063-V1091 HydrophobicContact CD2-CG2 3.87Å; F1083-V1091 HydrophobicContact CE1-CG2 4.02Å; F1083-V1091 HydrophobicContact CZ-CG2 4.17Å; V1091-L1102 HydrophobicContact CG1-CD1 4.3Å |
| 1092 | Q | 90.3 | Very high | 86.9 | Confident | 16 Ų | 16 | 25.7 Ų | 25.7 | 8% | 0.075 | 13% | 0.133 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.7 | 127.9 | 171.1 | -57 | 169.3 | -13.3 | 0 | 0 | 109.2 | L983 L1023 A1024 I1090 L1103 | L983-Q1092 WeakPolarHBondContact O-CG 3.26Å; L983-Q1092 PolarHBondContact O-NE2 2.9Å; L1023-Q1092 CarbonylContact O-C 3.59Å; L1023-Q1092 WeakPolarHBondContact O-CA 3.35Å; A1024-Q1092 HydrophobicContact CB-CG 4.11Å; I1090-Q1092 HydrophobicContact CG2-CG 4.41Å; Q1092-L1103 HydrophobicContact CB-CB 4.19Å; Q1092-L1103 PolarHBondContact N-O 3.05Å; Q1092-L1103 PolarHBondContact O-N 3.3Å |
| 1093 | F | 90.9 | Very high | 86.8 | Confident | 1 Ų | 1 | 23.7 Ų | 23.7 | 0% | 0.004 | 12% | 0.123 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.2 | 121 | 171.2 | 171.6 | -107.8 | 0 | 0 | 0 | 108.3 | L1023 I1050 V1065 F1067 L1076 R1095 I1101 L1102 | L1023-F1093 HydrophobicContact CB-CB 4.33Å; L1023-F1093 HydrophobicContact CB-CD1 4.36Å; L1023-F1093 PolarHBondContact N-O 3.11Å; L1023-F1093 PolarHBondContact O-N 3.29Å; I1050-F1093 HydrophobicContact CD1-CE1 4.11Å; I1050-F1093 HydrophobicContact CG1-CE1 4.34Å; I1050-F1093 HydrophobicContact CG2-CD1 4.25Å; I1050-F1093 HydrophobicContact CG2-CE1 3.81Å; V1065-F1093 HydrophobicContact CB-CD2 4.41Å; V1065-F1093 HydrophobicContact CB-CE2 4.45Å; V1065-F1093 HydrophobicContact CG1-CD1 4.41Å; V1065-F1093 HydrophobicContact CG1-CD2 3.84Å; V1065-F1093 HydrophobicContact CG1-CE1 4.28Å; V1065-F1093 HydrophobicContact CG1-CE2 3.69Å; V1065-F1093 HydrophobicContact CG1-CG 4.19Å; V1065-F1093 HydrophobicContact CG1-CZ 3.92Å; V1065-F1093 HydrophobicContact CG2-CD2 4.21Å; F1067-F1093 HydrophobicContact CD1-CE2 4.38Å; F1067-F1093 HydrophobicContact CD1-CZ 4.06Å; F1067-F1093 HydrophobicContact CE1-CE2 4.35Å; F1067-F1093 HydrophobicContact CE1-CZ 4.32Å; L1076-F1093 HydrophobicContact CD1-CD2 4.37Å; L1076-F1093 HydrophobicContact CD1-CE2 3.9Å; F1093-R1095 HydrophobicContact CE1-CB 4.18Å; F1093-R1095 HydrophobicContact CZ-CB 4.05Å; F1093-I1101 WeakPolarHBondContact CA-O 3.5Å; F1093-L1102 HydrophobicContact CB-CD1 4.36Å |
| 1094 | I | 87.7 | Confident | 86.6 | Confident | 14 Ų | 14 | 23.6 Ų | 23.6 | 7% | 0.072 | 12% | 0.122 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.2 | 121 | -179.8 | -57.1 | 174.7 | 0 | 0 | 0 | 107.8 | I677 L1020 D1021 K1022 S1100 I1101 | I677-I1094 HydrophobicContact CG1-CG2 4.3Å; L1020-I1094 HydrophobicContact CD1-CG2 3.76Å; D1021-I1094 CarbonylContact O-C 3.49Å; D1021-I1094 VanDerWaalsContact O-CA 3.32Å; D1021-I1094 WeakPolarHBondContact O-CA 3.43Å; K1022-I1094 HydrophobicContact CG-CG1 4.44Å; K1022-I1094 HydrophobicContact CG-CG2 4.33Å; I1094-S1100 CarbonylContact O-C 3.54Å; I1094-S1100 WeakPolarHBondContact O-CA 3.41Å; I1094-I1101 PolarHBondContact N-O 3.17Å; I1094-I1101 PolarHBondContact O-N 2.91Å |
| 1095 | R | 87.5 | Confident | 86.5 | Confident | 1 Ų | 1 | 20.1 Ų | 20.1 | 0% | 0.004 | 10% | 0.104 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.3 | 127.5 | 172.4 | -175.6 | -170.6 | 70.5 | 84.2 | -4.7 | 108.3 | T1018 L1020 D1021 F1093 E1097 K1099 K1120 | T1018-R1095 PolarHBondContact O-NH2 2.79Å; T1018-R1095 PolarHBondContact OG1-NH2 3.06Å; L1020-R1095 CarbonylContact C-O 3.6Å; L1020-R1095 WeakPolarHBondContact CA-O 3.42Å; L1020-R1095 WeakPolarHBondContact CD1-O 3.33Å; D1021-R1095 HydrophobicContact CB-CB 4.42Å; D1021-R1095 PolarHBondContact N-O 2.79Å; D1021-R1095 PolarHBondContact O-N 3.42Å; D1021-R1095 IonicContact OD2-CZ 2.7Å; D1021-R1095 IonicContact OD2-NE 3.18Å; D1021-R1095 PolarHBondContact OD2-NE 3.29Å; D1021-R1095 IonicContact OD2-NH2 3.91Å; D1021-R1095 PolarHBondContact OD2-NH2 3.28Å; F1093-R1095 HydrophobicContact CE1-CB 4.18Å; F1093-R1095 HydrophobicContact CZ-CB 4.05Å; R1095-E1097 PolarHBondContact NH1-O 3.45Å; R1095-K1099 CarbonylContact C-O 3.6Å; R1095-K1099 WeakPolarHBondContact CA-O 3.33Å; R1095-K1120 PolarHBondContact NH1-O 3.42Å |
| 1096 | K | 82.9 | Confident | 85.7 | Confident | 34 Ų | 34 | 19.2 Ų | 19.2 | 15% | 0.148 | 10% | 0.097 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.3 | 113.8 | 167.5 | -177.7 | 168.9 | 178 | 167 | 0 | 108.4 | D670 N674 I677 T1019 L1020 A1098 K1099 | D670-K1096 IonicContact OD1-NZ 3.39Å; D670-K1096 PolarHBondContact OD1-NZ 3.25Å; N674-K1096 PolarHBondContact OD1-NZ 3.07Å; I677-K1096 HydrophobicContact CD1-CB 3.64Å; I677-K1096 HydrophobicContact CD1-CD 3.3Å; I677-K1096 HydrophobicContact CD1-CG 4.05Å; T1019-K1096 CarbonylContact O-C 3.45Å; T1019-K1096 WeakPolarHBondContact O-CA 3.04Å; L1020-K1096 HydrophobicContact CD1-CB 4.17Å; K1096-A1098 PolarHBondContact O-N 3.39Å; K1096-K1099 CarbonylContact C-O 3.53Å; K1096-K1099 PolarHBondContact N-O 3.47Å; K1096-K1099 WeakPolarHBondContact O-CA 3.25Å; K1096-K1099 WeakPolarHBondContact O-CB 3.13Å; K1096-K1099 PolarHBondContact O-N 3Å; K1096-K1099 VanDerWaalsContact O-O 3.13Å |
| 1097 | E | 81.4 | Confident | 84.7 | Confident | 74 Ų | 74 | 22 Ų | 22 | 35% | 0.346 | 10% | 0.104 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 50 | -119 | -171.5 | -59.4 | 179.8 | -161.6 | 0 | 0 | 110.4 | T1019 R1095 K1120 | T1019-E1097 PolarHBondContact O-N 3.28Å; R1095-E1097 PolarHBondContact NH1-O 3.45Å; E1097-K1120 WeakPolarHBondContact CA-O 3.35Å; E1097-K1120 HydrophobicContact CB-CB 4.15Å; E1097-K1120 HydrophobicContact CB-CD 4.47Å; E1097-K1120 HydrophobicContact CB-CG 4.25Å; E1097-K1120 HydrophobicContact CG-CB 4.45Å; E1097-K1120 HydrophobicContact CG-CD 4.49Å; E1097-K1120 WeakPolarHBondContact OE2-CD 3.38Å; E1097-K1120 WeakPolarHBondContact OE2-CE 3.46Å; E1097-K1120 IonicContact OE2-NZ 2.81Å; E1097-K1120 PolarHBondContact OE2-NZ 3.23Å |
| 1098 | A | 73.7 | Confident | 82.9 | Confident | 16 Ų | 16 | 21.9 Ų | 21.9 | 13% | 0.132 | 10% | 0.103 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -85.5 | -6.9 | 179 | 0 | 0 | 0 | 0 | 0 | 113.4 | K1096 T1114 | K1096-A1098 PolarHBondContact O-N 3.39Å; A1098-T1114 WeakPolarHBondContact CB-OG1 3.08Å; A1098-T1114 PolarHBondContact O-N 2.6Å; A1098-T1114 PolarHBondContact O-OG1 3.29Å |
| 1099 | K | 76.5 | Confident | 81.5 | Confident | 125 Ų | 125 | 25 Ų | 25 | 54% | 0.543 | 12% | 0.117 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -95 | 138.4 | 179 | -63.1 | -178.7 | -178.6 | 178 | 0 | 110.1 | R1095 K1096 | R1095-K1099 CarbonylContact C-O 3.6Å; R1095-K1099 WeakPolarHBondContact CA-O 3.33Å; K1096-K1099 CarbonylContact C-O 3.53Å; K1096-K1099 PolarHBondContact N-O 3.47Å; K1096-K1099 WeakPolarHBondContact O-CA 3.25Å; K1096-K1099 WeakPolarHBondContact O-CB 3.13Å; K1096-K1099 PolarHBondContact O-N 3Å; K1096-K1099 VanDerWaalsContact O-O 3.13Å |
| 1100 | S | 82.1 | Confident | 79.9 | Confident | 0 Ų | 0 | 27.2 Ų | 27.2 | 0% | 0 | 13% | 0.129 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -137 | 140.3 | 176.5 | 57.9 | 0 | 0 | 0 | 0 | 111.2 | F1067 L1076 I1094 T1111 K1112 | F1067-S1100 WeakPolarHBondContact CZ-OG 3.4Å; L1076-S1100 WeakPolarHBondContact CD1-OG 3.43Å; I1094-S1100 CarbonylContact O-C 3.54Å; I1094-S1100 WeakPolarHBondContact O-CA 3.41Å; S1100-T1111 WeakPolarHBondContact O-CA 3.2Å; S1100-K1112 PolarHBondContact O-N 3.38Å |
| 1101 | I | 83.8 | Confident | 78.4 | Confident | 10 Ų | 10 | 30.7 Ų | 30.7 | 5% | 0.051 | 15% | 0.15 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.9 | 128.6 | 179.8 | -63.3 | 173.2 | 0 | 0 | 0 | 108.1 | I677 F1093 I1094 E1109 I1110 T1111 | I677-I1101 HydrophobicContact CB-CD1 4.47Å; I677-I1101 HydrophobicContact CG2-CD1 3.72Å; F1093-I1101 WeakPolarHBondContact CA-O 3.5Å; I1094-I1101 PolarHBondContact N-O 3.17Å; I1094-I1101 PolarHBondContact O-N 2.91Å; I1101-E1109 HydrophobicContact CG2-CG 3.69Å; I1101-I1110 WeakPolarHBondContact CA-O 3.13Å; I1101-T1111 HydrophobicContact CG1-CG2 4.09Å |
| 1102 | L | 87.6 | Confident | 77.1 | Confident | 0 Ų | 0 | 35 Ų | 35 | 0% | 0 | 17% | 0.169 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.9 | 117.8 | 167.6 | 178.2 | 63.5 | 0 | 0 | 0 | 108.8 | L1063 V1065 L1076 Q1078 V1091 F1093 H1108 E1109 I1110 | L1063-L1102 HydrophobicContact CD2-CD1 4.07Å; V1065-L1102 HydrophobicContact CG2-CD1 3.81Å; V1065-L1102 HydrophobicContact CG2-CD2 3.92Å; V1065-L1102 HydrophobicContact CG2-CG 4.39Å; L1076-L1102 HydrophobicContact CB-CD2 4.41Å; L1076-L1102 HydrophobicContact CD1-CB 4.23Å; Q1078-L1102 HydrophobicContact CB-CD2 4.22Å; V1091-L1102 HydrophobicContact CG1-CD1 4.3Å; F1093-L1102 HydrophobicContact CB-CD1 4.36Å; L1102-H1108 VanDerWaalsContact O-O 3.1Å; L1102-E1109 WeakPolarHBondContact O-CA 3.38Å; L1102-I1110 PolarHBondContact N-O 2.91Å; L1102-I1110 VanDerWaalsContact N-O 3.17Å; L1102-I1110 PolarHBondContact O-N 3.11Å; L1102-I1110 VanDerWaalsContact O-N 3.15Å |
| 1103 | L | 85.2 | Confident | 75.6 | Confident | 6 Ų | 6 | 38.5 Ų | 38.5 | 3% | 0.031 | 19% | 0.193 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.6 | 133.3 | 177.6 | -160.2 | 78.5 | 0 | 0 | 0 | 110.2 | P680 Q1092 F1106 H1108 E1109 | P680-L1103 HydrophobicContact CB-CD1 4Å; P680-L1103 HydrophobicContact CB-CD2 3.95Å; Q1092-L1103 HydrophobicContact CB-CB 4.19Å; Q1092-L1103 PolarHBondContact N-O 3.05Å; Q1092-L1103 PolarHBondContact O-N 3.3Å; L1103-F1106 HydrophobicContact CD2-CD1 4.34Å; L1103-H1108 WeakPolarHBondContact CA-O 3.21Å; L1103-E1109 HydrophobicContact CD1-CB 3.9Å; L1103-E1109 HydrophobicContact CD1-CG 4.3Å |
| 1104 | V | 87 | Confident | 73.7 | Confident | 0 Ų | 0 | 40.2 Ų | 40.2 | 0% | 0 | 20% | 0.203 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.3 | 127.9 | 171.4 | -173.5 | 0 | 0 | 0 | 0 | 109.8 | Q1078 V1081 F1083 H1089 I1090 F1106 H1108 | Q1078-V1104 HydrophobicContact CB-CG2 4.22Å; Q1078-V1104 HydrophobicContact CG-CB 4.37Å; Q1078-V1104 HydrophobicContact CG-CG2 4.05Å; V1081-V1104 HydrophobicContact CB-CG1 4.28Å; V1081-V1104 HydrophobicContact CG1-CG1 3.94Å; V1081-V1104 HydrophobicContact CG2-CB 4.13Å; V1081-V1104 HydrophobicContact CG2-CG1 3.99Å; F1083-V1104 HydrophobicContact CZ-CG1 3.92Å; F1083-V1104 HydrophobicContact CZ-CG2 4.22Å; H1089-V1104 HydrophobicContact CB-CG1 4.33Å; I1090-V1104 WeakPolarHBondContact O-CA 3.33Å; V1104-F1106 PolarHBondContact O-N 3.37Å; V1104-H1108 PolarHBondContact N-O 3.49Å; V1104-H1108 PolarHBondContact O-N 2.91Å; V1104-H1108 PolarHBondContact O-ND1 2.89Å; V1104-H1108 VanDerWaalsContact O-ND1 3.11Å |
| 1105 | D | 85 | Confident | 72 | Confident | 1 Ų | 1 | 48.7 Ų | 48.7 | 1% | 0.005 | 24% | 0.243 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 53.1 | 36.5 | -179 | -58.9 | -25 | 0 | 0 | 0 | 113.5 | H1089 I1090 Q1107 L1201 | H1089-D1105 VanDerWaalsContact CA-OD1 3.25Å; H1089-D1105 WeakPolarHBondContact CA-OD1 2.8Å; H1089-D1105 IonicContact CE1-OD2 2.78Å; H1089-D1105 IonicContact CG-OD2 2.76Å; H1089-D1105 IonicContact ND1-OD1 2.6Å; H1089-D1105 IonicContact ND1-OD2 3.59Å; H1089-D1105 PolarHBondContact ND1-OD2 3.14Å; I1090-D1105 PolarHBondContact N-OD1 3.34Å; I1090-D1105 PolarHBondContact O-N 2.73Å; D1105-Q1107 PolarHBondContact O-N 3.21Å; D1105-L1201 HydrophobicContact CB-CD2 4.5Å |
| 1106 | F | 70.4 | Confident | 70.4 | Confident | 29 Ų | 29 | 53.6 Ų | 53.6 | 13% | 0.127 | 27% | 0.269 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 65.2 | -11.7 | 177.3 | -47.6 | -67.8 | 0 | 0 | 0 | 118.4 | T681 F966 N967 I1090 L1103 V1104 L1201 | T681-F1106 WeakPolarHBondContact CG2-O 3.32Å; F966-F1106 VanDerWaalsContact C-CZ 3.46Å; F966-F1106 HydrophobicContact CB-CE2 4.16Å; F966-F1106 HydrophobicContact CB-CZ 3.82Å; F966-F1106 VanDerWaalsContact O-CE1 3.26Å; F966-F1106 WeakPolarHBondContact O-CE1 3.44Å; F966-F1106 WeakPolarHBondContact O-CZ 3.09Å; N967-F1106 HydrophobicContact CB-CD1 3.93Å; N967-F1106 HydrophobicContact CB-CE1 3.71Å; N967-F1106 HydrophobicContact CB-CZ 4.38Å; N967-F1106 WeakPolarHBondContact ND2-CD1 3.19Å; I1090-F1106 HydrophobicContact CB-CZ 4.47Å; I1090-F1106 HydrophobicContact CD1-CE2 3.63Å; I1090-F1106 HydrophobicContact CD1-CZ 3.42Å; I1090-F1106 VanDerWaalsContact CD1-CZ 3.42Å; I1090-F1106 HydrophobicContact CG2-CZ 4.3Å; L1103-F1106 HydrophobicContact CD2-CD1 4.34Å; V1104-F1106 PolarHBondContact O-N 3.37Å; F1106-L1201 HydrophobicContact CE2-CD2 4.06Å |
| 1107 | Q | 66.8 | Low | 69.1 | Low | 87 Ų | 87 | 60 Ų | 60 | 41% | 0.407 | 30% | 0.3 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -112 | -25.6 | -174 | -66.8 | -171.3 | -23 | 0 | 0 | 114.2 | D1105 E1109 | D1105-Q1107 PolarHBondContact O-N 3.21Å; Q1107-E1109 PolarHBondContact O-N 3.46Å |
| 1108 | H | 56 | Low | 68 | Low | 42 Ų | 42 | 62.8 Ų | 62.8 | 19% | 0.194 | 32% | 0.317 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -99 | 88.9 | -170 | -53.6 | 93.2 | 0 | 0 | 0 | 110 | Q1078 V1081 L1102 L1103 V1104 | Q1078-H1108 HydrophobicContact CG-CB 4.11Å; Q1078-H1108 VanDerWaalsContact NE2-CB 3.3Å; Q1078-H1108 PolarHBondContact NE2-O 2.83Å; V1081-H1108 HydrophobicContact CG2-CB 4.33Å; L1102-H1108 VanDerWaalsContact O-O 3.1Å; L1103-H1108 WeakPolarHBondContact CA-O 3.21Å; V1104-H1108 PolarHBondContact N-O 3.49Å; V1104-H1108 PolarHBondContact O-N 2.91Å; V1104-H1108 PolarHBondContact O-ND1 2.89Å; V1104-H1108 VanDerWaalsContact O-ND1 3.11Å |
| 1109 | E | 61.8 | Low | 67.7 | Low | 66 Ų | 66 | 64.8 Ų | 64.8 | 31% | 0.308 | 33% | 0.325 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.1 | 136.6 | 179.3 | -164.5 | -176 | 156.2 | 0 | 0 | 111.4 | I1101 L1102 L1103 Q1107 T1111 | I1101-E1109 HydrophobicContact CG2-CG 3.69Å; L1102-E1109 WeakPolarHBondContact O-CA 3.38Å; L1103-E1109 HydrophobicContact CD1-CB 3.9Å; L1103-E1109 HydrophobicContact CD1-CG 4.3Å; Q1107-E1109 PolarHBondContact O-N 3.46Å; E1109-T1111 PolarHBondContact OE1-OG1 3.12Å |
| 1110 | I | 58.2 | Low | 67.8 | Low | 48 Ų | 48 | 62.5 Ų | 62.5 | 25% | 0.246 | 32% | 0.315 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129 | 120.1 | 164.1 | -63.7 | 171.3 | 0 | 0 | 0 | 107.9 | L1076 F1077 I1101 L1102 | L1076-I1110 HydrophobicContact CD2-CG2 4.27Å; F1077-I1110 WeakPolarHBondContact O-CD1 3.38Å; I1101-I1110 WeakPolarHBondContact CA-O 3.13Å; L1102-I1110 PolarHBondContact N-O 2.91Å; L1102-I1110 VanDerWaalsContact N-O 3.17Å; L1102-I1110 PolarHBondContact O-N 3.11Å; L1102-I1110 VanDerWaalsContact O-N 3.15Å |
| 1111 | T | 59.9 | Low | 68 | Low | 75 Ų | 75 | 65 Ų | 65 | 46% | 0.46 | 33% | 0.327 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.5 | 130.6 | 174.4 | -32.1 | 0 | 0 | 0 | 0 | 108.8 | S1100 I1101 E1109 | S1100-T1111 WeakPolarHBondContact O-CA 3.2Å; I1101-T1111 HydrophobicContact CG1-CG2 4.09Å; E1109-T1111 PolarHBondContact OE1-OG1 3.12Å |
| 1112 | K | 64.5 | Low | 68.3 | Low | 91 Ų | 91 | 64.5 Ų | 64.5 | 40% | 0.396 | 32% | 0.324 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.3 | 106 | 166.9 | -164.8 | 176.8 | -176.6 | -175.4 | 0 | 108.4 | L1076 S1100 | L1076-K1112 HydrophobicContact CD2-CB 3.7Å; L1076-K1112 HydrophobicContact CD2-CD 4.35Å; S1100-K1112 PolarHBondContact O-N 3.38Å |
| 1113 | P | 58.2 | Low | 68.3 | Low | 89 Ų | 89 | 66.9 Ų | 66.9 | 58% | 0.578 | 34% | 0.337 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -72.4 | 132.8 | 163.2 | 29.2 | -28.9 | 0 | 0 | 0 | 107.7 | ||
| 1114 | T | 52.8 | Low | 68.4 | Low | 36 Ų | 36 | 69.6 Ų | 69.6 | 22% | 0.221 | 35% | 0.35 | C | S | . | . | trans | -96.4 | 137.2 | 166.4 | 47.2 | 0 | 0 | 0 | 0 | 110.1 | A1098 D1116 | A1098-T1114 WeakPolarHBondContact CB-OG1 3.08Å; A1098-T1114 PolarHBondContact O-N 2.6Å; A1098-T1114 PolarHBondContact O-OG1 3.29Å; T1114-D1116 VanDerWaalsContact C-N 3.29Å | ||
| 1115 | E | 52 | Low | 68.6 | Low | 193 Ų | 193 | 69.8 Ų | 69.8 | 90% | 0.902 | 35% | 0.352 | S | S | * | . | trans | -79.6 | -12.9 | -177.1 | -66.8 | -178.2 | 167.2 | 0 | 0 | 112.4 | Q1117 | E1115-Q1117 PolarHBondContact O-N 2.95Š| ||
| 1116 | D | 53.6 | Low | 68.7 | Low | 104 Ų | 104 | 71 Ų | 71 | 56% | 0.556 | 36% | 0.356 | S | S | * | . | trans | -77.6 | 120.8 | -178.9 | -71.1 | -37.6 | 0 | 0 | 0 | 111.8 | T1114 | T1114-D1116 VanDerWaalsContact C-N 3.29Š| ||
| 1117 | Q | 54.4 | Low | 69.6 | Low | 169 Ų | 169 | 73.8 Ų | 73.8 | 79% | 0.79 | 37% | 0.366 | S | S | * | . | S | Bend | trans | -75.2 | -24.9 | 174.9 | -68.6 | -150.3 | -11.4 | 0 | 0 | 113.5 | E1115 | E1115-Q1117 PolarHBondContact O-N 2.95Š|
| 1118 | N | 58.5 | Low | 70.9 | Confident | 131 Ų | 131 | 69.8 Ų | 69.8 | 70% | 0.701 | 35% | 0.348 | S | S | * | . | S | Bend | trans | -80 | 142.5 | 168.4 | -59.4 | -19.8 | 0 | 0 | 0 | 106.6 | ||
| 1119 | N | 67.4 | Low | 72.7 | Confident | 59 Ų | 59 | 70 Ų | 70 | 32% | 0.316 | 35% | 0.347 | S | S | . | . | trans | 94.6 | 44.7 | 177.3 | -45.4 | -52.8 | 0 | 0 | 0 | 117.4 | M1069 G1070 G1071 | M1069-N1119 HydrophobicContact CB-CB 4.28Å; M1069-N1119 WeakPolarHBondContact O-CA 3.43Å; M1069-N1119 WeakPolarHBondContact O-CB 3.17Å; M1069-N1119 PolarHBondContact O-OD1 3.39Å; G1070-N1119 VanDerWaalsContact C-CG 3.44Å; G1070-N1119 WeakPolarHBondContact CA-OD1 3.48Å; G1071-N1119 WeakPolarHBondContact CA-ND2 3.03Å; G1071-N1119 PolarHBondContact N-ND2 3.08Å; G1071-N1119 PolarHBondContact N-OD1 3.04Å | ||
| 1120 | K | 78.6 | Confident | 74.1 | Confident | 76 Ų | 76 | 66.9 Ų | 66.9 | 33% | 0.33 | 33% | 0.333 | S | S | . | . | trans | -87.2 | -21.4 | 177.9 | -64.1 | -175 | 171.1 | -147.4 | 0 | 114.8 | R1095 E1097 | R1095-K1120 PolarHBondContact NH1-O 3.42Å; E1097-K1120 WeakPolarHBondContact CA-O 3.35Å; E1097-K1120 HydrophobicContact CB-CB 4.15Å; E1097-K1120 HydrophobicContact CB-CD 4.47Å; E1097-K1120 HydrophobicContact CB-CG 4.25Å; E1097-K1120 HydrophobicContact CG-CB 4.45Å; E1097-K1120 HydrophobicContact CG-CD 4.49Å; E1097-K1120 WeakPolarHBondContact OE2-CD 3.38Å; E1097-K1120 WeakPolarHBondContact OE2-CE 3.46Å; E1097-K1120 IonicContact OE2-NZ 2.81Å; E1097-K1120 PolarHBondContact OE2-NZ 3.23Å | ||
| 1121 | H | 86.3 | Confident | 75.7 | Confident | 52 Ų | 52 | 64.7 Ų | 64.7 | 24% | 0.241 | 32% | 0.322 | C | S | . | . | trans | -109.5 | 139.2 | -167.9 | -55.4 | -74 | 0 | 0 | 0 | 110.8 | S588 T1018 T1019 N1123 | S588-H1121 WeakPolarHBondContact CB-ND1 3.33Å; S588-H1121 PolarHBondContact OG-ND1 3.44Å; T1018-H1121 WeakPolarHBondContact O-CA 3.38Å; T1019-H1121 WeakPolarHBondContact CG2-CE1 3.26Å; T1019-H1121 WeakPolarHBondContact CG2-ND1 3.15Å; H1121-N1123 PolarHBondContact O-ND2 3.35Å | ||
| 1122 | F | 90.4 | Very high | 76.7 | Confident | 0 Ų | 0 | 64.5 Ų | 64.5 | 0% | 0 | 32% | 0.316 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.6 | 110.3 | 159.3 | -170 | -48.2 | 0 | 0 | 0 | 106.2 | N1017 T1018 I1040 D1048 I1050 M1069 L1125 | N1017-F1122 CarbonylContact C-O 3.51Å; N1017-F1122 VanDerWaalsContact CA-O 3.25Å; N1017-F1122 WeakPolarHBondContact CA-O 3.3Å; T1018-F1122 PolarHBondContact N-O 3.35Å; T1018-F1122 PolarHBondContact O-N 3.07Å; T1018-F1122 WeakPolarHBondContact OG1-CB 3.29Å; I1040-F1122 HydrophobicContact CB-CE2 4.48Å; I1040-F1122 HydrophobicContact CG2-CE2 3.98Å; I1040-F1122 HydrophobicContact CG2-CZ 3.85Å; D1048-F1122 HydrophobicContact CB-CD1 3.88Å; D1048-F1122 HydrophobicContact CB-CE1 3.88Å; D1048-F1122 HydrophobicContact CB-CG 4.29Å; D1048-F1122 HydrophobicContact CB-CZ 4.33Å; I1050-F1122 HydrophobicContact CB-CE2 4.34Å; I1050-F1122 HydrophobicContact CD1-CD2 3.65Å; I1050-F1122 HydrophobicContact CD1-CE2 3.73Å; I1050-F1122 HydrophobicContact CG1-CD2 3.99Å; I1050-F1122 HydrophobicContact CG1-CE2 3.76Å; M1069-F1122 HydrophobicContact CE-CB 4.32Å; M1069-F1122 HydrophobicContact CE-CD2 3.68Å; M1069-F1122 HydrophobicContact CE-CE2 4.42Å; M1069-F1122 HydrophobicContact CE-CG 4.36Å; M1069-F1122 HydrophobicContact SD-CB 3.62Å; M1069-F1122 HydrophobicContact SD-CD2 3.97Å; M1069-F1122 HydrophobicContact SD-CG 4.05Å; F1122-L1125 HydrophobicContact CD1-CB 3.74Å; F1122-L1125 HydrophobicContact CD1-CG 4.41Å; F1122-L1125 HydrophobicContact CE1-CB 3.71Å; F1122-L1125 HydrophobicContact CE1-CG 4.13Å; F1122-L1125 HydrophobicContact CG-CB 4.48Å; F1122-L1125 HydrophobicContact CZ-CB 4.39Å; F1122-L1125 HydrophobicContact CZ-CG 4.31Å |
| 1123 | N | 87.9 | Confident | 76.7 | Confident | 51 Ų | 51 | 61.5 Ų | 61.5 | 27% | 0.273 | 31% | 0.308 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.6 | 133.5 | -177.9 | -56.6 | -66.2 | 0 | 0 | 0 | 111.6 | S1046 D1048 H1121 L1125 | S1046-N1123 WeakPolarHBondContact CB-O 3.38Å; S1046-N1123 PolarHBondContact OG-O 3.43Å; D1048-N1123 VanDerWaalsContact OD2-CB 3.27Å; D1048-N1123 WeakPolarHBondContact OD2-CB 3.3Å; D1048-N1123 PolarHBondContact OD2-N 2.92Å; D1048-N1123 PolarHBondContact OD2-ND2 2.95Å; H1121-N1123 PolarHBondContact O-ND2 3.35Å; N1123-L1125 PolarHBondContact O-N 3.43Å |
| 1124 | M | 87.4 | Confident | 76.8 | Confident | 62 Ų | 62 | 60.2 Ų | 60.2 | 31% | 0.305 | 30% | 0.3 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | 60.8 | 35.4 | 168.7 | -60.1 | -69.2 | -75.9 | 0 | 0 | 114.9 | P1015 Q1016 N1017 G1042 Q1043 K1126 | P1015-M1124 HydrophobicContact CB-CB 4.01Å; P1015-M1124 HydrophobicContact CB-CE 3.61Å; P1015-M1124 HydrophobicContact CB-CG 4.47Å; P1015-M1124 HydrophobicContact CB-SD 3.62Å; P1015-M1124 HydrophobicContact CG-CE 3.54Å; P1015-M1124 HydrophobicContact CG-SD 4.24Å; Q1016-M1124 PolarHBondContact O-N 3.13Å; N1017-M1124 PolarHBondContact OD1-N 3.11Å; G1042-M1124 CarbonylContact C-O 3.54Å; G1042-M1124 WeakPolarHBondContact CA-O 3.48Å; Q1043-M1124 HydrophobicContact CB-CB 4.37Å; Q1043-M1124 PolarHBondContact N-O 3.12Å; M1124-K1126 PolarHBondContact O-N 2.94Å; M1124-K1126 VanDerWaalsContact O-N 3.1Å |
| 1125 | L | 89.9 | Confident | 77 | Confident | 5 Ų | 5 | 66.8 Ų | 66.8 | 3% | 0.026 | 33% | 0.325 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -50.1 | 117.4 | 175.3 | -172.9 | 163.3 | 0 | 0 | 0 | 110.4 | L1012 P1015 Q1016 I1040 F1122 N1123 | L1012-L1125 HydrophobicContact CD1-CD2 3.76Å; L1012-L1125 HydrophobicContact CD2-CD2 3.77Å; L1012-L1125 HydrophobicContact CG-CD2 4.44Å; P1015-L1125 VanDerWaalsContact CA-O 3.29Å; P1015-L1125 WeakPolarHBondContact CA-O 3.38Å; Q1016-L1125 HydrophobicContact CB-CB 4.4Å; Q1016-L1125 PolarHBondContact N-O 2.82Å; Q1016-L1125 VanDerWaalsContact O-CB 3.29Å; Q1016-L1125 WeakPolarHBondContact O-CB 3.12Å; Q1016-L1125 PolarHBondContact O-N 2.84Å; I1040-L1125 HydrophobicContact CG2-CD1 3.81Å; I1040-L1125 HydrophobicContact CG2-CD2 4.15Å; I1040-L1125 HydrophobicContact CG2-CG 3.65Å; F1122-L1125 HydrophobicContact CD1-CB 3.74Å; F1122-L1125 HydrophobicContact CD1-CG 4.41Å; F1122-L1125 HydrophobicContact CE1-CB 3.71Å; F1122-L1125 HydrophobicContact CE1-CG 4.13Å; F1122-L1125 HydrophobicContact CG-CB 4.48Å; F1122-L1125 HydrophobicContact CZ-CB 4.39Å; F1122-L1125 HydrophobicContact CZ-CG 4.31Å; N1123-L1125 PolarHBondContact O-N 3.43Å |
