| Site | Residue | pLDDT | pLDDT confidence | pLDDT10 | pLDDT10 confidence | SASA | SASA [Ų] | SASA10 | SASA10 [Ų] | RSA | RSA unformatted | RSA10 | RSA10 unformatted | Surface | Surface10 (not used) | Disorder (not used) | Disorder | Sec. str. | Secondary structure | Isomer | Phi (φ) | Psi (ψ) | Omega (ω) | Chi 1 (χ1) | Chi 2 (χ2) | Chi 3 (χ3) | Chi 4 (χ4) | Chi 5 (χ5) | Tau (τ) | Contacts (colored by PAE) | Contact details |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| 1 | M | 50.8 | Low | 68.8 | Low | 230 Ų | 230 | 121.9 Ų | 121.9 | 100% | 1.133 | 61% | 0.612 | S | S | * | * | 0 | 115.4 | 0 | -67.1 | -157.6 | -64.8 | 0 | 0 | 106 | |||||
| 2 | S | 54 | Low | 70.2 | Confident | 60 Ų | 60 | 120.3 Ų | 120.3 | 42% | 0.42 | 61% | 0.605 | S | S | . | * | trans | -70.6 | 149.1 | -159.8 | 27.2 | 0 | 0 | 0 | 0 | 112.8 | E4 N5 | S2-E4 PolarHBondContact O-N 3.47Å; S2-E4 VanDerWaalsContact O-N 3.12Å; S2-N5 PolarHBondContact O-N 3.05Å; S2-N5 PolarHBondContact OG-OD1 3.01Å | ||
| 3 | E | 58.7 | Low | 71.5 | Confident | 177 Ų | 177 | 119.3 Ų | 119.3 | 83% | 0.827 | 60% | 0.598 | S | S | * | * | H | α-helix | trans | -50.3 | -31.1 | 170.2 | -78.6 | 171.7 | 145 | 0 | 0 | 112.2 | N5 A6 E7 | E3-N5 PolarHBondContact O-N 3.25Å; E3-A6 WeakPolarHBondContact O-CB 3.44Å; E3-A6 PolarHBondContact O-N 3.37Å; E3-A6 VanDerWaalsContact O-N 3.09Å; E3-E7 PolarHBondContact O-N 2.98Å |
| 4 | E | 60.2 | Low | 72.8 | Confident | 132 Ų | 132 | 116.6 Ų | 116.6 | 62% | 0.617 | 59% | 0.591 | S | S | * | * | H | α-helix | trans | -55.5 | -43.5 | 173.1 | -162.3 | 169.6 | -160.3 | 0 | 0 | 113 | S2 A6 E7 E8 | S2-E4 PolarHBondContact O-N 3.47Å; S2-E4 VanDerWaalsContact O-N 3.12Å; E4-A6 VanDerWaalsContact C-N 3.29Å; E4-A6 PolarHBondContact O-N 3.09Å; E4-E7 PolarHBondContact O-N 3.42Å; E4-E8 WeakPolarHBondContact O-CG 3.49Å; E4-E8 PolarHBondContact O-N 3.28Å |
| 5 | N | 61.9 | Low | 73.9 | Confident | 74 Ų | 74 | 116.3 Ų | 116.3 | 40% | 0.396 | 59% | 0.586 | S | S | . | * | H | α-helix | trans | -70.2 | -27 | 177.9 | -68 | 18.6 | 0 | 0 | 0 | 112.3 | S2 E3 L9 | S2-N5 PolarHBondContact O-N 3.05Å; S2-N5 PolarHBondContact OG-OD1 3.01Å; E3-N5 PolarHBondContact O-N 3.25Å; N5-L9 WeakPolarHBondContact O-CB 3.4Å; N5-L9 PolarHBondContact O-N 2.73Å; N5-L9 VanDerWaalsContact O-N 3.15Å |
| 6 | A | 72.3 | Confident | 74.9 | Confident | 57 Ų | 57 | 113.8 Ų | 113.8 | 47% | 0.471 | 58% | 0.578 | S | S | . | * | H | α-helix | trans | -78.6 | -29.1 | 177.7 | 0 | 0 | 0 | 0 | 0 | 111.6 | E3 E4 K10 | E3-A6 WeakPolarHBondContact O-CB 3.44Å; E3-A6 PolarHBondContact O-N 3.37Å; E3-A6 VanDerWaalsContact O-N 3.09Å; E4-A6 VanDerWaalsContact C-N 3.29Å; E4-A6 PolarHBondContact O-N 3.09Å; A6-K10 WeakPolarHBondContact O-CG 3.49Å; A6-K10 PolarHBondContact O-N 3.07Å |
| 7 | E | 74.7 | Confident | 75.8 | Confident | 127 Ų | 127 | 115.1 Ų | 115.1 | 59% | 0.593 | 58% | 0.579 | S | S | * | * | H | α-helix | trans | -78.2 | -40.8 | 176 | -161 | 150.1 | -153.8 | 0 | 0 | 111.5 | E3 E4 L9 K10 Q11 | E3-E7 PolarHBondContact O-N 2.98Å; E4-E7 PolarHBondContact O-N 3.42Å; E7-L9 VanDerWaalsContact C-N 3.35Å; E7-L9 PolarHBondContact O-N 2.97Å; E7-K10 PolarHBondContact O-N 3.12Å; E7-Q11 WeakPolarHBondContact O-CG 3.49Å; E7-Q11 PolarHBondContact O-N 3.29Å |
| 8 | E | 78.3 | Confident | 76.6 | Confident | 105 Ų | 105 | 115.2 Ų | 115.2 | 49% | 0.491 | 58% | 0.581 | S | S | . | * | H | α-helix | trans | -60.2 | -41.6 | 169.5 | -75.4 | -176.6 | 163.7 | 0 | 0 | 112.2 | E4 K10 Q11 L12 | E4-E8 WeakPolarHBondContact O-CG 3.49Å; E4-E8 PolarHBondContact O-N 3.28Å; E8-K10 VanDerWaalsContact C-N 3.33Å; E8-K10 PolarHBondContact O-N 3.36Å; E8-Q11 PolarHBondContact O-N 2.91Å; E8-L12 WeakPolarHBondContact O-CB 3.46Å; E8-L12 WeakPolarHBondContact O-CG 3.46Å; E8-L12 PolarHBondContact O-N 2.94Å |
| 9 | L | 78.7 | Confident | 77.3 | Confident | 106 Ų | 106 | 113.5 Ų | 113.5 | 56% | 0.555 | 57% | 0.573 | S | S | * | * | H | α-helix | trans | -60.7 | -41.2 | 175.6 | -112.6 | 152.6 | 0 | 0 | 0 | 112.3 | N5 E7 L12 E13 | N5-L9 WeakPolarHBondContact O-CB 3.4Å; N5-L9 PolarHBondContact O-N 2.73Å; N5-L9 VanDerWaalsContact O-N 3.15Å; E7-L9 VanDerWaalsContact C-N 3.35Å; E7-L9 PolarHBondContact O-N 2.97Å; L9-L12 PolarHBondContact O-N 3.25Å; L9-E13 WeakPolarHBondContact O-CB 3.47Å; L9-E13 WeakPolarHBondContact O-CG 3.42Å; L9-E13 PolarHBondContact O-N 3.09Å |