| 1126 | K | 87.4 | Confident | 76.3 | Confident | 25 Ų | 25 | 66.7 Ų | 66.7 | 11% | 0.109 | 33% | 0.327 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.1 | -44.3 | -171.2 | 178.7 | 66.8 | 166.7 | -170.3 | 0 | 114.8 | E1011 L1012 N1013 P1015 Q1041 Q1043 M1124 | E1011-K1126 WeakPolarHBondContact CA-O 3.48Å; E1011-K1126 HydrophobicContact CG-CD 4.18Å; E1011-K1126 HydrophobicContact CG-CG 4.38Å; L1012-K1126 HydrophobicContact CB-CD 4.48Å; L1012-K1126 VanDerWaalsContact CD1-O 3.31Å; L1012-K1126 WeakPolarHBondContact CD1-O 3.44Å; L1012-K1126 PolarHBondContact N-O 2.75Å; L1012-K1126 WeakPolarHBondContact O-CD 3.48Å; L1012-K1126 WeakPolarHBondContact O-CE 3.13Å; L1012-K1126 PolarHBondContact O-NZ 3.34Å; N1013-K1126 PolarHBondContact O-NZ 3.38Å; P1015-K1126 HydrophobicContact CG-CD 4.14Å; Q1041-K1126 PolarHBondContact O-N 2.8Å; Q1043-K1126 HydrophobicContact CB-CB 3.7Å; Q1043-K1126 HydrophobicContact CB-CG 3.93Å; Q1043-K1126 HydrophobicContact CG-CG 4.33Å; Q1043-K1126 VanDerWaalsContact OE1-CD 3.26Å; M1124-K1126 PolarHBondContact O-N 2.94Å; M1124-K1126 VanDerWaalsContact O-N 3.1Å |
| 1127 | R | 90.7 | Very high | 75.5 | Confident | 88 Ų | 88 | 69 Ų | 69 | 33% | 0.332 | 33% | 0.332 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.4 | 136.9 | -174.5 | -67.2 | -175 | -177.9 | 159 | 5.5 | 111.4 | F1010 E1011 I1040 Q1041 Y1129 | F1010-R1127 WeakPolarHBondContact O-CA 3.39Å; E1011-R1127 HydrophobicContact CG-CG 4.34Å; E1011-R1127 IonicContact OE1-CZ 3.69Å; E1011-R1127 IonicContact OE1-NE 2.82Å; E1011-R1127 PolarHBondContact OE1-NE 2.93Å; E1011-R1127 IonicContact OE1-NH2 3.37Å; E1011-R1127 PolarHBondContact OE1-NH2 3.12Å; I1040-R1127 CarbonylContact C-O 3.55Å; I1040-R1127 WeakPolarHBondContact CA-O 3.44Å; Q1041-R1127 PolarHBondContact N-O 3.27Å; Q1041-R1127 PolarHBondContact O-N 3.45Å; Q1041-R1127 VanDerWaalsContact O-N 3.09Å; R1127-Y1129 HydrophobicContact CB-CD2 4.37Å; R1127-Y1129 HydrophobicContact CB-CE2 3.73Å; R1127-Y1129 WeakPolarHBondContact CD-OH 3.44Å |
| 1128 | I | 92.8 | Very high | 74.5 | Confident | 3 Ų | 3 | 69.4 Ų | 69.4 | 2% | 0.015 | 33% | 0.334 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.6 | 106.5 | 177.5 | -53.1 | 157.4 | 0 | 0 | 0 | 107.5 | V1009 F1010 L1012 I1038 I1040 L1163 L1168 | V1009-I1128 CarbonylContact C-O 3.55Å; V1009-I1128 WeakPolarHBondContact CA-O 2.89Å; F1010-I1128 HydrophobicContact CB-CB 4.19Å; F1010-I1128 HydrophobicContact CB-CD1 4.46Å; F1010-I1128 HydrophobicContact CD2-CB 4.33Å; F1010-I1128 HydrophobicContact CD2-CG2 4.35Å; F1010-I1128 PolarHBondContact N-O 3.41Å; F1010-I1128 PolarHBondContact O-N 3.43Å; L1012-I1128 HydrophobicContact CD1-CD1 3.83Å; L1012-I1128 HydrophobicContact CD1-CG1 4.3Å; I1038-I1128 HydrophobicContact CG2-CG2 4.47Å; I1040-I1128 HydrophobicContact CG1-CG1 4.39Å; I1040-I1128 HydrophobicContact CG1-CG2 4.19Å; I1040-I1128 HydrophobicContact CG2-CG1 4.41Å; I1128-L1163 HydrophobicContact CD1-CD2 3.54Å; I1128-L1163 HydrophobicContact CG1-CD2 4.05Å; I1128-L1168 HydrophobicContact CD1-CD1 4.47Å; I1128-L1168 HydrophobicContact CD1-CD2 4.3Å; I1128-L1168 HydrophobicContact CG2-CD1 3.8Å |
| 1129 | Y | 93.5 | Very high | 73.1 | Confident | 48 Ų | 48 | 71.1 Ų | 71.1 | 19% | 0.188 | 34% | 0.343 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.5 | 125.8 | 173 | -59.1 | -100.5 | 0 | 0 | 0 | 108.2 | V1009 I1038 H1039 Q1041 R1127 A1133 | V1009-Y1129 HydrophobicContact CB-CD1 4.42Å; V1009-Y1129 HydrophobicContact CG1-CD1 4.08Å; V1009-Y1129 HydrophobicContact CG1-CE1 3.99Å; V1009-Y1129 HydrophobicContact CG1-CG 4.48Å; V1009-Y1129 HydrophobicContact CG2-CD1 3.52Å; V1009-Y1129 HydrophobicContact CG2-CE1 3.85Å; V1009-Y1129 HydrophobicContact CG2-CG 4.37Å; I1038-Y1129 CarbonylContact C-O 3.57Å; I1038-Y1129 VanDerWaalsContact CA-O 3.26Å; I1038-Y1129 WeakPolarHBondContact CA-O 3.34Å; H1039-Y1129 HydrophobicContact CB-CD2 4.46Å; H1039-Y1129 AromaticContact CD2-CD2 3.82Å; H1039-Y1129 PolarHBondContact N-O 3.01Å; H1039-Y1129 WeakPolarHBondContact O-CD2 3.27Å; H1039-Y1129 PolarHBondContact O-N 3.44Å; Q1041-Y1129 HydrophobicContact CB-CE2 4.43Å; R1127-Y1129 HydrophobicContact CB-CD2 4.37Å; R1127-Y1129 HydrophobicContact CB-CE2 3.73Å; R1127-Y1129 WeakPolarHBondContact CD-OH 3.44Å; Y1129-A1133 HydrophobicContact CD1-CB 4.2Å |
| 1130 | F | 92.7 | Very high | 71.5 | Confident | 0 Ų | 0 | 74.3 Ų | 74.3 | 0% | 0 | 36% | 0.359 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.4 | 115 | 173.3 | 175.9 | -126.4 | 0 | 0 | 0 | 108.2 | V998 L1000 Y1007 A1008 F1010 I1038 I1158 L1161 L1172 | V998-F1130 HydrophobicContact CB-CE1 4.08Å; V998-F1130 HydrophobicContact CB-CZ 4.24Å; V998-F1130 HydrophobicContact CG1-CE1 3.81Å; V998-F1130 HydrophobicContact CG1-CZ 4.28Å; V998-F1130 HydrophobicContact CG2-CE1 4.43Å; L1000-F1130 HydrophobicContact CD1-CE2 3.99Å; L1000-F1130 HydrophobicContact CD1-CZ 4.11Å; L1000-F1130 HydrophobicContact CD2-CE1 4.07Å; L1000-F1130 HydrophobicContact CD2-CZ 4.11Å; L1000-F1130 HydrophobicContact CG-CZ 4.21Å; Y1007-F1130 CarbonylContact C-O 3.54Å; Y1007-F1130 WeakPolarHBondContact CA-O 3.31Å; Y1007-F1130 VanDerWaalsContact CB-O 3.27Å; Y1007-F1130 WeakPolarHBondContact CB-O 3.26Å; A1008-F1130 HydrophobicContact CB-CB 4.42Å; A1008-F1130 HydrophobicContact CB-CD1 4.34Å; A1008-F1130 PolarHBondContact N-O 2.85Å; A1008-F1130 PolarHBondContact O-N 2.85Å; F1010-F1130 HydrophobicContact CE2-CB 4.11Å; I1038-F1130 HydrophobicContact CG1-CD2 4.3Å; F1130-I1158 HydrophobicContact CE2-CB 4.12Å; F1130-I1158 HydrophobicContact CE2-CD1 3.63Å; F1130-I1158 HydrophobicContact CE2-CG1 4.44Å; F1130-I1158 HydrophobicContact CE2-CG2 3.92Å; F1130-I1158 HydrophobicContact CZ-CB 4Å; F1130-I1158 HydrophobicContact CZ-CD1 4.24Å; F1130-I1158 HydrophobicContact CZ-CG2 4.05Å; F1130-L1161 HydrophobicContact CD2-CD2 3.42Å; F1130-L1161 VanDerWaalsContact CD2-CD2 3.42Å; F1130-L1161 HydrophobicContact CE2-CD2 3.58Å; F1130-L1161 HydrophobicContact CG-CD2 4.05Å; F1130-L1161 HydrophobicContact CZ-CD2 4.33Å; F1130-L1172 HydrophobicContact CD1-CD1 3.92Å; F1130-L1172 HydrophobicContact CE1-CD1 3.88Å |
| 1131 | G | 90.2 | Very high | 69.3 | Low | 2 Ų | 2 | 75.9 Ų | 75.9 | 2% | 0.021 | 38% | 0.38 | C | S | . | . | S | Bend | trans | 79.4 | -175.9 | -163.2 | 0 | 0 | 0 | 0 | 0 | 112.8 | S1036 L1037 | S1036-G1131 CarbonylContact O-C 3.5Å; L1037-G1131 PolarHBondContact O-N 2.82Å |
| 1132 | E | 81.8 | Confident | 67 | Low | 70 Ų | 70 | 78.4 Ų | 78.4 | 33% | 0.327 | 40% | 0.399 | S | S | . | . | trans | -102.7 | 105.8 | -175.8 | -169.6 | 173.1 | 167.4 | 0 | 0 | 110.7 | M1035 | M1035-E1132 HydrophobicContact CE-CB 4.39Š| ||
| 1133 | A | 64.9 | Low | 64.3 | Low | 29 Ų | 29 | 85.7 Ų | 85.7 | 24% | 0.24 | 44% | 0.438 | C | S | . | . | P | Polyproline II helix | trans | -65.6 | 146.8 | 171.7 | 0 | 0 | 0 | 0 | 0 | 110.4 | Y1007 Y1129 K1135 | Y1007-A1133 HydrophobicContact CD2-CB 3.88Å; Y1007-A1133 HydrophobicContact CE2-CB 3.99Å; Y1007-A1133 HydrophobicContact CG-CB 4.26Å; Y1129-A1133 HydrophobicContact CD1-CB 4.2Å; A1133-K1135 PolarHBondContact O-N 3.32Å; A1133-K1135 VanDerWaalsContact O-N 3.15Å |
| 1134 | P | 59.6 | Low | 61.9 | Low | 62 Ų | 62 | 89.9 Ų | 89.9 | 40% | 0.403 | 46% | 0.46 | S | S | . | . | P | Polyproline II helix | trans | -59.4 | 122.8 | 174.1 | 23.1 | -30.4 | 0 | 0 | 0 | 109.7 | Y1007 M1136 | Y1007-P1134 HydrophobicContact CE1-CG 4.34Å; P1134-M1136 PolarHBondContact O-N 2.7Å; P1134-M1136 VanDerWaalsContact O-N 3.13Å |
| 1135 | K | 56.8 | Low | 59.4 | Low | 173 Ų | 173 | 94.9 Ų | 94.9 | 75% | 0.752 | 49% | 0.488 | S | S | * | . | P | Polyproline II helix | trans | -53.4 | 121.9 | 158.3 | -63.3 | -175.9 | -179 | -178.3 | 0 | 106 | A1133 K1137 | A1133-K1135 PolarHBondContact O-N 3.32Å; A1133-K1135 VanDerWaalsContact O-N 3.15Å; K1135-K1137 PolarHBondContact O-N 2.79Å |
| 1136 | M | 36.7 | Very low | 56.9 | Low | 191 Ų | 191 | 99.3 Ų | 99.3 | 94% | 0.941 | 52% | 0.519 | S | S | * | . | trans | -45.9 | 114.1 | 170.7 | -92.7 | -176.2 | 147.6 | 0 | 0 | 106.9 | P1134 E1138 | P1134-M1136 PolarHBondContact O-N 2.7Å; P1134-M1136 VanDerWaalsContact O-N 3.13Å; M1136-E1138 PolarHBondContact O-N 2.92Å; M1136-E1138 VanDerWaalsContact O-N 3.09Å | ||
| 1137 | K | 38.5 | Very low | 54.4 | Low | 154 Ų | 154 | 107.3 Ų | 107.3 | 67% | 0.67 | 55% | 0.554 | S | S | * | * | trans | -63.8 | 115.2 | -172.4 | -86 | -178.7 | 176.2 | 177.1 | 0 | 108.2 | K1135 N1139 | K1135-K1137 PolarHBondContact O-N 2.79Å; K1137-N1139 PolarHBondContact O-N 3.28Å | ||
| 1138 | E | 32.8 | Very low | 52 | Low | 177 Ų | 177 | 112.2 Ų | 112.2 | 83% | 0.827 | 58% | 0.579 | S | S | * | * | trans | -41.1 | 129.5 | 137.4 | -73.1 | 174.9 | 152 | 0 | 0 | 107.4 | M1136 L1140 | M1136-E1138 PolarHBondContact O-N 2.92Å; M1136-E1138 VanDerWaalsContact O-N 3.09Å; E1138-L1140 VanDerWaalsContact C-N 3.27Å; E1138-L1140 PolarHBondContact O-N 3.28Å | ||
| 1139 | N | 29 | Very low | 49.4 | Very low | 167 Ų | 167 | 117.6 Ų | 117.6 | 89% | 0.893 | 61% | 0.611 | S | S | * | * | trans | -48.9 | 84.1 | -175.6 | -70.5 | -35 | 0 | 0 | 0 | 112.6 | K1137 S1141 | K1137-N1139 PolarHBondContact O-N 3.28Å; N1139-S1141 PolarHBondContact O-N 3.37Å; N1139-S1141 VanDerWaalsContact O-N 3.11Å | ||
| 1140 | L | 33.8 | Very low | 47.1 | Very low | 125 Ų | 125 | 120.7 Ų | 120.7 | 65% | 0.654 | 64% | 0.64 | S | S | * | * | trans | -80 | 96.4 | 170 | -80 | 163.7 | 0 | 0 | 0 | 106.2 | E1138 V1142 | E1138-L1140 VanDerWaalsContact C-N 3.27Å; E1138-L1140 PolarHBondContact O-N 3.28Å; L1140-V1142 PolarHBondContact O-N 2.87Å | ||
| 1141 | S | 33 | Very low | 44.9 | Very low | 109 Ų | 109 | 128.8 Ų | 128.8 | 76% | 0.762 | 68% | 0.675 | S | S | * | * | trans | -45.2 | 104.6 | 166.8 | 59.5 | 0 | 0 | 0 | 0 | 109.3 | N1139 N1143 | N1139-S1141 PolarHBondContact O-N 3.37Å; N1139-S1141 VanDerWaalsContact O-N 3.11Å; S1141-N1143 PolarHBondContact O-N 2.74Å | ||
| 1142 | V | 38.4 | Very low | 43.5 | Very low | 106 Ų | 106 | 137.4 Ų | 137.4 | 64% | 0.642 | 71% | 0.712 | S | S | * | * | trans | -75.9 | 97.3 | 174.5 | 179.8 | 0 | 0 | 0 | 0 | 106.6 | L1140 N1144 | L1140-V1142 PolarHBondContact O-N 2.87Å; V1142-N1144 VanDerWaalsContact C-N 3.34Å; V1142-N1144 PolarHBondContact O-N 2.89Å | ||
| 1143 | N | 33.6 | Very low | 43.4 | Very low | 152 Ų | 152 | 134.6 Ų | 134.6 | 81% | 0.813 | 70% | 0.702 | S | S | * | * | trans | -61.4 | 101.8 | 158.1 | -104.1 | -13.4 | 0 | 0 | 0 | 107.3 | S1141 N1145 | S1141-N1143 PolarHBondContact O-N 2.74Å; N1143-N1145 PolarHBondContact O-N 3.42Å | ||
| 1144 | N | 36 | Very low | 44.6 | Very low | 139 Ų | 139 | 133.3 Ų | 133.3 | 74% | 0.743 | 69% | 0.691 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -60.4 | 96.3 | 165.7 | -80 | -17.3 | 0 | 0 | 0 | 108.1 | V1142 | V1142-N1144 VanDerWaalsContact C-N 3.34Å; V1142-N1144 PolarHBondContact O-N 2.89Å |
| 1145 | N | 36.5 | Very low | 46.1 | Very low | 168 Ų | 168 | 132.8 Ų | 132.8 | 90% | 0.898 | 68% | 0.683 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -177.7 | 17.7 | 151.4 | -92.3 | -16.8 | 0 | 0 | 0 | 116.5 | N1143 | N1143-N1145 PolarHBondContact O-N 3.42Š|
| 1146 | S | 36.4 | Very low | 47.8 | Very low | 97 Ų | 97 | 124.6 Ų | 124.6 | 68% | 0.678 | 65% | 0.648 | S | S | * | * | trans | -105.4 | 105.3 | 160.8 | 62.2 | 0 | 0 | 0 | 0 | 109.6 | F1148 | S1146-F1148 PolarHBondContact O-N 3.46Š| ||
| 1147 | K | 35.3 | Very low | 50.5 | Low | 194 Ų | 194 | 116.5 Ų | 116.5 | 84% | 0.843 | 61% | 0.608 | S | S | * | * | trans | -39.1 | 119.3 | 154.9 | -78.7 | 171.5 | 175 | 171.9 | 0 | 107.1 | T1149 | K1147-T1149 PolarHBondContact O-N 2.98Š| ||
| 1148 | F | 39.6 | Very low | 53.1 | Low | 191 Ų | 191 | 109.2 Ų | 109.2 | 84% | 0.838 | 58% | 0.576 | S | S | * | * | trans | -59.4 | 80.8 | 169.9 | -95.9 | -97.1 | 0 | 0 | 0 | 108.1 | S1146 S1150 | S1146-F1148 PolarHBondContact O-N 3.46Å; F1148-S1150 PolarHBondContact O-N 2.85Å | ||
| 1149 | T | 38.8 | Very low | 55.9 | Low | 115 Ų | 115 | 100.8 Ų | 100.8 | 71% | 0.706 | 54% | 0.537 | S | S | * | . | trans | -63 | 115.8 | 158.1 | 49.2 | 0 | 0 | 0 | 0 | 104.9 | K1147 K1151 | K1147-T1149 PolarHBondContact O-N 2.98Å; T1149-K1151 PolarHBondContact O-N 3.35Å | ||
| 1150 | S | 44.9 | Very low | 58.8 | Low | 113 Ų | 113 | 93.1 Ų | 93.1 | 79% | 0.79 | 50% | 0.497 | S | S | * | . | trans | -42.9 | 97.7 | -178.9 | 48.3 | 0 | 0 | 0 | 0 | 111.6 | F1148 K1152 | F1148-S1150 PolarHBondContact O-N 2.85Å; S1150-K1152 PolarHBondContact O-N 2.98Å; S1150-K1152 VanDerWaalsContact O-N 3.16Å | ||
| 1151 | K | 46.6 | Very low | 61.6 | Low | 170 Ų | 170 | 87.2 Ų | 87.2 | 74% | 0.739 | 47% | 0.466 | S | S | * | . | trans | -64.3 | 117.7 | 164.5 | -82.8 | -175.6 | 174.1 | -178.8 | 0 | 105.9 | T1149 G1153 | T1149-K1151 PolarHBondContact O-N 3.35Å; K1151-G1153 VanDerWaalsContact C-N 3.33Å; K1151-G1153 PolarHBondContact O-N 3.11Å | ||
| 1152 | K | 61 | Low | 64.4 | Low | 184 Ų | 184 | 82.8 Ų | 82.8 | 80% | 0.8 | 43% | 0.433 | S | S | * | . | trans | -60.5 | 94.6 | 168.5 | -76.1 | -174 | 178 | -174.6 | 0 | 107.8 | S1150 | S1150-K1152 PolarHBondContact O-N 2.98Å; S1150-K1152 VanDerWaalsContact O-N 3.16Å | ||
| 1153 | G | 79.3 | Confident | 66.9 | Low | 11 Ų | 11 | 78 Ų | 78 | 11% | 0.113 | 41% | 0.405 | C | S | . | . | trans | -94.1 | 176 | 171.4 | 0 | 0 | 0 | 0 | 0 | 111.5 | E1002 N1031 K1151 E1155 | E1002-G1153 WeakPolarHBondContact OE2-CA 3.48Å; N1031-G1153 PolarHBondContact ND2-O 3.03Å; K1151-G1153 VanDerWaalsContact C-N 3.33Å; K1151-G1153 PolarHBondContact O-N 3.11Å; G1153-E1155 PolarHBondContact O-N 2.65Å | ||
| 1154 | F | 91 | Very high | 69.5 | Low | 2 Ų | 2 | 71.3 Ų | 71.3 | 1% | 0.009 | 37% | 0.369 | C | S | . | . | trans | -49.8 | 136.8 | 177.2 | 173 | -83.8 | 0 | 0 | 0 | 111.1 | L1000 S1001 E1002 I1029 G1033 M1035 L1037 V1054 | L1000-F1154 HydrophobicContact CB-CE1 4.17Å; S1001-F1154 CarbonylContact C-O 3.54Å; S1001-F1154 VanDerWaalsContact CA-O 3.28Å; S1001-F1154 WeakPolarHBondContact CA-O 3.41Å; E1002-F1154 PolarHBondContact N-O 3.34Å; E1002-F1154 PolarHBondContact OE2-N 3.26Å; I1029-F1154 HydrophobicContact CD1-CE2 3.75Å; I1029-F1154 HydrophobicContact CG1-CE2 3.89Å; I1029-F1154 HydrophobicContact CG1-CZ 4.25Å; I1029-F1154 HydrophobicContact CG2-CD2 4.49Å; I1029-F1154 HydrophobicContact CG2-CE2 4.21Å; G1033-F1154 WeakPolarHBondContact O-CD2 3.18Å; M1035-F1154 HydrophobicContact CB-CB 3.86Å; M1035-F1154 HydrophobicContact CB-CD1 3.83Å; M1035-F1154 HydrophobicContact CB-CD2 3.98Å; M1035-F1154 HydrophobicContact CB-CE1 4.35Å; M1035-F1154 HydrophobicContact CB-CE2 4.46Å; M1035-F1154 HydrophobicContact CB-CG 3.62Å; M1035-F1154 HydrophobicContact CG-CD1 4.16Å; M1035-F1154 HydrophobicContact CG-CG 4.41Å; M1035-F1154 HydrophobicContact SD-CB 4.34Å; M1035-F1154 HydrophobicContact SD-CD1 3.23Å; M1035-F1154 WeakPolarHBondContact SD-CD1 3.45Å; M1035-F1154 HydrophobicContact SD-CE1 3.67Å; M1035-F1154 HydrophobicContact SD-CG 3.98Å; L1037-F1154 HydrophobicContact CD2-CE1 4.26Å; L1037-F1154 HydrophobicContact CD2-CE2 4.41Å; L1037-F1154 HydrophobicContact CD2-CZ 3.8Å; V1054-F1154 HydrophobicContact CB-CE2 4.44Å; V1054-F1154 HydrophobicContact CG2-CE2 4.19Å | ||
| 1155 | E | 90.8 | Very high | 71.8 | Confident | 50 Ų | 50 | 67.4 Ų | 67.4 | 23% | 0.234 | 35% | 0.348 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -141.5 | 132.5 | 169.2 | -161.9 | -169.8 | 142.8 | 0 | 0 | 110.1 | R999 L1000 T1030 N1031 G1153 | R999-E1155 IonicContact CZ-OE1 2.64Å; R999-E1155 IonicContact NE-OE1 2.91Å; R999-E1155 PolarHBondContact NE-OE1 2.71Å; R999-E1155 VanDerWaalsContact NH2-CD 3.3Å; R999-E1155 IonicContact NH2-OE1 2.82Å; R999-E1155 PolarHBondContact NH2-OE1 2.87Å; R999-E1155 IonicContact NH2-OE2 3.63Å; L1000-E1155 WeakPolarHBondContact O-CA 3.48Å; T1030-E1155 PolarHBondContact N-O 2.62Å; T1030-E1155 PolarHBondContact OG1-O 2.97Å; N1031-E1155 HydrophobicContact CB-CB 3.57Å; N1031-E1155 PolarHBondContact N-O 2.64Å; N1031-E1155 PolarHBondContact O-N 2.74Å; G1153-E1155 PolarHBondContact O-N 2.65Å |
| 1156 | G | 92 | Very high | 74 | Confident | 1 Ų | 1 | 59.9 Ų | 59.9 | 1% | 0.01 | 31% | 0.307 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -168.7 | 172.6 | 178.1 | 0 | 0 | 0 | 0 | 0 | 113.5 | R999 L1000 Q1028 | R999-G1156 CarbonylContact C-O 3.41Å; R999-G1156 WeakPolarHBondContact CA-O 3.33Å; L1000-G1156 PolarHBondContact N-O 2.85Å; L1000-G1156 PolarHBondContact O-N 3.04Å; Q1028-G1156 CarbonylContact O-C 3.56Å; Q1028-G1156 WeakPolarHBondContact O-CA 3.42Å |
| 1157 | F | 93.2 | Very high | 76.3 | Confident | 22 Ų | 22 | 56.6 Ų | 56.6 | 10% | 0.096 | 28% | 0.282 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.3 | 134 | 177.2 | -64.1 | -92.2 | 0 | 0 | 0 | 109.6 | V998 R999 I1027 Q1028 T1030 N1191 F1194 | V998-F1157 WeakPolarHBondContact O-CA 3.3Å; R999-F1157 HydrophobicContact CB-CD1 3.86Å; R999-F1157 HydrophobicContact CB-CE1 3.61Å; R999-F1157 HydrophobicContact CB-CZ 4.27Å; R999-F1157 HydrophobicContact CG-CD1 4.35Å; R999-F1157 HydrophobicContact CG-CE1 3.91Å; R999-F1157 HydrophobicContact CG-CZ 4.05Å; I1027-F1157 CarbonylContact C-O 3.55Å; I1027-F1157 VanDerWaalsContact CA-O 3.32Å; I1027-F1157 WeakPolarHBondContact CA-O 3.41Å; Q1028-F1157 PolarHBondContact N-O 3.39Å; Q1028-F1157 PolarHBondContact O-N 3.33Å; T1030-F1157 HydrophobicContact CG2-CD2 4.04Å; T1030-F1157 HydrophobicContact CG2-CE2 3.8Å; F1157-N1191 HydrophobicContact CD1-CB 4.45Å; F1157-N1191 HydrophobicContact CE1-CB 3.96Å; F1157-F1194 HydrophobicContact CB-CD2 4.24Å; F1157-F1194 HydrophobicContact CB-CE1 4.24Å; F1157-F1194 HydrophobicContact CB-CE2 3.75Å; F1157-F1194 HydrophobicContact CB-CZ 3.75Å; F1157-F1194 AromaticContact CD1-CD2 3.72Å; F1157-F1194 HydrophobicContact CD1-CD2 3.72Å; F1157-F1194 AromaticContact CD1-CE2 3.96Å; F1157-F1194 HydrophobicContact CD1-CE2 3.96Å; F1157-F1194 HydrophobicContact CD1-CG 4.32Å; F1157-F1194 HydrophobicContact CD2-CD2 4.02Å; F1157-F1194 AromaticContact CD2-CE2 3.46Å; F1157-F1194 HydrophobicContact CD2-CE2 3.46Å; F1157-F1194 VanDerWaalsContact CD2-CE2 3.46Å; F1157-F1194 HydrophobicContact CD2-CZ 4.19Å; F1157-F1194 HydrophobicContact CE1-CD2 4.02Å; F1157-F1194 HydrophobicContact CE1-CE2 4.44Å; F1157-F1194 HydrophobicContact CE2-CD2 4.3Å; F1157-F1194 HydrophobicContact CE2-CE2 4.01Å; F1157-F1194 AromaticContact CG-CD2 3.72Å; F1157-F1194 HydrophobicContact CG-CD2 3.72Å; F1157-F1194 AromaticContact CG-CE2 3.43Å; F1157-F1194 HydrophobicContact CG-CE2 3.43Å; F1157-F1194 VanDerWaalsContact CG-CE2 3.43Å; F1157-F1194 HydrophobicContact CG-CG 4.49Å; F1157-F1194 AromaticContact CG-CZ 3.98Å; F1157-F1194 HydrophobicContact CG-CZ 3.98Å; F1157-F1194 HydrophobicContact CZ-CD2 4.3Å; F1157-F1194 HydrophobicContact CZ-CE2 4.47Å |
| 1158 | I | 93.8 | Very high | 78.7 | Confident | 1 Ų | 1 | 47.4 Ų | 47.4 | 1% | 0.005 | 24% | 0.242 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.1 | 134.2 | 167.9 | -68.1 | -176.9 | 0 | 0 | 0 | 108.3 | S997 V998 L1000 F1025 G1026 I1027 L1037 F1130 L1161 | S997-I1158 WeakPolarHBondContact CA-O 3.39Å; V998-I1158 PolarHBondContact N-O 3.16Å; V998-I1158 PolarHBondContact O-N 2.81Å; L1000-I1158 HydrophobicContact CD1-CD1 3.53Å; L1000-I1158 HydrophobicContact CD1-CG1 4.24Å; L1000-I1158 HydrophobicContact CG-CD1 4.49Å; F1025-I1158 HydrophobicContact CB-CG2 3.99Å; F1025-I1158 HydrophobicContact CD2-CG1 4.49Å; F1025-I1158 HydrophobicContact CD2-CG2 4.07Å; F1025-I1158 HydrophobicContact CG-CG2 4.25Å; G1026-I1158 CarbonylContact O-C 3.55Å; G1026-I1158 VanDerWaalsContact O-CA 3.29Å; G1026-I1158 WeakPolarHBondContact O-CA 3.45Å; I1027-I1158 HydrophobicContact CD1-CG1 4.45Å; I1027-I1158 HydrophobicContact CG1-CG1 4.34Å; L1037-I1158 HydrophobicContact CB-CD1 4.24Å; L1037-I1158 HydrophobicContact CD1-CD1 4.36Å; L1037-I1158 HydrophobicContact CD2-CD1 4.2Å; F1130-I1158 HydrophobicContact CE2-CB 4.12Å; F1130-I1158 HydrophobicContact CE2-CD1 3.63Å; F1130-I1158 HydrophobicContact CE2-CG1 4.44Å; F1130-I1158 HydrophobicContact CE2-CG2 3.92Å; F1130-I1158 HydrophobicContact CZ-CB 4Å; F1130-I1158 HydrophobicContact CZ-CD1 4.24Å; F1130-I1158 HydrophobicContact CZ-CG2 4.05Å; I1158-L1161 HydrophobicContact CG2-CB 4.17Å |
| 1159 | T | 91.4 | Very high | 80.8 | Confident | 0 Ų | 0 | 38.3 Ų | 38.3 | 0% | 0 | 20% | 0.202 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.9 | 135 | -174.2 | 71 | 0 | 0 | 0 | 0 | 111.3 | T996 S997 G1026 F1088 L1161 F1194 | T996-T1159 WeakPolarHBondContact O-CA 3.44Å; S997-T1159 WeakPolarHBondContact OG-CG2 3.31Å; G1026-T1159 WeakPolarHBondContact CA-OG1 3.4Å; G1026-T1159 PolarHBondContact N-O 2.88Å; G1026-T1159 PolarHBondContact O-N 3.22Å; F1088-T1159 HydrophobicContact CE2-CG2 3.78Å; F1088-T1159 VanDerWaalsContact CE2-OG1 3.22Å; F1088-T1159 WeakPolarHBondContact CE2-OG1 3.5Å; F1088-T1159 HydrophobicContact CZ-CG2 4.44Å; F1088-T1159 WeakPolarHBondContact CZ-OG1 3.29Å; T1159-L1161 PolarHBondContact O-N 3.44Å; T1159-F1194 HydrophobicContact CG2-CD1 3.84Å; T1159-F1194 HydrophobicContact CG2-CE1 3.71Å |
| 1160 | G | 88.8 | Confident | 82.4 | Confident | 5 Ų | 5 | 34.6 Ų | 34.6 | 5% | 0.052 | 18% | 0.178 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 57.2 | 48.2 | 174 | 0 | 0 | 0 | 0 | 0 | 113.3 | T996 N1162 | T996-G1160 PolarHBondContact O-N 2.94Å; T996-G1160 VanDerWaalsContact O-N 3.12Å; G1160-N1162 PolarHBondContact O-N 3.11Å |
| 1161 | L | 93 | Very high | 83.6 | Confident | 1 Ų | 1 | 29.9 Ų | 29.9 | 1% | 0.005 | 14% | 0.144 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -67.6 | 113.2 | -179.4 | 174.5 | 60.4 | 0 | 0 | 0 | 110.5 | L1023 F1025 I1038 F1130 I1158 T1159 N1167 L1168 T1169 | L1023-L1161 HydrophobicContact CD1-CD1 3.76Å; F1025-L1161 HydrophobicContact CB-CB 4.32Å; F1025-L1161 HydrophobicContact CB-CD1 3.87Å; F1025-L1161 HydrophobicContact CD1-CD1 3.8Å; F1025-L1161 HydrophobicContact CG-CD1 4.1Å; I1038-L1161 HydrophobicContact CD1-CD1 3.44Å; I1038-L1161 VanDerWaalsContact CD1-CD1 3.44Å; I1038-L1161 HydrophobicContact CD1-CD2 4.32Å; I1038-L1161 HydrophobicContact CG1-CD1 4.34Å; I1038-L1161 HydrophobicContact CG1-CD2 4.36Å; F1130-L1161 HydrophobicContact CD2-CD2 3.42Å; F1130-L1161 VanDerWaalsContact CD2-CD2 3.42Å; F1130-L1161 HydrophobicContact CE2-CD2 3.58Å; F1130-L1161 HydrophobicContact CG-CD2 4.05Å; F1130-L1161 HydrophobicContact CZ-CD2 4.33Å; I1158-L1161 HydrophobicContact CG2-CB 4.17Å; T1159-L1161 PolarHBondContact O-N 3.44Å; L1161-N1167 CarbonylContact O-C 3.57Å; L1161-N1167 WeakPolarHBondContact O-CA 3.34Å; L1161-N1167 PolarHBondContact O-OD1 3.43Å; L1161-L1168 HydrophobicContact CD2-CB 4.06Å; L1161-L1168 HydrophobicContact CD2-CD1 3.95Å; L1161-L1168 HydrophobicContact CG-CB 4.1Å; L1161-L1168 HydrophobicContact CG-CD1 4.09Å; L1161-L1168 HydrophobicContact CG-CG 4.48Å; L1161-L1168 PolarHBondContact O-N 3.46Å; L1161-T1169 HydrophobicContact CB-CG2 3.91Å; L1161-T1169 PolarHBondContact N-OG1 2.91Å |
| 1162 | N | 91.8 | Very high | 84.9 | Confident | 16 Ų | 16 | 21.9 Ų | 21.9 | 9% | 0.086 | 11% | 0.109 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.1 | 131.1 | -176.9 | -160.8 | -52.2 | 0 | 0 | 0 | 112 | S982 L1023 A1024 G1160 N1165 I1166 | S982-N1162 VanDerWaalsContact CA-ND2 3.32Å; S982-N1162 WeakPolarHBondContact CA-ND2 3.31Å; S982-N1162 WeakPolarHBondContact CB-ND2 3.28Å; S982-N1162 WeakPolarHBondContact O-CB 3.31Å; L1023-N1162 CarbonylContact C-O 3.48Å; L1023-N1162 VanDerWaalsContact CA-O 3.31Å; L1023-N1162 WeakPolarHBondContact CA-O 3.32Å; L1023-N1162 VanDerWaalsContact CD1-O 3.25Å; L1023-N1162 WeakPolarHBondContact CD1-O 3.43Å; A1024-N1162 PolarHBondContact N-O 3.4Å; A1024-N1162 PolarHBondContact O-N 2.98Å; G1160-N1162 PolarHBondContact O-N 3.11Å; N1162-N1165 VanDerWaalsContact OD1-C 3.22Å; N1162-N1165 WeakPolarHBondContact OD1-CA 3.26Å; N1162-N1165 PolarHBondContact OD1-N 2.73Å; N1162-I1166 CarbonylContact C-O 3.52Å; N1162-I1166 VanDerWaalsContact CA-O 3.26Å; N1162-I1166 WeakPolarHBondContact CA-O 3.35Å; N1162-I1166 PolarHBondContact OD1-N 2.88Å |
| 1163 | L | 91.9 | Very high | 85 | Confident | 7 Ų | 7 | 17.1 Ų | 17.1 | 4% | 0.037 | 9% | 0.087 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125 | 120.2 | 170.3 | 176.7 | 66.6 | 0 | 0 | 0 | 109.6 | K1022 L1023 I1040 I1128 N1165 I1166 L1168 | K1022-L1163 CarbonylContact O-C 3.44Å; K1022-L1163 WeakPolarHBondContact O-CA 3.16Å; L1023-L1163 HydrophobicContact CB-CD1 4.29Å; L1023-L1163 HydrophobicContact CD1-CB 4.21Å; L1023-L1163 HydrophobicContact CD1-CD1 4.25Å; I1040-L1163 HydrophobicContact CD1-CD1 3.76Å; I1040-L1163 HydrophobicContact CD1-CD2 3.84Å; I1040-L1163 HydrophobicContact CD1-CG 4.46Å; I1128-L1163 HydrophobicContact CD1-CD2 3.54Å; I1128-L1163 HydrophobicContact CG1-CD2 4.05Å; L1163-N1165 PolarHBondContact O-N 2.56Å; L1163-I1166 PolarHBondContact N-O 3.48Å; L1163-I1166 WeakPolarHBondContact O-CA 3.04Å; L1163-I1166 WeakPolarHBondContact O-CB 3.47Å; L1163-I1166 PolarHBondContact O-N 2.88Å; L1163-L1168 HydrophobicContact CB-CD1 4.2Å |
| 1164 | N | 87.6 | Confident | 83.7 | Confident | 11 Ų | 11 | 16.9 Ų | 16.9 | 6% | 0.059 | 9% | 0.085 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 49.2 | 43.5 | 177.1 | -64.9 | -19 | 0 | 0 | 0 | 113.2 | R661 D1021 K1022 I1166 | R661-N1164 PolarHBondContact NH2-O 3.14Å; D1021-N1164 VanDerWaalsContact CA-OD1 3.29Å; D1021-N1164 WeakPolarHBondContact CA-OD1 3.03Å; D1021-N1164 PolarHBondContact OD1-ND2 2.92Å; K1022-N1164 PolarHBondContact N-OD1 3.14Å; K1022-N1164 PolarHBondContact O-N 3.02Å; N1164-I1166 VanDerWaalsContact C-N 3.33Å |
| 1165 | N | 83.2 | Confident | 82.1 | Confident | 57 Ų | 57 | 21.1 Ų | 21.1 | 31% | 0.305 | 11% | 0.107 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 71.9 | 16.6 | -176.8 | -62.4 | 38.9 | 0 | 0 | 0 | 114.9 | D980 N1162 L1163 | D980-N1165 PolarHBondContact OD2-ND2 3.31Å; N1162-N1165 VanDerWaalsContact OD1-C 3.22Å; N1162-N1165 WeakPolarHBondContact OD1-CA 3.26Å; N1162-N1165 PolarHBondContact OD1-N 2.73Å; L1163-N1165 PolarHBondContact O-N 2.56Å |
| 1166 | I | 83.8 | Confident | 80.2 | Confident | 10 Ų | 10 | 22.3 Ų | 22.3 | 5% | 0.051 | 11% | 0.113 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.4 | 112.9 | 176.3 | -56.8 | 168.4 | 0 | 0 | 0 | 109.2 | P556 L557 N1162 L1163 N1164 L1168 L1171 V1177 I1180 | P556-I1166 HydrophobicContact CB-CD1 4.35Å; P556-I1166 HydrophobicContact CB-CG1 3.7Å; P556-I1166 HydrophobicContact CG-CG1 4.22Å; L557-I1166 HydrophobicContact CD2-CD1 4.1Å; L557-I1166 HydrophobicContact CG-CD1 4.28Å; N1162-I1166 CarbonylContact C-O 3.52Å; N1162-I1166 VanDerWaalsContact CA-O 3.26Å; N1162-I1166 WeakPolarHBondContact CA-O 3.35Å; N1162-I1166 PolarHBondContact OD1-N 2.88Å; L1163-I1166 PolarHBondContact N-O 3.48Å; L1163-I1166 WeakPolarHBondContact O-CA 3.04Å; L1163-I1166 WeakPolarHBondContact O-CB 3.47Å; L1163-I1166 PolarHBondContact O-N 2.88Å; N1164-I1166 VanDerWaalsContact C-N 3.33Å; I1166-L1168 HydrophobicContact CG2-CD2 4.01Å; I1166-L1168 PolarHBondContact O-N 3.33Å; I1166-L1168 VanDerWaalsContact O-N 3.15Å; I1166-L1171 HydrophobicContact CG2-CD1 4.21Å; I1166-V1177 HydrophobicContact CG2-CB 4.5Å; I1166-V1177 HydrophobicContact CG2-CG1 4.5Å; I1166-V1177 HydrophobicContact CG2-CG2 4.21Å; I1166-I1180 HydrophobicContact CD1-CD1 3.29Å; I1166-I1180 HydrophobicContact CG1-CD1 4.29Å; I1166-I1180 HydrophobicContact CG2-CD1 3.88Å |
| 1167 | N | 85.1 | Confident | 78.7 | Confident | 28 Ų | 28 | 23.6 Ų | 23.6 | 15% | 0.15 | 12% | 0.121 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -76.5 | 98.9 | 173.5 | -173.4 | -18.3 | 0 | 0 | 0 | 110.5 | L1161 T1169 D1170 L1171 | L1161-N1167 CarbonylContact O-C 3.57Å; L1161-N1167 WeakPolarHBondContact O-CA 3.34Å; L1161-N1167 PolarHBondContact O-OD1 3.43Å; N1167-T1169 VanDerWaalsContact C-N 3.32Å; N1167-T1169 PolarHBondContact O-N 2.02Å; N1167-T1169 PolarHBondContact OD1-N 2.99Å; N1167-T1169 VanDerWaalsContact OD1-N 3.08Å; N1167-T1169 PolarHBondContact OD1-OG1 2.92Å; N1167-D1170 HydrophobicContact CB-CB 4.11Å; N1167-D1170 VanDerWaalsContact CG-OD2 3.26Å; N1167-D1170 PolarHBondContact ND2-OD1 2.82Å; N1167-D1170 VanDerWaalsContact ND2-OD1 3.12Å; N1167-D1170 PolarHBondContact ND2-OD2 2.79Å; N1167-D1170 PolarHBondContact O-N 3.38Å; N1167-D1170 PolarHBondContact OD1-N 2.86Å; N1167-L1171 PolarHBondContact O-N 2.78Å |
| 1168 | L | 85.7 | Confident | 77 | Confident | 1 Ų | 1 | 23.4 Ų | 23.4 | 1% | 0.005 | 12% | 0.122 | C | C | . | . | H | α-helix | trans | -68.4 | -29.1 | -179.6 | -60.8 | 178.6 | 0 | 0 | 0 | 112.6 | F1010 I1128 L1161 L1163 I1166 D1170 L1171 L1172 | F1010-L1168 HydrophobicContact CD2-CD1 4.47Å; F1010-L1168 HydrophobicContact CD2-CD2 4.29Å; F1010-L1168 HydrophobicContact CE2-CB 4Å; F1010-L1168 HydrophobicContact CE2-CD1 4.46Å; F1010-L1168 HydrophobicContact CE2-CD2 4.46Å; F1010-L1168 HydrophobicContact CG-CD2 4.36Å; F1010-L1168 HydrophobicContact CZ-CB 4.05Å; F1010-L1168 WeakPolarHBondContact CZ-O 3.25Å; I1128-L1168 HydrophobicContact CD1-CD1 4.47Å; I1128-L1168 HydrophobicContact CD1-CD2 4.3Å; I1128-L1168 HydrophobicContact CG2-CD1 3.8Å; L1161-L1168 HydrophobicContact CD2-CB 4.06Å; L1161-L1168 HydrophobicContact CD2-CD1 3.95Å; L1161-L1168 HydrophobicContact CG-CB 4.1Å; L1161-L1168 HydrophobicContact CG-CD1 4.09Å; L1161-L1168 HydrophobicContact CG-CG 4.48Å; L1161-L1168 PolarHBondContact O-N 3.46Å; L1163-L1168 HydrophobicContact CB-CD1 4.2Å; I1166-L1168 HydrophobicContact CG2-CD2 4.01Å; I1166-L1168 PolarHBondContact O-N 3.33Å; I1166-L1168 VanDerWaalsContact O-N 3.15Å; L1168-D1170 VanDerWaalsContact C-N 3.3Å; L1168-L1171 HydrophobicContact CD2-CD1 3.9Å; L1168-L1171 WeakPolarHBondContact O-CB 3.06Å; L1168-L1171 PolarHBondContact O-N 2.83Å; L1168-L1172 PolarHBondContact O-N 2.89Å |
| 1169 | T | 83.4 | Confident | 75.5 | Confident | 0 Ų | 0 | 23.6 Ų | 23.6 | 0% | 0 | 13% | 0.125 | C | C | . | . | H | α-helix | trans | -68.2 | -32.1 | 175.5 | 37 | 0 | 0 | 0 | 0 | 112.5 | V998 L1161 N1167 L1171 L1172 Y1173 | V998-T1169 HydrophobicContact CG2-CG2 3.83Å; L1161-T1169 HydrophobicContact CB-CG2 3.91Å; L1161-T1169 PolarHBondContact N-OG1 2.91Å; N1167-T1169 VanDerWaalsContact C-N 3.32Å; N1167-T1169 PolarHBondContact O-N 2.02Å; N1167-T1169 PolarHBondContact OD1-N 2.99Å; N1167-T1169 VanDerWaalsContact OD1-N 3.08Å; N1167-T1169 PolarHBondContact OD1-OG1 2.92Å; T1169-L1171 VanDerWaalsContact C-N 3.33Å; T1169-L1172 WeakPolarHBondContact O-CB 3.29Å; T1169-L1172 PolarHBondContact O-N 2.91Å; T1169-Y1173 PolarHBondContact O-N 3.16Å |
| 1170 | D | 71.6 | Confident | 74.3 | Confident | 36 Ų | 36 | 24.3 Ų | 24.3 | 19% | 0.193 | 13% | 0.128 | C | C | . | . | H | α-helix | trans | -70 | -32.8 | 175.7 | -72 | -1.6 | 0 | 0 | 0 | 111.6 | T996 N1167 L1168 L1172 Y1173 G1174 N1175 | T996-D1170 PolarHBondContact OG1-OD1 2.89Å; N1167-D1170 HydrophobicContact CB-CB 4.11Å; N1167-D1170 VanDerWaalsContact CG-OD2 3.26Å; N1167-D1170 PolarHBondContact ND2-OD1 2.82Å; N1167-D1170 VanDerWaalsContact ND2-OD1 3.12Å; N1167-D1170 PolarHBondContact ND2-OD2 2.79Å; N1167-D1170 PolarHBondContact O-N 3.38Å; N1167-D1170 PolarHBondContact OD1-N 2.86Å; L1168-D1170 VanDerWaalsContact C-N 3.3Å; D1170-L1172 PolarHBondContact O-N 2.71Å; D1170-Y1173 WeakPolarHBondContact O-CA 3.2Å; D1170-Y1173 WeakPolarHBondContact O-CB 3.22Å; D1170-Y1173 PolarHBondContact O-N 2.81Å; D1170-G1174 PolarHBondContact O-N 3.38Å; D1170-N1175 HydrophobicContact CB-CB 4.17Å; D1170-N1175 WeakPolarHBondContact CB-ND2 3.26Å; D1170-N1175 WeakPolarHBondContact O-CB 3.36Å; D1170-N1175 PolarHBondContact O-N 2.89Å; D1170-N1175 VanDerWaalsContact O-N 3.11Å |
| 1171 | L | 71.3 | Confident | 73.2 | Confident | 14 Ų | 14 | 27.5 Ų | 27.5 | 7% | 0.073 | 14% | 0.139 | C | C | . | . | H | α-helix | trans | -62.1 | -32.6 | 172.6 | -62.8 | -179.6 | 0 | 0 | 0 | 112.8 | F1010 I1166 N1167 L1168 T1169 Y1173 G1174 N1175 V1177 I1180 | F1010-L1171 HydrophobicContact CD1-CB 4.37Å; F1010-L1171 HydrophobicContact CD1-CD1 4Å; F1010-L1171 HydrophobicContact CE1-CB 3.69Å; F1010-L1171 HydrophobicContact CE1-CD1 4.04Å; F1010-L1171 HydrophobicContact CZ-CB 4.49Å; I1166-L1171 HydrophobicContact CG2-CD1 4.21Å; N1167-L1171 PolarHBondContact O-N 2.78Å; L1168-L1171 HydrophobicContact CD2-CD1 3.9Å; L1168-L1171 WeakPolarHBondContact O-CB 3.06Å; L1168-L1171 PolarHBondContact O-N 2.83Å; T1169-L1171 VanDerWaalsContact C-N 3.33Å; L1171-Y1173 VanDerWaalsContact C-N 3.27Å; L1171-G1174 PolarHBondContact O-N 2.99Å; L1171-N1175 WeakPolarHBondContact CA-O 3.45Å; L1171-N1175 WeakPolarHBondContact CD2-O 3.22Å; L1171-V1177 HydrophobicContact CD2-CB 3.9Å; L1171-V1177 HydrophobicContact CD2-CG2 3.75Å; L1171-I1180 HydrophobicContact CD1-CB 4.35Å; L1171-I1180 HydrophobicContact CD1-CG2 3.58Å |
| 1172 | L | 73.6 | Confident | 72.2 | Confident | 2 Ų | 2 | 29.2 Ų | 29.2 | 1% | 0.01 | 15% | 0.148 | C | C | . | . | H | α-helix | trans | -69.4 | -29.5 | 174.1 | -61.6 | 171.9 | 0 | 0 | 0 | 111.8 | V998 A1008 F1010 F1130 L1168 T1169 D1170 G1174 L1182 I1188 F1190 | V998-L1172 HydrophobicContact CG2-CD1 3.99Å; A1008-L1172 HydrophobicContact CB-CD2 3.53Å; F1010-L1172 HydrophobicContact CE1-CD2 4Å; F1010-L1172 HydrophobicContact CE1-CG 4.3Å; F1010-L1172 HydrophobicContact CZ-CD1 4.31Å; F1010-L1172 HydrophobicContact CZ-CD2 3.61Å; F1010-L1172 HydrophobicContact CZ-CG 3.75Å; F1130-L1172 HydrophobicContact CD1-CD1 3.92Å; F1130-L1172 HydrophobicContact CE1-CD1 3.88Å; L1168-L1172 PolarHBondContact O-N 2.89Å; T1169-L1172 WeakPolarHBondContact O-CB 3.29Å; T1169-L1172 PolarHBondContact O-N 2.91Å; D1170-L1172 PolarHBondContact O-N 2.71Å; L1172-G1174 PolarHBondContact O-N 2.92Å; L1172-L1182 HydrophobicContact CD2-CD1 3.74Å; L1172-L1182 HydrophobicContact CD2-CD2 4.16Å; L1172-I1188 HydrophobicContact CD1-CG2 4.43Å; L1172-F1190 HydrophobicContact CB-CE1 3.61Å; L1172-F1190 HydrophobicContact CB-CZ 3.63Å; L1172-F1190 VanDerWaalsContact O-CZ 3.27Å; L1172-F1190 WeakPolarHBondContact O-CZ 3.26Å |
| 1173 | Y | 63.5 | Low | 71.2 | Confident | 85 Ų | 85 | 31.1 Ų | 31.1 | 33% | 0.333 | 16% | 0.156 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -80 | -2 | 179.3 | -150.9 | -96.8 | 0 | 0 | 0 | 113.4 | I330 T996 T1169 D1170 L1171 F1190 | I330-Y1173 HydrophobicContact CG2-CD1 4.25Å; I330-Y1173 HydrophobicContact CG2-CE1 3.36Å; T996-Y1173 HydrophobicContact CG2-CD2 4.12Å; T1169-Y1173 PolarHBondContact O-N 3.16Å; D1170-Y1173 WeakPolarHBondContact O-CA 3.2Å; D1170-Y1173 WeakPolarHBondContact O-CB 3.22Å; D1170-Y1173 PolarHBondContact O-N 2.81Å; L1171-Y1173 VanDerWaalsContact C-N 3.27Å; Y1173-F1190 HydrophobicContact CD2-CD1 4.09Å; Y1173-F1190 HydrophobicContact CD2-CE1 4.3Å; Y1173-F1190 HydrophobicContact CD2-CG 4.5Å |
| 1174 | G | 52.3 | Low | 70.5 | Confident | 6 Ų | 6 | 33 Ų | 33 | 6% | 0.062 | 17% | 0.168 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 99.7 | 1.4 | 179.7 | 0 | 0 | 0 | 0 | 0 | 114.7 | D1170 L1171 L1172 | D1170-G1174 PolarHBondContact O-N 3.38Å; L1171-G1174 PolarHBondContact O-N 2.99Å; L1172-G1174 PolarHBondContact O-N 2.92Å |
| 1175 | N | 55.5 | Low | 70.1 | Confident | 91 Ų | 91 | 35.2 Ų | 35.2 | 49% | 0.487 | 18% | 0.175 | S | C | . | . | trans | -67.4 | 144.9 | 168.1 | -66.9 | -12 | 0 | 0 | 0 | 109.1 | D1170 L1171 | D1170-N1175 HydrophobicContact CB-CB 4.17Å; D1170-N1175 WeakPolarHBondContact CB-ND2 3.26Å; D1170-N1175 WeakPolarHBondContact O-CB 3.36Å; D1170-N1175 PolarHBondContact O-N 2.89Å; D1170-N1175 VanDerWaalsContact O-N 3.11Å; L1171-N1175 WeakPolarHBondContact CA-O 3.45Å; L1171-N1175 WeakPolarHBondContact CD2-O 3.22Å | ||
| 1176 | M | 51.9 | Low | 70 | Confident | 74 Ų | 74 | 36 Ų | 36 | 37% | 0.365 | 18% | 0.177 | S | C | . | . | trans | -111.7 | 133.4 | 177.8 | -69.7 | -145.7 | 171.8 | 0 | 0 | 111.6 | E324 L325 L336 | E324-M1176 VanDerWaalsContact C-CE 3.46Å; E324-M1176 HydrophobicContact CB-CE 3.86Å; E324-M1176 HydrophobicContact CB-SD 4.14Å; E324-M1176 WeakPolarHBondContact O-CE 3.13Å; E324-M1176 WeakPolarHBondContact O-CG 3.36Å; L325-M1176 HydrophobicContact CD2-SD 4.5Å; L336-M1176 HydrophobicContact CD1-CE 3.58Å | ||
| 1177 | V | 60.7 | Low | 69.8 | Low | 28 Ų | 28 | 39.8 Ų | 39.8 | 17% | 0.17 | 20% | 0.197 | C | C | . | . | trans | -112.4 | 110.5 | 165.2 | 175.1 | 0 | 0 | 0 | 0 | 107.7 | P556 I1166 L1171 G1179 I1180 | P556-V1177 HydrophobicContact CG-CG1 3.76Å; I1166-V1177 HydrophobicContact CG2-CB 4.5Å; I1166-V1177 HydrophobicContact CG2-CG1 4.5Å; I1166-V1177 HydrophobicContact CG2-CG2 4.21Å; L1171-V1177 HydrophobicContact CD2-CB 3.9Å; L1171-V1177 HydrophobicContact CD2-CG2 3.75Å; V1177-G1179 PolarHBondContact O-N 2.92Å; V1177-I1180 HydrophobicContact CG1-CD1 4.14Å; V1177-I1180 PolarHBondContact O-N 3.21Å | ||
| 1178 | P | 57.1 | Low | 69.5 | Low | 18 Ų | 18 | 39.6 Ų | 39.6 | 12% | 0.117 | 20% | 0.196 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -50.6 | 118.1 | -179.2 | -34.5 | 39.4 | 0 | 0 | 0 | 114.4 | I444 S446 F447 L557 | I444-P1178 HydrophobicContact CB-CB 4.42Å; I444-P1178 HydrophobicContact CB-CG 3.67Å; I444-P1178 HydrophobicContact CD1-CG 4.39Å; I444-P1178 HydrophobicContact CG1-CG 3.6Å; I444-P1178 HydrophobicContact CG2-CB 3.56Å; I444-P1178 HydrophobicContact CG2-CG 3.11Å; S446-P1178 WeakPolarHBondContact OG-CB 3.42Å; S446-P1178 PolarHBondContact OG-O 2.89Å; F447-P1178 HydrophobicContact CD2-CB 3.82Å; F447-P1178 HydrophobicContact CD2-CG 4.2Å; F447-P1178 HydrophobicContact CE1-CB 4.17Å; F447-P1178 HydrophobicContact CE2-CB 3.31Å; F447-P1178 HydrophobicContact CE2-CG 3.7Å; F447-P1178 HydrophobicContact CG-CB 4.35Å; F447-P1178 HydrophobicContact CZ-CB 3.55Å; F447-P1178 HydrophobicContact CZ-CG 4.34Å; L557-P1178 VanDerWaalsContact CD1-O 3.25Å; L557-P1178 WeakPolarHBondContact CD1-O 2.96Å |
| 1179 | G | 62.1 | Low | 69.2 | Low | 6 Ų | 6 | 43.4 Ų | 43.4 | 6% | 0.062 | 21% | 0.214 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 99.5 | -0.2 | -176.5 | 0 | 0 | 0 | 0 | 0 | 114.7 | L1012 N1013 V1177 | L1012-G1179 CarbonylContact C-O 3.58Å; L1012-G1179 VanDerWaalsContact CA-O 3.29Å; L1012-G1179 WeakPolarHBondContact CA-O 3.42Å; N1013-G1179 PolarHBondContact N-O 3.01Å; V1177-G1179 PolarHBondContact O-N 2.92Å |
| 1180 | I | 67.1 | Low | 69 | Low | 14 Ų | 14 | 46.2 Ų | 46.2 | 7% | 0.072 | 23% | 0.226 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.1 | 129.7 | 170.3 | -68.7 | 159.1 | 0 | 0 | 0 | 109.9 | L557 F1010 L1012 I1166 L1171 V1177 | L557-I1180 HydrophobicContact CD1-CD1 3.97Å; L557-I1180 HydrophobicContact CD1-CG1 3.93Å; L557-I1180 HydrophobicContact CD2-CD1 4.43Å; L557-I1180 HydrophobicContact CG-CD1 4.38Å; F1010-I1180 HydrophobicContact CB-CG2 4.03Å; F1010-I1180 HydrophobicContact CD1-CG2 4.32Å; L1012-I1180 HydrophobicContact CD1-CG1 4.47Å; L1012-I1180 HydrophobicContact CG-CG1 4.01Å; I1166-I1180 HydrophobicContact CD1-CD1 3.29Å; I1166-I1180 HydrophobicContact CG1-CD1 4.29Å; I1166-I1180 HydrophobicContact CG2-CD1 3.88Å; L1171-I1180 HydrophobicContact CD1-CB 4.35Å; L1171-I1180 HydrophobicContact CD1-CG2 3.58Å; V1177-I1180 HydrophobicContact CG1-CD1 4.14Å; V1177-I1180 PolarHBondContact O-N 3.21Å |
| 1181 | Y | 65.2 | Low | 69.3 | Low | 73 Ų | 73 | 46.9 Ų | 46.9 | 29% | 0.286 | 23% | 0.23 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.5 | 137.3 | -174.3 | -60.3 | -95.3 | 0 | 0 | 0 | 110 | F347 F447 F1010 E1011 N1013 K1183 | F347-Y1181 AromaticContact CZ-CZ 3.95Å; F347-Y1181 WeakPolarHBondContact CZ-OH 3.44Å; F447-Y1181 WeakPolarHBondContact CE1-OH 3.44Å; F447-Y1181 WeakPolarHBondContact CZ-OH 3.08Å; F1010-Y1181 CarbonylContact C-O 3.45Å; F1010-Y1181 WeakPolarHBondContact CA-O 3.24Å; E1011-Y1181 PolarHBondContact N-O 2.78Å; E1011-Y1181 PolarHBondContact O-N 3.13Å; N1013-Y1181 HydrophobicContact CB-CE2 4.15Å; N1013-Y1181 WeakPolarHBondContact ND2-CE2 3.28Å; N1013-Y1181 PolarHBondContact ND2-OH 2.86Å; N1013-Y1181 WeakPolarHBondContact OD1-CD2 3.49Å; N1013-Y1181 WeakPolarHBondContact OD1-CE2 3.39Å; Y1181-K1183 PolarHBondContact O-N 2.7Å |
| 1182 | L | 72.2 | Confident | 69.1 | Low | 37 Ų | 37 | 50.3 Ų | 50.3 | 19% | 0.194 | 25% | 0.253 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -76.6 | 99.8 | 167.3 | -178.5 | 62.8 | 0 | 0 | 0 | 108.8 | A1008 F1010 L1172 T1184 R1185 | A1008-L1182 HydrophobicContact CB-CD1 3.94Å; F1010-L1182 HydrophobicContact CD1-CD1 4.06Å; F1010-L1182 HydrophobicContact CE1-CD1 3.84Å; F1010-L1182 HydrophobicContact CZ-CD1 4.35Å; L1172-L1182 HydrophobicContact CD2-CD1 3.74Å; L1172-L1182 HydrophobicContact CD2-CD2 4.16Å; L1182-T1184 WeakPolarHBondContact CD1-O 3.41Å; L1182-R1185 HydrophobicContact CD1-CB 4.46Å; L1182-R1185 HydrophobicContact CD2-CB 4.4Å; L1182-R1185 HydrophobicContact CD2-CG 4.27Å |
| 1183 | K | 70.5 | Confident | 69 | Low | 55 Ų | 55 | 56.3 Ų | 56.3 | 24% | 0.239 | 29% | 0.285 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -69.1 | -41.6 | -178.2 | -173.7 | -172.9 | -168.6 | 127.4 | 0 | 112.4 | K343 V1009 E1011 Y1181 | K343-K1183 PolarHBondContact NZ-O 3.25Å; V1009-K1183 HydrophobicContact CB-CB 4.3Å; V1009-K1183 HydrophobicContact CG1-CB 4.3Å; V1009-K1183 HydrophobicContact CG1-CD 4.17Å; V1009-K1183 WeakPolarHBondContact O-CA 3.32Å; V1009-K1183 WeakPolarHBondContact O-CB 3.37Å; V1009-K1183 PolarHBondContact O-N 3.2Å; E1011-K1183 HydrophobicContact CB-CB 4.37Å; E1011-K1183 IonicContact OE1-NZ 3.9Å; E1011-K1183 PolarHBondContact OE1-NZ 2.03Å; E1011-K1183 VanDerWaalsContact OE2-CD 3.27Å; E1011-K1183 WeakPolarHBondContact OE2-CD 3.49Å; E1011-K1183 WeakPolarHBondContact OE2-CE 3.35Å; E1011-K1183 IonicContact OE2-NZ 3.5Å; E1011-K1183 PolarHBondContact OE2-NZ 3.33Å; Y1181-K1183 PolarHBondContact O-N 2.7Å |
| 1184 | T | 76.7 | Confident | 69.9 | Low | 47 Ų | 47 | 53.2 Ų | 53.2 | 29% | 0.288 | 27% | 0.273 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -159.7 | 153.6 | 178.4 | 179.6 | 0 | 0 | 0 | 0 | 109.7 | Y1007 A1008 V1009 L1182 | Y1007-T1184 HydrophobicContact CE2-CG2 3.93Å; A1008-T1184 CarbonylContact C-O 3.15Å; A1008-T1184 VanDerWaalsContact CA-O 3.3Å; A1008-T1184 WeakPolarHBondContact CA-O 3.3Å; V1009-T1184 HydrophobicContact CB-CG2 3.73Å; V1009-T1184 HydrophobicContact CG2-CG2 3.59Å; V1009-T1184 PolarHBondContact N-O 3.12Å; V1009-T1184 PolarHBondContact O-N 3.13Å; L1182-T1184 WeakPolarHBondContact CD1-O 3.41Å |
| 1185 | R | 79.6 | Confident | 71.4 | Confident | 57 Ų | 57 | 61.8 Ų | 61.8 | 22% | 0.215 | 31% | 0.309 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -142.4 | 146.3 | 167.2 | 61.7 | 171.3 | -176.4 | -162.2 | 1.4 | 109 | E337 Y1007 A1008 L1182 I1188 | E337-R1185 IonicContact OE1-CZ 3.58Å; E337-R1185 IonicContact OE1-NE 2.7Å; E337-R1185 PolarHBondContact OE1-NE 3.15Å; E337-R1185 IonicContact OE1-NH2 3.03Å; E337-R1185 PolarHBondContact OE1-NH2 3.07Å; Y1007-R1185 CarbonylContact O-C 3.52Å; Y1007-R1185 VanDerWaalsContact O-CA 3.31Å; Y1007-R1185 WeakPolarHBondContact O-CA 3.5Å; A1008-R1185 HydrophobicContact CB-CB 4.26Å; L1182-R1185 HydrophobicContact CD1-CB 4.46Å; L1182-R1185 HydrophobicContact CD2-CB 4.4Å; L1182-R1185 HydrophobicContact CD2-CG 4.27Å; R1185-I1188 HydrophobicContact CB-CG1 4.13Å |
| 1186 | E | 81.6 | Confident | 72.9 | Confident | 75 Ų | 75 | 58.8 Ų | 58.8 | 35% | 0.35 | 29% | 0.294 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.3 | 126.1 | 176.8 | -158.8 | -179.2 | 140.5 | 0 | 0 | 109.3 | R1006 Y1007 I1188 | R1006-E1186 WeakPolarHBondContact CA-O 3.17Å; Y1007-E1186 HydrophobicContact CD1-CB 3.95Å; Y1007-E1186 HydrophobicContact CE1-CB 3.44Å; Y1007-E1186 VanDerWaalsContact CE1-CB 3.44Å; Y1007-E1186 HydrophobicContact CE1-CG 4.17Å; Y1007-E1186 WeakPolarHBondContact CE1-OE2 3.39Å; Y1007-E1186 VanDerWaalsContact CZ-OE2 3.23Å; Y1007-E1186 PolarHBondContact N-O 2.88Å; Y1007-E1186 PolarHBondContact O-N 2.68Å; Y1007-E1186 PolarHBondContact OH-OE2 2.76Å; E1186-I1188 PolarHBondContact O-N 3.01Å |
| 1187 | N | 79 | Confident | 74.7 | Confident | 89 Ų | 89 | 57.5 Ų | 57.5 | 48% | 0.476 | 29% | 0.289 | S | S | . | . | S | Bend | trans | 50.8 | 23.5 | 174.5 | -56.7 | -49.1 | 0 | 0 | 0 | 116.4 | R1005 R1006 E1189 | R1005-N1187 PolarHBondContact O-ND2 3.17Å; R1006-N1187 WeakPolarHBondContact CD-O 3.41Å; R1006-N1187 HydrophobicContact CG-CB 4Å; R1006-N1187 VanDerWaalsContact CG-O 3.24Å; R1006-N1187 WeakPolarHBondContact CG-O 3.37Å; R1006-N1187 PolarHBondContact NE-O 3.23Å; N1187-E1189 PolarHBondContact O-N 3.24Å |
| 1188 | I | 79.8 | Confident | 75.7 | Confident | 24 Ų | 24 | 57.2 Ų | 57.2 | 12% | 0.123 | 29% | 0.286 | C | S | . | . | trans | -62.7 | 120.4 | 177.3 | -66.7 | -67.1 | 0 | 0 | 0 | 109.3 | V998 L1000 R1006 A1008 L1172 R1185 E1186 F1190 | V998-I1188 HydrophobicContact CG1-CD1 4.11Å; V998-I1188 HydrophobicContact CG1-CG2 3.79Å; L1000-I1188 HydrophobicContact CD2-CD1 4.45Å; R1006-I1188 HydrophobicContact CB-CD1 4.36Å; A1008-I1188 HydrophobicContact CB-CD1 4.43Å; A1008-I1188 HydrophobicContact CB-CG1 4.48Å; L1172-I1188 HydrophobicContact CD1-CG2 4.43Å; R1185-I1188 HydrophobicContact CB-CG1 4.13Å; E1186-I1188 PolarHBondContact O-N 3.01Å; I1188-F1190 HydrophobicContact CG2-CE1 4.16Å; I1188-F1190 HydrophobicContact CG2-CE2 3.98Å; I1188-F1190 HydrophobicContact CG2-CZ 3.78Å | ||
| 1189 | E | 78.8 | Confident | 77 | Confident | 81 Ų | 81 | 63.8 Ų | 63.8 | 38% | 0.379 | 31% | 0.313 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.2 | 122.3 | 176.3 | -167.9 | -172.8 | 172.5 | 0 | 0 | 109.2 | R999 R1006 N1187 | R999-E1189 HydrophobicContact CB-CB 4.45Å; R999-E1189 WeakPolarHBondContact CD-OE2 3.26Å; R999-E1189 IonicContact CZ-OE2 3.47Å; R999-E1189 PolarHBondContact N-O 3.27Å; R999-E1189 IonicContact NE-OE2 3.06Å; R999-E1189 IonicContact NH1-OE1 3.74Å; R999-E1189 IonicContact NH1-OE2 2.73Å; R999-E1189 PolarHBondContact NH1-OE2 3.48Å; R1006-E1189 IonicContact CZ-OE2 3.72Å; R1006-E1189 IonicContact NH1-OE2 2.72Å; R1006-E1189 PolarHBondContact NH1-OE2 3.18Å; R1006-E1189 IonicContact NH2-OE2 3.45Å; R1006-E1189 PolarHBondContact NH2-OE2 3.04Å; N1187-E1189 PolarHBondContact O-N 3.24Å |