| 10 | K | 80.6 | Confident | 77.8 | Confident | 146 Ų | 146 | 113.4 Ų | 113.4 | 64% | 0.635 | 57% | 0.571 | S | S | * | * | H | α-helix | trans | -67.8 | -37.2 | 176.6 | -80.3 | -179.3 | 178.5 | 177.6 | 0 | 112.5 | A6 E7 E8 T14 | A6-K10 WeakPolarHBondContact O-CG 3.49Å; A6-K10 PolarHBondContact O-N 3.07Å; E7-K10 PolarHBondContact O-N 3.12Å; E8-K10 VanDerWaalsContact C-N 3.33Å; E8-K10 PolarHBondContact O-N 3.36Å; K10-T14 PolarHBondContact O-N 3.42Å; K10-T14 PolarHBondContact O-OG1 3.15Å |
| 11 | Q | 86.4 | Confident | 78.3 | Confident | 127 Ų | 127 | 110.7 Ų | 110.7 | 59% | 0.593 | 57% | 0.566 | S | S | * | * | H | α-helix | trans | -65.2 | -46.5 | 176 | -72.7 | 179.3 | 8.8 | 0 | 0 | 110.8 | E7 E8 E13 T14 E15 | E7-Q11 WeakPolarHBondContact O-CG 3.49Å; E7-Q11 PolarHBondContact O-N 3.29Å; E8-Q11 PolarHBondContact O-N 2.91Å; Q11-E13 PolarHBondContact O-N 3.45Å; Q11-T14 WeakPolarHBondContact O-CB 3.38Å; Q11-T14 PolarHBondContact O-N 3.26Å; Q11-T14 VanDerWaalsContact O-N 3.09Å; Q11-E15 PolarHBondContact O-N 3.49Å |
| 12 | L | 85.6 | Confident | 80 | Confident | 102 Ų | 102 | 105.1 Ų | 105.1 | 53% | 0.534 | 54% | 0.537 | S | S | . | . | H | α-helix | trans | -62 | -41.3 | 175.9 | -74.2 | 165.3 | 0 | 0 | 0 | 112.3 | E8 L9 T14 E15 V16 | E8-L12 WeakPolarHBondContact O-CB 3.46Å; E8-L12 WeakPolarHBondContact O-CG 3.46Å; E8-L12 PolarHBondContact O-N 2.94Å; L9-L12 PolarHBondContact O-N 3.25Å; L12-T14 VanDerWaalsContact C-N 3.26Å; L12-T14 PolarHBondContact O-N 2.92Å; L12-E15 PolarHBondContact O-N 3.18Å; L12-V16 WeakPolarHBondContact O-CB 3.23Å; L12-V16 VanDerWaalsContact O-CG2 3.23Å; L12-V16 WeakPolarHBondContact O-CG2 3.36Å; L12-V16 PolarHBondContact O-N 3.02Å |
| 13 | E | 86.9 | Confident | 81.3 | Confident | 108 Ų | 108 | 106.6 Ų | 106.6 | 51% | 0.505 | 54% | 0.539 | S | S | . | . | H | α-helix | trans | -62.2 | -34 | 174.3 | -81.2 | -176.3 | -179.2 | 0 | 0 | 112.7 | L9 Q11 K17 | L9-E13 WeakPolarHBondContact O-CB 3.47Å; L9-E13 WeakPolarHBondContact O-CG 3.42Å; L9-E13 PolarHBondContact O-N 3.09Å; Q11-E13 PolarHBondContact O-N 3.45Å; E13-K17 VanDerWaalsContact O-CG 3.3Å; E13-K17 WeakPolarHBondContact O-CG 3.5Å; E13-K17 PolarHBondContact O-N 3.02Å |
| 14 | T | 89.6 | Confident | 82.7 | Confident | 82 Ų | 82 | 102.4 Ų | 102.4 | 50% | 0.503 | 52% | 0.522 | S | S | . | . | H | α-helix | trans | -73.5 | -41.7 | 178.2 | -51.7 | 0 | 0 | 0 | 0 | 110.8 | K10 Q11 L12 K17 L18 | K10-T14 PolarHBondContact O-N 3.42Å; K10-T14 PolarHBondContact O-OG1 3.15Å; Q11-T14 WeakPolarHBondContact O-CB 3.38Å; Q11-T14 PolarHBondContact O-N 3.26Å; Q11-T14 VanDerWaalsContact O-N 3.09Å; L12-T14 VanDerWaalsContact C-N 3.26Å; L12-T14 PolarHBondContact O-N 2.92Å; T14-K17 PolarHBondContact O-N 3.36Å; T14-L18 WeakPolarHBondContact O-CG 3.47Å; T14-L18 PolarHBondContact O-N 2.87Å |
| 15 | E | 89.8 | Confident | 83.9 | Confident | 112 Ų | 112 | 98.6 Ų | 98.6 | 52% | 0.523 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -65.5 | -42.3 | 176.5 | -170.1 | 172.8 | -176.3 | 0 | 0 | 111.8 | Q11 L12 K17 L18 L19 | Q11-E15 PolarHBondContact O-N 3.49Å; L12-E15 PolarHBondContact O-N 3.18Å; E15-K17 VanDerWaalsContact C-N 3.29Å; E15-K17 PolarHBondContact O-N 3.29Å; E15-L18 PolarHBondContact O-N 3.34Å; E15-L19 HydrophobicContact CG-CD1 4.11Å; E15-L19 WeakPolarHBondContact O-CB 3.47Å; E15-L19 WeakPolarHBondContact O-CG 3.3Å; E15-L19 PolarHBondContact O-N 3.36Å |
| 16 | V | 89.4 | Confident | 84.7 | Confident | 75 Ų | 75 | 99.1 Ų | 99.1 | 46% | 0.455 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -59.4 | -41.2 | 174 | 168.6 | 0 | 0 | 0 | 0 | 111.1 | L12 Q20 | L12-V16 WeakPolarHBondContact O-CB 3.23Å; L12-V16 VanDerWaalsContact O-CG2 3.23Å; L12-V16 WeakPolarHBondContact O-CG2 3.36Å; L12-V16 PolarHBondContact O-N 3.02Å; V16-Q20 HydrophobicContact CG1-CG 4.38Å; V16-Q20 VanDerWaalsContact O-CB 3.3Å; V16-Q20 WeakPolarHBondContact O-CB 3.2Å; V16-Q20 WeakPolarHBondContact O-CG 3.4Å; V16-Q20 PolarHBondContact O-N 2.91Å |
| 17 | K | 90.1 | Very high | 84.5 | Confident | 136 Ų | 136 | 101.4 Ų | 101.4 | 59% | 0.591 | 52% | 0.516 | S | S | * | . | H | α-helix | trans | -66.4 | -38.8 | 176.9 | -75.8 | 173.8 | -173.8 | 172 | 0 | 112.5 | E13 T14 E15 A21 | E13-K17 VanDerWaalsContact O-CG 3.3Å; E13-K17 WeakPolarHBondContact O-CG 3.5Å; E13-K17 PolarHBondContact O-N 3.02Å; T14-K17 PolarHBondContact O-N 3.36Å; E15-K17 VanDerWaalsContact C-N 3.29Å; E15-K17 PolarHBondContact O-N 3.29Å; K17-A21 PolarHBondContact O-N 3.2Å |