| 1190 | F | 79.1 | Confident | 77.8 | Confident | 59 Ų | 59 | 65.7 Ų | 65.7 | 26% | 0.259 | 32% | 0.319 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.7 | 140.3 | 173.8 | -58.2 | -84.2 | 0 | 0 | 0 | 110.1 | T996 V998 L1172 Y1173 I1188 | T996-F1190 HydrophobicContact CG2-CD1 4.42Å; V998-F1190 HydrophobicContact CG2-CD1 4.04Å; V998-F1190 HydrophobicContact CG2-CE1 4.07Å; L1172-F1190 HydrophobicContact CB-CE1 3.61Å; L1172-F1190 HydrophobicContact CB-CZ 3.63Å; L1172-F1190 VanDerWaalsContact O-CZ 3.27Å; L1172-F1190 WeakPolarHBondContact O-CZ 3.26Å; Y1173-F1190 HydrophobicContact CD2-CD1 4.09Å; Y1173-F1190 HydrophobicContact CD2-CE1 4.3Å; Y1173-F1190 HydrophobicContact CD2-CG 4.5Å; I1188-F1190 HydrophobicContact CG2-CE1 4.16Å; I1188-F1190 HydrophobicContact CG2-CE2 3.98Å; I1188-F1190 HydrophobicContact CG2-CZ 3.78Å |
| 1191 | N | 77 | Confident | 78.2 | Confident | 49 Ų | 49 | 65.2 Ų | 65.2 | 26% | 0.262 | 32% | 0.317 | S | S | . | . | trans | -121.1 | 87.6 | 170 | -172.8 | -1.6 | 0 | 0 | 0 | 109.7 | S997 F1157 N1193 F1194 | S997-N1191 PolarHBondContact O-N 2.8Å; F1157-N1191 HydrophobicContact CD1-CB 4.45Å; F1157-N1191 HydrophobicContact CE1-CB 3.96Å; N1191-N1193 PolarHBondContact O-N 3.26Å; N1191-N1193 PolarHBondContact OD1-N 2.76Å; N1191-F1194 HydrophobicContact CB-CB 4.04Å; N1191-F1194 WeakPolarHBondContact O-CB 3.16Å; N1191-F1194 PolarHBondContact O-N 2.6Å; N1191-F1194 VanDerWaalsContact O-N 3.15Å; N1191-F1194 PolarHBondContact OD1-N 3.1Å; N1191-F1194 VanDerWaalsContact OD1-N 3.13Å | ||
| 1192 | P | 67.7 | Low | 78.7 | Confident | 87 Ų | 87 | 66.2 Ų | 66.2 | 57% | 0.565 | 32% | 0.324 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -64.6 | -19.7 | 178.4 | 26.9 | -34.4 | 0 | 0 | 0 | 112.6 | ||
| 1193 | N | 72 | Confident | 78.2 | Confident | 127 Ų | 127 | 67.1 Ų | 67.1 | 68% | 0.679 | 34% | 0.337 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -99.6 | 14.9 | 179.3 | -65.7 | -30.8 | 0 | 0 | 0 | 112.7 | N1191 K1195 | N1191-N1193 PolarHBondContact O-N 3.26Å; N1191-N1193 PolarHBondContact OD1-N 2.76Å; N1193-K1195 PolarHBondContact O-N 2.67Å |
| 1194 | F | 82.3 | Confident | 77.8 | Confident | 21 Ų | 21 | 66.1 Ų | 66.1 | 9% | 0.092 | 33% | 0.333 | C | S | . | . | trans | -61.3 | 121.8 | 179.4 | 179 | -109.2 | 0 | 0 | 0 | 110.4 | S997 Q1028 F1088 F1157 T1159 N1191 P1196 | S997-F1194 VanDerWaalsContact OG-CD1 3.31Å; S997-F1194 WeakPolarHBondContact OG-CD1 3.3Å; Q1028-F1194 HydrophobicContact CB-CZ 4.06Å; F1088-F1194 HydrophobicContact CD2-CE1 4.22Å; F1088-F1194 HydrophobicContact CE2-CE1 4.24Å; F1157-F1194 HydrophobicContact CB-CD2 4.24Å; F1157-F1194 HydrophobicContact CB-CE1 4.24Å; F1157-F1194 HydrophobicContact CB-CE2 3.75Å; F1157-F1194 HydrophobicContact CB-CZ 3.75Å; F1157-F1194 AromaticContact CD1-CD2 3.72Å; F1157-F1194 HydrophobicContact CD1-CD2 3.72Å; F1157-F1194 AromaticContact CD1-CE2 3.96Å; F1157-F1194 HydrophobicContact CD1-CE2 3.96Å; F1157-F1194 HydrophobicContact CD1-CG 4.32Å; F1157-F1194 HydrophobicContact CD2-CD2 4.02Å; F1157-F1194 AromaticContact CD2-CE2 3.46Å; F1157-F1194 HydrophobicContact CD2-CE2 3.46Å; F1157-F1194 VanDerWaalsContact CD2-CE2 3.46Å; F1157-F1194 HydrophobicContact CD2-CZ 4.19Å; F1157-F1194 HydrophobicContact CE1-CD2 4.02Å; F1157-F1194 HydrophobicContact CE1-CE2 4.44Å; F1157-F1194 HydrophobicContact CE2-CD2 4.3Å; F1157-F1194 HydrophobicContact CE2-CE2 4.01Å; F1157-F1194 AromaticContact CG-CD2 3.72Å; F1157-F1194 HydrophobicContact CG-CD2 3.72Å; F1157-F1194 AromaticContact CG-CE2 3.43Å; F1157-F1194 HydrophobicContact CG-CE2 3.43Å; F1157-F1194 VanDerWaalsContact CG-CE2 3.43Å; F1157-F1194 HydrophobicContact CG-CG 4.49Å; F1157-F1194 AromaticContact CG-CZ 3.98Å; F1157-F1194 HydrophobicContact CG-CZ 3.98Å; F1157-F1194 HydrophobicContact CZ-CD2 4.3Å; F1157-F1194 HydrophobicContact CZ-CE2 4.47Å; T1159-F1194 HydrophobicContact CG2-CD1 3.84Å; T1159-F1194 HydrophobicContact CG2-CE1 3.71Å; N1191-F1194 HydrophobicContact CB-CB 4.04Å; N1191-F1194 WeakPolarHBondContact O-CB 3.16Å; N1191-F1194 PolarHBondContact O-N 2.6Å; N1191-F1194 VanDerWaalsContact O-N 3.15Å; N1191-F1194 PolarHBondContact OD1-N 3.1Å; N1191-F1194 VanDerWaalsContact OD1-N 3.13Å; F1194-P1196 HydrophobicContact CE1-CB 3.78Å; F1194-P1196 HydrophobicContact CE1-CG 4.46Å; F1194-P1196 HydrophobicContact CZ-CB 4.3Å | ||
| 1195 | K | 83.9 | Confident | 76.8 | Confident | 186 Ų | 186 | 66.2 Ų | 66.2 | 81% | 0.809 | 34% | 0.335 | S | S | * | . | trans | -106.6 | 105.4 | 173.9 | -69.4 | -176 | -179.2 | -179.8 | 0 | 108.6 | N1193 | N1193-K1195 PolarHBondContact O-N 2.67Š| ||
| 1196 | P | 86.5 | Confident | 75.4 | Confident | 28 Ų | 28 | 71.2 Ų | 71.2 | 18% | 0.182 | 36% | 0.359 | C | S | . | . | trans | -64.6 | 143.7 | -179.2 | 24.5 | -32.4 | 0 | 0 | 0 | 111.7 | A994 F1088 F1194 M1198 | A994-P1196 HydrophobicContact CB-CG 4.11Å; F1088-P1196 HydrophobicContact CB-CB 3.87Å; F1088-P1196 HydrophobicContact CD1-CB 4.25Å; F1088-P1196 HydrophobicContact CD2-CB 3.49Å; F1088-P1196 VanDerWaalsContact CD2-CB 3.49Å; F1088-P1196 HydrophobicContact CE2-CB 3.99Å; F1088-P1196 HydrophobicContact CG-CB 3.62Å; F1194-P1196 HydrophobicContact CE1-CB 3.78Å; F1194-P1196 HydrophobicContact CE1-CG 4.46Å; F1194-P1196 HydrophobicContact CZ-CB 4.3Å; P1196-M1198 HydrophobicContact CB-CG 4.2Å; P1196-M1198 HydrophobicContact CB-SD 3.9Å; P1196-M1198 HydrophobicContact CG-CG 3.99Å; P1196-M1198 HydrophobicContact CG-SD 3.92Å; P1196-M1198 PolarHBondContact O-N 2.79Å | ||
| 1197 | N | 90 | Very high | 73.6 | Confident | 46 Ų | 46 | 77.3 Ų | 77.3 | 25% | 0.246 | 38% | 0.379 | C | S | . | . | trans | -78.3 | 85.1 | 173.4 | 179.8 | 11.6 | 0 | 0 | 0 | 110.6 | G1086 H1087 F1088 K1199 | G1086-N1197 PolarHBondContact O-ND2 3.03Å; H1087-N1197 PolarHBondContact CD2-ND2 3.27Å; F1088-N1197 PolarHBondContact N-O 3.08Å; F1088-N1197 VanDerWaalsContact N-O 3.1Å; N1197-K1199 VanDerWaalsContact C-N 3.29Å; N1197-K1199 PolarHBondContact O-N 3.18Å; N1197-K1199 WeakPolarHBondContact OD1-CG 3.38Å | ||
| 1198 | M | 82.5 | Confident | 71.5 | Confident | 23 Ų | 23 | 77.2 Ų | 77.2 | 11% | 0.113 | 38% | 0.381 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -80 | 4.8 | -172.3 | -63.8 | -60.4 | -72.1 | 0 | 0 | 115.5 | F966 F986 F1088 P1196 K1200 L1201 H1202 | F966-M1198 HydrophobicContact CD1-CE 4.42Å; F966-M1198 HydrophobicContact CE1-CE 3.48Å; F966-M1198 VanDerWaalsContact CE1-CE 3.48Å; F966-M1198 HydrophobicContact CE2-CE 4.34Å; F966-M1198 HydrophobicContact CZ-CE 3.43Å; F966-M1198 VanDerWaalsContact CZ-CE 3.43Å; F986-M1198 HydrophobicContact CE1-CE 4.07Å; F986-M1198 HydrophobicContact CE1-SD 4.39Å; F986-M1198 HydrophobicContact CE2-CE 4.36Å; F986-M1198 HydrophobicContact CZ-CE 3.45Å; F986-M1198 VanDerWaalsContact CZ-CE 3.45Å; F986-M1198 HydrophobicContact CZ-SD 3.85Å; F1088-M1198 HydrophobicContact CB-SD 4.23Å; F1088-M1198 HydrophobicContact CD1-SD 3.7Å; F1088-M1198 HydrophobicContact CE1-SD 4.32Å; F1088-M1198 HydrophobicContact CG-SD 4.18Å; P1196-M1198 HydrophobicContact CB-CG 4.2Å; P1196-M1198 HydrophobicContact CB-SD 3.9Å; P1196-M1198 HydrophobicContact CG-CG 3.99Å; P1196-M1198 HydrophobicContact CG-SD 3.92Å; P1196-M1198 PolarHBondContact O-N 2.79Å; M1198-K1200 VanDerWaalsContact C-N 3.26Å; M1198-K1200 PolarHBondContact O-N 2.93Å; M1198-K1200 VanDerWaalsContact O-N 3.15Å; M1198-L1201 HydrophobicContact CE-CB 3.89Å; M1198-L1201 HydrophobicContact CE-CD1 3.82Å; M1198-L1201 HydrophobicContact CE-CG 4.47Å; M1198-L1201 PolarHBondContact O-N 3.4Å; M1198-L1201 HydrophobicContact SD-CD1 4Å; M1198-H1202 WeakPolarHBondContact CB-CD2 3.36Å; M1198-H1202 WeakPolarHBondContact CB-NE2 3.42Å; M1198-H1202 PolarHBondContact O-CD2 2.9Å; M1198-H1202 PolarHBondContact O-N 2.85Å |
| 1199 | K | 82.5 | Confident | 69.1 | Low | 155 Ų | 155 | 82.4 Ų | 82.4 | 67% | 0.674 | 41% | 0.405 | S | S | * | . | H | α-helix | trans | -53.2 | -41.3 | -173.5 | -72 | 179.7 | -179.8 | -180 | 0 | 113.1 | N1197 A1203 | N1197-K1199 VanDerWaalsContact C-N 3.29Å; N1197-K1199 PolarHBondContact O-N 3.18Å; N1197-K1199 WeakPolarHBondContact OD1-CG 3.38Å; K1199-A1203 WeakPolarHBondContact O-CB 3.38Å; K1199-A1203 PolarHBondContact O-N 2.79Å |
| 1200 | K | 79 | Confident | 66.8 | Low | 46 Ų | 46 | 83.3 Ų | 83.3 | 20% | 0.2 | 42% | 0.418 | C | S | . | . | H | α-helix | trans | -71.8 | -49.1 | -179.4 | -164.8 | -179.2 | -172.4 | 174.4 | 0 | 112 | D1085 H1087 H1089 M1198 H1202 A1203 H1204 | D1085-K1200 IonicContact OD2-NZ 2.67Å; D1085-K1200 PolarHBondContact OD2-NZ 3.05Å; H1087-K1200 HydrophobicContact CB-CB 3.97Å; H1087-K1200 HydrophobicContact CB-CD 4.33Å; H1089-K1200 PolarHBondContact CE1-NZ 2.93Å; H1089-K1200 VanDerWaalsContact CE1-NZ 3.31Å; M1198-K1200 VanDerWaalsContact C-N 3.26Å; M1198-K1200 PolarHBondContact O-N 2.93Å; M1198-K1200 VanDerWaalsContact O-N 3.15Å; K1200-H1202 PolarHBondContact O-N 2.85Å; K1200-A1203 WeakPolarHBondContact O-CB 3.12Å; K1200-A1203 PolarHBondContact O-N 2.85Å; K1200-H1204 PolarHBondContact O-N 3.36Å; K1200-H1204 VanDerWaalsContact O-N 3.11Å; K1200-H1204 PolarHBondContact O-ND1 3.01Å |
| 1201 | L | 76.7 | Confident | 64.2 | Low | 4 Ų | 4 | 89.1 Ų | 89.1 | 2% | 0.021 | 45% | 0.446 | C | S | . | . | H | α-helix | trans | -62.7 | -40.5 | 179 | -84.1 | 151.1 | 0 | 0 | 0 | 113 | F1088 I1090 D1105 F1106 M1198 A1203 H1204 S1205 | F1088-L1201 HydrophobicContact CD1-CD1 3.51Å; F1088-L1201 HydrophobicContact CE1-CD1 4.24Å; F1088-L1201 HydrophobicContact CG-CD1 4.49Å; F1088-L1201 VanDerWaalsContact O-CD1 3.23Å; F1088-L1201 WeakPolarHBondContact O-CD1 3.28Å; I1090-L1201 HydrophobicContact CD1-CD1 4.28Å; I1090-L1201 HydrophobicContact CD1-CD2 3.73Å; I1090-L1201 HydrophobicContact CG1-CD1 4.16Å; I1090-L1201 HydrophobicContact CG1-CD2 4.17Å; D1105-L1201 HydrophobicContact CB-CD2 4.5Å; F1106-L1201 HydrophobicContact CE2-CD2 4.06Å; M1198-L1201 HydrophobicContact CE-CB 3.89Å; M1198-L1201 HydrophobicContact CE-CD1 3.82Å; M1198-L1201 HydrophobicContact CE-CG 4.47Å; M1198-L1201 PolarHBondContact O-N 3.4Å; M1198-L1201 HydrophobicContact SD-CD1 4Å; L1201-A1203 VanDerWaalsContact C-N 3.35Å; L1201-A1203 PolarHBondContact O-N 2.83Å; L1201-H1204 WeakPolarHBondContact O-CB 3.43Å; L1201-H1204 PolarHBondContact O-N 2.82Å; L1201-H1204 VanDerWaalsContact O-N 3.12Å; L1201-S1205 PolarHBondContact O-N 2.71Å |
| 1202 | H | 75.2 | Confident | 61.7 | Low | 94 Ų | 94 | 91.1 Ų | 91.1 | 44% | 0.435 | 47% | 0.47 | S | S | . | . | H | α-helix | trans | -66.3 | -36.2 | 175.1 | -73.3 | -49.3 | 0 | 0 | 0 | 112.7 | M1198 K1200 H1204 S1205 K1206 | M1198-H1202 WeakPolarHBondContact CB-CD2 3.36Å; M1198-H1202 WeakPolarHBondContact CB-NE2 3.42Å; M1198-H1202 PolarHBondContact O-CD2 2.9Å; M1198-H1202 PolarHBondContact O-N 2.85Å; K1200-H1202 PolarHBondContact O-N 2.85Å; H1202-H1204 PolarHBondContact O-N 2.91Å; H1202-S1205 PolarHBondContact O-N 3.08Å; H1202-K1206 PolarHBondContact O-N 2.83Å; H1202-K1206 VanDerWaalsContact O-N 3.08Å |
| 1203 | A | 62.6 | Low | 59.6 | Low | 56 Ų | 56 | 97.9 Ų | 97.9 | 46% | 0.463 | 48% | 0.484 | S | S | . | . | H | α-helix | trans | -63.2 | -30.9 | 172.5 | 0 | 0 | 0 | 0 | 0 | 112.1 | K1199 K1200 L1201 | K1199-A1203 WeakPolarHBondContact O-CB 3.38Å; K1199-A1203 PolarHBondContact O-N 2.79Å; K1200-A1203 WeakPolarHBondContact O-CB 3.12Å; K1200-A1203 PolarHBondContact O-N 2.85Å; L1201-A1203 VanDerWaalsContact C-N 3.35Å; L1201-A1203 PolarHBondContact O-N 2.83Å |
| 1204 | H | 61.5 | Low | 57.3 | Low | 34 Ų | 34 | 97.2 Ų | 97.2 | 16% | 0.157 | 49% | 0.489 | C | S | . | . | H | α-helix | trans | -76.3 | -44.6 | 175 | -70.8 | 56.4 | 0 | 0 | 0 | 111.6 | K1200 L1201 H1202 K1206 R1207 | K1200-H1204 PolarHBondContact O-N 3.36Å; K1200-H1204 VanDerWaalsContact O-N 3.11Å; K1200-H1204 PolarHBondContact O-ND1 3.01Å; L1201-H1204 WeakPolarHBondContact O-CB 3.43Å; L1201-H1204 PolarHBondContact O-N 2.82Å; L1201-H1204 VanDerWaalsContact O-N 3.12Å; H1202-H1204 PolarHBondContact O-N 2.91Å; H1204-K1206 VanDerWaalsContact C-N 3.29Å; H1204-K1206 PolarHBondContact O-N 2.89Å; H1204-R1207 PolarHBondContact O-N 2.8Å |
| 1205 | S | 56.1 | Low | 54.5 | Low | 49 Ų | 49 | 104 Ų | 104 | 34% | 0.343 | 52% | 0.521 | S | S | . | . | H | α-helix | trans | -59.6 | -34.9 | 177.5 | -173.2 | 0 | 0 | 0 | 0 | 113.4 | L1201 H1202 R1207 T1208 E1209 | L1201-S1205 PolarHBondContact O-N 2.71Å; H1202-S1205 PolarHBondContact O-N 3.08Å; S1205-R1207 VanDerWaalsContact C-N 3.31Å; S1205-R1207 PolarHBondContact O-N 2.79Å; S1205-T1208 WeakPolarHBondContact CA-OG1 3.35Å; S1205-T1208 PolarHBondContact O-N 2.79Å; S1205-T1208 PolarHBondContact O-OG1 3.28Å; S1205-E1209 PolarHBondContact O-N 2.71Å |
| 1206 | K | 50.5 | Low | 51.9 | Low | 163 Ų | 163 | 101.6 Ų | 101.6 | 71% | 0.709 | 52% | 0.517 | S | S | * | . | H | α-helix | trans | -69.5 | -24.8 | 176 | -76.6 | -173.1 | 177.2 | -171.7 | 0 | 113.7 | H1202 H1204 T1208 | H1202-K1206 PolarHBondContact O-N 2.83Å; H1202-K1206 VanDerWaalsContact O-N 3.08Å; H1204-K1206 VanDerWaalsContact C-N 3.29Å; H1204-K1206 PolarHBondContact O-N 2.89Å; K1206-T1208 VanDerWaalsContact C-N 3.29Å |
| 1207 | R | 42.5 | Very low | 49.1 | Very low | 203 Ų | 203 | 108.7 Ų | 108.7 | 77% | 0.766 | 55% | 0.548 | S | S | * | . | H | α-helix | trans | -77.8 | -15.2 | 174.7 | -71.7 | -179.7 | 177.4 | 176.9 | -1 | 112.8 | H1204 S1205 | H1204-R1207 PolarHBondContact O-N 2.8Å; S1205-R1207 VanDerWaalsContact C-N 3.31Å; S1205-R1207 PolarHBondContact O-N 2.79Å |
| 1208 | T | 36.2 | Very low | 45.9 | Very low | 87 Ų | 87 | 110.8 Ų | 110.8 | 53% | 0.534 | 57% | 0.572 | S | S | . | * | H | α-helix | trans | -96.2 | -16.9 | -179.8 | 44.4 | 0 | 0 | 0 | 0 | 114.2 | S1205 K1206 | S1205-T1208 WeakPolarHBondContact CA-OG1 3.35Å; S1205-T1208 PolarHBondContact O-N 2.79Å; S1205-T1208 PolarHBondContact O-OG1 3.28Å; K1206-T1208 VanDerWaalsContact C-N 3.29Å |
| 1209 | E | 29.4 | Very low | 43.3 | Very low | 133 Ų | 133 | 116.8 Ų | 116.8 | 62% | 0.621 | 60% | 0.604 | S | S | * | * | S | Bend | trans | -70.4 | 133.4 | 171 | -74.8 | -178.5 | 177.1 | 0 | 0 | 109.9 | S1205 E1211 | S1205-E1209 PolarHBondContact O-N 2.71Å; E1209-E1211 PolarHBondContact O-N 2.8Å |
| 1210 | P | 28.7 | Very low | 40.6 | Very low | 100 Ų | 100 | 116.6 Ų | 116.6 | 65% | 0.649 | 61% | 0.61 | S | S | * | * | trans | -63.9 | 111 | 179.2 | 25.1 | -30.1 | 0 | 0 | 0 | 109.1 | A1212 | P1210-A1212 PolarHBondContact O-N 2.68Š| ||
| 1211 | E | 25.2 | Very low | 38 | Very low | 180 Ų | 180 | 122.9 Ų | 122.9 | 84% | 0.841 | 64% | 0.643 | S | S | * | * | trans | -50.8 | 102.2 | 164.7 | -69.5 | 178.6 | 169.3 | 0 | 0 | 108.2 | E1209 R1213 | E1209-E1211 PolarHBondContact O-N 2.8Å; E1211-R1213 VanDerWaalsContact C-N 3.27Å; E1211-R1213 PolarHBondContact O-N 2.89Å | ||
| 1212 | A | 25.3 | Very low | 35.6 | Very low | 92 Ų | 92 | 131.8 Ų | 131.8 | 76% | 0.76 | 68% | 0.684 | S | S | * | * | trans | -57.1 | 102.7 | 156.7 | 0 | 0 | 0 | 0 | 0 | 105.3 | P1210 S1214 | P1210-A1212 PolarHBondContact O-N 2.68Å; A1212-S1214 PolarHBondContact O-N 2.91Å | ||
| 1213 | R | 22.8 | Very low | 33.1 | Very low | 228 Ų | 228 | 135 Ų | 135 | 86% | 0.86 | 70% | 0.704 | S | S | * | * | trans | -55.6 | 87.5 | 171.7 | -84.8 | -178.8 | 172.6 | 179.8 | -2 | 108.9 | E1211 Q1215 | E1211-R1213 VanDerWaalsContact C-N 3.27Å; E1211-R1213 PolarHBondContact O-N 2.89Å; R1213-Q1215 VanDerWaalsContact C-N 3.33Å; R1213-Q1215 PolarHBondContact O-N 3.04Å | ||
| 1214 | S | 24.4 | Very low | 31.3 | Very low | 113 Ų | 113 | 138.7 Ų | 138.7 | 79% | 0.79 | 72% | 0.72 | S | S | * | * | trans | -79.9 | 93.2 | 148.1 | 63.7 | 0 | 0 | 0 | 0 | 106.2 | A1212 N1216 | A1212-S1214 PolarHBondContact O-N 2.91Å; S1214-N1216 PolarHBondContact O-N 2.88Å; S1214-N1216 VanDerWaalsContact O-N 3.12Å | ||
| 1215 | Q | 23.6 | Very low | 29.5 | Very low | 163 Ų | 163 | 141.7 Ų | 141.7 | 76% | 0.762 | 75% | 0.751 | S | S | * | * | trans | -58.9 | 109 | 152.4 | -70.5 | 176.8 | -46.5 | 0 | 0 | 105.8 | R1213 | R1213-Q1215 VanDerWaalsContact C-N 3.33Å; R1213-Q1215 PolarHBondContact O-N 3.04Å | ||
| 1216 | N | 28.7 | Very low | 27.9 | Very low | 136 Ų | 136 | 145.1 Ų | 145.1 | 73% | 0.727 | 77% | 0.77 | S | S | * | * | trans | 178.1 | 117.8 | 130.5 | -81.9 | -13.4 | 0 | 0 | 0 | 110.6 | S1214 | S1214-N1216 PolarHBondContact O-N 2.88Å; S1214-N1216 VanDerWaalsContact O-N 3.12Å | ||
| 1217 | E | 27.2 | Very low | 26.7 | Very low | 178 Ų | 178 | 145.2 Ų | 145.2 | 83% | 0.832 | 78% | 0.779 | S | S | * | * | trans | 72.4 | 105.3 | 138 | -61 | -179.8 | 175.5 | 0 | 0 | 119.5 | N1219 | E1217-N1219 PolarHBondContact O-N 2.8Š| ||
| 1218 | A | 23.7 | Very low | 25.8 | Very low | 90 Ų | 90 | 144.2 Ų | 144.2 | 74% | 0.744 | 78% | 0.776 | S | S | * | * | trans | -49 | 124.1 | 145 | 0 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 1219 | N | 27.7 | Very low | 25.2 | Very low | 149 Ų | 149 | 147.8 Ų | 147.8 | 80% | 0.797 | 79% | 0.787 | S | S | * | * | trans | -173 | 125.5 | 132.7 | -86 | -25.4 | 0 | 0 | 0 | 110.3 | E1217 | E1217-N1219 PolarHBondContact O-N 2.8Š| ||
| 1220 | D | 26.2 | Very low | 25 | Very low | 151 Ų | 151 | 149 Ų | 149 | 81% | 0.807 | 80% | 0.797 | S | S | * | * | trans | 64.6 | 138.2 | 148.4 | -64 | -23.8 | 0 | 0 | 0 | 123.9 | ||||
| 1221 | M | 23.1 | Very low | 25 | Very low | 178 Ų | 178 | 148.2 Ų | 148.2 | 88% | 0.877 | 81% | 0.808 | S | S | * | * | trans | -52 | 128.3 | 177.2 | -63.1 | -178.9 | -78.3 | 0 | 0 | 113.7 | ||||
| 1222 | Q | 26.7 | Very low | 25.2 | Very low | 190 Ų | 190 | 146.2 Ų | 146.2 | 89% | 0.888 | 80% | 0.801 | S | S | * | * | -171 | 133.6 | 116.9 | -107.7 | 172 | -9.6 | 0 | 0 | 110.7 | T1224 | Q1222-T1224 PolarHBondContact O-N 3.14Š| |||
| 1223 | L | 23.1 | Very low | 25.2 | Very low | 163 Ų | 163 | 149.8 Ų | 149.8 | 85% | 0.853 | 81% | 0.807 | S | S | * | * | trans | -55.7 | 131.6 | 161.7 | -78.6 | 92.3 | 0 | 0 | 0 | 109.3 | ||||
| 1224 | T | 24.2 | Very low | 25.3 | Very low | 132 Ų | 132 | 145.2 Ų | 145.2 | 81% | 0.81 | 80% | 0.8 | S | S | * | * | -172.6 | 132.6 | 116 | 27.3 | 0 | 0 | 0 | 0 | 109.6 | Q1222 T1226 | Q1222-T1224 PolarHBondContact O-N 3.14Å; T1224-T1226 PolarHBondContact O-N 2.98Å | |||
| 1225 | A | 24.3 | Very low | 25.4 | Very low | 98 Ų | 98 | 150.2 Ų | 150.2 | 81% | 0.81 | 80% | 0.803 | S | S | * | * | trans | -63.8 | 113.6 | 169.4 | 0 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 1226 | T | 22.5 | Very low | 25.4 | Very low | 121 Ų | 121 | 150.9 Ų | 150.9 | 74% | 0.742 | 80% | 0.804 | S | S | * | * | trans | 170.9 | 103.8 | 146.3 | 35.1 | 0 | 0 | 0 | 0 | 107.4 | T1224 | T1224-T1226 PolarHBondContact O-N 2.98Š| ||
| 1227 | D | 24.9 | Very low | 25.4 | Very low | 164 Ų | 164 | 150 Ų | 150 | 88% | 0.877 | 80% | 0.803 | S | S | * | * | -174.6 | 140.1 | 114.6 | -93.5 | -21.9 | 0 | 0 | 0 | 112.5 | |||||
| 1228 | Y | 23.6 | Very low | 25.1 | Very low | 182 Ų | 182 | 150.4 Ų | 150.4 | 71% | 0.714 | 81% | 0.805 | S | S | * | * | trans | -63.7 | 144.8 | 174.8 | -99 | -118.1 | 0 | 0 | 0 | 112.1 | ||||
| 1229 | H | 23.9 | Very low | 25.1 | Very low | 163 Ų | 163 | 150.9 Ų | 150.9 | 76% | 0.755 | 80% | 0.803 | S | S | * | * | 153.9 | 108.1 | 117.2 | -85.2 | -69.4 | 0 | 0 | 0 | 110.3 | |||||
| 1230 | D | 25.8 | Very low | 24.9 | Very low | 157 Ų | 157 | 150.7 Ų | 150.7 | 84% | 0.84 | 80% | 0.8 | S | S | * | * | -179.3 | 111.6 | 119.8 | -92.2 | -20.2 | 0 | 0 | 0 | 112.4 | I1232 | D1230-I1232 PolarHBondContact O-N 2.98Š| |||
| 1231 | G | 28.4 | Very low | 24.9 | Very low | 85 Ų | 85 | 149 Ų | 149 | 88% | 0.876 | 80% | 0.795 | S | S | * | * | trans | 47.4 | 56.2 | 133 | 0 | 0 | 0 | 0 | 0 | 119.8 | ||||
| 1232 | I | 28.9 | Very low | 25.1 | Very low | 138 Ų | 138 | 146 Ų | 146 | 71% | 0.708 | 79% | 0.787 | S | S | * | * | trans | -121.7 | 125.7 | 154.3 | -61.6 | 177.7 | 0 | 0 | 0 | 106.5 | D1230 D1234 | D1230-I1232 PolarHBondContact O-N 2.98Å; I1232-D1234 PolarHBondContact O-N 2.95Å | ||
| 1233 | N | 25.5 | Very low | 25.3 | Very low | 166 Ų | 166 | 141.1 Ų | 141.1 | 89% | 0.888 | 77% | 0.772 | S | S | * | * | trans | -64.6 | 67 | 167.9 | -77.8 | -26.8 | 0 | 0 | 0 | 108.7 | Y1235 | N1233-Y1235 PolarHBondContact O-N 3.13Š| ||
| 1234 | D | 25 | Very low | 25.7 | Very low | 132 Ų | 132 | 139.8 Ų | 139.8 | 71% | 0.706 | 76% | 0.759 | S | S | * | * | trans | -64.4 | 115.4 | 159.5 | -89.9 | -19.4 | 0 | 0 | 0 | 105.1 | I1232 K1236 | I1232-D1234 PolarHBondContact O-N 2.95Å; D1234-K1236 PolarHBondContact O-N 3.21Å | ||
| 1235 | Y | 27.1 | Very low | 26.5 | Very low | 218 Ų | 218 | 139.6 Ų | 139.6 | 86% | 0.855 | 76% | 0.758 | S | S | * | * | trans | -46.7 | 98 | 148.4 | -75.2 | -88.2 | 0 | 0 | 0 | 106.1 | N1233 T1237 | N1233-Y1235 PolarHBondContact O-N 3.13Å; Y1235-T1237 PolarHBondContact O-N 2.97Å | ||
| 1236 | K | 23 | Very low | 27.4 | Very low | 177 Ų | 177 | 142 Ų | 142 | 77% | 0.77 | 75% | 0.752 | S | S | * | * | trans | -54 | 85.1 | 149.9 | -80.5 | -179.5 | 176.6 | 176.4 | 0 | 104.4 | D1234 Q1238 | D1234-K1236 PolarHBondContact O-N 3.21Å; K1236-Q1238 PolarHBondContact O-N 2.92Å | ||
| 1237 | T | 27.5 | Very low | 28.4 | Very low | 118 Ų | 118 | 137 Ų | 137 | 72% | 0.724 | 72% | 0.722 | S | S | * | * | trans | -54.3 | 107.4 | 152.7 | 50.9 | 0 | 0 | 0 | 0 | 102.8 | Y1235 S1239 | Y1235-T1237 PolarHBondContact O-N 2.97Å; T1237-S1239 VanDerWaalsContact C-N 3.35Å; T1237-S1239 PolarHBondContact O-N 3.36Å | ||
| 1238 | Q | 22.2 | Very low | 29.1 | Very low | 187 Ų | 187 | 134.1 Ų | 134.1 | 87% | 0.874 | 71% | 0.706 | S | S | * | * | trans | -49.9 | 107.4 | 175.5 | -72.3 | 171 | -23.9 | 0 | 0 | 106.5 | K1236 | K1236-Q1238 PolarHBondContact O-N 2.92Š| ||
| 1239 | S | 24.3 | Very low | 30 | Very low | 99 Ų | 99 | 131 Ų | 131 | 69% | 0.692 | 69% | 0.693 | S | S | * | * | trans | -59.9 | 142.8 | 156.2 | -44.7 | 0 | 0 | 0 | 0 | 106.1 | T1237 | T1237-S1239 VanDerWaalsContact C-N 3.35Å; T1237-S1239 PolarHBondContact O-N 3.36Å | ||
| 1240 | I | 23.1 | Very low | 31.1 | Very low | 145 Ų | 145 | 135 Ų | 135 | 74% | 0.744 | 70% | 0.703 | S | S | * | * | trans | 92.9 | 114.5 | 161.5 | -51.7 | 151.4 | 0 | 0 | 0 | 114.6 | ||||
| 1241 | V | 24.9 | Very low | 32 | Very low | 115 Ų | 115 | 131.3 Ų | 131.3 | 70% | 0.697 | 68% | 0.684 | S | S | * | * | -140.4 | 103.3 | 107.5 | -174.6 | 0 | 0 | 0 | 0 | 109.1 | |||||
| 1242 | V | 28.4 | Very low | 32.8 | Very low | 115 Ų | 115 | 132.1 Ų | 132.1 | 70% | 0.697 | 68% | 0.676 | S | S | * | * | P | Polyproline II helix | trans | -73.1 | 130.2 | 155.9 | 176 | 0 | 0 | 0 | 0 | 105.5 | K1244 | V1242-K1244 PolarHBondContact O-N 3.2Š|
| 1243 | P | 29.9 | Very low | 33.2 | Very low | 89 Ų | 89 | 127.6 Ų | 127.6 | 58% | 0.578 | 66% | 0.656 | S | S | * | * | P | Polyproline II helix | trans | -58.2 | 119.8 | -178.9 | 23.6 | -32.2 | 0 | 0 | 0 | 108.5 | T1245 | P1243-T1245 PolarHBondContact O-N 3.08Š|
| 1244 | K | 31.8 | Very low | 34.1 | Very low | 134 Ų | 134 | 123.2 Ų | 123.2 | 58% | 0.583 | 63% | 0.628 | S | S | * | * | P | Polyproline II helix | trans | -54.6 | 133.4 | 162.7 | -80.4 | -174.3 | 166.2 | -163.8 | 0 | 106.3 | V1242 E1246 C1247 | V1242-K1244 PolarHBondContact O-N 3.2Å; K1244-E1246 HydrophobicContact CB-CB 4.19Å; K1244-E1246 IonicContact NZ-OE2 2.71Å; K1244-E1246 PolarHBondContact NZ-OE2 3.48Å; K1244-E1246 PolarHBondContact O-N 2.87Å; K1244-C1247 PolarHBondContact O-N 3.24Å |
| 1245 | T | 40.8 | Very low | 35.2 | Very low | 129 Ų | 129 | 118.3 Ų | 118.3 | 79% | 0.791 | 60% | 0.602 | S | S | * | * | G | 310 helix | trans | -51 | -21.4 | 169.5 | 39.2 | 0 | 0 | 0 | 0 | 112.2 | P1243 | P1243-T1245 PolarHBondContact O-N 3.08Š|
| 1246 | E | 43.5 | Very low | 36.1 | Very low | 147 Ų | 147 | 115.8 Ų | 115.8 | 69% | 0.687 | 59% | 0.592 | S | S | * | * | G | 310 helix | trans | -72.1 | -20.1 | 173.8 | -58.2 | 168.4 | -180 | 0 | 0 | 115 | K1244 L1248 | K1244-E1246 HydrophobicContact CB-CB 4.19Å; K1244-E1246 IonicContact NZ-OE2 2.71Å; K1244-E1246 PolarHBondContact NZ-OE2 3.48Å; K1244-E1246 PolarHBondContact O-N 2.87Å; E1246-L1248 VanDerWaalsContact C-N 3.33Å |
| 1247 | C | 43.1 | Very low | 37 | Very low | 16 Ų | 16 | 116 Ų | 116 | 11% | 0.108 | 59% | 0.593 | C | S | . | * | G | 310 helix | trans | -78.8 | -16.3 | 177.8 | -71.7 | 0 | 0 | 0 | 0 | 112.6 | K1244 Y1254 C1259 | K1244-C1247 PolarHBondContact O-N 3.24Å; C1247-Y1254 HydrophobicContact CB-CE2 4.46Å; C1247-C1259 HydrophobicContact CB-CB 4.18Å; C1247-C1259 WeakPolarHBondContact CB-SG 3.34Å; C1247-C1259 WeakPolarHBondContact SG-CB 3.1Å; C1247-C1259 CovalentContact SG-SG 2.1Å; C1247-C1259 PolarHBondContact SG-SG 2.83Å |
| 1248 | L | 40.3 | Very low | 37.7 | Very low | 104 Ų | 104 | 118.2 Ų | 118.2 | 55% | 0.545 | 60% | 0.595 | S | S | . | * | B | Isolated β-bridge | trans | -92.5 | 111.2 | 171.8 | -82.3 | 154.6 | 0 | 0 | 0 | 108 | E1246 | E1246-L1248 VanDerWaalsContact C-N 3.33Å |
| 1249 | R | 43.5 | Very low | 38.6 | Very low | 117 Ų | 117 | 110.3 Ų | 110.3 | 44% | 0.442 | 56% | 0.56 | S | S | . | * | trans | -66.4 | 156.8 | 166.4 | -68.2 | -173.5 | 179.5 | -171.7 | 1.2 | 109.3 | D1251 S1252 S1253 | R1249-D1251 VanDerWaalsContact CB-OD1 3.25Å; R1249-D1251 WeakPolarHBondContact CB-OD1 3.39Å; R1249-D1251 PolarHBondContact O-N 2.8Å; R1249-S1252 PolarHBondContact O-N 3.15Å; R1249-S1253 PolarHBondContact N-O 2.97Å | ||
| 1250 | Y | 46.4 | Very low | 39.3 | Very low | 247 Ų | 247 | 113.9 Ų | 113.9 | 97% | 0.969 | 57% | 0.566 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -55.3 | -20.8 | 177.6 | -97.7 | -86.2 | 0 | 0 | 0 | 113.8 | S1252 | Y1250-S1252 VanDerWaalsContact C-N 3.33Š|
| 1251 | D | 44.6 | Very low | 39.8 | Very low | 79 Ų | 79 | 111.2 Ų | 111.2 | 42% | 0.422 | 56% | 0.558 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -91.8 | 12.2 | 176.5 | 73.3 | -12.9 | 0 | 0 | 0 | 114 | R1249 S1253 | R1249-D1251 VanDerWaalsContact CB-OD1 3.25Å; R1249-D1251 WeakPolarHBondContact CB-OD1 3.39Å; R1249-D1251 PolarHBondContact O-N 2.8Å; D1251-S1253 VanDerWaalsContact CG-OG 3.3Å; D1251-S1253 PolarHBondContact O-N 3.45Å; D1251-S1253 VanDerWaalsContact OD1-CB 3.27Å; D1251-S1253 WeakPolarHBondContact OD1-CB 3.32Å; D1251-S1253 PolarHBondContact OD1-N 2.97Å; D1251-S1253 PolarHBondContact OD1-OG 3.06Å; D1251-S1253 PolarHBondContact OD2-OG 3.47Å |
| 1252 | S | 46 | Very low | 40.8 | Very low | 103 Ų | 103 | 110 Ų | 110 | 72% | 0.72 | 56% | 0.561 | S | S | * | * | S | Bend | trans | 64.7 | 12.5 | -178.1 | -41.3 | 0 | 0 | 0 | 0 | 114.5 | R1249 Y1250 | R1249-S1252 PolarHBondContact O-N 3.15Å; Y1250-S1252 VanDerWaalsContact C-N 3.33Å |
| 1253 | S | 37 | Very low | 41 | Very low | 42 Ų | 42 | 108.3 Ų | 108.3 | 29% | 0.294 | 55% | 0.547 | S | S | . | . | trans | -85.6 | 144.2 | 172.7 | 72.4 | 0 | 0 | 0 | 0 | 111.9 | R1249 D1251 | R1249-S1253 PolarHBondContact N-O 2.97Å; D1251-S1253 VanDerWaalsContact CG-OG 3.3Å; D1251-S1253 PolarHBondContact O-N 3.45Å; D1251-S1253 VanDerWaalsContact OD1-CB 3.27Å; D1251-S1253 WeakPolarHBondContact OD1-CB 3.32Å; D1251-S1253 PolarHBondContact OD1-N 2.97Å; D1251-S1253 PolarHBondContact OD1-OG 3.06Å; D1251-S1253 PolarHBondContact OD2-OG 3.47Å | ||
| 1254 | Y | 44 | Very low | 41.4 | Very low | 74 Ų | 74 | 112.7 Ų | 112.7 | 29% | 0.29 | 57% | 0.565 | S | S | . | * | B | Isolated β-bridge | trans | -93.6 | 131.8 | -173.7 | -171.4 | -102.8 | 0 | 0 | 0 | 111.5 | C1247 Y1256 C1259 | C1247-Y1254 HydrophobicContact CB-CE2 4.46Å; Y1254-Y1256 AromaticContact CD1-CD1 3.78Å; Y1254-Y1256 HydrophobicContact CD1-CD1 3.78Å; Y1254-Y1256 HydrophobicContact CD1-CD2 4.42Å; Y1254-Y1256 AromaticContact CD1-CE1 3.78Å; Y1254-Y1256 HydrophobicContact CD1-CE1 3.78Å; Y1254-Y1256 HydrophobicContact CD1-CE2 4.42Å; Y1254-Y1256 HydrophobicContact CD1-CG 4.1Å; Y1254-Y1256 HydrophobicContact CE1-CD1 4.25Å; Y1254-Y1256 HydrophobicContact CE1-CE1 4.45Å; Y1254-Y1256 WeakPolarHBondContact O-CD2 3.45Å; Y1254-Y1256 WeakPolarHBondContact O-CE2 3.49Å; Y1254-Y1256 PolarHBondContact O-N 3.35Å; Y1254-Y1256 VanDerWaalsContact O-N 3.08Å; Y1254-C1259 HydrophobicContact CE1-CB 4.19Å; Y1254-C1259 WeakPolarHBondContact CE1-O 3.44Å; Y1254-C1259 HydrophobicContact CE2-CB 4.32Å; Y1254-C1259 WeakPolarHBondContact OH-CB 3.35Å; Y1254-C1259 PolarHBondContact OH-O 3.49Å |
| 1255 | N | 48.3 | Very low | 41.6 | Very low | 30 Ų | 30 | 111.1 Ų | 111.1 | 16% | 0.16 | 56% | 0.563 | C | S | . | * | trans | -81 | 83.4 | 179.4 | -173.5 | 2.1 | 0 | 0 | 0 | 112.1 | K1257 E1258 C1259 | N1255-K1257 PolarHBondContact O-N 2.89Å; N1255-K1257 VanDerWaalsContact O-N 3.16Å; N1255-K1257 PolarHBondContact OD1-N 2.91Å; N1255-E1258 PolarHBondContact ND2-OE2 2.87Å; N1255-E1258 PolarHBondContact O-N 2.03Å; N1255-C1259 PolarHBondContact O-N 3.19Å | ||
| 1256 | Y | 45.2 | Very low | 41.1 | Very low | 164 Ų | 164 | 107.7 Ų | 107.7 | 64% | 0.643 | 55% | 0.553 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -61.4 | -19.9 | -178.6 | -64 | -82.8 | 0 | 0 | 0 | 115.5 | Y1254 | Y1254-Y1256 AromaticContact CD1-CD1 3.78Å; Y1254-Y1256 HydrophobicContact CD1-CD1 3.78Å; Y1254-Y1256 HydrophobicContact CD1-CD2 4.42Å; Y1254-Y1256 AromaticContact CD1-CE1 3.78Å; Y1254-Y1256 HydrophobicContact CD1-CE1 3.78Å; Y1254-Y1256 HydrophobicContact CD1-CE2 4.42Å; Y1254-Y1256 HydrophobicContact CD1-CG 4.1Å; Y1254-Y1256 HydrophobicContact CE1-CD1 4.25Å; Y1254-Y1256 HydrophobicContact CE1-CE1 4.45Å; Y1254-Y1256 WeakPolarHBondContact O-CD2 3.45Å; Y1254-Y1256 WeakPolarHBondContact O-CE2 3.49Å; Y1254-Y1256 PolarHBondContact O-N 3.35Å; Y1254-Y1256 VanDerWaalsContact O-N 3.08Å |
| 1257 | K | 43.1 | Very low | 40.4 | Very low | 182 Ų | 182 | 107.3 Ų | 107.3 | 79% | 0.791 | 55% | 0.554 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -80.1 | -27.5 | -178.4 | -89.1 | -173.3 | 175.1 | -178 | 0 | 113.3 | N1255 | N1255-K1257 PolarHBondContact O-N 2.89Å; N1255-K1257 VanDerWaalsContact O-N 3.16Å; N1255-K1257 PolarHBondContact OD1-N 2.91Å |
| 1258 | E | 42.2 | Very low | 39.7 | Very low | 164 Ų | 164 | 112.4 Ų | 112.4 | 77% | 0.766 | 58% | 0.579 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -112.5 | -21.8 | -179.3 | -70.2 | 178.3 | 159.1 | 0 | 0 | 113.1 | N1255 | N1255-E1258 PolarHBondContact ND2-OE2 2.87Å; N1255-E1258 PolarHBondContact O-N 2.03Å |
| 1259 | C | 41 | Very low | 39 | Very low | 21 Ų | 21 | 114.7 Ų | 114.7 | 14% | 0.142 | 59% | 0.587 | C | S | . | * | trans | -123.1 | 106.8 | -179.3 | -45.6 | 0 | 0 | 0 | 0 | 109.6 | C1247 Y1254 N1255 | C1247-C1259 HydrophobicContact CB-CB 4.18Å; C1247-C1259 WeakPolarHBondContact CB-SG 3.34Å; C1247-C1259 WeakPolarHBondContact SG-CB 3.1Å; C1247-C1259 CovalentContact SG-SG 2.1Å; C1247-C1259 PolarHBondContact SG-SG 2.83Å; Y1254-C1259 HydrophobicContact CE1-CB 4.19Å; Y1254-C1259 WeakPolarHBondContact CE1-O 3.44Å; Y1254-C1259 HydrophobicContact CE2-CB 4.32Å; Y1254-C1259 WeakPolarHBondContact OH-CB 3.35Å; Y1254-C1259 PolarHBondContact OH-O 3.49Å; N1255-C1259 PolarHBondContact O-N 3.19Å | ||
| 1260 | Q | 37.7 | Very low | 38.1 | Very low | 174 Ų | 174 | 113.9 Ų | 113.9 | 81% | 0.813 | 60% | 0.597 | S | S | * | * | trans | -88.9 | 147.2 | 171.5 | -81.5 | -174.2 | -25.5 | 0 | 0 | 111.4 | ||||
| 1261 | P | 34.3 | Very low | 37.1 | Very low | 89 Ų | 89 | 109.8 Ų | 109.8 | 58% | 0.578 | 59% | 0.591 | S | S | * | * | trans | -67.3 | 146.8 | -176.3 | 25.9 | -32.7 | 0 | 0 | 0 | 113.1 | ||||
| 1262 | A | 45.1 | Very low | 36.1 | Very low | 91 Ų | 91 | 111 Ų | 111 | 75% | 0.752 | 60% | 0.597 | S | S | * | * | S | Bend | trans | -96.9 | 5.8 | -164 | 0 | 0 | 0 | 0 | 0 | 116.2 | ||
| 1263 | D | 33.5 | Very low | 34.9 | Very low | 78 Ų | 78 | 111.7 Ų | 111.7 | 42% | 0.417 | 60% | 0.596 | S | S | . | * | S | Bend | trans | -142.8 | 163.8 | 161.9 | 77.9 | 22 | 0 | 0 | 0 | 112.9 | D1265 G1266 | D1263-D1265 PolarHBondContact O-N 2.77Å; D1263-D1265 WeakPolarHBondContact OD1-CA 3.31Å; D1263-D1265 PolarHBondContact OD1-N 2.9Å; D1263-G1266 PolarHBondContact OD1-N 2.79Å |
| 1264 | L | 37.4 | Very low | 34.6 | Very low | 182 Ų | 182 | 118.3 Ų | 118.3 | 95% | 0.953 | 62% | 0.62 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -72.9 | -9.2 | -178.7 | -80.7 | 153.8 | 0 | 0 | 0 | 113.3 | ||
| 1265 | D | 37 | Very low | 33.7 | Very low | 101 Ų | 101 | 119.9 Ų | 119.9 | 54% | 0.54 | 64% | 0.642 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -100.7 | -5.6 | -176 | -62.8 | -42.6 | 0 | 0 | 0 | 112.6 | K729 D1263 I1267 | K729-D1265 IonicContact NZ-OD1 3.74Å; D1263-D1265 PolarHBondContact O-N 2.77Å; D1263-D1265 WeakPolarHBondContact OD1-CA 3.31Å; D1263-D1265 PolarHBondContact OD1-N 2.9Å; D1265-I1267 PolarHBondContact O-N 2.91Å |
| 1266 | G | 31.1 | Very low | 32.6 | Very low | 56 Ų | 56 | 125.8 Ų | 125.8 | 58% | 0.577 | 67% | 0.673 | S | S | * | * | trans | 71.5 | 16.6 | 159.8 | 0 | 0 | 0 | 0 | 0 | 116.8 | D1263 | D1263-G1266 PolarHBondContact OD1-N 2.79Š| ||
| 1267 | I | 28.5 | Very low | 31.6 | Very low | 140 Ų | 140 | 124.9 Ų | 124.9 | 72% | 0.718 | 68% | 0.68 | S | S | * | * | trans | -90.2 | 115.4 | -178.2 | -56.7 | -179.8 | 0 | 0 | 0 | 111 | D1265 | D1265-I1267 PolarHBondContact O-N 2.91Š| ||
| 1268 | I | 26.6 | Very low | 30.9 | Very low | 123 Ų | 123 | 121.6 Ų | 121.6 | 63% | 0.631 | 68% | 0.677 | S | S | * | * | trans | -91.3 | 124.1 | 173.3 | -60.1 | 173.3 | 0 | 0 | 0 | 109.2 | P1270 | I1268-P1270 WeakPolarHBondContact O-CD 3.36Š| ||
| 1269 | Q | 27 | Very low | 30 | Very low | 151 Ų | 151 | 121.2 Ų | 121.2 | 71% | 0.706 | 68% | 0.68 | S | S | * | * | trans | -98.6 | 112.9 | 174.2 | -136.1 | 176.7 | 8.2 | 0 | 0 | 109.6 | ||||
| 1270 | P | 24.8 | Very low | 29.2 | Very low | 100 Ų | 100 | 125.9 Ų | 125.9 | 65% | 0.649 | 71% | 0.707 | S | S | * | * | trans | -76.2 | 131 | 175.7 | 27.4 | -30.2 | 0 | 0 | 0 | 111.3 | I1268 I1272 | I1268-P1270 WeakPolarHBondContact O-CD 3.36Å; P1270-I1272 PolarHBondContact O-N 2.83Å | ||
| 1271 | L | 23.9 | Very low | 28.4 | Very low | 161 Ų | 161 | 126.7 Ų | 126.7 | 84% | 0.843 | 71% | 0.714 | S | S | * | * | trans | -77.9 | 100.1 | 171.5 | -162.5 | 96.9 | 0 | 0 | 0 | 108.9 | T1273 | L1271-T1273 HydrophobicContact CD2-CG2 4.03Š| ||
| 1272 | I | 24.8 | Very low | 27.8 | Very low | 106 Ų | 106 | 133.6 Ų | 133.6 | 54% | 0.544 | 73% | 0.728 | S | S | . | * | trans | -97.1 | 106.1 | 167.7 | -58.3 | 175.2 | 0 | 0 | 0 | 107.7 | P1270 F1274 | P1270-I1272 PolarHBondContact O-N 2.83Å; I1272-F1274 HydrophobicContact CG2-CE1 4.49Å; I1272-F1274 HydrophobicContact CG2-CE2 4.24Å; I1272-F1274 HydrophobicContact CG2-CZ 4.18Å | ||
| 1273 | T | 21.6 | Very low | 26.7 | Very low | 116 Ų | 116 | 134 Ų | 134 | 71% | 0.712 | 73% | 0.732 | S | S | * | * | P | Polyproline II helix | trans | -83.1 | 116.4 | 168 | 44.9 | 0 | 0 | 0 | 0 | 109.4 | L1271 S1275 | L1271-T1273 HydrophobicContact CD2-CG2 4.03Å; T1273-S1275 PolarHBondContact O-N 3.21Å |
| 1274 | F | 29.1 | Very low | 26.3 | Very low | 182 Ų | 182 | 134.9 Ų | 134.9 | 80% | 0.798 | 75% | 0.749 | S | S | * | * | P | Polyproline II helix | trans | -76.5 | 117.2 | 169.5 | -66.8 | -84.5 | 0 | 0 | 0 | 108.8 | I1272 D1276 | I1272-F1274 HydrophobicContact CG2-CE1 4.49Å; I1272-F1274 HydrophobicContact CG2-CE2 4.24Å; I1272-F1274 HydrophobicContact CG2-CZ 4.18Å; F1274-D1276 PolarHBondContact O-N 3.28Å |
| 1275 | S | 25.9 | Very low | 25.6 | Very low | 106 Ų | 106 | 133.8 Ų | 133.8 | 74% | 0.741 | 75% | 0.745 | S | S | * | * | P | Polyproline II helix | trans | -72.9 | 117.8 | 169.2 | 59.7 | 0 | 0 | 0 | 0 | 108.9 | T1273 N1277 | T1273-S1275 PolarHBondContact O-N 3.21Å; S1275-N1277 PolarHBondContact O-N 3.15Å |
| 1276 | D | 24 | Very low | 25 | Very low | 155 Ų | 155 | 138.3 Ų | 138.3 | 83% | 0.829 | 76% | 0.759 | S | S | * | * | trans | -57.4 | 105.2 | 166.9 | -68.7 | -43.6 | 0 | 0 | 0 | 109.7 | F1274 P1278 | F1274-D1276 PolarHBondContact O-N 3.28Å; D1276-P1278 WeakPolarHBondContact O-CD 3.27Å | ||
| 1277 | N | 24.3 | Very low | 24.6 | Very low | 144 Ų | 144 | 143.1 Ų | 143.1 | 77% | 0.77 | 77% | 0.772 | S | S | * | * | trans | -112 | 94.9 | 161.7 | -114.9 | -4.5 | 0 | 0 | 0 | 108.6 | S1275 L1279 | S1275-N1277 PolarHBondContact O-N 3.15Å; N1277-L1279 PolarHBondContact O-N 3.03Å | ||
| 1278 | P | 29.9 | Very low | 24.3 | Very low | 114 Ų | 114 | 144.6 Ų | 144.6 | 74% | 0.74 | 78% | 0.776 | S | S | * | * | trans | -83.6 | 93.5 | 175.1 | 33.3 | -28.8 | 0 | 0 | 0 | 108.5 | D1276 | D1276-P1278 WeakPolarHBondContact O-CD 3.27Š| ||
| 1279 | L | 22.7 | Very low | 24.1 | Very low | 156 Ų | 156 | 146.4 Ų | 146.4 | 82% | 0.817 | 79% | 0.786 | S | S | * | * | trans | -111.8 | 93.7 | 160.4 | -80.4 | 167.8 | 0 | 0 | 0 | 109.2 | N1277 | N1277-L1279 PolarHBondContact O-N 3.03Š| ||
| 1280 | T | 23.3 | Very low | 24 | Very low | 118 Ų | 118 | 147.5 Ų | 147.5 | 72% | 0.724 | 79% | 0.791 | S | S | * | * | trans | -20.6 | 124.1 | 158.1 | 45.3 | 0 | 0 | 0 | 0 | 116.2 | ||||
| 1281 | M | 22.6 | Very low | 23.8 | Very low | 192 Ų | 192 | 150.9 Ų | 150.9 | 95% | 0.946 | 80% | 0.798 | S | S | * | * | trans | -135.1 | 102 | 134.9 | -73.5 | -167.2 | 77.3 | 0 | 0 | 109.2 | ||||
| 1282 | R | 21.1 | Very low | 23.8 | Very low | 234 Ų | 234 | 146 Ų | 146 | 88% | 0.883 | 79% | 0.786 | S | S | * | * | trans | -66.7 | 135.3 | 162.3 | -89.4 | 179.9 | 173.6 | 127.5 | -1.1 | 109 | ||||
| 1283 | A | 22.3 | Very low | 23.5 | Very low | 100 Ų | 100 | 153 Ų | 153 | 83% | 0.826 | 81% | 0.806 | S | S | * | * | trans | 56.4 | 111.3 | 143.9 | 0 | 0 | 0 | 0 | 0 | 118.6 | ||||
| 1284 | A | 23.8 | Very low | 23.6 | Very low | 95 Ų | 95 | 154.8 Ų | 154.8 | 79% | 0.785 | 81% | 0.812 | S | S | * | * | -147.2 | 105.6 | 125.7 | 0 | 0 | 0 | 0 | 0 | 109.2 | K1286 | A1284-K1286 PolarHBondContact O-N 2.93Š| |||
| 1285 | D | 22.5 | Very low | 23.3 | Very low | 160 Ų | 160 | 150.8 Ų | 150.8 | 86% | 0.856 | 81% | 0.812 | S | S | * | * | trans | -44.1 | 118.2 | 148.1 | -82.9 | -46.8 | 0 | 0 | 0 | 109 | ||||
| 1286 | K | 24.6 | Very low | 23.2 | Very low | 195 Ų | 195 | 153 Ų | 153 | 85% | 0.848 | 82% | 0.816 | S | S | * | * | trans | -139 | 112.9 | 146.6 | -82.9 | -165.3 | 176.7 | 178.6 | 0 | 108.8 | A1284 E1288 | A1284-K1286 PolarHBondContact O-N 2.93Å; K1286-E1288 PolarHBondContact O-N 3.21Å; K1286-E1288 VanDerWaalsContact O-N 3.17Å | ||
| 1287 | N | 22.7 | Very low | 23.1 | Very low | 158 Ų | 158 | 155.3 Ų | 155.3 | 85% | 0.845 | 82% | 0.821 | S | S | * | * | trans | -49.8 | 109.8 | 164.3 | -66.4 | -39.6 | 0 | 0 | 0 | 110 | ||||
| 1288 | E | 22.7 | Very low | 23.1 | Very low | 171 Ų | 171 | 153.4 Ų | 153.4 | 80% | 0.799 | 82% | 0.819 | S | S | * | * | trans | -111 | 105.4 | 150.5 | -85.7 | -174 | 170.7 | 0 | 0 | 107.6 | K1286 Q1290 | K1286-E1288 PolarHBondContact O-N 3.21Å; K1286-E1288 VanDerWaalsContact O-N 3.17Å; E1288-Q1290 VanDerWaalsContact C-N 3.28Å; E1288-Q1290 PolarHBondContact O-N 2.78Å | ||
| 1289 | L | 22.1 | Very low | 22.8 | Very low | 161 Ų | 161 | 155 Ų | 155 | 84% | 0.843 | 82% | 0.821 | S | S | * | * | trans | -71.3 | 83.4 | 175.6 | -142.8 | 115 | 0 | 0 | 0 | 107.4 | Q1291 | L1289-Q1291 PolarHBondContact O-N 2.94Š| ||
| 1290 | Q | 24.2 | Very low | 22.8 | Very low | 173 Ų | 173 | 154.6 Ų | 154.6 | 81% | 0.808 | 82% | 0.82 | S | S | * | * | trans | -75.6 | 110.7 | 170.7 | -76.4 | -170.8 | -13.4 | 0 | 0 | 109.2 | E1288 G1292 | E1288-Q1290 VanDerWaalsContact C-N 3.28Å; E1288-Q1290 PolarHBondContact O-N 2.78Å; Q1290-G1292 PolarHBondContact O-N 2.75Å | ||
| 1291 | Q | 21.9 | Very low | 22.7 | Very low | 172 Ų | 172 | 156.7 Ų | 156.7 | 80% | 0.804 | 83% | 0.827 | S | S | * | * | trans | -63.1 | 88 | 176.6 | -68.6 | 172.8 | -18.2 | 0 | 0 | 110.7 | L1289 | L1289-Q1291 PolarHBondContact O-N 2.94Š| ||
| 1292 | G | 22.7 | Very low | 22.8 | Very low | 58 Ų | 58 | 154.7 Ų | 154.7 | 60% | 0.598 | 82% | 0.82 | S | S | * | * | trans | -81.2 | 119.8 | 160.7 | 0 | 0 | 0 | 0 | 0 | 109.2 | Q1290 N1294 | Q1290-G1292 PolarHBondContact O-N 2.75Å; G1292-N1294 PolarHBondContact O-N 2.78Å | ||
| 1293 | W | 19.9 | Very low | 22.9 | Very low | 252 Ų | 252 | 155 Ų | 155 | 96% | 0.955 | 82% | 0.821 | S | S | * | * | trans | -58.5 | 106.3 | -178.3 | -77.1 | 59.4 | 0 | 0 | 0 | 111.4 | ||||
| 1294 | N | 23.2 | Very low | 22.8 | Very low | 155 Ų | 155 | 159 Ų | 159 | 83% | 0.829 | 82% | 0.823 | S | S | * | * | trans | -86.2 | 107.2 | 167.9 | -74.4 | -32.9 | 0 | 0 | 0 | 108.6 | G1292 D1296 | G1292-N1294 PolarHBondContact O-N 2.78Å; N1294-D1296 PolarHBondContact O-N 3.1Å | ||
| 1295 | A | 22.1 | Very low | 22.6 | Very low | 97 Ų | 97 | 159.6 Ų | 159.6 | 80% | 0.802 | 82% | 0.821 | S | S | * | * | S | Bend | trans | -73.2 | 79.5 | 165.8 | 0 | 0 | 0 | 0 | 0 | 108.9 | ||
| 1296 | D | 23.7 | Very low | 22.6 | Very low | 154 Ų | 154 | 157.1 Ų | 157.1 | 82% | 0.824 | 82% | 0.816 | S | S | * | * | trans | -170.1 | 64.2 | 160 | -92.5 | -24 | 0 | 0 | 0 | 109.1 | N1294 | N1294-D1296 PolarHBondContact O-N 3.1Š| ||
| 1297 | Q | 22.5 | Very low | 22.3 | Very low | 203 Ų | 203 | 152 Ų | 152 | 95% | 0.949 | 81% | 0.811 | S | S | * | * | trans | -138 | 68.7 | 154.7 | -76.5 | -150.4 | -11.4 | 0 | 0 | 110 | ||||
| 1298 | S | 23.5 | Very low | 22.2 | Very low | 104 Ų | 104 | 149.5 Ų | 149.5 | 73% | 0.727 | 81% | 0.806 | S | S | * | * | S | Bend | trans | -133.9 | 121.3 | 149.4 | 62.1 | 0 | 0 | 0 | 0 | 108 | ||
| 1299 | N | 24.1 | Very low | 22.1 | Very low | 146 Ų | 146 | 149.4 Ų | 149.4 | 78% | 0.781 | 81% | 0.81 | S | S | * | * | S | Bend | trans | 75.1 | 82.9 | 177.7 | -67.1 | -11.9 | 0 | 0 | 0 | 117.7 | ||
| 1300 | N | 23.5 | Very low | 21.9 | Very low | 149 Ų | 149 | 147.3 Ų | 147.3 | 80% | 0.797 | 81% | 0.809 | S | S | * | * | 177.6 | 87.8 | 96.2 | -87.5 | -24.5 | 0 | 0 | 0 | 111.2 | |||||
| 1301 | N | 20.5 | Very low | 21.6 | Very low | 162 Ų | 162 | 142.1 Ų | 142.1 | 87% | 0.866 | 80% | 0.803 | S | S | * | * | trans | -83.6 | 99.5 | 144.9 | -81.9 | -21.5 | 0 | 0 | 0 | 106.7 | ||||
| 1302 | N | 24.4 | Very low | 21.5 | Very low | 149 Ų | 149 | 143 Ų | 143 | 80% | 0.797 | 80% | 0.804 | S | S | * | * | trans | 175.3 | 134.4 | 137.9 | -88.2 | -25.8 | 0 | 0 | 0 | 111.1 | ||||
| 1303 | R | 23.4 | Very low | 21.3 | Very low | 241 Ų | 241 | 146.3 Ų | 146.3 | 91% | 0.909 | 81% | 0.807 | S | S | * | * | trans | 83.6 | 86.2 | 178.7 | -51.9 | 179.7 | -176.8 | 179.9 | 0.8 | 112.6 | ||||
| 1304 | Q | 20.5 | Very low | 21.3 | Very low | 184 Ų | 184 | 143 Ų | 143 | 86% | 0.86 | 80% | 0.802 | S | S | * | * | 46.8 | 118.6 | 61.6 | -84.6 | -173.1 | -7.3 | 0 | 0 | 115.3 | |||||
| 1305 | S | 20.7 | Very low | 21.1 | Very low | 108 Ų | 108 | 138.7 Ų | 138.7 | 76% | 0.755 | 80% | 0.795 | S | S | * | * | trans | 84.1 | 131.9 | 148 | 61.2 | 0 | 0 | 0 | 0 | 122.5 | ||||
| 1306 | S | 20.7 | Very low | 21 | Very low | 107 Ų | 107 | 144.7 Ų | 144.7 | 75% | 0.748 | 80% | 0.798 | S | S | * | * | trans | 69.3 | 109.8 | 147.4 | 48.7 | 0 | 0 | 0 | 0 | 118.1 | ||||
| 1307 | A | 20.1 | Very low | 20.7 | Very low | 88 Ų | 88 | 141.9 Ų | 141.9 | 73% | 0.727 | 79% | 0.791 | S | S | * | * | 79.5 | 117.5 | 77.8 | 0 | 0 | 0 | 0 | 0 | 112.4 | |||||
| 1308 | S | 19.4 | Very low | 20.6 | Very low | 106 Ų | 106 | 141.5 Ų | 141.5 | 74% | 0.741 | 79% | 0.786 | S | S | * | * | trans | 28.2 | 118.3 | 153.7 | 57.6 | 0 | 0 | 0 | 0 | 118.3 | ||||
| 1309 | D | 20.6 | Very low | 20.4 | Very low | 168 Ų | 168 | 145 Ų | 145 | 90% | 0.898 | 80% | 0.796 | S | S | * | * | trans | -151.7 | 124 | 130.4 | -100.2 | -26.5 | 0 | 0 | 0 | 112.2 | ||||
| 1310 | S | 17.8 | Very low | 20.2 | Very low | 117 Ų | 117 | 144.5 Ų | 144.5 | 82% | 0.818 | 79% | 0.793 | S | S | * | * | trans | -84 | 132 | 160.7 | 47.3 | 0 | 0 | 0 | 0 | 109.3 | ||||
| 1311 | G | 19.3 | Very low | 20 | Very low | 65 Ų | 65 | 146.8 Ų | 146.8 | 67% | 0.67 | 80% | 0.799 | S | S | * | * | trans | 152.6 | 134.8 | 171.6 | 0 | 0 | 0 | 0 | 0 | 109.1 | ||||
| 1312 | F | 19.1 | Very low | 20 | Very low | 190 Ų | 190 | 143.8 Ų | 143.8 | 83% | 0.833 | 79% | 0.791 | S | S | * | * | cis | -177.8 | 157.9 | 18 | -128.4 | -72.7 | 0 | 0 | 0 | 108.3 | ||||
| 1313 | L | 19.4 | Very low | 19.8 | Very low | 127 Ų | 127 | 142.7 Ų | 142.7 | 67% | 0.665 | 79% | 0.79 | S | S | * | * | trans | 61.4 | 114.6 | 156.3 | -75.8 | 128.2 | 0 | 0 | 0 | 118.7 | ||||
| 1314 | Q | 18.8 | Very low | 19.8 | Very low | 182 Ų | 182 | 137.3 Ų | 137.3 | 85% | 0.85 | 78% | 0.784 | S | S | * | * | 77.2 | 131.3 | 69.3 | -87.7 | -172 | -23 | 0 | 0 | 116 | |||||
| 1315 | G | 18.7 | Very low | 19.9 | Very low | 66 Ų | 66 | 136.6 Ų | 136.6 | 68% | 0.68 | 78% | 0.78 | S | S | * | * | trans | 100.2 | 117.8 | 163.9 | 0 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 1316 | Y | 19.6 | Very low | 19.9 | Very low | 222 Ų | 222 | 140.2 Ų | 140.2 | 87% | 0.871 | 79% | 0.785 | S | S | * | * | cis | -152.6 | 122.8 | 38.1 | -90.7 | -94 | 0 | 0 | 0 | 108.3 | ||||
| 1317 | S | 19.4 | Very low | 20.1 | Very low | 96 Ų | 96 | 142.5 Ų | 142.5 | 67% | 0.671 | 79% | 0.788 | S | S | * | * | 77.6 | 110.3 | 91.3 | 80.4 | 0 | 0 | 0 | 0 | 114.6 | L1319 | S1317-L1319 PolarHBondContact O-N 3.02Š| |||
| 1318 | K | 18.8 | Very low | 20.4 | Very low | 194 Ų | 194 | 147.7 Ų | 147.7 | 84% | 0.843 | 80% | 0.798 | S | S | * | * | trans | -8.1 | 118.2 | 148.9 | -67 | 173.3 | 174.6 | -179.2 | 0 | 114.1 | ||||
| 1319 | L | 20.5 | Very low | 20.6 | Very low | 178 Ų | 178 | 151.8 Ų | 151.8 | 93% | 0.932 | 81% | 0.807 | S | S | * | * | trans | -110.3 | 130.9 | 150.1 | -145.5 | 83.4 | 0 | 0 | 0 | 107.6 | S1317 | S1317-L1319 PolarHBondContact O-N 3.02Š| ||
| 1320 | D | 19.6 | Very low | 20.8 | Very low | 135 Ų | 135 | 152.1 Ų | 152.1 | 72% | 0.722 | 80% | 0.804 | S | S | * | * | trans | -68.5 | 157 | -162.4 | -75.9 | -54.1 | 0 | 0 | 0 | 115.1 | S1322 | D1320-S1322 PolarHBondContact O-N 3.1Š| ||
| 1321 | Q | 19.3 | Very low | 21.4 | Very low | 197 Ų | 197 | 151.4 Ų | 151.4 | 92% | 0.921 | 80% | 0.796 | S | S | * | * | trans | -51.5 | 101.4 | 160.4 | -66 | 168.2 | -30.2 | 0 | 0 | 110.1 | ||||
| 1322 | S | 20.9 | Very low | 21.8 | Very low | 99 Ų | 99 | 155.1 Ų | 155.1 | 69% | 0.692 | 80% | 0.799 | S | S | * | * | trans | -101.7 | 99.4 | 161.3 | 61.3 | 0 | 0 | 0 | 0 | 109.1 | D1320 V1324 | D1320-S1322 PolarHBondContact O-N 3.1Å; S1322-V1324 PolarHBondContact O-N 3.04Å; S1322-V1324 VanDerWaalsContact O-N 3.14Å | ||