| 18 | L | 91.6 | Very high | 84.3 | Confident | 117 Ų | 117 | 101 Ų | 101 | 61% | 0.613 | 51% | 0.514 | S | S | * | . | H | α-helix | trans | -66.2 | -47.1 | 176.2 | -76.2 | 168.1 | 0 | 0 | 0 | 111.4 | T14 E15 Q20 A21 E22 | T14-L18 WeakPolarHBondContact O-CG 3.47Å; T14-L18 PolarHBondContact O-N 2.87Å; E15-L18 PolarHBondContact O-N 3.34Å; L18-Q20 VanDerWaalsContact C-N 3.31Å; L18-Q20 PolarHBondContact O-N 3.39Å; L18-A21 WeakPolarHBondContact O-CB 3.42Å; L18-A21 PolarHBondContact O-N 3.44Å; L18-A21 VanDerWaalsContact O-N 3.15Å; L18-E22 PolarHBondContact O-N 2.85Å |
| 19 | L | 88.5 | Confident | 83.8 | Confident | 84 Ų | 84 | 102.3 Ų | 102.3 | 44% | 0.44 | 52% | 0.52 | S | S | . | . | H | α-helix | trans | -63.5 | -37.4 | 176.7 | -70.6 | 171.3 | 0 | 0 | 0 | 111.8 | E15 E22 I23 | E15-L19 HydrophobicContact CG-CD1 4.11Å; E15-L19 WeakPolarHBondContact O-CB 3.47Å; E15-L19 WeakPolarHBondContact O-CG 3.3Å; E15-L19 PolarHBondContact O-N 3.36Å; L19-E22 PolarHBondContact O-N 2.87Å; L19-I23 WeakPolarHBondContact O-CB 3.43Å; L19-I23 WeakPolarHBondContact O-CD1 3.5Å; L19-I23 WeakPolarHBondContact O-CG1 3.3Å; L19-I23 PolarHBondContact O-N 2.89Å |
| 20 | Q | 87.9 | Confident | 82.8 | Confident | 111 Ų | 111 | 104.6 Ų | 104.6 | 52% | 0.519 | 52% | 0.521 | S | S | . | . | H | α-helix | trans | -63.1 | -42.1 | 172.9 | -78.6 | 173.2 | -10.3 | 0 | 0 | 111.9 | V16 L18 I23 I24 | V16-Q20 HydrophobicContact CG1-CG 4.38Å; V16-Q20 VanDerWaalsContact O-CB 3.3Å; V16-Q20 WeakPolarHBondContact O-CB 3.2Å; V16-Q20 WeakPolarHBondContact O-CG 3.4Å; V16-Q20 PolarHBondContact O-N 2.91Å; L18-Q20 VanDerWaalsContact C-N 3.31Å; L18-Q20 PolarHBondContact O-N 3.39Å; Q20-I23 PolarHBondContact O-N 3.15Å; Q20-I24 WeakPolarHBondContact O-CB 3.34Å; Q20-I24 WeakPolarHBondContact O-CD1 3.34Å; Q20-I24 WeakPolarHBondContact O-CG1 3.25Å; Q20-I24 PolarHBondContact O-N 2.83Å |
| 21 | A | 88.3 | Confident | 81.3 | Confident | 57 Ų | 57 | 103.2 Ų | 103.2 | 47% | 0.471 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -65.1 | -39.5 | 175.7 | 0 | 0 | 0 | 0 | 0 | 112 | K17 L18 I24 A25 | K17-A21 PolarHBondContact O-N 3.2Å; L18-A21 WeakPolarHBondContact O-CB 3.42Å; L18-A21 PolarHBondContact O-N 3.44Å; L18-A21 VanDerWaalsContact O-N 3.15Å; A21-I24 PolarHBondContact O-N 3.42Å; A21-A25 WeakPolarHBondContact O-CB 3.18Å; A21-A25 PolarHBondContact O-N 2.88Å |
| 22 | E | 87.4 | Confident | 79.5 | Confident | 113 Ų | 113 | 101.1 Ų | 101.1 | 53% | 0.528 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -67.3 | -41.3 | 176 | -173.3 | 168.8 | -170.3 | 0 | 0 | 111.9 | L18 L19 I24 A25 L26 | L18-E22 PolarHBondContact O-N 2.85Å; L19-E22 PolarHBondContact O-N 2.87Å; E22-I24 VanDerWaalsContact C-N 3.34Å; E22-I24 PolarHBondContact O-N 3Å; E22-A25 PolarHBondContact O-N 3.07Å; E22-L26 HydrophobicContact CG-CD1 4.01Å; E22-L26 HydrophobicContact CG-CG 4.39Å; E22-L26 WeakPolarHBondContact O-CB 3.21Å; E22-L26 VanDerWaalsContact O-CG 3.25Å; E22-L26 WeakPolarHBondContact O-CG 3.27Å; E22-L26 PolarHBondContact O-N 3.28Å |
| 23 | I | 80.7 | Confident | 77.5 | Confident | 91 Ų | 91 | 99.9 Ų | 99.9 | 47% | 0.467 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -61.7 | -43.1 | 173.8 | -70.9 | 165.2 | 0 | 0 | 0 | 110.7 | L19 Q20 L26 Q27 | L19-I23 WeakPolarHBondContact O-CB 3.43Å; L19-I23 WeakPolarHBondContact O-CD1 3.5Å; L19-I23 WeakPolarHBondContact O-CG1 3.3Å; L19-I23 PolarHBondContact O-N 2.89Å; Q20-I23 PolarHBondContact O-N 3.15Å; I23-L26 PolarHBondContact O-N 3.47Å; I23-Q27 HydrophobicContact CG2-CG 4.28Å; I23-Q27 VanDerWaalsContact O-CB 3.27Å; I23-Q27 WeakPolarHBondContact O-CB 3.41Å; I23-Q27 WeakPolarHBondContact O-CG 3.46Å; I23-Q27 PolarHBondContact O-N 2.85Å |
| 24 | I | 87.1 | Confident | 75.1 | Confident | 89 Ų | 89 | 103.9 Ų | 103.9 | 46% | 0.456 | 52% | 0.521 | S | S | . | . | H | α-helix | trans | -62.6 | -45 | 176.5 | -70.2 | 164.1 | 0 | 0 | 0 | 110.5 | Q20 A21 E22 Q27 Q28 | Q20-I24 WeakPolarHBondContact O-CB 3.34Å; Q20-I24 WeakPolarHBondContact O-CD1 3.34Å; Q20-I24 WeakPolarHBondContact O-CG1 3.25Å; Q20-I24 PolarHBondContact O-N 2.83Å; A21-I24 PolarHBondContact O-N 3.42Å; E22-I24 VanDerWaalsContact C-N 3.34Å; E22-I24 PolarHBondContact O-N 3Å; I24-Q27 PolarHBondContact O-N 3.4Å; I24-Q28 WeakPolarHBondContact O-CB 3.21Å; I24-Q28 PolarHBondContact O-N 3.28Å |
| 25 | A | 85.6 | Confident | 72.9 | Confident | 51 Ų | 51 | 105.9 Ų | 105.9 | 42% | 0.421 | 52% | 0.524 | S | S | . | . | H | α-helix | trans | -63.5 | -42 | 177.6 | 0 | 0 | 0 | 0 | 0 | 112.1 | A21 E22 Q28 Q29 | A21-A25 WeakPolarHBondContact O-CB 3.18Å; A21-A25 PolarHBondContact O-N 2.88Å; E22-A25 PolarHBondContact O-N 3.07Å; A25-Q28 PolarHBondContact O-N 2.82Å; A25-Q29 WeakPolarHBondContact O-CB 3.5Å; A25-Q29 PolarHBondContact O-N 3.4Å |