| 1323 | T | 20.5 | Very low | 22.1 | Very low | 126 Ų | 126 | 152.2 Ų | 152.2 | 77% | 0.773 | 79% | 0.791 | S | S | * | * | trans | -48.4 | 106.9 | 154.4 | 41.4 | 0 | 0 | 0 | 0 | 109.6 | ||||
| 1324 | V | 22.1 | Very low | 22.5 | Very low | 129 Ų | 129 | 150.8 Ų | 150.8 | 78% | 0.782 | 79% | 0.788 | S | S | * | * | trans | -94.7 | 113.9 | 166.5 | 177.5 | 0 | 0 | 0 | 0 | 107 | S1322 | S1322-V1324 PolarHBondContact O-N 3.04Å; S1322-V1324 VanDerWaalsContact O-N 3.14Å | ||
| 1325 | H | 21.8 | Very low | 22.9 | Very low | 168 Ų | 168 | 147.8 Ų | 147.8 | 78% | 0.778 | 78% | 0.778 | S | S | * | * | trans | -55.9 | 134.8 | 176.4 | -87.3 | -89.6 | 0 | 0 | 0 | 111.2 | D1327 | H1325-D1327 PolarHBondContact O-N 2.91Å; H1325-D1327 VanDerWaalsContact O-N 3.13Å | ||
| 1326 | Q | 22.1 | Very low | 23 | Very low | 185 Ų | 185 | 155.2 Ų | 155.2 | 86% | 0.864 | 79% | 0.785 | S | S | * | * | S | Bend | trans | -58.7 | 105.6 | 157.7 | -68.5 | 171.3 | -47 | 0 | 0 | 107.4 | ||
| 1327 | D | 25.4 | Very low | 23.3 | Very low | 154 Ų | 154 | 150.4 Ų | 150.4 | 82% | 0.824 | 77% | 0.774 | S | S | * | * | trans | 170.7 | 73.1 | 152.8 | -83.3 | -22.3 | 0 | 0 | 0 | 107.7 | H1325 | H1325-D1327 PolarHBondContact O-N 2.91Å; H1325-D1327 VanDerWaalsContact O-N 3.13Å | ||
| 1328 | E | 25.6 | Very low | 23.6 | Very low | 198 Ų | 198 | 151 Ų | 151 | 93% | 0.925 | 77% | 0.769 | S | S | * | * | trans | -178.9 | 58.8 | 158.1 | -101.9 | 169.9 | -152.5 | 0 | 0 | 110.3 | ||||
| 1329 | M | 24.4 | Very low | 23.8 | Very low | 191 Ų | 191 | 148.9 Ų | 148.9 | 94% | 0.941 | 76% | 0.76 | S | S | * | * | trans | -143.5 | 45.2 | 166.3 | -104.7 | -170.3 | 172.6 | 0 | 0 | 111.3 | ||||
| 1330 | E | 23.9 | Very low | 24 | Very low | 176 Ų | 176 | 144 Ų | 144 | 82% | 0.822 | 74% | 0.741 | S | S | * | * | trans | -128.2 | 103 | 157.1 | -81 | -168.1 | 147.6 | 0 | 0 | 106.6 | ||||
| 1331 | P | 31.3 | Very low | 24.4 | Very low | 102 Ų | 102 | 140.6 Ų | 140.6 | 66% | 0.662 | 73% | 0.728 | S | S | * | * | S | Bend | -154.8 | 60.5 | 94.8 | 38.7 | -17.3 | 0 | 0 | 0 | 114.3 | |||
| 1332 | I | 26.3 | Very low | 24.7 | Very low | 143 Ų | 143 | 138.7 Ų | 138.7 | 73% | 0.733 | 72% | 0.717 | S | S | * | * | S | Bend | trans | -108.1 | -19.6 | 170.3 | -61.1 | 179 | 0 | 0 | 0 | 112.5 | ||
| 1333 | I | 26.3 | Very low | 24.8 | Very low | 129 Ų | 129 | 138.4 Ų | 138.4 | 66% | 0.662 | 71% | 0.707 | S | S | * | * | H | α-helix | trans | -80 | -22.9 | -177.6 | -61.1 | 177.9 | 0 | 0 | 0 | 113 | N1335 | I1333-N1335 PolarHBondContact O-N 2.84Å |
| 1334 | T | 28.1 | Very low | 25.2 | Very low | 96 Ų | 96 | 136.8 Ų | 136.8 | 59% | 0.589 | 70% | 0.7 | S | S | * | * | H | α-helix | trans | -77.8 | -16.1 | -179.5 | 13.6 | 0 | 0 | 0 | 0 | 114.9 | ||
| 1335 | N | 25.6 | Very low | 25.4 | Very low | 120 Ų | 120 | 137.9 Ų | 137.9 | 64% | 0.642 | 70% | 0.697 | S | S | * | * | H | α-helix | trans | -88.8 | -18 | 177.5 | -85.5 | -16.2 | 0 | 0 | 0 | 114.1 | I1333 | I1333-N1335 PolarHBondContact O-N 2.84Å |
| 1336 | W | 22.3 | Very low | 25.6 | Very low | 222 Ų | 222 | 137.3 Ų | 137.3 | 84% | 0.841 | 69% | 0.692 | S | S | * | * | H | α-helix | trans | -77.1 | -36.1 | 176 | -111.4 | 74.8 | 0 | 0 | 0 | 112.6 | N1338 F1339 S1340 | W1336-N1338 PolarHBondContact O-N 2.87Å; W1336-F1339 PolarHBondContact O-N 2.78Å; W1336-S1340 PolarHBondContact O-N 2.74Å |
| 1337 | L | 25.2 | Very low | 25.8 | Very low | 120 Ų | 120 | 135.4 Ų | 135.4 | 63% | 0.628 | 68% | 0.683 | S | S | * | * | H | α-helix | trans | -69.8 | -27.7 | 179.4 | -82.2 | 154.4 | 0 | 0 | 0 | 113.7 | S1340 | L1337-S1340 PolarHBondContact O-OG 2.72Å |
| 1338 | N | 24.9 | Very low | 26 | Very low | 109 Ų | 109 | 137 Ų | 137 | 58% | 0.583 | 68% | 0.682 | S | S | * | * | H | α-helix | trans | -86.4 | -11.2 | 176.2 | -78.1 | -25.7 | 0 | 0 | 0 | 113.8 | W1336 S1341 | W1336-N1338 PolarHBondContact O-N 2.87Å; N1338-S1341 PolarHBondContact O-OG 3.05Å |
| 1339 | F | 23.6 | Very low | 26.1 | Very low | 149 Ų | 149 | 135 Ų | 135 | 65% | 0.654 | 67% | 0.673 | S | S | * | * | H | α-helix | trans | -87.7 | -31.8 | 177.8 | -134.2 | -92.2 | 0 | 0 | 0 | 111.9 | W1336 I1343 | W1336-F1339 PolarHBondContact O-N 2.78Å; F1339-I1343 HydrophobicContact CD1-CD1 4.42Å |
| 1340 | S | 25.2 | Very low | 26.1 | Very low | 75 Ų | 75 | 131.7 Ų | 131.7 | 52% | 0.524 | 66% | 0.658 | S | S | . | * | H | α-helix | trans | -71.3 | -32.9 | 175.5 | 72 | 0 | 0 | 0 | 0 | 113 | W1336 L1337 K1342 I1343 S1344 | W1336-S1340 PolarHBondContact O-N 2.74Å; L1337-S1340 PolarHBondContact O-OG 2.72Å; S1340-K1342 VanDerWaalsContact C-N 3.29Å; S1340-K1342 PolarHBondContact O-N 2.97Å; S1340-I1343 PolarHBondContact O-N 2.95Å; S1340-S1344 PolarHBondContact O-N 2.74Å |
| 1341 | S | 27.4 | Very low | 26.3 | Very low | 65 Ų | 65 | 129.2 Ų | 129.2 | 46% | 0.455 | 66% | 0.655 | S | S | . | * | H | α-helix | trans | -69 | -25.6 | 177.7 | 73.3 | 0 | 0 | 0 | 0 | 113.4 | N1338 | N1338-S1341 PolarHBondContact O-OG 3.05Å |
| 1342 | K | 25 | Very low | 26 | Very low | 156 Ų | 156 | 130.1 Ų | 130.1 | 68% | 0.678 | 66% | 0.661 | S | S | * | * | H | α-helix | trans | -82.3 | -21.7 | 177.6 | -85.4 | -178.1 | 176.2 | 176.8 | 0 | 114.4 | S1340 | S1340-K1342 VanDerWaalsContact C-N 3.29Å; S1340-K1342 PolarHBondContact O-N 2.97Å |
| 1343 | I | 24.8 | Very low | 25.9 | Very low | 94 Ų | 94 | 127.4 Ų | 127.4 | 48% | 0.482 | 66% | 0.66 | S | S | . | * | H | α-helix | trans | -81.4 | -34.9 | 176.7 | -64.8 | 172.8 | 0 | 0 | 0 | 110.5 | F1339 S1340 Q1345 K1346 | F1339-I1343 HydrophobicContact CD1-CD1 4.42Å; S1340-I1343 PolarHBondContact O-N 2.95Å; I1343-Q1345 PolarHBondContact O-N 3Å; I1343-K1346 PolarHBondContact O-N 3.42Å |
| 1344 | S | 27.8 | Very low | 25.8 | Very low | 91 Ų | 91 | 129.5 Ų | 129.5 | 64% | 0.636 | 67% | 0.672 | S | S | * | * | H | α-helix | trans | -67.6 | -30.1 | 179 | -170.1 | 0 | 0 | 0 | 0 | 113.8 | S1340 | S1340-S1344 PolarHBondContact O-N 2.74Å |
| 1345 | Q | 27.3 | Very low | 25.6 | Very low | 152 Ų | 152 | 132.5 Ų | 132.5 | 71% | 0.71 | 68% | 0.684 | S | S | * | * | H | α-helix | trans | -79.3 | -25.7 | 175.1 | -75.6 | -177.3 | -19.2 | 0 | 0 | 113.6 | I1343 | I1343-Q1345 PolarHBondContact O-N 3Å |
| 1346 | K | 25.1 | Very low | 25.6 | Very low | 156 Ų | 156 | 136.3 Ų | 136.3 | 68% | 0.678 | 70% | 0.695 | S | S | * | * | H | α-helix | trans | -81.8 | -19.6 | -175.2 | -129.1 | 179.6 | -177.4 | -175 | 0 | 114.1 | I1343 | I1343-K1346 PolarHBondContact O-N 3.42Å |
| 1347 | H | 27.1 | Very low | 25.5 | Very low | 146 Ų | 146 | 133.5 Ų | 133.5 | 68% | 0.676 | 70% | 0.695 | S | S | * | * | S | Bend | trans | -84.4 | -16.8 | 177.1 | -86.4 | -53 | 0 | 0 | 0 | 114.6 | ||
| 1348 | K | 27.9 | Very low | 25.3 | Very low | 186 Ų | 186 | 132 Ų | 132 | 81% | 0.809 | 70% | 0.695 | S | S | * | * | S | Bend | trans | -87.8 | -5.2 | 176.3 | -81.7 | -176.8 | 176.5 | 176.1 | 0 | 114.8 | ||
| 1349 | E | 27.7 | Very low | 25.1 | Very low | 157 Ų | 157 | 138.1 Ų | 138.1 | 73% | 0.734 | 71% | 0.711 | S | S | * | * | S | Bend | trans | -102.5 | -0.1 | 179.4 | -73.3 | -172 | 161.4 | 0 | 0 | 114.7 | ||
| 1350 | I | 25.8 | Very low | 25.1 | Very low | 121 Ų | 121 | 134.5 Ų | 134.5 | 62% | 0.621 | 72% | 0.716 | S | S | * | * | S | Bend | trans | -93.4 | -5.2 | -173.2 | -63.3 | 177.2 | 0 | 0 | 0 | 113.9 | ||
| 1351 | T | 27.3 | Very low | 24.8 | Very low | 125 Ų | 125 | 140.4 Ų | 140.4 | 77% | 0.767 | 73% | 0.732 | S | S | * | * | S | Bend | trans | -120.3 | 34.1 | -174.2 | 34.7 | 0 | 0 | 0 | 0 | 115.9 | ||
| 1352 | P | 24.8 | Very low | 24.7 | Very low | 120 Ų | 120 | 144.7 Ų | 144.7 | 78% | 0.779 | 75% | 0.75 | S | S | * | * | S | Bend | -147.4 | 80.4 | 127.7 | 35.4 | -16.6 | 0 | 0 | 0 | 112.1 | |||
| 1353 | A | 24.8 | Very low | 24.4 | Very low | 86 Ų | 86 | 144.9 Ų | 144.9 | 71% | 0.711 | 76% | 0.759 | S | S | * | * | trans | -121.8 | 10.1 | 172 | 0 | 0 | 0 | 0 | 0 | 114.3 | ||||
| 1354 | L | 24.1 | Very low | 24.4 | Very low | 174 Ų | 174 | 146 Ų | 146 | 91% | 0.911 | 77% | 0.772 | S | S | * | * | S | Bend | trans | -101.3 | -4.9 | 179.4 | -87.4 | 152.6 | 0 | 0 | 0 | 115.3 | ||
| 1355 | D | 24.9 | Very low | 24.1 | Very low | 158 Ų | 158 | 147.3 Ų | 147.3 | 85% | 0.845 | 78% | 0.776 | S | S | * | * | S | Bend | trans | -124.2 | 78.6 | 174.4 | -83.9 | -30.3 | 0 | 0 | 0 | 111.8 | ||
| 1356 | K | 24 | Very low | 24 | Very low | 201 Ų | 201 | 150.6 Ų | 150.6 | 87% | 0.874 | 79% | 0.788 | S | S | * | * | trans | 174.4 | 85.5 | 146.4 | -95.5 | 160.8 | -172.3 | 179.4 | 0 | 112.8 | ||||
| 1357 | I | 21.2 | Very low | 23.9 | Very low | 162 Ų | 162 | 149.6 Ų | 149.6 | 83% | 0.831 | 79% | 0.79 | S | S | * | * | trans | 4.8 | 120.2 | 132.9 | -63.4 | 172.6 | 0 | 0 | 0 | 117 | ||||
| 1358 | S | 20.1 | Very low | 23.7 | Very low | 90 Ų | 90 | 149.5 Ų | 149.5 | 63% | 0.629 | 80% | 0.795 | S | S | * | * | 72.5 | 134 | 127 | -153.8 | 0 | 0 | 0 | 0 | 123.5 | |||||
| 1359 | Y | 21.5 | Very low | 23.4 | Very low | 236 Ų | 236 | 148.3 Ų | 148.3 | 93% | 0.925 | 80% | 0.796 | S | S | * | * | trans | 56.2 | 122 | 160 | -78.6 | -70.5 | 0 | 0 | 0 | 121.8 | ||||
| 1360 | G | 22.8 | Very low | 23.3 | Very low | 74 Ų | 74 | 148.9 Ų | 148.9 | 76% | 0.763 | 80% | 0.803 | S | S | * | * | trans | 167.2 | 97.9 | 152.8 | 0 | 0 | 0 | 0 | 0 | 115.6 | ||||
| 1361 | K | 20.4 | Very low | 23 | Very low | 198 Ų | 198 | 154.2 Ų | 154.2 | 86% | 0.861 | 82% | 0.817 | S | S | * | * | trans | -51.4 | 135.1 | 161.9 | -79 | 171 | 170 | 173.5 | 0 | 111.1 | ||||
| 1362 | N | 23.7 | Very low | 22.8 | Very low | 156 Ų | 156 | 157.3 Ų | 157.3 | 83% | 0.834 | 82% | 0.82 | S | S | * | * | 178.8 | 123.1 | 125 | -87.9 | -17.1 | 0 | 0 | 0 | 111.7 | |||||
| 1363 | N | 19.5 | Very low | 22.7 | Very low | 160 Ų | 160 | 159.8 Ų | 159.8 | 86% | 0.856 | 82% | 0.818 | S | S | * | * | trans | -59 | 147 | 155.6 | -87.2 | -18.5 | 0 | 0 | 0 | 109.7 | ||||
| 1364 | P | 24.9 | Very low | 22.7 | Very low | 118 Ų | 118 | 161.2 Ų | 161.2 | 77% | 0.766 | 82% | 0.823 | S | S | * | * | -135 | 149.2 | 102.9 | 32.4 | -18.1 | 0 | 0 | 0 | 114.6 | |||||
| 1365 | T | 21.3 | Very low | 22.6 | Very low | 117 Ų | 117 | 161.8 Ų | 161.8 | 72% | 0.718 | 82% | 0.818 | S | S | * | * | trans | -36.1 | 136.9 | 164.3 | 46.3 | 0 | 0 | 0 | 0 | 117 | ||||
| 1366 | F | 25.1 | Very low | 22.4 | Very low | 221 Ų | 221 | 162 Ų | 162 | 97% | 0.969 | 82% | 0.819 | S | S | * | * | trans | -137.6 | 124.6 | 143.1 | -109 | -85.3 | 0 | 0 | 0 | 110 | ||||
| 1367 | D | 22.6 | Very low | 22.4 | Very low | 135 Ų | 135 | 157.2 Ų | 157.2 | 72% | 0.722 | 81% | 0.809 | S | S | * | * | trans | -79.5 | 151.9 | -170.9 | -93.7 | -49.1 | 0 | 0 | 0 | 115 | ||||
| 1368 | N | 22.6 | Very low | 22.4 | Very low | 145 Ų | 145 | 159 Ų | 159 | 78% | 0.775 | 81% | 0.811 | S | S | * | * | trans | -18.6 | 115.9 | 150.5 | -70 | -51.3 | 0 | 0 | 0 | 117.8 | ||||
| 1369 | I | 23.3 | Very low | 22.4 | Very low | 160 Ų | 160 | 160.6 Ų | 160.6 | 82% | 0.821 | 82% | 0.817 | S | S | * | * | trans | -146.8 | 90 | 139.4 | -53.6 | 179.7 | 0 | 0 | 0 | 109 | ||||
| 1370 | L | 24.3 | Very low | 22.3 | Very low | 169 Ų | 169 | 154 Ų | 154 | 89% | 0.885 | 81% | 0.805 | S | S | * | * | trans | -169.8 | 72 | 141.5 | -126.4 | 99.8 | 0 | 0 | 0 | 110.6 | ||||
| 1371 | Y | 20.6 | Very low | 22.3 | Very low | 233 Ų | 233 | 160.5 Ų | 160.5 | 91% | 0.914 | 81% | 0.813 | S | S | * | * | trans | -138 | 109 | 161 | -111.7 | -82.6 | 0 | 0 | 0 | 108.2 | ||||
| 1372 | K | 22.7 | Very low | 22.4 | Very low | 191 Ų | 191 | 156.4 Ų | 156.4 | 83% | 0.83 | 80% | 0.804 | S | S | * | * | trans | -163.8 | 118 | 153.1 | -112.2 | 169.6 | -173.8 | 172.3 | 0 | 111.8 | ||||
| 1373 | K | 22.8 | Very low | 22.3 | Very low | 172 Ų | 172 | 156 Ų | 156 | 75% | 0.748 | 80% | 0.797 | S | S | * | * | trans | 76.1 | 106.8 | 143.3 | -71.6 | 175.7 | 172.5 | -179.4 | 0 | 119.7 | ||||
| 1374 | S | 24.9 | Very low | 22.4 | Very low | 116 Ų | 116 | 158.2 Ų | 158.2 | 81% | 0.811 | 79% | 0.794 | S | S | * | * | -150.4 | 91.6 | 105.9 | 66.9 | 0 | 0 | 0 | 0 | 109.1 | |||||
| 1375 | K | 22.3 | Very low | 22.6 | Very low | 185 Ų | 185 | 160.2 Ų | 160.2 | 80% | 0.804 | 80% | 0.798 | S | S | * | * | 28 | 102.6 | 114 | -82.4 | -168.9 | 173.5 | -171.9 | 0 | 117.1 | |||||
| 1376 | N | 21.1 | Very low | 22.8 | Very low | 163 Ų | 163 | 163.6 Ų | 163.6 | 87% | 0.872 | 80% | 0.803 | S | S | * | * | trans | -69.2 | 142.4 | 147 | -76.2 | -18.6 | 0 | 0 | 0 | 111.3 | ||||
| 1377 | P | 23.1 | Very low | 22.9 | Very low | 101 Ų | 101 | 161.8 Ų | 161.8 | 66% | 0.656 | 79% | 0.794 | S | S | * | * | trans | -118.1 | 128.9 | 142.3 | 37.3 | -25.2 | 0 | 0 | 0 | 107.4 | ||||
| 1378 | F | 20.8 | Very low | 23.3 | Very low | 199 Ų | 199 | 164.4 Ų | 164.4 | 87% | 0.873 | 80% | 0.8 | S | S | * | * | -166.7 | 135 | 71.6 | -100.1 | -91.5 | 0 | 0 | 0 | 108.7 | |||||
| 1379 | T | 19.7 | Very low | 24.2 | Very low | 123 Ų | 123 | 162.1 Ų | 162.1 | 76% | 0.755 | 79% | 0.793 | S | S | * | * | trans | -86.8 | 161.2 | 168.8 | 44.2 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 1380 | S | 21 | Very low | 24.9 | Very low | 97 Ų | 97 | 163.4 Ų | 163.4 | 68% | 0.678 | 79% | 0.793 | S | S | * | * | trans | 71.6 | 108 | 157.3 | 69 | 0 | 0 | 0 | 0 | 118.8 | ||||
| 1381 | F | 22.9 | Very low | 25.7 | Very low | 211 Ų | 211 | 160.9 Ų | 160.9 | 93% | 0.925 | 78% | 0.78 | S | S | * | * | -149.1 | 125.1 | 118.4 | -109.6 | -82.2 | 0 | 0 | 0 | 110.9 | |||||
| 1382 | V | 22 | Very low | 27 | Very low | 112 Ų | 112 | 154.4 Ų | 154.4 | 68% | 0.679 | 76% | 0.76 | S | S | * | * | trans | -71.2 | 144.4 | 163.9 | 176 | 0 | 0 | 0 | 0 | 105.4 | ||||
| 1383 | E | 21.6 | Very low | 28.3 | Very low | 147 Ų | 147 | 150.5 Ų | 150.5 | 69% | 0.687 | 75% | 0.752 | S | S | * | * | 173.3 | 148.3 | 63 | -148.8 | 159.2 | -172.1 | 0 | 0 | 110 | |||||
| 1384 | R | 21.8 | Very low | 29.7 | Very low | 208 Ų | 208 | 148 Ų | 148 | 79% | 0.785 | 75% | 0.747 | S | S | * | * | trans | 18.5 | 130 | 147.2 | -59.9 | 172.3 | -178.5 | 175.5 | 1.7 | 121.2 | ||||
| 1385 | N | 29.1 | Very low | 31.4 | Very low | 160 Ų | 160 | 147.8 Ų | 147.8 | 86% | 0.856 | 74% | 0.735 | S | S | * | * | -174.2 | 100.9 | 122.7 | -88.5 | -24.7 | 0 | 0 | 0 | 109.2 | |||||
| 1386 | K | 24 | Very low | 33.5 | Very low | 187 Ų | 187 | 143.3 Ų | 143.3 | 81% | 0.813 | 72% | 0.719 | S | S | * | * | 47.3 | 113.4 | 91.3 | -87.1 | -171.1 | -178.9 | 178 | 0 | 117.3 | |||||
| 1387 | K | 26.9 | Very low | 35.7 | Very low | 183 Ų | 183 | 138.4 Ų | 138.4 | 80% | 0.796 | 70% | 0.701 | S | S | * | * | trans | 82.8 | 111.6 | 149 | -61.6 | -178.3 | 175.7 | -174.8 | 0 | 118.6 | ||||
| 1388 | F | 32.3 | Very low | 38.1 | Very low | 190 Ų | 190 | 138.1 Ų | 138.1 | 83% | 0.833 | 70% | 0.698 | S | S | * | * | -178.8 | 112.7 | 108.7 | -107.9 | -83.2 | 0 | 0 | 0 | 109.9 | F1390 | F1388-F1390 PolarHBondContact O-N 3.01Š| |||
| 1389 | P | 41.1 | Very low | 40.6 | Very low | 97 Ų | 97 | 131.1 Ų | 131.1 | 63% | 0.63 | 67% | 0.673 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -97.5 | 28 | -162.6 | 38.4 | -35.6 | 0 | 0 | 0 | 116.1 | ||
| 1390 | F | 37.7 | Very low | 43.4 | Very low | 188 Ų | 188 | 128.9 Ų | 128.9 | 83% | 0.825 | 66% | 0.659 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -99.1 | -16.3 | 177.9 | -112.1 | -86.4 | 0 | 0 | 0 | 115.3 | F1388 | F1388-F1390 PolarHBondContact O-N 3.01Š|
| 1391 | N | 40.2 | Very low | 45.8 | Very low | 115 Ų | 115 | 127.3 Ų | 127.3 | 62% | 0.615 | 65% | 0.648 | S | S | * | * | H | α-helix | trans | -87.6 | -16.7 | 175.2 | -84.8 | -21.3 | 0 | 0 | 0 | 113.9 | V1393 L1394 I1395 | N1391-V1393 PolarHBondContact O-N 2.85Å; N1391-L1394 PolarHBondContact O-N 2.94Å; N1391-I1395 HydrophobicContact CB-CD1 4.28Å; N1391-I1395 WeakPolarHBondContact O-CB 3.47Å; N1391-I1395 WeakPolarHBondContact O-CD1 3.5Å; N1391-I1395 WeakPolarHBondContact O-CG1 3.48Å; N1391-I1395 PolarHBondContact O-N 3.48Å |
| 1392 | I | 49.8 | Very low | 48.5 | Very low | 97 Ų | 97 | 119 Ų | 119 | 50% | 0.497 | 62% | 0.621 | S | S | . | * | H | α-helix | trans | -67.5 | -36.3 | -176.8 | -65.3 | 174.8 | 0 | 0 | 0 | 111.1 | I1395 I1396 | I1392-I1395 PolarHBondContact O-N 3.4Å; I1392-I1396 HydrophobicContact CG2-CD1 3.51Å; I1392-I1396 HydrophobicContact CG2-CG1 4.1Å; I1392-I1396 VanDerWaalsContact O-CB 3.31Å; I1392-I1396 WeakPolarHBondContact O-CB 3.44Å; I1392-I1396 WeakPolarHBondContact O-CG1 3.47Å; I1392-I1396 PolarHBondContact O-N 3.42Å |
| 1393 | V | 49.9 | Very low | 51.4 | Low | 109 Ų | 109 | 118.3 Ų | 118.3 | 66% | 0.661 | 61% | 0.613 | S | S | * | * | H | α-helix | trans | -68.9 | -38.4 | 179 | -178.8 | 0 | 0 | 0 | 0 | 111.5 | N1391 I1396 A1397 | N1391-V1393 PolarHBondContact O-N 2.85Å; V1393-I1396 PolarHBondContact O-N 3.28Å; V1393-A1397 WeakPolarHBondContact O-CB 3.46Å; V1393-A1397 PolarHBondContact O-N 2.86Å |
| 1394 | L | 51.7 | Low | 54.2 | Low | 120 Ų | 120 | 114.4 Ų | 114.4 | 63% | 0.628 | 60% | 0.601 | S | S | * | * | H | α-helix | trans | -69.8 | -41.2 | 177 | -153.4 | 94.8 | 0 | 0 | 0 | 111.3 | N1391 A1397 V1398 | N1391-L1394 PolarHBondContact O-N 2.94Å; L1394-A1397 PolarHBondContact O-N 2.96Å; L1394-V1398 VanDerWaalsContact O-CG2 3.3Å; L1394-V1398 WeakPolarHBondContact O-CG2 3.46Å; L1394-V1398 PolarHBondContact O-N 2.82Å |
| 1395 | I | 60.1 | Low | 57.1 | Low | 111 Ų | 111 | 108.5 Ų | 108.5 | 57% | 0.569 | 59% | 0.588 | S | S | * | * | H | α-helix | trans | -65.6 | -40.1 | 175.3 | -66.9 | 166.6 | 0 | 0 | 0 | 110.5 | N1391 I1392 S1399 | N1391-I1395 HydrophobicContact CB-CD1 4.28Å; N1391-I1395 WeakPolarHBondContact O-CB 3.47Å; N1391-I1395 WeakPolarHBondContact O-CD1 3.5Å; N1391-I1395 WeakPolarHBondContact O-CG1 3.48Å; N1391-I1395 PolarHBondContact O-N 3.48Å; I1392-I1395 PolarHBondContact O-N 3.4Å; I1395-S1399 WeakPolarHBondContact O-CB 3.41Å; I1395-S1399 PolarHBondContact O-N 3.5Å; I1395-S1399 PolarHBondContact O-OG 2.78Å; I1395-S1399 VanDerWaalsContact O-OG 3.08Å |
| 1396 | I | 65.9 | Low | 59.6 | Low | 92 Ų | 92 | 106.2 Ų | 106.2 | 47% | 0.472 | 58% | 0.575 | S | S | . | * | H | α-helix | trans | -63.3 | -47.5 | 175.1 | -71 | 168.5 | 0 | 0 | 0 | 109.8 | I1392 V1393 V1398 S1399 V1400 | I1392-I1396 HydrophobicContact CG2-CD1 3.51Å; I1392-I1396 HydrophobicContact CG2-CG1 4.1Å; I1392-I1396 VanDerWaalsContact O-CB 3.31Å; I1392-I1396 WeakPolarHBondContact O-CB 3.44Å; I1392-I1396 WeakPolarHBondContact O-CG1 3.47Å; I1392-I1396 PolarHBondContact O-N 3.42Å; V1393-I1396 PolarHBondContact O-N 3.28Å; I1396-V1398 PolarHBondContact O-N 3.38Å; I1396-S1399 WeakPolarHBondContact CA-OG 3.4Å; I1396-S1399 PolarHBondContact O-N 3.48Å; I1396-S1399 PolarHBondContact O-OG 3.14Å; I1396-V1400 HydrophobicContact CG2-CG2 4.16Å; I1396-V1400 WeakPolarHBondContact O-CB 3.4Å; I1396-V1400 VanDerWaalsContact O-CG2 3.26Å; I1396-V1400 WeakPolarHBondContact O-CG2 3.18Å; I1396-V1400 PolarHBondContact O-N 3.02Å |
| 1397 | A | 67.7 | Low | 62.6 | Low | 60 Ų | 60 | 101.6 Ų | 101.6 | 50% | 0.496 | 56% | 0.559 | S | S | . | * | H | α-helix | trans | -59.7 | -45.7 | 179 | 0 | 0 | 0 | 0 | 0 | 112.5 | V1393 L1394 V1400 S1401 | V1393-A1397 WeakPolarHBondContact O-CB 3.46Å; V1393-A1397 PolarHBondContact O-N 2.86Å; L1394-A1397 PolarHBondContact O-N 2.96Å; A1397-V1400 PolarHBondContact O-N 2.9Å; A1397-S1401 PolarHBondContact O-N 2.92Å; A1397-S1401 PolarHBondContact O-OG 3.01Å |
| 1398 | V | 72.9 | Confident | 65.2 | Low | 95 Ų | 95 | 98 Ų | 98 | 58% | 0.576 | 55% | 0.547 | S | S | * | . | H | α-helix | trans | -68.7 | -36.3 | 177.6 | 176.3 | 0 | 0 | 0 | 0 | 111.5 | L1394 I1396 S1401 G1402 | L1394-V1398 VanDerWaalsContact O-CG2 3.3Å; L1394-V1398 WeakPolarHBondContact O-CG2 3.46Å; L1394-V1398 PolarHBondContact O-N 2.82Å; I1396-V1398 PolarHBondContact O-N 3.38Å; V1398-S1401 WeakPolarHBondContact CA-OG 3.47Å; V1398-S1401 PolarHBondContact O-OG 3.18Å; V1398-G1402 PolarHBondContact O-N 2.84Å |
| 1399 | S | 73.6 | Confident | 67.5 | Low | 52 Ų | 52 | 93.3 Ų | 93.3 | 36% | 0.364 | 53% | 0.53 | S | S | . | . | H | α-helix | trans | -68.5 | -38.2 | 176.7 | 72 | 0 | 0 | 0 | 0 | 112.2 | I1395 I1396 G1402 I1403 | I1395-S1399 WeakPolarHBondContact O-CB 3.41Å; I1395-S1399 PolarHBondContact O-N 3.5Å; I1395-S1399 PolarHBondContact O-OG 2.78Å; I1395-S1399 VanDerWaalsContact O-OG 3.08Å; I1396-S1399 WeakPolarHBondContact CA-OG 3.4Å; I1396-S1399 PolarHBondContact O-N 3.48Å; I1396-S1399 PolarHBondContact O-OG 3.14Å; S1399-G1402 PolarHBondContact O-N 2.8Å; S1399-I1403 WeakPolarHBondContact O-CB 3.26Å; S1399-I1403 WeakPolarHBondContact O-CD1 3.32Å; S1399-I1403 WeakPolarHBondContact O-CG1 3.37Å; S1399-I1403 PolarHBondContact O-N 3.25Å |
| 1400 | V | 78.5 | Confident | 69.2 | Low | 76 Ų | 76 | 92.2 Ų | 92.2 | 46% | 0.461 | 52% | 0.522 | S | S | . | . | H | α-helix | trans | -69.3 | -43.9 | 177.1 | 172.9 | 0 | 0 | 0 | 0 | 110.1 | I1396 A1397 G1402 I1403 C1404 | I1396-V1400 HydrophobicContact CG2-CG2 4.16Å; I1396-V1400 WeakPolarHBondContact O-CB 3.4Å; I1396-V1400 VanDerWaalsContact O-CG2 3.26Å; I1396-V1400 WeakPolarHBondContact O-CG2 3.18Å; I1396-V1400 PolarHBondContact O-N 3.02Å; A1397-V1400 PolarHBondContact O-N 2.9Å; V1400-G1402 VanDerWaalsContact C-N 3.33Å; V1400-G1402 PolarHBondContact O-N 2.79Å; V1400-I1403 PolarHBondContact O-N 2.84Å; V1400-C1404 WeakPolarHBondContact O-CB 3.43Å; V1400-C1404 PolarHBondContact O-N 2.83Å; V1400-C1404 PolarHBondContact O-SG 2.83Å; V1400-C1404 VanDerWaalsContact O-SG 3.35Å |
| 1401 | S | 71.2 | Confident | 71 | Confident | 64 Ų | 64 | 86.5 Ų | 86.5 | 45% | 0.448 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -63.2 | -40.3 | 173.9 | 56.6 | 0 | 0 | 0 | 0 | 112 | A1397 V1398 C1404 V1405 | A1397-S1401 PolarHBondContact O-N 2.92Å; A1397-S1401 PolarHBondContact O-OG 3.01Å; V1398-S1401 WeakPolarHBondContact CA-OG 3.47Å; V1398-S1401 PolarHBondContact O-OG 3.18Å; S1401-C1404 PolarHBondContact O-N 2.77Å; S1401-V1405 VanDerWaalsContact O-CG2 3.3Å; S1401-V1405 WeakPolarHBondContact O-CG2 3.16Å; S1401-V1405 PolarHBondContact O-N 2.76Å |
| 1402 | G | 80.4 | Confident | 72.5 | Confident | 35 Ų | 35 | 84.2 Ų | 84.2 | 36% | 0.361 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -62.8 | -45 | 176.5 | 0 | 0 | 0 | 0 | 0 | 112.1 | V1398 S1399 V1400 V1405 L1406 | V1398-G1402 PolarHBondContact O-N 2.84Å; S1399-G1402 PolarHBondContact O-N 2.8Å; V1400-G1402 VanDerWaalsContact C-N 3.33Å; V1400-G1402 PolarHBondContact O-N 2.79Å; G1402-V1405 PolarHBondContact O-N 3.26Å; G1402-L1406 WeakPolarHBondContact O-CB 3.36Å; G1402-L1406 PolarHBondContact O-N 2.78Å |