| 26 | L | 78.6 | Confident | 70.5 | Confident | 86 Ų | 86 | 103.3 Ų | 103.3 | 45% | 0.45 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -69.1 | -33.5 | 175.9 | -71.9 | 171.5 | 0 | 0 | 0 | 112.2 | E22 I23 R30 | E22-L26 HydrophobicContact CG-CD1 4.01Å; E22-L26 HydrophobicContact CG-CG 4.39Å; E22-L26 WeakPolarHBondContact O-CB 3.21Å; E22-L26 VanDerWaalsContact O-CG 3.25Å; E22-L26 WeakPolarHBondContact O-CG 3.27Å; E22-L26 PolarHBondContact O-N 3.28Å; I23-L26 PolarHBondContact O-N 3.47Å; L26-R30 VanDerWaalsContact O-CB 3.26Å; L26-R30 WeakPolarHBondContact O-CB 3.44Å; L26-R30 PolarHBondContact O-N 2.97Å |
| 27 | Q | 69.5 | Low | 68.2 | Low | 105 Ų | 105 | 103.3 Ų | 103.3 | 49% | 0.491 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -69.3 | -41 | 173.3 | -78.4 | 174.9 | -16 | 0 | 0 | 111.3 | I23 I24 R30 Q31 | I23-Q27 HydrophobicContact CG2-CG 4.28Å; I23-Q27 VanDerWaalsContact O-CB 3.27Å; I23-Q27 WeakPolarHBondContact O-CB 3.41Å; I23-Q27 WeakPolarHBondContact O-CG 3.46Å; I23-Q27 PolarHBondContact O-N 2.85Å; I24-Q27 PolarHBondContact O-N 3.4Å; Q27-R30 PolarHBondContact O-N 2.8Å; Q27-Q31 WeakPolarHBondContact O-CB 3.41Å; Q27-Q31 PolarHBondContact O-N 3.47Å |
| 28 | Q | 70.5 | Confident | 65.7 | Low | 119 Ų | 119 | 100.4 Ų | 100.4 | 56% | 0.556 | 51% | 0.511 | S | S | * | . | H | α-helix | trans | -64.8 | -44.8 | 172.5 | -81.9 | 166 | -28.8 | 0 | 0 | 111.6 | I24 A25 R30 Q31 D32 | I24-Q28 WeakPolarHBondContact O-CB 3.21Å; I24-Q28 PolarHBondContact O-N 3.28Å; A25-Q28 PolarHBondContact O-N 2.82Å; Q28-R30 VanDerWaalsContact C-N 3.26Å; Q28-R30 PolarHBondContact O-N 2.58Å; Q28-Q31 WeakPolarHBondContact O-CB 3.37Å; Q28-Q31 PolarHBondContact O-N 2.8Å; Q28-Q31 VanDerWaalsContact O-N 3.16Å; Q28-D32 WeakPolarHBondContact O-CB 3.29Å; Q28-D32 PolarHBondContact O-N 2.91Å |
| 29 | Q | 67.4 | Low | 63.3 | Low | 131 Ų | 131 | 99.6 Ų | 99.6 | 61% | 0.612 | 51% | 0.51 | S | S | * | . | H | α-helix | trans | -61.5 | -35.5 | 174.6 | -172.5 | -179.1 | 5.5 | 0 | 0 | 112.3 | A25 S33 | A25-Q29 WeakPolarHBondContact O-CB 3.5Å; A25-Q29 PolarHBondContact O-N 3.4Å; Q29-S33 VanDerWaalsContact O-CB 3.29Å; Q29-S33 WeakPolarHBondContact O-CB 3.49Å; Q29-S33 PolarHBondContact O-N 2.81Å |
| 30 | R | 57.4 | Low | 61.1 | Low | 154 Ų | 154 | 102 Ų | 102 | 58% | 0.581 | 52% | 0.52 | S | S | * | . | H | α-helix | trans | -69.9 | -44.2 | 173.6 | -166.6 | -165.3 | -50.7 | -169.8 | 2.2 | 111.2 | L26 Q27 Q28 S33 W34 | L26-R30 VanDerWaalsContact O-CB 3.26Å; L26-R30 WeakPolarHBondContact O-CB 3.44Å; L26-R30 PolarHBondContact O-N 2.97Å; Q27-R30 PolarHBondContact O-N 2.8Å; Q28-R30 VanDerWaalsContact C-N 3.26Å; Q28-R30 PolarHBondContact O-N 2.58Å; R30-S33 CarbonylContact O-C 3.58Å; R30-S33 WeakPolarHBondContact O-CA 3.47Å; R30-S33 VanDerWaalsContact O-CB 3.28Å; R30-S33 WeakPolarHBondContact O-CB 3.35Å; R30-S33 PolarHBondContact O-N 2.83Å; R30-S33 VanDerWaalsContact O-N 3.11Å; R30-W34 PolarHBondContact O-N 2.93Å |
| 31 | Q | 50.2 | Low | 59.2 | Low | 117 Ų | 117 | 100.6 Ų | 100.6 | 55% | 0.547 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -60.1 | -47.6 | 176.2 | -169 | 88.3 | 17.9 | 0 | 0 | 110.6 | Q27 Q28 S33 W34 E35 | Q27-Q31 WeakPolarHBondContact O-CB 3.41Å; Q27-Q31 PolarHBondContact O-N 3.47Å; Q28-Q31 WeakPolarHBondContact O-CB 3.37Å; Q28-Q31 PolarHBondContact O-N 2.8Å; Q28-Q31 VanDerWaalsContact O-N 3.16Å; Q31-S33 VanDerWaalsContact C-N 3.25Å; Q31-S33 PolarHBondContact O-N 3.27Å; Q31-W34 CarbonylContact O-C 3.54Å; Q31-W34 WeakPolarHBondContact O-CA 3.37Å; Q31-W34 PolarHBondContact O-N 3.23Å; Q31-E35 PolarHBondContact O-N 3.31Å |
| 32 | D | 48.5 | Very low | 57.2 | Low | 84 Ų | 84 | 109 Ų | 109 | 45% | 0.449 | 53% | 0.531 | S | S | . | . | H | α-helix | trans | -59.8 | -38.3 | 172.9 | -68.1 | -18.1 | 0 | 0 | 0 | 110.5 | Q28 W34 E35 N36 | Q28-D32 WeakPolarHBondContact O-CB 3.29Å; Q28-D32 PolarHBondContact O-N 2.91Å; D32-W34 VanDerWaalsContact C-N 3.32Å; D32-W34 PolarHBondContact O-N 3.34Å; D32-E35 PolarHBondContact O-N 3.32Å; D32-N36 WeakPolarHBondContact O-CB 3.47Å; D32-N36 VanDerWaalsContact O-CG 3.3Å; D32-N36 PolarHBondContact O-N 3.16Å; D32-N36 PolarHBondContact O-ND2 2.99Å |
| 33 | S | 42.8 | Very low | 55.9 | Low | 76 Ų | 76 | 105.4 Ų | 105.4 | 53% | 0.531 | 53% | 0.525 | S | S | . | . | H | α-helix | trans | -64.8 | -33.8 | 174.3 | -171.9 | 0 | 0 | 0 | 0 | 112.7 | Q29 R30 Q31 V37 | Q29-S33 VanDerWaalsContact O-CB 3.29Å; Q29-S33 WeakPolarHBondContact O-CB 3.49Å; Q29-S33 PolarHBondContact O-N 2.81Å; R30-S33 CarbonylContact O-C 3.58Å; R30-S33 WeakPolarHBondContact O-CA 3.47Å; R30-S33 VanDerWaalsContact O-CB 3.28Å; R30-S33 WeakPolarHBondContact O-CB 3.35Å; R30-S33 PolarHBondContact O-N 2.83Å; R30-S33 VanDerWaalsContact O-N 3.11Å; Q31-S33 VanDerWaalsContact C-N 3.25Å; Q31-S33 PolarHBondContact O-N 3.27Å; S33-V37 VanDerWaalsContact O-CG2 3.31Å; S33-V37 WeakPolarHBondContact O-CG2 3.26Å; S33-V37 PolarHBondContact O-N 2.73Å |
| 34 | W | 36.8 | Very low | 54.5 | Low | 192 Ų | 192 | 106.2 Ų | 106.2 | 73% | 0.727 | 53% | 0.527 | S | S | * | . | H | α-helix | trans | -77.4 | -38.6 | 175.8 | -80.7 | 101.5 | 0 | 0 | 0 | 112.3 | R30 Q31 D32 N36 V37 | R30-W34 PolarHBondContact O-N 2.93Å; Q31-W34 CarbonylContact O-C 3.54Å; Q31-W34 WeakPolarHBondContact O-CA 3.37Å; Q31-W34 PolarHBondContact O-N 3.23Å; D32-W34 VanDerWaalsContact C-N 3.32Å; D32-W34 PolarHBondContact O-N 3.34Å; W34-N36 VanDerWaalsContact C-N 3.3Å; W34-N36 PolarHBondContact O-N 2.81Å; W34-V37 PolarHBondContact O-N 3.09Å |
| 35 | E | 42.5 | Very low | 53 | Low | 123 Ų | 123 | 104.4 Ų | 104.4 | 58% | 0.575 | 52% | 0.517 | S | S | * | . | H | α-helix | trans | -69 | -28.7 | 174.3 | -71.4 | -178.7 | -172.7 | 0 | 0 | 111.9 | Q31 D32 V37 S38 | Q31-E35 PolarHBondContact O-N 3.31Å; D32-E35 PolarHBondContact O-N 3.32Å; E35-V37 VanDerWaalsContact C-N 3.35Å; E35-S38 WeakPolarHBondContact O-CB 3.25Å; E35-S38 PolarHBondContact O-N 2.78Å |
| 36 | N | 41.1 | Very low | 51.5 | Low | 58 Ų | 58 | 108 Ų | 108 | 31% | 0.31 | 53% | 0.525 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -83.9 | -1.3 | 173.3 | -75.1 | -68.5 | 0 | 0 | 0 | 114.3 | D32 W34 S38 T96 | D32-N36 WeakPolarHBondContact O-CB 3.47Å; D32-N36 VanDerWaalsContact O-CG 3.3Å; D32-N36 PolarHBondContact O-N 3.16Å; D32-N36 PolarHBondContact O-ND2 2.99Å; W34-N36 VanDerWaalsContact C-N 3.3Å; W34-N36 PolarHBondContact O-N 2.81Å; N36-S38 PolarHBondContact O-N 2.85Å; N36-S38 VanDerWaalsContact O-N 3.12Å; N36-T96 PolarHBondContact OD1-OG1 3.33Å |
| 37 | V | 39.5 | Very low | 50.4 | Low | 75 Ų | 75 | 109.2 Ų | 109.2 | 46% | 0.455 | 53% | 0.532 | S | S | . | . | trans | -75.6 | 24.8 | 156.5 | -164.4 | 0 | 0 | 0 | 0 | 109.9 | S33 W34 E35 V39 F41 | S33-V37 VanDerWaalsContact O-CG2 3.31Å; S33-V37 WeakPolarHBondContact O-CG2 3.26Å; S33-V37 PolarHBondContact O-N 2.73Å; W34-V37 PolarHBondContact O-N 3.09Å; E35-V37 VanDerWaalsContact C-N 3.35Å; V37-V39 PolarHBondContact O-N 3.03Å; V37-F41 VanDerWaalsContact O-CE2 3.29Å; V37-F41 WeakPolarHBondContact O-CE2 3.08Å | ||
| 38 | S | 38.7 | Very low | 49.8 | Very low | 76 Ų | 76 | 104.7 Ų | 104.7 | 53% | 0.531 | 51% | 0.512 | S | S | . | . | trans | -69.8 | 69 | 162.8 | 75.2 | 0 | 0 | 0 | 0 | 109.8 | E35 N36 Q40 | E35-S38 WeakPolarHBondContact O-CB 3.25Å; E35-S38 PolarHBondContact O-N 2.78Å; N36-S38 PolarHBondContact O-N 2.85Å; N36-S38 VanDerWaalsContact O-N 3.12Å; S38-Q40 PolarHBondContact O-N 2.76Å | ||
| 39 | V | 41 | Very low | 49.1 | Very low | 99 Ų | 99 | 104 Ų | 104 | 60% | 0.6 | 51% | 0.512 | S | S | * | . | trans | -50.7 | 126.3 | 131.7 | -167.1 | 0 | 0 | 0 | 0 | 103.6 | V37 F41 | V37-V39 PolarHBondContact O-N 3.03Å; V39-F41 HydrophobicContact CB-CE1 4.35Å; V39-F41 WeakPolarHBondContact O-CD2 3.4Å; V39-F41 WeakPolarHBondContact O-CG 3.3Å; V39-F41 PolarHBondContact O-N 2.86Å | ||
| 40 | Q | 42.4 | Very low | 48.5 | Very low | 136 Ų | 136 | 101.1 Ų | 101.1 | 64% | 0.636 | 51% | 0.511 | S | S | * | . | trans | -56.6 | 83.8 | 178.3 | -117.1 | 173.1 | -13.7 | 0 | 0 | 108.2 | S38 R42 | S38-Q40 PolarHBondContact O-N 2.76Å; Q40-R42 PolarHBondContact O-N 2.85Å | ||
| 41 | F | 46.8 | Very low | 48.4 | Very low | 80 Ų | 80 | 95.7 Ų | 95.7 | 35% | 0.351 | 49% | 0.492 | S | S | . | . | trans | -65 | 113.5 | -179.7 | -69.7 | -59.2 | 0 | 0 | 0 | 104.9 | V37 V39 M45 | V37-F41 VanDerWaalsContact O-CE2 3.29Å; V37-F41 WeakPolarHBondContact O-CE2 3.08Å; V39-F41 HydrophobicContact CB-CE1 4.35Å; V39-F41 WeakPolarHBondContact O-CD2 3.4Å; V39-F41 WeakPolarHBondContact O-CG 3.3Å; V39-F41 PolarHBondContact O-N 2.86Å; F41-M45 HydrophobicContact CB-CB 4.28Å; F41-M45 HydrophobicContact CB-CE 4.41Å; F41-M45 HydrophobicContact CB-CG 4.22Å; F41-M45 HydrophobicContact CD1-CE 3.09Å; F41-M45 HydrophobicContact CD1-CG 4.12Å; F41-M45 HydrophobicContact CD1-SD 3.6Å; F41-M45 VanDerWaalsContact CD1-SD 3.6Å; F41-M45 HydrophobicContact CE1-CE 3.42Å; F41-M45 VanDerWaalsContact CE1-CE 3.42Å; F41-M45 HydrophobicContact CE1-SD 3.61Å; F41-M45 HydrophobicContact CG-CE 3.97Å; F41-M45 HydrophobicContact CG-CG 4.08Å; F41-M45 HydrophobicContact CG-SD 4.13Å; F41-M45 HydrophobicContact CZ-SD 4.21Å | ||