| 1403 | I | 83.8 | Confident | 73.5 | Confident | 98 Ų | 98 | 83.5 Ų | 83.5 | 50% | 0.503 | 49% | 0.491 | S | S | . | . | H | α-helix | trans | -64.9 | -41.5 | 176 | -70.5 | 163.4 | 0 | 0 | 0 | 111 | S1399 V1400 L1406 I1407 | S1399-I1403 WeakPolarHBondContact O-CB 3.26Å; S1399-I1403 WeakPolarHBondContact O-CD1 3.32Å; S1399-I1403 WeakPolarHBondContact O-CG1 3.37Å; S1399-I1403 PolarHBondContact O-N 3.25Å; V1400-I1403 PolarHBondContact O-N 2.84Å; I1403-L1406 PolarHBondContact O-N 3.34Å; I1403-I1407 HydrophobicContact CG2-CD1 3.72Å; I1403-I1407 HydrophobicContact CG2-CG1 4.28Å; I1403-I1407 WeakPolarHBondContact O-CB 3.41Å; I1403-I1407 VanDerWaalsContact O-CG1 3.25Å; I1403-I1407 WeakPolarHBondContact O-CG1 3.38Å; I1403-I1407 PolarHBondContact O-N 2.77Å |
| 1404 | C | 80.1 | Confident | 74.2 | Confident | 65 Ų | 65 | 85 Ų | 85 | 44% | 0.439 | 49% | 0.486 | S | S | . | . | H | α-helix | trans | -62.2 | -43.8 | 175.1 | -74.9 | 0 | 0 | 0 | 0 | 111.9 | V1400 S1401 L1406 I1407 I1408 | V1400-C1404 WeakPolarHBondContact O-CB 3.43Å; V1400-C1404 PolarHBondContact O-N 2.83Å; V1400-C1404 PolarHBondContact O-SG 2.83Å; V1400-C1404 VanDerWaalsContact O-SG 3.35Å; S1401-C1404 PolarHBondContact O-N 2.77Å; C1404-L1406 VanDerWaalsContact C-N 3.34Å; C1404-I1407 PolarHBondContact O-N 3.04Å; C1404-I1408 WeakPolarHBondContact O-CB 3.19Å; C1404-I1408 WeakPolarHBondContact O-CD1 3.19Å; C1404-I1408 WeakPolarHBondContact O-CG1 3.37Å; C1404-I1408 PolarHBondContact O-N 3.16Å |
| 1405 | V | 81.5 | Confident | 74.2 | Confident | 84 Ų | 84 | 89 Ų | 89 | 51% | 0.509 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -63.9 | -41.1 | 175.4 | 171.9 | 0 | 0 | 0 | 0 | 110.7 | S1401 G1402 I1408 L1409 | S1401-V1405 VanDerWaalsContact O-CG2 3.3Å; S1401-V1405 WeakPolarHBondContact O-CG2 3.16Å; S1401-V1405 PolarHBondContact O-N 2.76Å; G1402-V1405 PolarHBondContact O-N 3.26Å; V1405-I1408 PolarHBondContact O-N 2.92Å; V1405-L1409 HydrophobicContact CG1-CD1 4.23Å; V1405-L1409 WeakPolarHBondContact O-CB 3.49Å; V1405-L1409 PolarHBondContact O-N 2.84Å |
| 1406 | L | 82.9 | Confident | 73.8 | Confident | 112 Ų | 112 | 87.4 Ų | 87.4 | 59% | 0.586 | 49% | 0.49 | S | S | * | . | H | α-helix | trans | -65 | -42.9 | 177.2 | -129 | 156.2 | 0 | 0 | 0 | 111.5 | G1402 I1403 C1404 L1409 T1410 | G1402-L1406 WeakPolarHBondContact O-CB 3.36Å; G1402-L1406 PolarHBondContact O-N 2.78Å; I1403-L1406 PolarHBondContact O-N 3.34Å; C1404-L1406 VanDerWaalsContact C-N 3.34Å; L1406-L1409 CarbonylContact O-C 3.58Å; L1406-L1409 PolarHBondContact O-N 2.93Å; L1406-T1410 HydrophobicContact CD2-CG2 4.41Å; L1406-T1410 PolarHBondContact O-N 2.92Å; L1406-T1410 PolarHBondContact O-OG1 3.06Å |
| 1407 | I | 85.8 | Confident | 72.9 | Confident | 91 Ų | 91 | 89.5 Ų | 89.5 | 47% | 0.467 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -60.8 | -46 | 174.2 | -71.2 | 167.6 | 0 | 0 | 0 | 110.1 | I1403 C1404 L1409 T1410 C1411 | I1403-I1407 HydrophobicContact CG2-CD1 3.72Å; I1403-I1407 HydrophobicContact CG2-CG1 4.28Å; I1403-I1407 WeakPolarHBondContact O-CB 3.41Å; I1403-I1407 VanDerWaalsContact O-CG1 3.25Å; I1403-I1407 WeakPolarHBondContact O-CG1 3.38Å; I1403-I1407 PolarHBondContact O-N 2.77Å; C1404-I1407 PolarHBondContact O-N 3.04Å; I1407-L1409 VanDerWaalsContact C-N 3.34Å; I1407-L1409 PolarHBondContact O-N 3.27Å; I1407-T1410 WeakPolarHBondContact CA-OG1 3.45Å; I1407-T1410 CarbonylContact O-C 3.54Å; I1407-T1410 PolarHBondContact O-N 2.89Å; I1407-T1410 PolarHBondContact O-OG1 2.94Å; I1407-C1411 VanDerWaalsContact O-CB 3.27Å; I1407-C1411 WeakPolarHBondContact O-CB 3.09Å; I1407-C1411 PolarHBondContact O-N 3.19Å |
| 1408 | I | 82.1 | Confident | 71.5 | Confident | 108 Ų | 108 | 95.1 Ų | 95.1 | 55% | 0.554 | 51% | 0.508 | S | S | * | . | H | α-helix | trans | -61.4 | -44.2 | 176.2 | -68.4 | 164.1 | 0 | 0 | 0 | 110.2 | C1404 V1405 C1411 T1412 | C1404-I1408 WeakPolarHBondContact O-CB 3.19Å; C1404-I1408 WeakPolarHBondContact O-CD1 3.19Å; C1404-I1408 WeakPolarHBondContact O-CG1 3.37Å; C1404-I1408 PolarHBondContact O-N 3.16Å; V1405-I1408 PolarHBondContact O-N 2.92Å; I1408-C1411 CarbonylContact O-C 3.48Å; I1408-C1411 PolarHBondContact O-N 2.82Å; I1408-T1412 HydrophobicContact CG2-CG2 4.34Å; I1408-T1412 WeakPolarHBondContact O-CG2 3.44Å; I1408-T1412 PolarHBondContact O-N 2.93Å; I1408-T1412 PolarHBondContact O-OG1 3.45Å; I1408-T1412 VanDerWaalsContact O-OG1 3.11Å |
| 1409 | L | 79.6 | Confident | 69.5 | Low | 90 Ų | 90 | 98.1 Ų | 98.1 | 47% | 0.471 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -64.9 | -42.2 | 177.2 | -112.4 | 153.7 | 0 | 0 | 0 | 112.3 | V1405 L1406 I1407 C1411 T1412 I1413 | V1405-L1409 HydrophobicContact CG1-CD1 4.23Å; V1405-L1409 WeakPolarHBondContact O-CB 3.49Å; V1405-L1409 PolarHBondContact O-N 2.84Å; L1406-L1409 CarbonylContact O-C 3.58Å; L1406-L1409 PolarHBondContact O-N 2.93Å; I1407-L1409 VanDerWaalsContact C-N 3.34Å; I1407-L1409 PolarHBondContact O-N 3.27Å; L1409-C1411 VanDerWaalsContact C-N 3.33Å; L1409-T1412 WeakPolarHBondContact CA-OG1 3.14Å; L1409-T1412 PolarHBondContact O-N 2.67Å; L1409-T1412 PolarHBondContact O-OG1 2.86Å; L1409-I1413 HydrophobicContact CD2-CD1 3.82Å; L1409-I1413 HydrophobicContact CD2-CG1 4.29Å; L1409-I1413 WeakPolarHBondContact O-CB 3.48Å; L1409-I1413 WeakPolarHBondContact O-CD1 3.43Å; L1409-I1413 WeakPolarHBondContact O-CG1 3.34Å; L1409-I1413 PolarHBondContact O-N 2.79Å |
| 1410 | T | 77.8 | Confident | 67.4 | Low | 74 Ų | 74 | 101.9 Ų | 101.9 | 45% | 0.454 | 53% | 0.525 | S | S | . | . | H | α-helix | trans | -69.5 | -31.5 | 172.4 | 38.9 | 0 | 0 | 0 | 0 | 111.7 | L1406 I1407 Y1414 | L1406-T1410 HydrophobicContact CD2-CG2 4.41Å; L1406-T1410 PolarHBondContact O-N 2.92Å; L1406-T1410 PolarHBondContact O-OG1 3.06Å; I1407-T1410 WeakPolarHBondContact CA-OG1 3.45Å; I1407-T1410 CarbonylContact O-C 3.54Å; I1407-T1410 PolarHBondContact O-N 2.89Å; I1407-T1410 PolarHBondContact O-OG1 2.94Å; T1410-Y1414 WeakPolarHBondContact O-CA 3.39Å; T1410-Y1414 WeakPolarHBondContact O-CB 3.34Å; T1410-Y1414 PolarHBondContact O-N 3.04Å |
| 1411 | C | 76.1 | Confident | 65.3 | Low | 69 Ų | 69 | 102.5 Ų | 102.5 | 47% | 0.466 | 52% | 0.523 | S | S | . | . | H | α-helix | trans | -71.6 | -37 | 173.8 | -93 | 0 | 0 | 0 | 0 | 111.5 | I1407 I1408 L1409 R1415 | I1407-C1411 VanDerWaalsContact O-CB 3.27Å; I1407-C1411 WeakPolarHBondContact O-CB 3.09Å; I1407-C1411 PolarHBondContact O-N 3.19Å; I1408-C1411 CarbonylContact O-C 3.48Å; I1408-C1411 PolarHBondContact O-N 2.82Å; L1409-C1411 VanDerWaalsContact C-N 3.33Å; C1411-R1415 VanDerWaalsContact O-CB 3.23Å; C1411-R1415 WeakPolarHBondContact O-CB 3.32Å; C1411-R1415 VanDerWaalsContact O-CG 3.32Å; C1411-R1415 WeakPolarHBondContact O-CG 3.38Å; C1411-R1415 PolarHBondContact O-N 3.37Å |
| 1412 | T | 70.1 | Confident | 63.2 | Low | 66 Ų | 66 | 101.6 Ų | 101.6 | 41% | 0.405 | 52% | 0.524 | S | S | . | . | H | α-helix | trans | -73.2 | -42.9 | 174.6 | 55 | 0 | 0 | 0 | 0 | 110.6 | I1408 L1409 R1415 C1416 | I1408-T1412 HydrophobicContact CG2-CG2 4.34Å; I1408-T1412 WeakPolarHBondContact O-CG2 3.44Å; I1408-T1412 PolarHBondContact O-N 2.93Å; I1408-T1412 PolarHBondContact O-OG1 3.45Å; I1408-T1412 VanDerWaalsContact O-OG1 3.11Å; L1409-T1412 WeakPolarHBondContact CA-OG1 3.14Å; L1409-T1412 PolarHBondContact O-N 2.67Å; L1409-T1412 PolarHBondContact O-OG1 2.86Å; T1412-R1415 CarbonylContact O-C 3.5Å; T1412-R1415 PolarHBondContact O-N 2.95Å; T1412-C1416 VanDerWaalsContact O-CB 3.25Å; T1412-C1416 WeakPolarHBondContact O-CB 3.32Å; T1412-C1416 PolarHBondContact O-N 2.86Å; T1412-C1416 PolarHBondContact O-SG 2.83Å |
| 1413 | I | 71.7 | Confident | 60.6 | Low | 82 Ų | 82 | 103.9 Ų | 103.9 | 42% | 0.421 | 53% | 0.531 | S | S | . | . | H | α-helix | trans | -63 | -43 | 171.8 | -68.3 | 165.4 | 0 | 0 | 0 | 110.2 | L1409 R1415 C1416 M1417 | L1409-I1413 HydrophobicContact CD2-CD1 3.82Å; L1409-I1413 HydrophobicContact CD2-CG1 4.29Å; L1409-I1413 WeakPolarHBondContact O-CB 3.48Å; L1409-I1413 WeakPolarHBondContact O-CD1 3.43Å; L1409-I1413 WeakPolarHBondContact O-CG1 3.34Å; L1409-I1413 PolarHBondContact O-N 2.79Å; I1413-R1415 PolarHBondContact O-N 3.3Å; I1413-C1416 CarbonylContact O-C 3.5Å; I1413-C1416 PolarHBondContact O-N 3.07Å; I1413-C1416 VanDerWaalsContact O-N 3.14Å; I1413-M1417 HydrophobicContact CG2-CG 3.92Å; I1413-M1417 HydrophobicContact CG2-SD 3.71Å; I1413-M1417 VanDerWaalsContact O-CB 3.27Å; I1413-M1417 WeakPolarHBondContact O-CB 3.43Å; I1413-M1417 VanDerWaalsContact O-CG 3.29Å; I1413-M1417 WeakPolarHBondContact O-CG 3.48Å; I1413-M1417 PolarHBondContact O-N 2.9Å |
| 1414 | Y | 64.5 | Low | 58 | Low | 142 Ų | 142 | 104.7 Ų | 104.7 | 56% | 0.557 | 53% | 0.528 | S | S | * | . | H | α-helix | trans | -63 | -42 | 174.9 | -178.9 | -97.1 | 0 | 0 | 0 | 111 | T1410 C1416 R1418 | T1410-Y1414 WeakPolarHBondContact O-CA 3.39Å; T1410-Y1414 WeakPolarHBondContact O-CB 3.34Å; T1410-Y1414 PolarHBondContact O-N 3.04Å; Y1414-C1416 VanDerWaalsContact C-N 3.34Å; Y1414-R1418 WeakPolarHBondContact O-CB 3.32Å; Y1414-R1418 PolarHBondContact O-N 2.9Å |
| 1415 | R | 51.1 | Low | 55.3 | Low | 202 Ų | 202 | 107.5 Ų | 107.5 | 76% | 0.762 | 54% | 0.539 | S | S | * | . | H | α-helix | trans | -65.7 | -32.5 | 171.8 | -83 | -175.2 | 167.1 | -170.7 | -3.8 | 113 | C1411 T1412 I1413 R1419 | C1411-R1415 VanDerWaalsContact O-CB 3.23Å; C1411-R1415 WeakPolarHBondContact O-CB 3.32Å; C1411-R1415 VanDerWaalsContact O-CG 3.32Å; C1411-R1415 WeakPolarHBondContact O-CG 3.38Å; C1411-R1415 PolarHBondContact O-N 3.37Å; T1412-R1415 CarbonylContact O-C 3.5Å; T1412-R1415 PolarHBondContact O-N 2.95Å; I1413-R1415 PolarHBondContact O-N 3.3Å; R1415-R1419 PolarHBondContact O-N 3.17Å |
| 1416 | C | 52.2 | Low | 52.7 | Low | 78 Ų | 78 | 110.1 Ų | 110.1 | 53% | 0.527 | 56% | 0.555 | S | S | . | * | H | α-helix | trans | -81.3 | -35.1 | 178.5 | -73.9 | 0 | 0 | 0 | 0 | 112.7 | T1412 I1413 Y1414 R1419 | T1412-C1416 VanDerWaalsContact O-CB 3.25Å; T1412-C1416 WeakPolarHBondContact O-CB 3.32Å; T1412-C1416 PolarHBondContact O-N 2.86Å; T1412-C1416 PolarHBondContact O-SG 2.83Å; I1413-C1416 CarbonylContact O-C 3.5Å; I1413-C1416 PolarHBondContact O-N 3.07Å; I1413-C1416 VanDerWaalsContact O-N 3.14Å; Y1414-C1416 VanDerWaalsContact C-N 3.34Å; C1416-R1419 VanDerWaalsContact O-CB 3.22Å; C1416-R1419 WeakPolarHBondContact O-CB 3.29Å; C1416-R1419 PolarHBondContact O-N 3.1Å |
| 1417 | M | 46.7 | Very low | 50 | Low | 136 Ų | 136 | 110.7 Ų | 110.7 | 67% | 0.67 | 56% | 0.555 | S | S | * | * | H | α-helix | trans | -74 | -30 | 176.1 | -75.9 | -175.7 | 61.6 | 0 | 0 | 111.5 | I1413 R1419 | I1413-M1417 HydrophobicContact CG2-CG 3.92Å; I1413-M1417 HydrophobicContact CG2-SD 3.71Å; I1413-M1417 VanDerWaalsContact O-CB 3.27Å; I1413-M1417 WeakPolarHBondContact O-CB 3.43Å; I1413-M1417 VanDerWaalsContact O-CG 3.29Å; I1413-M1417 WeakPolarHBondContact O-CG 3.48Å; I1413-M1417 PolarHBondContact O-N 2.9Å; M1417-R1419 PolarHBondContact O-N 3.13Å |
| 1418 | R | 39.4 | Very low | 47.2 | Very low | 179 Ų | 179 | 113.2 Ų | 113.2 | 68% | 0.675 | 57% | 0.565 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -84.7 | 9 | 169.4 | -105.5 | -169.9 | 177 | -160.5 | -0.9 | 113.9 | Y1414 D1420 | Y1414-R1418 WeakPolarHBondContact O-CB 3.32Å; Y1414-R1418 PolarHBondContact O-N 2.9Å; R1418-D1420 PolarHBondContact O-N 2.81Å |
| 1419 | R | 31.3 | Very low | 44.5 | Very low | 158 Ų | 158 | 112.2 Ų | 112.2 | 60% | 0.596 | 57% | 0.567 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -78.8 | 3.9 | 169 | -124.4 | 179.3 | -168.2 | 163.1 | 2.2 | 112.7 | R1415 C1416 M1417 E1421 E1427 | R1415-R1419 PolarHBondContact O-N 3.17Å; C1416-R1419 VanDerWaalsContact O-CB 3.22Å; C1416-R1419 WeakPolarHBondContact O-CB 3.29Å; C1416-R1419 PolarHBondContact O-N 3.1Å; M1417-R1419 PolarHBondContact O-N 3.13Å; R1419-E1421 PolarHBondContact O-N 3.29Å; R1419-E1427 IonicContact CZ-OE1 3.23Å; R1419-E1427 IonicContact CZ-OE2 3.27Å; R1419-E1427 IonicContact NE-OE1 2.71Å; R1419-E1427 IonicContact NH2-OE1 3.71Å; R1419-E1427 PolarHBondContact NH2-OE1 3.07Å; R1419-E1427 IonicContact NH2-OE2 3.85Å; R1419-E1427 PolarHBondContact NH2-OE2 2.69Å |
| 1420 | D | 29.4 | Very low | 41.9 | Very low | 130 Ų | 130 | 114.8 Ų | 114.8 | 70% | 0.695 | 59% | 0.587 | S | S | * | * | S | Bend | trans | -71.6 | 107.8 | 165.8 | -70.4 | -22.6 | 0 | 0 | 0 | 109.6 | R1418 | R1418-D1420 PolarHBondContact O-N 2.81Š|
| 1421 | E | 32.7 | Very low | 39.3 | Very low | 89 Ų | 89 | 115.8 Ų | 115.8 | 42% | 0.416 | 60% | 0.602 | S | S | . | * | S | Bend | trans | 57.9 | 82.2 | 146.1 | -52.7 | -168.8 | 157.2 | 0 | 0 | 116.8 | G609 R1419 | G609-E1421 VanDerWaalsContact O-O 3.09Å; R1419-E1421 PolarHBondContact O-N 3.29Å |
| 1422 | G | 28.1 | Very low | 36.8 | Very low | 45 Ų | 45 | 123.5 Ų | 123.5 | 46% | 0.464 | 62% | 0.623 | S | S | . | * | trans | 172.6 | 114.5 | 162.7 | 0 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 1423 | T | 25.4 | Very low | 34.6 | Very low | 84 Ų | 84 | 126.7 Ų | 126.7 | 52% | 0.515 | 64% | 0.643 | S | S | . | * | trans | 78.3 | 101.2 | 177 | 65.8 | 0 | 0 | 0 | 0 | 117.8 | G655 N1425 | G655-T1423 VanDerWaalsContact CA-CG2 3.4Å; T1423-N1425 VanDerWaalsContact C-N 3.33Å; T1423-N1425 PolarHBondContact O-N 2.95Å | ||
| 1424 | Y | 29.1 | Very low | 32.4 | Very low | 114 Ų | 114 | 126.5 Ų | 126.5 | 45% | 0.447 | 66% | 0.661 | S | S | . | * | trans | -70.6 | 80.3 | 167.6 | -64.7 | -89.4 | 0 | 0 | 0 | 110.9 | ||||
| 1425 | N | 24.5 | Very low | 30.5 | Very low | 125 Ų | 125 | 127.5 Ų | 127.5 | 67% | 0.668 | 67% | 0.671 | S | S | * | * | trans | -94.1 | 116.7 | 151.2 | -77.1 | -25.6 | 0 | 0 | 0 | 106.4 | T1423 E1427 | T1423-N1425 VanDerWaalsContact C-N 3.33Å; T1423-N1425 PolarHBondContact O-N 2.95Å; N1425-E1427 PolarHBondContact O-N 2.76Å | ||
| 1426 | V | 27.1 | Very low | 29.1 | Very low | 138 Ų | 138 | 124.5 Ų | 124.5 | 84% | 0.836 | 68% | 0.675 | S | S | * | * | trans | -57.2 | 108.9 | 168.7 | 177.3 | 0 | 0 | 0 | 0 | 106.2 | E1428 | V1426-E1428 PolarHBondContact O-N 3.38Å; V1426-E1428 VanDerWaalsContact O-N 3.1Å | ||
| 1427 | E | 25.1 | Very low | 27.7 | Very low | 124 Ų | 124 | 126.4 Ų | 126.4 | 58% | 0.579 | 68% | 0.684 | S | S | * | * | trans | -61.8 | 115 | 173 | -78.3 | -178.8 | 175.7 | 0 | 0 | 108.4 | R1419 N1425 S1429 | R1419-E1427 IonicContact CZ-OE1 3.23Å; R1419-E1427 IonicContact CZ-OE2 3.27Å; R1419-E1427 IonicContact NE-OE1 2.71Å; R1419-E1427 IonicContact NH2-OE1 3.71Å; R1419-E1427 PolarHBondContact NH2-OE1 3.07Å; R1419-E1427 IonicContact NH2-OE2 3.85Å; R1419-E1427 PolarHBondContact NH2-OE2 2.69Å; N1425-E1427 PolarHBondContact O-N 2.76Å; E1427-S1429 PolarHBondContact O-N 3.47Å | ||
| 1428 | E | 27.1 | Very low | 26.6 | Very low | 145 Ų | 145 | 128.9 Ų | 128.9 | 68% | 0.678 | 69% | 0.691 | S | S | * | * | S | Bend | trans | -63.3 | 79.4 | 165.8 | -71.3 | -177.9 | 139.2 | 0 | 0 | 109.5 | V1426 | V1426-E1428 PolarHBondContact O-N 3.38Å; V1426-E1428 VanDerWaalsContact O-N 3.1Å |
| 1429 | S | 24.9 | Very low | 25.7 | Very low | 86 Ų | 86 | 126.3 Ų | 126.3 | 60% | 0.601 | 70% | 0.695 | S | S | * | * | trans | -172.6 | 142 | 152.5 | 48.4 | 0 | 0 | 0 | 0 | 109 | E1427 | E1427-S1429 PolarHBondContact O-N 3.47Š| ||
| 1430 | T | 25.4 | Very low | 25.3 | Very low | 144 Ų | 144 | 124.5 Ų | 124.5 | 88% | 0.883 | 70% | 0.702 | S | S | * | * | trans | 81 | 51.2 | 177.6 | 84.3 | 0 | 0 | 0 | 0 | 117 | ||||
| 1431 | A | 23.7 | Very low | 25 | Very low | 95 Ų | 95 | 125.7 Ų | 125.7 | 79% | 0.785 | 71% | 0.708 | S | S | * | * | S | Bend | trans | -126 | 93.1 | 150.7 | 0 | 0 | 0 | 0 | 0 | 109.3 | T1433 | A1431-T1433 PolarHBondContact O-N 3.38Š|
| 1432 | Y | 22.8 | Very low | 24.5 | Very low | 232 Ų | 232 | 128.6 Ų | 128.6 | 91% | 0.91 | 73% | 0.725 | S | S | * | * | trans | 29.5 | 88.2 | 153.7 | -91.4 | -96.9 | 0 | 0 | 0 | 117.3 | G1434 | Y1432-G1434 PolarHBondContact O-N 3.43Š| ||
| 1433 | T | 25.4 | Very low | 24.2 | Very low | 133 Ų | 133 | 133.1 Ų | 133.1 | 82% | 0.816 | 74% | 0.743 | S | S | * | * | trans | -75.8 | 106.6 | 151.1 | 45.7 | 0 | 0 | 0 | 0 | 108.1 | A1431 E1435 | A1431-T1433 PolarHBondContact O-N 3.38Å; T1433-E1435 PolarHBondContact O-N 2.82Å; T1433-E1435 VanDerWaalsContact O-N 3.11Å | ||
| 1434 | G | 24.9 | Very low | 24 | Very low | 77 Ų | 77 | 132.4 Ų | 132.4 | 79% | 0.794 | 75% | 0.753 | S | S | * | * | trans | -74.8 | 25.6 | 170.7 | 0 | 0 | 0 | 0 | 0 | 113.9 | Y1432 | Y1432-G1434 PolarHBondContact O-N 3.43Š| ||
| 1435 | E | 23.5 | Very low | 23.6 | Very low | 164 Ų | 164 | 130.6 Ų | 130.6 | 77% | 0.766 | 77% | 0.769 | S | S | * | * | trans | -107 | 114.3 | 177 | -75.7 | -167.9 | 159.6 | 0 | 0 | 110.5 | T1433 V1437 | T1433-E1435 PolarHBondContact O-N 2.82Å; T1433-E1435 VanDerWaalsContact O-N 3.11Å; E1435-V1437 PolarHBondContact O-N 2.67Å | ||
| 1436 | T | 22.4 | Very low | 23.4 | Very low | 139 Ų | 139 | 136.4 Ų | 136.4 | 85% | 0.853 | 78% | 0.782 | S | S | * | * | trans | -66.5 | 81.6 | 169.3 | 42.7 | 0 | 0 | 0 | 0 | 109.2 | K1438 | T1436-K1438 VanDerWaalsContact C-N 3.31Å; T1436-K1438 PolarHBondContact O-N 3.2Å | ||
| 1437 | V | 22.7 | Very low | 23.1 | Very low | 117 Ų | 117 | 138 Ų | 138 | 71% | 0.709 | 78% | 0.78 | S | S | * | * | trans | -66.1 | 99.9 | 164.3 | -179.5 | 0 | 0 | 0 | 0 | 106.5 | E1435 T1439 | E1435-V1437 PolarHBondContact O-N 2.67Å; V1437-T1439 VanDerWaalsContact C-N 3.32Å; V1437-T1439 PolarHBondContact O-N 2.64Å | ||
| 1438 | K | 23 | Very low | 23 | Very low | 188 Ų | 188 | 139.2 Ų | 139.2 | 82% | 0.817 | 79% | 0.785 | S | S | * | * | trans | -53 | 99.7 | 164.9 | -77.9 | 179.7 | 176.2 | 177 | 0 | 107.5 | T1436 T1440 | T1436-K1438 VanDerWaalsContact C-N 3.31Å; T1436-K1438 PolarHBondContact O-N 3.2Å; K1438-T1440 PolarHBondContact O-N 2.77Å | ||
| 1439 | T | 21.7 | Very low | 22.9 | Very low | 126 Ų | 126 | 140.3 Ų | 140.3 | 77% | 0.773 | 79% | 0.794 | S | S | * | * | trans | -65.2 | 90.8 | 165.6 | 40.3 | 0 | 0 | 0 | 0 | 107.3 | V1437 N1441 | V1437-T1439 VanDerWaalsContact C-N 3.32Å; V1437-T1439 PolarHBondContact O-N 2.64Å; T1439-N1441 PolarHBondContact O-N 2.86Å | ||
| 1440 | T | 23.2 | Very low | 22.7 | Very low | 120 Ų | 120 | 142.4 Ų | 142.4 | 74% | 0.736 | 80% | 0.797 | S | S | * | * | trans | -67.7 | 113.4 | 162.2 | 27.7 | 0 | 0 | 0 | 0 | 106.7 | K1438 I1442 | K1438-T1440 PolarHBondContact O-N 2.77Å; T1440-I1442 PolarHBondContact O-N 2.86Å | ||
| 1441 | N | 22.4 | Very low | 22.5 | Very low | 155 Ų | 155 | 139.9 Ų | 139.9 | 83% | 0.829 | 79% | 0.786 | S | S | * | * | trans | -46.3 | 106.1 | 166.9 | -72.9 | -33.3 | 0 | 0 | 0 | 109.9 | T1439 | T1439-N1441 PolarHBondContact O-N 2.86Š| ||
| 1442 | I | 22.2 | Very low | 22.4 | Very low | 150 Ų | 150 | 142.4 Ų | 142.4 | 77% | 0.769 | 79% | 0.786 | S | S | * | * | trans | -118.4 | 90.4 | 155.5 | -60.1 | -179.3 | 0 | 0 | 0 | 106.8 | T1440 | T1440-I1442 PolarHBondContact O-N 2.86Š| ||
| 1443 | V | 21 | Very low | 22.6 | Very low | 139 Ų | 139 | 137.4 Ų | 137.4 | 84% | 0.842 | 79% | 0.785 | S | S | * | * | trans | -65.9 | 124.7 | 155.3 | 171.5 | 0 | 0 | 0 | 0 | 107.5 | ||||
| 1444 | G | 20.9 | Very low | 22.5 | Very low | 69 Ų | 69 | 135.6 Ų | 135.6 | 71% | 0.711 | 78% | 0.777 | S | S | * | * | trans | 105.5 | 110.1 | 152.1 | 0 | 0 | 0 | 0 | 0 | 117.9 | ||||
| 1445 | G | 20.7 | Very low | 22.4 | Very low | 77 Ų | 77 | 139 Ų | 139 | 79% | 0.794 | 78% | 0.776 | S | S | * | * | trans | 119.2 | 127.5 | 130.8 | 0 | 0 | 0 | 0 | 0 | 118.4 | ||||
| 1446 | R | 21.8 | Very low | 22.7 | Very low | 246 Ų | 246 | 136.2 Ų | 136.2 | 93% | 0.928 | 77% | 0.772 | S | S | * | * | trans | 91.4 | 99.2 | 165.6 | -62 | 179.3 | 172.8 | 168.4 | -1.9 | 115.6 | ||||
| 1447 | E | 20.3 | Very low | 22.5 | Very low | 173 Ų | 173 | 137.9 Ų | 137.9 | 81% | 0.808 | 78% | 0.775 | S | S | * | * | 59.7 | 116.2 | 65.1 | -81.4 | -174.6 | -179.8 | 0 | 0 | 116 | |||||
| 1448 | H | 22.5 | Very low | 22.5 | Very low | 149 Ų | 149 | 140 Ų | 140 | 69% | 0.69 | 78% | 0.781 | S | S | * | * | trans | 67.1 | 103.2 | 147.4 | -68.9 | -68.6 | 0 | 0 | 0 | 121.7 | ||||
| 1449 | I | 24.3 | Very low | 22.3 | Very low | 167 Ų | 167 | 136.1 Ų | 136.1 | 86% | 0.856 | 78% | 0.777 | S | S | * | * | trans | -150.6 | 93.5 | 130.7 | -54 | -174.9 | 0 | 0 | 0 | 106.1 | ||||
| 1450 | I | 21.8 | Very low | 22.5 | Very low | 130 Ų | 130 | 137.5 Ų | 137.5 | 67% | 0.667 | 78% | 0.779 | S | S | * | * | 58.3 | 96.3 | 88.4 | -59.3 | -179.2 | 0 | 0 | 0 | 111.8 | |||||
| 1451 | S | 21 | Very low | 22.6 | Very low | 92 Ų | 92 | 139.9 Ų | 139.9 | 64% | 0.643 | 78% | 0.782 | S | S | * | * | 78.8 | 122.7 | 90.2 | 92.1 | 0 | 0 | 0 | 0 | 115.1 | |||||
| 1452 | D | 22.6 | Very low | 22.7 | Very low | 147 Ų | 147 | 138.3 Ų | 138.3 | 79% | 0.786 | 78% | 0.78 | S | S | * | * | 168.9 | 103.3 | 122.2 | -85.5 | -2.4 | 0 | 0 | 0 | 112.2 | |||||
| 1453 | S | 27 | Very low | 22.7 | Very low | 127 Ų | 127 | 140 Ų | 140 | 89% | 0.888 | 78% | 0.784 | S | S | * | * | trans | -167.5 | 111 | 132.9 | 39.7 | 0 | 0 | 0 | 0 | 108.2 | ||||
| 1454 | S | 21.8 | Very low | 22.8 | Very low | 95 Ų | 95 | 142 Ų | 142 | 66% | 0.664 | 79% | 0.79 | S | S | * | * | trans | -122.1 | 162 | -177.2 | 55.8 | 0 | 0 | 0 | 0 | 109.4 | ||||
| 1455 | I | 23.3 | Very low | 22.8 | Very low | 150 Ų | 150 | 146.5 Ų | 146.5 | 77% | 0.769 | 80% | 0.796 | S | S | * | * | trans | 88.4 | 133.7 | 157.4 | -56.5 | 160.4 | 0 | 0 | 0 | 116.7 | ||||
| 1456 | P | 29.6 | Very low | 22.8 | Very low | 105 Ų | 105 | 152.6 Ų | 152.6 | 68% | 0.682 | 80% | 0.8 | S | S | * | * | cis | -144.6 | 165.8 | -30.5 | 38.6 | -19.1 | 0 | 0 | 0 | 115.8 | ||||
| 1457 | L | 18.8 | Very low | 22.9 | Very low | 174 Ų | 174 | 146.4 Ų | 146.4 | 91% | 0.911 | 80% | 0.795 | S | S | * | * | P | Polyproline II helix | trans | -60.6 | 133.7 | 158.2 | -88.3 | 83.2 | 0 | 0 | 0 | 111.7 | ||
| 1458 | I | 22.7 | Very low | 22.8 | Very low | 161 Ų | 161 | 144.7 Ų | 144.7 | 83% | 0.826 | 79% | 0.789 | S | S | * | * | P | Polyproline II helix | trans | -101.1 | 126.5 | 156.4 | -70.4 | 171.3 | 0 | 0 | 0 | 108.3 | ||
| 1459 | S | 19.3 | Very low | 22.7 | Very low | 106 Ų | 106 | 144 Ų | 144 | 74% | 0.741 | 80% | 0.796 | S | S | * | * | P | Polyproline II helix | trans | -71.6 | 136.4 | 175 | 172.4 | 0 | 0 | 0 | 0 | 112.1 | ||
| 1460 | L | 25.3 | Very low | 22.5 | Very low | 155 Ų | 155 | 144.6 Ų | 144.6 | 81% | 0.812 | 79% | 0.793 | S | S | * | * | trans | -154 | 100.9 | 151.6 | -98.9 | 165.9 | 0 | 0 | 0 | 111 | ||||
| 1461 | Q | 24.3 | Very low | 22.4 | Very low | 170 Ų | 170 | 146.1 Ų | 146.1 | 79% | 0.794 | 80% | 0.801 | S | S | * | * | trans | 51 | 132.3 | 148.7 | -70.4 | -175.2 | -49.9 | 0 | 0 | 124.3 | ||||
| 1462 | P | 25.2 | Very low | 22.3 | Very low | 123 Ų | 123 | 150.1 Ų | 150.1 | 80% | 0.799 | 81% | 0.807 | S | S | * | * | trans | -102.1 | 110.2 | 174.8 | 36.3 | -26 | 0 | 0 | 0 | 113.1 | ||||
| 1463 | E | 22.4 | Very low | 22.3 | Very low | 184 Ų | 184 | 149.2 Ų | 149.2 | 86% | 0.86 | 81% | 0.808 | S | S | * | * | trans | -151.8 | 92.7 | 154.9 | -79.3 | -158.1 | 163.5 | 0 | 0 | 109.2 | ||||
| 1464 | L | 23.8 | Very low | 21.9 | Very low | 183 Ų | 183 | 149.1 Ų | 149.1 | 96% | 0.958 | 80% | 0.798 | S | S | * | * | trans | 176 | 61.6 | 151.5 | -95.9 | 145.7 | 0 | 0 | 0 | 110 | ||||