| 42 | R | 46.8 | Very low | 48.6 | Very low | 233 Ų | 233 | 95.7 Ų | 95.7 | 88% | 0.879 | 50% | 0.499 | S | S | * | . | trans | -111 | 129.7 | -175.1 | -170 | -175.1 | -101.1 | -108.1 | 3.2 | 106.6 | Q40 | Q40-R42 PolarHBondContact O-N 2.85Š| ||
| 43 | G | 59.4 | Low | 48.8 | Very low | 39 Ų | 39 | 97.4 Ų | 97.4 | 40% | 0.402 | 52% | 0.516 | S | S | . | . | S | Bend | trans | 94.4 | -137 | 178.6 | 0 | 0 | 0 | 0 | 0 | 113.3 | M45 Q46 | G43-M45 VanDerWaalsContact C-N 3.28Å; G43-M45 PolarHBondContact O-N 2.94Å; G43-Q46 WeakPolarHBondContact O-CB 3.33Å; G43-Q46 PolarHBondContact O-N 2.82Å |
| 44 | Q | 52.3 | Low | 49.3 | Very low | 107 Ų | 107 | 95.7 Ų | 95.7 | 50% | 0.5 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -65.9 | -26.1 | -161.5 | -56.8 | -178.1 | 38.2 | 0 | 0 | 113.8 | Q46 D47 A48 | Q44-Q46 VanDerWaalsContact C-N 3.34Å; Q44-D47 WeakPolarHBondContact O-CB 3.44Å; Q44-D47 PolarHBondContact O-N 2.83Å; Q44-A48 WeakPolarHBondContact O-CB 3.42Å; Q44-A48 PolarHBondContact O-N 2.76Å |
| 45 | M | 54.8 | Low | 50 | Low | 51 Ų | 51 | 96 Ų | 96 | 25% | 0.251 | 52% | 0.52 | S | S | . | . | H | α-helix | trans | -71.4 | -26.1 | 175.8 | -169.6 | 153.4 | 28.7 | 0 | 0 | 113.4 | F41 G43 L49 | F41-M45 HydrophobicContact CB-CB 4.28Å; F41-M45 HydrophobicContact CB-CE 4.41Å; F41-M45 HydrophobicContact CB-CG 4.22Å; F41-M45 HydrophobicContact CD1-CE 3.09Å; F41-M45 HydrophobicContact CD1-CG 4.12Å; F41-M45 HydrophobicContact CD1-SD 3.6Å; F41-M45 VanDerWaalsContact CD1-SD 3.6Å; F41-M45 HydrophobicContact CE1-CE 3.42Å; F41-M45 VanDerWaalsContact CE1-CE 3.42Å; F41-M45 HydrophobicContact CE1-SD 3.61Å; F41-M45 HydrophobicContact CG-CE 3.97Å; F41-M45 HydrophobicContact CG-CG 4.08Å; F41-M45 HydrophobicContact CG-SD 4.13Å; F41-M45 HydrophobicContact CZ-SD 4.21Å; G43-M45 VanDerWaalsContact C-N 3.28Å; G43-M45 PolarHBondContact O-N 2.94Å; M45-L49 WeakPolarHBondContact O-CG 3.3Å; M45-L49 PolarHBondContact O-N 2.89Å |
| 46 | Q | 55.6 | Low | 50.3 | Low | 126 Ų | 126 | 93.8 Ų | 93.8 | 59% | 0.589 | 52% | 0.516 | S | S | * | . | H | α-helix | trans | -73.6 | -38.1 | 169.9 | -166.9 | 173.4 | 18 | 0 | 0 | 111.1 | G43 Q44 L49 A50 | G43-Q46 WeakPolarHBondContact O-CB 3.33Å; G43-Q46 PolarHBondContact O-N 2.82Å; Q44-Q46 VanDerWaalsContact C-N 3.34Å; Q46-L49 PolarHBondContact O-N 3.15Å; Q46-A50 PolarHBondContact O-N 2.83Å; Q46-A50 VanDerWaalsContact O-N 3.09Å |
| 47 | D | 55.3 | Low | 50.9 | Low | 113 Ų | 113 | 99.3 Ų | 99.3 | 60% | 0.604 | 54% | 0.539 | S | S | * | . | H | α-helix | trans | -67.5 | -36.4 | 175.4 | -63.3 | -29.6 | 0 | 0 | 0 | 111.6 | Q44 A50 F51 | Q44-D47 WeakPolarHBondContact O-CB 3.44Å; Q44-D47 PolarHBondContact O-N 2.83Å; D47-A50 PolarHBondContact O-N 3.37Å; D47-F51 WeakPolarHBondContact O-CB 3.39Å; D47-F51 PolarHBondContact O-N 2.79Å |
| 48 | A | 55.8 | Low | 51.6 | Low | 9 Ų | 9 | 103.1 Ų | 103.1 | 7% | 0.074 | 56% | 0.557 | C | S | . | * | H | α-helix | trans | -67.7 | -39.5 | 174.8 | 0 | 0 | 0 | 0 | 0 | 112.9 | Q44 A50 F51 V52 V63 L67 | Q44-A48 WeakPolarHBondContact O-CB 3.42Å; Q44-A48 PolarHBondContact O-N 2.76Å; A48-A50 VanDerWaalsContact C-N 3.34Å; A48-F51 WeakPolarHBondContact O-CB 3.17Å; A48-F51 PolarHBondContact O-N 2.96Å; A48-V52 WeakPolarHBondContact O-CG2 3.14Å; A48-V52 PolarHBondContact O-N 2.8Å; A48-V63 HydrophobicContact CB-CG1 3.73Å; A48-L67 HydrophobicContact CB-CD1 3.92Å; A48-L67 HydrophobicContact CB-CD2 3.83Å; A48-L67 HydrophobicContact CB-CG 4.09Å |
| 49 | L | 55.3 | Low | 52.4 | Low | 105 Ų | 105 | 103.9 Ų | 103.9 | 55% | 0.55 | 56% | 0.555 | S | S | . | * | H | α-helix | trans | -65.8 | -37 | 173.6 | -75.4 | 169 | 0 | 0 | 0 | 112.2 | M45 Q46 F51 C53 | M45-L49 WeakPolarHBondContact O-CG 3.3Å; M45-L49 PolarHBondContact O-N 2.89Å; Q46-L49 PolarHBondContact O-N 3.15Å; L49-F51 VanDerWaalsContact C-N 3.3Å; L49-C53 PolarHBondContact O-N 2.81Å; L49-C53 PolarHBondContact O-SG 2.67Å; L49-C53 VanDerWaalsContact O-SG 3.33Å |
| 50 | A | 55.2 | Low | 53.2 | Low | 71 Ų | 71 | 104.3 Ų | 104.3 | 59% | 0.587 | 55% | 0.55 | S | S | * | * | H | α-helix | trans | -65 | -34.7 | 172.6 | 0 | 0 | 0 | 0 | 0 | 112.1 | Q46 D47 A48 | Q46-A50 PolarHBondContact O-N 2.83Å; Q46-A50 VanDerWaalsContact O-N 3.09Å; D47-A50 PolarHBondContact O-N 3.37Å; A48-A50 VanDerWaalsContact C-N 3.34Å |
| 51 | F | 55.3 | Low | 54.4 | Low | 40 Ų | 40 | 105.3 Ų | 105.3 | 18% | 0.175 | 56% | 0.555 | C | S | . | * | H | α-helix | trans | -71.2 | -43.6 | 176.4 | 177.4 | -95.6 | 0 | 0 | 0 | 113.3 | D47 A48 L49 C53 G54 T56 L59 E60 V63 | D47-F51 WeakPolarHBondContact O-CB 3.39Å; D47-F51 PolarHBondContact O-N 2.79Å; A48-F51 WeakPolarHBondContact O-CB 3.17Å; A48-F51 PolarHBondContact O-N 2.96Å; L49-F51 VanDerWaalsContact C-N 3.3Å; F51-C53 PolarHBondContact O-N 3.14Å; F51-G54 CarbonylContact O-C 3.58Å; F51-G54 PolarHBondContact O-N 2.82Å; F51-G54 VanDerWaalsContact O-O 3.08Å; F51-T56 WeakPolarHBondContact CZ-O 3.36Å; F51-L59 HydrophobicContact CD2-CB 4.44Å; F51-L59 HydrophobicContact CE1-CB 4.48Å; F51-L59 HydrophobicContact CE2-CB 3.28Å; F51-L59 HydrophobicContact CE2-CD1 4.4Å; F51-L59 HydrophobicContact CE2-CD2 4.48Å; F51-L59 HydrophobicContact CE2-CG 4.25Å; F51-L59 VanDerWaalsContact CZ-C 3.48Å; F51-L59 HydrophobicContact CZ-CB 3.3Å; F51-E60 HydrophobicContact CE1-CB 4.19Å; F51-E60 HydrophobicContact CZ-CB 4.49Å; F51-V63 HydrophobicContact CB-CG2 4.45Å; F51-V63 HydrophobicContact CD1-CB 4.07Å; F51-V63 HydrophobicContact CD1-CG1 4.11Å; F51-V63 HydrophobicContact CD1-CG2 3.68Å; F51-V63 HydrophobicContact CD2-CG2 4.25Å; F51-V63 HydrophobicContact CE1-CB 4.26Å; F51-V63 HydrophobicContact CE1-CG2 3.96Å; F51-V63 HydrophobicContact CE2-CG2 4.5Å; F51-V63 HydrophobicContact CG-CG2 3.84Å; F51-V63 HydrophobicContact CZ-CG2 4.35Å |
| 52 | V | 55.2 | Low | 55.5 | Low | 116 Ų | 116 | 104.5 Ų | 104.5 | 70% | 0.703 | 56% | 0.557 | S | S | * | * | H | α-helix | trans | -62.2 | -26.2 | 177.5 | 172.9 | 0 | 0 | 0 | 0 | 111.9 | A48 G54 | A48-V52 WeakPolarHBondContact O-CG2 3.14Å; A48-V52 PolarHBondContact O-N 2.8Å; V52-G54 VanDerWaalsContact C-N 3.25Å; V52-G54 PolarHBondContact O-N 2.78Å |
| 53 | C | 53.3 | Low | 56.8 | Low | 120 Ų | 120 | 94.5 Ų | 94.5 | 81% | 0.811 | 52% | 0.522 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -76.5 | -2.6 | 173.3 | -66.2 | 0 | 0 | 0 | 0 | 114.4 | L49 F51 | L49-C53 PolarHBondContact O-N 2.81Å; L49-C53 PolarHBondContact O-SG 2.67Å; L49-C53 VanDerWaalsContact O-SG 3.33Å; F51-C53 PolarHBondContact O-N 3.14Å |
| 54 | G | 52.8 | Low | 57.5 | Low | 41 Ų | 41 | 96.7 Ų | 96.7 | 42% | 0.423 | 53% | 0.527 | S | S | . | . | S | Bend | trans | -145.6 | 96.2 | -179 | 0 | 0 | 0 | 0 | 0 | 113.4 | F51 V52 T56 | F51-G54 CarbonylContact O-C 3.58Å; F51-G54 PolarHBondContact O-N 2.82Å; F51-G54 VanDerWaalsContact O-O 3.08Å; V52-G54 VanDerWaalsContact C-N 3.25Å; V52-G54 PolarHBondContact O-N 2.78Å; G54-T56 PolarHBondContact O-N 2.82Å |
| 55 | Q | 51.6 | Low | 58.6 | Low | 197 Ų | 197 | 94 Ų | 94 | 92% | 0.921 | 52% | 0.52 | S | S | * | . | trans | -43.4 | 125.8 | -176.3 | -69.4 | 179.3 | -15.8 | 0 | 0 | 116.1 | ||||
| 56 | T | 48.8 | Very low | 59.8 | Low | 78 Ų | 78 | 98.6 Ų | 98.6 | 48% | 0.479 | 54% | 0.535 | S | S | . | . | trans | -160.1 | 122.4 | 144.9 | 21.6 | 0 | 0 | 0 | 0 | 110.6 | F51 G54 D58 | F51-T56 WeakPolarHBondContact CZ-O 3.36Å; G54-T56 PolarHBondContact O-N 2.82Å; T56-D58 PolarHBondContact O-N 3.3Å | ||
| 57 | Q | 53.6 | Low | 60.9 | Low | 173 Ų | 173 | 95.2 Ų | 95.2 | 81% | 0.808 | 52% | 0.52 | S | S | * | . | H | α-helix | trans | -64.7 | -31.8 | -173.4 | -91 | 170.6 | -25.3 | 0 | 0 | 115.1 | L59 E60 | Q57-L59 VanDerWaalsContact C-N 3.32Å; Q57-L59 PolarHBondContact O-N 3.42Å; Q57-E60 WeakPolarHBondContact O-CB 3.38Å; Q57-E60 PolarHBondContact O-N 3.35Å |
| 58 | D | 53.6 | Low | 62.1 | Low | 155 Ų | 155 | 96 Ų | 96 | 83% | 0.829 | 52% | 0.518 | S | S | * | . | H | α-helix | trans | -78.1 | -18.3 | -174.3 | -133.1 | 22.5 | 0 | 0 | 0 | 113 | T56 | T56-D58 PolarHBondContact O-N 3.3Å |
| 59 | L | 55.1 | Low | 63.5 | Low | 92 Ų | 92 | 101.9 Ų | 101.9 | 48% | 0.482 | 54% | 0.544 | S | S | . | . | H | α-helix | trans | -94.5 | -15.9 | 175.2 | -82.3 | 131.5 | 0 | 0 | 0 | 112.3 | F51 Q57 T62 V63 | F51-L59 HydrophobicContact CD2-CB 4.44Å; F51-L59 HydrophobicContact CE1-CB 4.48Å; F51-L59 HydrophobicContact CE2-CB 3.28Å; F51-L59 HydrophobicContact CE2-CD1 4.4Å; F51-L59 HydrophobicContact CE2-CD2 4.48Å; F51-L59 HydrophobicContact CE2-CG 4.25Å; F51-L59 VanDerWaalsContact CZ-C 3.48Å; F51-L59 HydrophobicContact CZ-CB 3.3Å; Q57-L59 VanDerWaalsContact C-N 3.32Å; Q57-L59 PolarHBondContact O-N 3.42Å; L59-T62 PolarHBondContact O-N 2.92Å; L59-V63 WeakPolarHBondContact O-CG2 3.4Å; L59-V63 PolarHBondContact O-N 3.11Å |