| 1465 | I | 21.1 | Very low | 22 | Very low | 162 Ų | 162 | 156.3 Ų | 156.3 | 83% | 0.831 | 81% | 0.812 | S | S | * | * | trans | -117.7 | 96.8 | 156.8 | -62.1 | 175.9 | 0 | 0 | 0 | 106.5 | ||||
| 1466 | K | 20.7 | Very low | 21.9 | Very low | 206 Ų | 206 | 156.9 Ų | 156.9 | 90% | 0.896 | 81% | 0.812 | S | S | * | * | trans | -161 | 87.8 | 156.4 | -94.3 | -171.5 | -171.8 | 172.6 | 0 | 109.4 | ||||
| 1467 | S | 22.5 | Very low | 21.4 | Very low | 115 Ų | 115 | 158.1 Ų | 158.1 | 80% | 0.804 | 82% | 0.818 | S | S | * | * | trans | 172.1 | 83.6 | 134.9 | 56.1 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 1468 | I | 19.5 | Very low | 21.6 | Very low | 137 Ų | 137 | 156.1 Ų | 156.1 | 70% | 0.703 | 81% | 0.813 | S | S | * | * | trans | -98 | 126.1 | 152.9 | -68.7 | 171.3 | 0 | 0 | 0 | 105.4 | F1470 | I1468-F1470 HydrophobicContact CG2-CD2 3.65Å; I1468-F1470 HydrophobicContact CG2-CE2 3.8Å | ||
| 1469 | T | 19.1 | Very low | 21.5 | Very low | 136 Ų | 136 | 155.4 Ų | 155.4 | 83% | 0.834 | 81% | 0.811 | S | S | * | * | trans | -137.7 | 115.6 | 157.7 | -35.1 | 0 | 0 | 0 | 0 | 109.2 | ||||
| 1470 | F | 20.1 | Very low | 21.8 | Very low | 178 Ų | 178 | 157.5 Ų | 157.5 | 78% | 0.781 | 82% | 0.819 | S | S | * | * | trans | -77.4 | 148.3 | 170.3 | -86.1 | -96.3 | 0 | 0 | 0 | 110.9 | I1468 | I1468-F1470 HydrophobicContact CG2-CD2 3.65Å; I1468-F1470 HydrophobicContact CG2-CE2 3.8Å | ||
| 1471 | I | 20.6 | Very low | 21.7 | Very low | 163 Ų | 163 | 156.5 Ų | 156.5 | 84% | 0.836 | 81% | 0.814 | S | S | * | * | trans | -117.6 | 121.3 | 159.1 | -65.4 | 175.9 | 0 | 0 | 0 | 107.7 | ||||
| 1472 | K | 18.9 | Very low | 21.5 | Very low | 176 Ų | 176 | 154 Ų | 154 | 77% | 0.765 | 81% | 0.807 | S | S | * | * | trans | -85.1 | 156.7 | 166.2 | -86.7 | -178.6 | 169.9 | -175.5 | 0 | 110.1 | ||||
| 1473 | P | 21.6 | Very low | 21.4 | Very low | 127 Ų | 127 | 158 Ų | 158 | 83% | 0.825 | 81% | 0.806 | S | S | * | * | trans | -117.7 | 142.9 | 134.8 | 25 | -9.7 | 0 | 0 | 0 | 111.6 | ||||
| 1474 | N | 19.3 | Very low | 21.5 | Very low | 126 Ų | 126 | 155.4 Ų | 155.4 | 67% | 0.674 | 81% | 0.808 | S | S | * | * | trans | -70.3 | 146.3 | 174.8 | -68.2 | -29.1 | 0 | 0 | 0 | 111.8 | ||||
| 1475 | Y | 24.4 | Very low | 21.4 | Very low | 245 Ų | 245 | 153.6 Ų | 153.6 | 96% | 0.961 | 80% | 0.798 | S | S | * | * | trans | -145.7 | 142.9 | 133.3 | -93.4 | -74.5 | 0 | 0 | 0 | 109.3 | ||||
| 1476 | E | 20.1 | Very low | 21.4 | Very low | 162 Ų | 162 | 154.4 Ų | 154.4 | 76% | 0.757 | 80% | 0.801 | S | S | * | * | trans | -97.4 | 157.8 | -167.2 | -75.6 | 174.6 | 145.2 | 0 | 0 | 112.6 | ||||
| 1477 | T | 20.5 | Very low | 21.3 | Very low | 131 Ų | 131 | 154 Ų | 154 | 80% | 0.804 | 80% | 0.799 | S | S | * | * | trans | 67.3 | 135.3 | 154.5 | 61.2 | 0 | 0 | 0 | 0 | 117.3 | ||||
| 1478 | T | 21.7 | Very low | 21.2 | Very low | 132 Ų | 132 | 156.4 Ų | 156.4 | 81% | 0.81 | 80% | 0.802 | S | S | * | * | cis | -152 | 149.1 | 38.7 | 42.4 | 0 | 0 | 0 | 0 | 112.7 | ||||
| 1479 | D | 20.4 | Very low | 21.3 | Very low | 147 Ų | 147 | 156.6 Ų | 156.6 | 79% | 0.786 | 80% | 0.804 | S | S | * | * | trans | -45.8 | 138.3 | 167 | -60.9 | -54.5 | 0 | 0 | 0 | 114.7 | ||||
| 1480 | V | 25.4 | Very low | 21.4 | Very low | 149 Ų | 149 | 156.3 Ų | 156.3 | 90% | 0.903 | 80% | 0.797 | S | S | * | * | -150.6 | 121.7 | 129.5 | -179.4 | 0 | 0 | 0 | 0 | 108.4 | |||||
| 1481 | D | 23.5 | Very low | 21.4 | Very low | 134 Ų | 134 | 154.8 Ų | 154.8 | 72% | 0.717 | 80% | 0.797 | S | S | * | * | trans | -68.4 | 152.9 | -178.2 | -85.7 | -42.1 | 0 | 0 | 0 | 115.9 | ||||
| 1482 | D | 21.7 | Very low | 21.4 | Very low | 119 Ų | 119 | 152.8 Ų | 152.8 | 64% | 0.636 | 79% | 0.788 | S | S | * | * | trans | 51.1 | 121.4 | 137.3 | -79.9 | -32.7 | 0 | 0 | 0 | 122.8 | ||||
| 1483 | R | 22.4 | Very low | 21.7 | Very low | 207 Ų | 207 | 151.6 Ų | 151.6 | 78% | 0.781 | 79% | 0.788 | S | S | * | * | 50.6 | 95 | 126.2 | -60.1 | 172.9 | -177.1 | -165.1 | -3.4 | 117 | |||||
| 1484 | S | 25.2 | Very low | 21.6 | Very low | 129 Ų | 129 | 152.3 Ų | 152.3 | 90% | 0.902 | 78% | 0.784 | S | S | * | * | trans | -99.2 | 65.4 | 145 | 0.3 | 0 | 0 | 0 | 0 | 109.9 | M1486 | S1484-M1486 PolarHBondContact O-N 3.06Š| ||
| 1485 | L | 20.2 | Very low | 21.7 | Very low | 145 Ų | 145 | 151.9 Ų | 151.9 | 76% | 0.759 | 78% | 0.782 | S | S | * | * | trans | -74.8 | 98.9 | 148.4 | -103.3 | 152.3 | 0 | 0 | 0 | 106.2 | ||||
| 1486 | M | 21.1 | Very low | 21.6 | Very low | 179 Ų | 179 | 148.5 Ų | 148.5 | 88% | 0.882 | 77% | 0.774 | S | S | * | * | trans | -117.2 | 102.4 | 159.1 | -108.9 | -170.6 | 172 | 0 | 0 | 109.4 | S1484 L1488 | S1484-M1486 PolarHBondContact O-N 3.06Å; M1486-L1488 PolarHBondContact O-N 3.49Å | ||
| 1487 | K | 20.3 | Very low | 21.7 | Very low | 196 Ų | 196 | 145.6 Ų | 145.6 | 85% | 0.852 | 77% | 0.772 | S | S | * | * | trans | -48.5 | 123.7 | 157.2 | -76.6 | 171.1 | 169.4 | 176.1 | 0 | 109.2 | ||||
| 1488 | L | 19.8 | Very low | 21.7 | Very low | 166 Ų | 166 | 144.3 Ų | 144.3 | 87% | 0.869 | 77% | 0.768 | S | S | * | * | trans | -120.6 | 104.1 | 153.9 | -95.7 | 155 | 0 | 0 | 0 | 106.8 | M1486 | M1486-L1488 PolarHBondContact O-N 3.49Š| ||
| 1489 | N | 21.8 | Very low | 21.8 | Very low | 142 Ų | 142 | 146.1 Ų | 146.1 | 76% | 0.759 | 77% | 0.772 | S | S | * | * | trans | -103.3 | 118.8 | 167.1 | -156 | 27.7 | 0 | 0 | 0 | 104.6 | ||||
| 1490 | L | 20.7 | Very low | 21.9 | Very low | 129 Ų | 129 | 142.8 Ų | 142.8 | 68% | 0.675 | 77% | 0.765 | S | S | * | * | trans | -176.8 | 112.6 | 169.4 | -127.1 | 73 | 0 | 0 | 0 | 104.7 | N1492 | L1490-N1492 HydrophobicContact CD2-CB 4.42Å; L1490-N1492 HydrophobicContact CG-CB 4.18Å | ||
| 1491 | D | 19.8 | Very low | 21.7 | Very low | 146 Ų | 146 | 142.7 Ų | 142.7 | 78% | 0.781 | 76% | 0.759 | S | S | * | * | cis | 37.7 | 60.7 | 25.2 | -79 | 3.3 | 0 | 0 | 0 | 112.6 | ||||
| 1492 | N | 21.9 | Very low | 21.7 | Very low | 121 Ų | 121 | 143.8 Ų | 143.8 | 65% | 0.647 | 77% | 0.765 | S | S | * | * | trans | 178.7 | 153 | 138.7 | -90.1 | -33.5 | 0 | 0 | 0 | 111.4 | L1490 | L1490-N1492 HydrophobicContact CD2-CB 4.42Å; L1490-N1492 HydrophobicContact CG-CB 4.18Å | ||
| 1493 | I | 24.5 | Very low | 21.6 | Very low | 151 Ų | 151 | 147.4 Ų | 147.4 | 77% | 0.774 | 78% | 0.775 | S | S | * | * | trans | 89 | 91.5 | -174.5 | -47.4 | 163.1 | 0 | 0 | 0 | 110.6 | ||||
| 1494 | I | 19.2 | Very low | 21.6 | Very low | 143 Ų | 143 | 145.3 Ų | 145.3 | 73% | 0.733 | 78% | 0.778 | S | S | * | * | cis | 38.7 | 92.9 | 32.4 | -50.1 | -178.2 | 0 | 0 | 0 | 112.7 | ||||
| 1495 | N | 21.9 | Very low | 21.4 | Very low | 117 Ų | 117 | 143.5 Ų | 143.5 | 63% | 0.626 | 77% | 0.765 | S | S | * | * | -173.4 | 118 | 125.6 | -92.9 | -11.7 | 0 | 0 | 0 | 112 | |||||
| 1496 | E | 20.9 | Very low | 21.4 | Very low | 173 Ų | 173 | 144.7 Ų | 144.7 | 81% | 0.808 | 77% | 0.767 | S | S | * | * | 75.5 | 124.9 | 127 | -64.3 | -179.5 | 166.1 | 0 | 0 | 115.7 | |||||
| 1497 | S | 22.4 | Very low | 21.5 | Very low | 101 Ų | 101 | 142.9 Ų | 142.9 | 71% | 0.706 | 76% | 0.761 | S | S | * | * | cis | -168.6 | 143.9 | 28.7 | 48 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 1498 | S | 21.5 | Very low | 21.6 | Very low | 104 Ų | 104 | 141.2 Ų | 141.2 | 73% | 0.727 | 76% | 0.761 | S | S | * | * | trans | 47.4 | 125 | 146 | 61 | 0 | 0 | 0 | 0 | 119 | ||||
| 1499 | L | 23.4 | Very low | 21.7 | Very low | 171 Ų | 171 | 138.2 Ų | 138.2 | 90% | 0.895 | 75% | 0.752 | S | S | * | * | cis | -163.4 | 157.6 | 46.5 | -151.9 | 86.1 | 0 | 0 | 0 | 109.5 | ||||
| 1500 | A | 22.3 | Very low | 21.7 | Very low | 76 Ų | 76 | 138.4 Ų | 138.4 | 63% | 0.628 | 75% | 0.753 | S | S | * | * | trans | -58.6 | 155.9 | -169.5 | 0 | 0 | 0 | 0 | 0 | 118.5 | ||||
| 1501 | N | 20.5 | Very low | 21.7 | Very low | 147 Ų | 147 | 138.3 Ų | 138.3 | 79% | 0.786 | 76% | 0.757 | S | S | * | * | trans | 49.2 | 121.3 | 146.1 | -58.5 | -11.6 | 0 | 0 | 0 | 117.4 | ||||
| 1502 | D | 23.2 | Very low | 21.8 | Very low | 157 Ų | 157 | 138.6 Ų | 138.6 | 84% | 0.84 | 76% | 0.757 | S | S | * | * | -158.4 | 155.3 | 62.2 | -98.1 | -37.5 | 0 | 0 | 0 | 112.6 | |||||
| 1503 | K | 20.2 | Very low | 21.6 | Very low | 195 Ų | 195 | 138.5 Ų | 138.5 | 85% | 0.848 | 76% | 0.761 | S | S | * | * | trans | -53.7 | 132.2 | 168.5 | -66.3 | 169.7 | 175.6 | 176.1 | 0 | 110.7 | ||||
| 1504 | I | 22.7 | Very low | 21.4 | Very low | 163 Ų | 163 | 138.7 Ų | 138.7 | 84% | 0.836 | 76% | 0.762 | S | S | * | * | 179.4 | 141.1 | 122.4 | -85.2 | 150.9 | 0 | 0 | 0 | 108.3 | |||||
| 1505 | S | 20.6 | Very low | 21.5 | Very low | 91 Ų | 91 | 138.1 Ų | 138.1 | 64% | 0.636 | 76% | 0.76 | S | S | * | * | trans | -52.4 | 137.5 | -177.2 | 50.6 | 0 | 0 | 0 | 0 | 116.9 | ||||
| 1506 | E | 21.6 | Very low | 21.4 | Very low | 171 Ų | 171 | 140.9 Ų | 140.9 | 80% | 0.799 | 77% | 0.767 | S | S | * | * | trans | 70.7 | 126.6 | 131.3 | -67.1 | 178.8 | 171.5 | 0 | 0 | 121.7 | ||||
| 1507 | N | 22.9 | Very low | 21.4 | Very low | 140 Ų | 140 | 138.8 Ų | 138.8 | 75% | 0.749 | 77% | 0.766 | S | S | * | * | trans | 90.1 | 93.6 | 151 | -58.4 | -22.8 | 0 | 0 | 0 | 120.1 | ||||
| 1508 | N | 21.5 | Very low | 21.5 | Very low | 161 Ų | 161 | 142.3 Ų | 142.3 | 86% | 0.861 | 78% | 0.775 | S | S | * | * | 158 | 112.7 | 112.8 | -97.3 | -15 | 0 | 0 | 0 | 113 | |||||
| 1509 | P | 21.6 | Very low | 21.4 | Very low | 104 Ų | 104 | 142.8 Ų | 142.8 | 68% | 0.675 | 77% | 0.773 | S | S | * | * | trans | -112.6 | 150.4 | 150.5 | 24.5 | -7.1 | 0 | 0 | 0 | 109.6 | ||||
| 1510 | D | 22.9 | Very low | 21.3 | Very low | 145 Ų | 145 | 141.4 Ų | 141.4 | 78% | 0.775 | 77% | 0.767 | S | S | * | * | cis | -157.5 | 142.3 | 6.9 | -94.5 | -35.7 | 0 | 0 | 0 | 108.7 | ||||
| 1511 | V | 19.4 | Very low | 21.3 | Very low | 127 Ų | 127 | 144.7 Ų | 144.7 | 77% | 0.77 | 78% | 0.779 | S | S | * | * | trans | -76.9 | 132.7 | 161.7 | 168 | 0 | 0 | 0 | 0 | 107.6 | V1513 | V1511-V1513 HydrophobicContact CG1-CG2 4.04Š| ||
| 1512 | I | 21.9 | Very low | 21.4 | Very low | 153 Ų | 153 | 144.4 Ų | 144.4 | 79% | 0.785 | 78% | 0.778 | S | S | * | * | trans | -127.2 | 126.3 | 161.6 | -62 | -179.7 | 0 | 0 | 0 | 109.9 | ||||
| 1513 | V | 18 | Very low | 21.4 | Very low | 118 Ų | 118 | 141.8 Ų | 141.8 | 72% | 0.715 | 77% | 0.769 | S | S | * | * | trans | -97.6 | 132.6 | -176.7 | 172 | 0 | 0 | 0 | 0 | 109.6 | V1511 | V1511-V1513 HydrophobicContact CG1-CG2 4.04Š| ||
| 1514 | I | 21.8 | Very low | 21.4 | Very low | 155 Ų | 155 | 140.8 Ų | 140.8 | 80% | 0.795 | 77% | 0.771 | S | S | * | * | trans | -152.5 | 106.7 | 156.8 | -52.9 | -179.2 | 0 | 0 | 0 | 106.5 | ||||
| 1515 | D | 20.3 | Very low | 21.3 | Very low | 132 Ų | 132 | 138 Ų | 138 | 71% | 0.706 | 76% | 0.762 | S | S | * | * | 87.5 | 150.1 | 70.8 | -148 | 14 | 0 | 0 | 0 | 114.5 | |||||
| 1516 | K | 19.7 | Very low | 21.3 | Very low | 175 Ų | 175 | 140.4 Ų | 140.4 | 76% | 0.761 | 77% | 0.768 | S | S | * | * | trans | -83.7 | 170.5 | -142.1 | -65.2 | 153.2 | 176 | 165.1 | 0 | 116.9 | ||||
| 1517 | T | 21.6 | Very low | 21.3 | Very low | 129 Ų | 129 | 139 Ų | 139 | 79% | 0.791 | 77% | 0.766 | S | S | * | * | trans | 101 | 91.1 | 147.5 | 67.3 | 0 | 0 | 0 | 0 | 119.4 | ||||
| 1518 | I | 23.7 | Very low | 21.4 | Very low | 175 Ų | 175 | 140.1 Ų | 140.1 | 90% | 0.897 | 77% | 0.771 | S | S | * | * | -139.4 | 129.3 | 127.8 | -70.3 | -175 | 0 | 0 | 0 | 108.4 | |||||
| 1519 | T | 20.3 | Very low | 21.4 | Very low | 113 Ų | 113 | 140.2 Ų | 140.2 | 69% | 0.693 | 77% | 0.772 | S | S | * | * | trans | -99 | 149 | -178 | 40.5 | 0 | 0 | 0 | 0 | 112.6 | ||||
| 1520 | N | 21.5 | Very low | 21.4 | Very low | 142 Ų | 142 | 140.9 Ų | 140.9 | 76% | 0.759 | 78% | 0.778 | S | S | * | * | trans | 70 | 111.3 | 155.1 | -63.9 | -14.1 | 0 | 0 | 0 | 119.4 | ||||
| 1521 | V | 22.2 | Very low | 21.6 | Very low | 145 Ų | 145 | 140.5 Ų | 140.5 | 88% | 0.879 | 78% | 0.776 | S | S | * | * | -157.8 | 131.2 | 98.1 | 174.5 | 0 | 0 | 0 | 0 | 108.9 | |||||
| 1522 | N | 21.3 | Very low | 21.8 | Very low | 142 Ų | 142 | 142.5 Ų | 142.5 | 76% | 0.759 | 78% | 0.782 | S | S | * | * | trans | -79.2 | -167.7 | -179.6 | -65.6 | -34.3 | 0 | 0 | 0 | 112.7 | ||||
| 1523 | P | 24.3 | Very low | 21.8 | Very low | 102 Ų | 102 | 141.8 Ų | 141.8 | 66% | 0.662 | 78% | 0.779 | S | S | * | * | -130.1 | 145.7 | -85.1 | 37.8 | -20.4 | 0 | 0 | 0 | 112.2 | |||||
| 1524 | I | 19.5 | Very low | 21.9 | Very low | 174 Ų | 174 | 144.8 Ų | 144.8 | 89% | 0.892 | 79% | 0.785 | S | S | * | * | trans | -135.1 | 122.8 | 142.5 | -61.1 | -175.7 | 0 | 0 | 0 | 108.6 | ||||
| 1525 | T | 20.1 | Very low | 21.9 | Very low | 105 Ų | 105 | 143.2 Ų | 143.2 | 64% | 0.644 | 78% | 0.778 | S | S | * | * | trans | -70.3 | 159.2 | -176.4 | 43.6 | 0 | 0 | 0 | 0 | 114.8 | ||||
| 1526 | N | 21.6 | Very low | 21.9 | Very low | 140 Ų | 140 | 143.3 Ų | 143.3 | 75% | 0.749 | 78% | 0.784 | S | S | * | * | trans | 94.9 | 94.5 | 164.9 | -58.1 | -8.7 | 0 | 0 | 0 | 113.6 | ||||
| 1527 | N | 21.6 | Very low | 22 | Very low | 142 Ų | 142 | 144.7 Ų | 144.7 | 76% | 0.759 | 79% | 0.785 | S | S | * | * | 47.4 | 99.5 | 76.7 | -71.1 | 1.4 | 0 | 0 | 0 | 111.5 | |||||
| 1528 | D | 24.6 | Very low | 21.8 | Very low | 163 Ų | 163 | 148.1 Ų | 148.1 | 87% | 0.872 | 79% | 0.79 | S | S | * | * | -168.6 | 98.2 | 106.6 | -85.8 | -22.6 | 0 | 0 | 0 | 108.5 | |||||
| 1529 | D | 22.4 | Very low | 21.6 | Very low | 163 Ų | 163 | 147.9 Ų | 147.9 | 87% | 0.872 | 79% | 0.789 | S | S | * | * | trans | -66.6 | 128.2 | 160.3 | -77.6 | -48 | 0 | 0 | 0 | 109.2 | ||||
| 1530 | C | 21 | Very low | 21.6 | Very low | 119 Ų | 119 | 147 Ų | 147 | 80% | 0.804 | 79% | 0.793 | S | S | * | * | trans | -145.1 | 125.8 | 151.9 | -93.9 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 1531 | N | 26.4 | Very low | 21.6 | Very low | 136 Ų | 136 | 147.4 Ų | 147.4 | 73% | 0.727 | 80% | 0.795 | S | S | * | * | trans | 93.5 | 66.4 | 160.8 | -55.5 | -21.2 | 0 | 0 | 0 | 118.1 | ||||
| 1532 | N | 24.2 | Very low | 21.7 | Very low | 169 Ų | 169 | 147.1 Ų | 147.1 | 90% | 0.904 | 79% | 0.789 | S | S | * | * | -108.5 | 110.5 | 127.5 | -97.3 | -14.6 | 0 | 0 | 0 | 108.2 | |||||
| 1533 | I | 22.1 | Very low | 21.8 | Very low | 139 Ų | 139 | 146.5 Ų | 146.5 | 71% | 0.713 | 79% | 0.785 | S | S | * | * | trans | -128.2 | 91.8 | 165.1 | -60.8 | 177.6 | 0 | 0 | 0 | 107.1 | ||||
| 1534 | Q | 20.3 | Very low | 21.7 | Very low | 180 Ų | 180 | 148.1 Ų | 148.1 | 84% | 0.841 | 79% | 0.789 | S | S | * | * | trans | -86.2 | 130.9 | 135.8 | -77.5 | -177.6 | -24 | 0 | 0 | 106.1 | ||||
| 1535 | N | 21.8 | Very low | 22 | Very low | 122 Ų | 122 | 148.5 Ų | 148.5 | 65% | 0.652 | 78% | 0.784 | S | S | * | * | trans | -177.5 | 119.3 | 140.8 | -91 | -17.9 | 0 | 0 | 0 | 111.3 | Y1537 | N1535-Y1537 HydrophobicContact CB-CE2 4.44Å; N1535-Y1537 WeakPolarHBondContact O-CD2 3.16Å | ||
| 1536 | T | 19 | Very low | 22.2 | Very low | 135 Ų | 135 | 152.1 Ų | 152.1 | 83% | 0.828 | 79% | 0.793 | S | S | * | * | trans | -47.6 | 128.6 | 147.6 | 25.4 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 1537 | Y | 21.7 | Very low | 22.2 | Very low | 203 Ų | 203 | 151.5 Ų | 151.5 | 80% | 0.796 | 79% | 0.794 | S | S | * | * | trans | -106.6 | 114.8 | 173.5 | -82 | -88.6 | 0 | 0 | 0 | 110.7 | N1535 | N1535-Y1537 HydrophobicContact CB-CE2 4.44Å; N1535-Y1537 WeakPolarHBondContact O-CD2 3.16Å | ||
| 1538 | F | 18.1 | Very low | 22.2 | Very low | 201 Ų | 201 | 155.9 Ų | 155.9 | 88% | 0.882 | 80% | 0.8 | S | S | * | * | trans | -79 | 147 | 154.3 | -88.1 | -91.2 | 0 | 0 | 0 | 109.8 | ||||
| 1539 | I | 19.1 | Very low | 22 | Very low | 170 Ų | 170 | 154.4 Ų | 154.4 | 87% | 0.872 | 79% | 0.792 | S | S | * | * | trans | -74.3 | 129.4 | 175.4 | -64.5 | 164.6 | 0 | 0 | 0 | 109.3 | ||||
| 1540 | A | 21.7 | Very low | 22 | Very low | 95 Ų | 95 | 153 Ų | 153 | 79% | 0.785 | 79% | 0.789 | S | S | * | * | trans | -145.8 | 122.3 | 156.6 | 0 | 0 | 0 | 0 | 0 | 109.6 | ||||
| 1541 | D | 20.5 | Very low | 21.9 | Very low | 150 Ų | 150 | 156.9 Ų | 156.9 | 80% | 0.802 | 79% | 0.789 | S | S | * | * | trans | -56 | 136 | 170 | -100.9 | -37 | 0 | 0 | 0 | 111.7 | ||||
| 1542 | N | 24.1 | Very low | 21.7 | Very low | 139 Ų | 139 | 158.5 Ų | 158.5 | 74% | 0.743 | 80% | 0.797 | S | S | * | * | trans | -174.9 | 122 | 130.1 | -102.6 | -35 | 0 | 0 | 0 | 113.1 | ||||
| 1543 | N | 22.9 | Very low | 21.5 | Very low | 129 Ų | 129 | 159.6 Ų | 159.6 | 69% | 0.69 | 79% | 0.793 | S | S | * | * | trans | 70 | 116.9 | 141.1 | -68.9 | -30.1 | 0 | 0 | 0 | 121.6 | ||||
| 1544 | N | 24 | Very low | 21.4 | Very low | 137 Ų | 137 | 158.9 Ų | 158.9 | 73% | 0.733 | 80% | 0.795 | S | S | * | * | trans | 101 | 106.3 | 132.8 | -79.3 | -28 | 0 | 0 | 0 | 119.6 | ||||
| 1545 | K | 25.4 | Very low | 21.4 | Very low | 182 Ų | 182 | 157.6 Ų | 157.6 | 79% | 0.791 | 79% | 0.789 | S | S | * | * | trans | 99.5 | 111.6 | 137.4 | -68.8 | 177.3 | 179.6 | 178.1 | 0 | 118 | ||||
| 1546 | Q | 24.3 | Very low | 21.3 | Very low | 181 Ų | 181 | 160.9 Ų | 160.9 | 85% | 0.846 | 80% | 0.797 | S | S | * | * | trans | 88.4 | 90.6 | 143.1 | -72.8 | -176.3 | -21.1 | 0 | 0 | 119.6 | ||||
| 1547 | V | 20.3 | Very low | 21.5 | Very low | 127 Ų | 127 | 164.7 Ų | 164.7 | 77% | 0.77 | 80% | 0.797 | S | S | * | * | 53.2 | 104 | 119.4 | -174.8 | 0 | 0 | 0 | 0 | 116.8 | |||||
| 1548 | R | 22.6 | Very low | 21.5 | Very low | 234 Ų | 234 | 165 Ų | 165 | 88% | 0.883 | 80% | 0.802 | S | S | * | * | -161.6 | 111.7 | 113.9 | -104.8 | 174 | -170.2 | 178.3 | 3.6 | 110.4 | T1550 | R1548-T1550 PolarHBondContact O-N 3.23Š| |||
| 1549 | N | 20.2 | Very low | 21.9 | Very low | 131 Ų | 131 | 159.4 Ų | 159.4 | 70% | 0.701 | 79% | 0.788 | S | S | * | * | trans | -60.3 | 123.8 | 172.2 | -70.4 | -26 | 0 | 0 | 0 | 110.5 | Y1551 | N1549-Y1551 HydrophobicContact CB-CD2 4.45Å; N1549-Y1551 HydrophobicContact CB-CE2 4.06Å | ||
| 1550 | T | 22.4 | Very low | 22.1 | Very low | 133 Ų | 133 | 158.4 Ų | 158.4 | 82% | 0.816 | 79% | 0.79 | S | S | * | * | trans | -136.3 | 102.6 | 156.5 | -10.9 | 0 | 0 | 0 | 0 | 108.6 | R1548 L1552 | R1548-T1550 PolarHBondContact O-N 3.23Å; T1550-L1552 PolarHBondContact O-N 3.11Å | ||
| 1551 | Y | 19.5 | Very low | 22.3 | Very low | 202 Ų | 202 | 160.3 Ų | 160.3 | 79% | 0.792 | 79% | 0.786 | S | S | * | * | trans | -67.1 | 118.7 | 176.2 | -66.5 | -95.2 | 0 | 0 | 0 | 109.3 | N1549 | N1549-Y1551 HydrophobicContact CB-CD2 4.45Å; N1549-Y1551 HydrophobicContact CB-CE2 4.06Å | ||
| 1552 | L | 21 | Very low | 22.5 | Very low | 170 Ų | 170 | 159.6 Ų | 159.6 | 89% | 0.89 | 78% | 0.782 | S | S | * | * | trans | -117.2 | 105.2 | 157.1 | -93 | 159 | 0 | 0 | 0 | 108.2 | T1550 V1554 | T1550-L1552 PolarHBondContact O-N 3.11Å; L1552-V1554 PolarHBondContact O-N 3.39Å | ||
| 1553 | K | 20.4 | Very low | 22.8 | Very low | 191 Ų | 191 | 158.6 Ų | 158.6 | 83% | 0.83 | 78% | 0.783 | S | S | * | * | trans | -65.8 | 119.9 | -173.1 | -158.8 | 177.4 | -175.8 | -176.1 | 0 | 109.2 | E1555 | K1553-E1555 PolarHBondContact O-N 2.76Š| ||
| 1554 | V | 19.4 | Very low | 22.8 | Very low | 124 Ų | 124 | 161.8 Ų | 161.8 | 75% | 0.752 | 79% | 0.79 | S | S | * | * | trans | -69.3 | 105.2 | 169.2 | 176.1 | 0 | 0 | 0 | 0 | 108.3 | L1552 K1556 | L1552-V1554 PolarHBondContact O-N 3.39Å; V1554-K1556 HydrophobicContact CG1-CG 4.29Å; V1554-K1556 PolarHBondContact O-N 3.47Å | ||
| 1555 | E | 21.1 | Very low | 22.9 | Very low | 153 Ų | 153 | 163.2 Ų | 163.2 | 72% | 0.715 | 79% | 0.793 | S | S | * | * | trans | -82.9 | 104 | 159.6 | -81.1 | -166.7 | 171.1 | 0 | 0 | 109.2 | K1553 R1557 | K1553-E1555 PolarHBondContact O-N 2.76Å; E1555-R1557 PolarHBondContact O-N 2.8Å | ||
| 1556 | K | 20.5 | Very low | 22.9 | Very low | 191 Ų | 191 | 166 Ų | 166 | 83% | 0.83 | 80% | 0.798 | S | S | * | * | trans | -62.7 | 97.4 | 165.8 | -71.7 | 177.3 | 176.5 | 176.4 | 0 | 109.1 | V1554 | V1554-K1556 HydrophobicContact CG1-CG 4.29Å; V1554-K1556 PolarHBondContact O-N 3.47Å | ||
| 1557 | R | 23.4 | Very low | 22.7 | Very low | 215 Ų | 215 | 168.8 Ų | 168.8 | 81% | 0.811 | 80% | 0.803 | S | S | * | * | trans | -102.8 | 100.5 | 153.1 | -75.5 | -168.6 | -178.8 | -170.1 | 1.2 | 108.6 | E1555 S1559 | E1555-R1557 PolarHBondContact O-N 2.8Å; R1557-S1559 PolarHBondContact O-N 2.97Å; R1557-S1559 VanDerWaalsContact O-N 3.08Å | ||
| 1558 | K | 21.9 | Very low | 23.2 | Very low | 211 Ų | 211 | 173.2 Ų | 173.2 | 92% | 0.917 | 83% | 0.83 | S | S | * | * | trans | -61.6 | 99.1 | 159.3 | -75.7 | 179.7 | 172.5 | -176.3 | 0 | 107.2 | ||||
| 1559 | S | 25.3 | Very low | 23.3 | Very low | 83 Ų | 83 | 170.2 Ų | 170.2 | 58% | 0.58 | 83% | 0.827 | S | S | * | * | trans | -116.9 | 107.1 | 153 | 59.5 | 0 | 0 | 0 | 0 | 106.9 | R1557 I1561 | R1557-S1559 PolarHBondContact O-N 2.97Å; R1557-S1559 VanDerWaalsContact O-N 3.08Å; S1559-I1561 PolarHBondContact O-N 3.19Å | ||
| 1560 | T | 24 | Very low | 23.4 | Very low | 148 Ų | 148 | 172.2 Ų | 172.2 | 91% | 0.908 | 83% | 0.834 | S | S | * | * | trans | -50 | 104.6 | 160.3 | 40.8 | 0 | 0 | 0 | 0 | 108.4 | ||||
| 1561 | I | 25.2 | Very low | 23.5 | Very low | 136 Ų | 136 | 174.4 Ų | 174.4 | 70% | 0.697 | 84% | 0.835 | S | S | * | * | trans | -115.5 | 120.1 | 168.2 | -62.6 | 174.9 | 0 | 0 | 0 | 105.4 | S1559 | S1559-I1561 PolarHBondContact O-N 3.19Š| ||
| 1562 | D | 25.9 | Very low | 23.7 | Very low | 134 Ų | 134 | 172.8 Ų | 172.8 | 72% | 0.717 | 84% | 0.837 | S | S | * | * | trans | -63.4 | 135.4 | -172.6 | -160.2 | 3.8 | 0 | 0 | 0 | 110.9 | K1564 | D1562-K1564 VanDerWaalsContact C-N 3.28Å; D1562-K1564 PolarHBondContact O-N 3.2Å | ||
| 1563 | P | 29.2 | Very low | 23.9 | Very low | 118 Ų | 118 | 172.9 Ų | 172.9 | 77% | 0.766 | 83% | 0.834 | S | S | * | * | S | Bend | trans | -85 | 54.5 | -165.2 | 25.6 | -14 | 0 | 0 | 0 | 113.7 | ||
| 1564 | K | 23.8 | Very low | 24.1 | Very low | 196 Ų | 196 | 171.7 Ų | 171.7 | 85% | 0.852 | 83% | 0.834 | S | S | * | * | trans | -106.8 | 14.5 | 171.8 | -90.4 | -170.6 | 177.2 | -178.7 | 0 | 115.6 | D1562 | D1562-K1564 VanDerWaalsContact C-N 3.28Å; D1562-K1564 PolarHBondContact O-N 3.2Å | ||
| 1565 | E | 25.6 | Very low | 24.5 | Very low | 168 Ų | 168 | 175.1 Ų | 175.1 | 79% | 0.785 | 84% | 0.84 | S | S | * | * | trans | -116 | 54.4 | 177.5 | -68.5 | -168.1 | 166.1 | 0 | 0 | 113.4 | ||||
| 1566 | W | 24.3 | Very low | 24.7 | Very low | 239 Ų | 239 | 176.8 Ų | 176.8 | 91% | 0.905 | 85% | 0.85 | S | S | * | * | trans | -138.2 | 91.4 | 166.4 | -82.6 | 70 | 0 | 0 | 0 | 110.6 | ||||
| 1567 | Y | 21 | Very low | 25.1 | Very low | 240 Ų | 240 | 175.7 Ų | 175.7 | 94% | 0.941 | 85% | 0.851 | S | S | * | * | trans | -149.7 | 108.2 | 147.4 | -82.5 | -75.1 | 0 | 0 | 0 | 108.4 | ||||
| 1568 | V | 31.3 | Very low | 25.2 | Very low | 220 Ų | 220 | 172.1 Ų | 172.1 | 100% | 1.333 | 86% | 0.855 | S | S | * | * | trans | -128.8 | 0 | 149.9 | 175.3 | 0 | 0 | 0 | 0 | 106.4 |
Retrieved 1,568 of 1,568 residues in 3092.1 ms
(Link to these results)