| 60 | E | 59.3 | Low | 64.9 | Low | 108 Ų | 108 | 98.4 Ų | 98.4 | 51% | 0.505 | 53% | 0.525 | S | S | . | . | H | α-helix | trans | -64.2 | -44.4 | -178.8 | -166.2 | 175.5 | 177.9 | 0 | 0 | 111.4 | F51 Q57 T62 V63 V64 | F51-E60 HydrophobicContact CE1-CB 4.19Å; F51-E60 HydrophobicContact CZ-CB 4.49Å; Q57-E60 WeakPolarHBondContact O-CB 3.38Å; Q57-E60 PolarHBondContact O-N 3.35Å; E60-T62 VanDerWaalsContact C-N 3.28Å; E60-T62 PolarHBondContact O-N 2.88Å; E60-V63 PolarHBondContact O-N 3.49Å; E60-V64 WeakPolarHBondContact O-CB 3.44Å; E60-V64 WeakPolarHBondContact O-CG2 3.2Å; E60-V64 PolarHBondContact O-N 2.82Å |
| 61 | E | 66.6 | Low | 66.5 | Low | 158 Ų | 158 | 98.6 Ų | 98.6 | 74% | 0.738 | 52% | 0.519 | S | S | * | . | H | α-helix | trans | -63.6 | -34.5 | 176.8 | -168.7 | 172.1 | -171 | 0 | 0 | 112.2 | S65 | E61-S65 WeakPolarHBondContact O-CB 3.31Å; E61-S65 PolarHBondContact O-N 3.47Å; E61-S65 PolarHBondContact O-OG 2.91Å |
| 62 | T | 70.8 | Confident | 68.1 | Low | 62 Ų | 62 | 100.4 Ų | 100.4 | 38% | 0.38 | 53% | 0.528 | S | S | . | . | H | α-helix | trans | -72.9 | -36 | 176.5 | -59.7 | 0 | 0 | 0 | 0 | 112.2 | L59 E60 S65 R66 | L59-T62 PolarHBondContact O-N 2.92Å; E60-T62 VanDerWaalsContact C-N 3.28Å; E60-T62 PolarHBondContact O-N 2.88Å; T62-S65 WeakPolarHBondContact CA-OG 3.41Å; T62-S65 PolarHBondContact O-OG 3.49Å; T62-R66 VanDerWaalsContact O-CG 3.26Å; T62-R66 WeakPolarHBondContact O-CG 3.49Å; T62-R66 PolarHBondContact O-N 2.7Å |
| 63 | V | 72.9 | Confident | 69.9 | Low | 24 Ų | 24 | 100.8 Ų | 100.8 | 15% | 0.145 | 52% | 0.522 | C | S | . | . | H | α-helix | trans | -72.1 | -41.9 | 175.7 | 171.8 | 0 | 0 | 0 | 0 | 110.4 | A48 F51 L59 E60 R66 L67 | A48-V63 HydrophobicContact CB-CG1 3.73Å; F51-V63 HydrophobicContact CB-CG2 4.45Å; F51-V63 HydrophobicContact CD1-CB 4.07Å; F51-V63 HydrophobicContact CD1-CG1 4.11Å; F51-V63 HydrophobicContact CD1-CG2 3.68Å; F51-V63 HydrophobicContact CD2-CG2 4.25Å; F51-V63 HydrophobicContact CE1-CB 4.26Å; F51-V63 HydrophobicContact CE1-CG2 3.96Å; F51-V63 HydrophobicContact CE2-CG2 4.5Å; F51-V63 HydrophobicContact CG-CG2 3.84Å; F51-V63 HydrophobicContact CZ-CG2 4.35Å; L59-V63 WeakPolarHBondContact O-CG2 3.4Å; L59-V63 PolarHBondContact O-N 3.11Å; E60-V63 PolarHBondContact O-N 3.49Å; V63-R66 PolarHBondContact O-N 3.39Å; V63-L67 HydrophobicContact CG1-CD1 4.1Å; V63-L67 HydrophobicContact CG1-CG 4.43Å; V63-L67 WeakPolarHBondContact O-CB 3.28Å; V63-L67 WeakPolarHBondContact O-CG 3.32Å; V63-L67 PolarHBondContact O-N 3.39Å |
| 64 | V | 75 | Confident | 71.6 | Confident | 85 Ų | 85 | 99.3 Ų | 99.3 | 52% | 0.515 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -63.1 | -41.6 | 176.2 | 170.9 | 0 | 0 | 0 | 0 | 111.4 | E60 L67 K68 | E60-V64 WeakPolarHBondContact O-CB 3.44Å; E60-V64 WeakPolarHBondContact O-CG2 3.2Å; E60-V64 PolarHBondContact O-N 2.82Å; V64-L67 PolarHBondContact O-N 2.74Å; V64-K68 WeakPolarHBondContact O-CB 3.35Å; V64-K68 PolarHBondContact O-N 3.47Å |
| 65 | S | 74.8 | Confident | 73.4 | Confident | 51 Ų | 51 | 103.1 Ų | 103.1 | 36% | 0.357 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -65.4 | -41.8 | 177.2 | 62.5 | 0 | 0 | 0 | 0 | 112.4 | E61 T62 K68 E69 | E61-S65 WeakPolarHBondContact O-CB 3.31Å; E61-S65 PolarHBondContact O-N 3.47Å; E61-S65 PolarHBondContact O-OG 2.91Å; T62-S65 WeakPolarHBondContact CA-OG 3.41Å; T62-S65 PolarHBondContact O-OG 3.49Å; S65-K68 WeakPolarHBondContact O-CB 3.38Å; S65-K68 PolarHBondContact O-N 3.43Å; S65-E69 WeakPolarHBondContact O-CG 3.43Å; S65-E69 PolarHBondContact O-N 3.01Å |
| 66 | R | 79.9 | Confident | 75.3 | Confident | 146 Ų | 146 | 100.2 Ų | 100.2 | 55% | 0.551 | 50% | 0.497 | S | S | * | . | H | α-helix | trans | -63.2 | -45.2 | 174.3 | -73.1 | 175.6 | -177.2 | -167.7 | 2.2 | 112.9 | T62 V63 K68 E69 E70 | T62-R66 VanDerWaalsContact O-CG 3.26Å; T62-R66 WeakPolarHBondContact O-CG 3.49Å; T62-R66 PolarHBondContact O-N 2.7Å; V63-R66 PolarHBondContact O-N 3.39Å; R66-K68 VanDerWaalsContact C-N 3.26Å; R66-K68 PolarHBondContact O-N 2.86Å; R66-E69 PolarHBondContact O-N 3.38Å; R66-E70 PolarHBondContact O-N 2.91Å |
| 67 | L | 78.8 | Confident | 77.3 | Confident | 55 Ų | 55 | 100.2 Ų | 100.2 | 29% | 0.288 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -61.1 | -39.2 | 175.5 | -74.8 | 174.3 | 0 | 0 | 0 | 111.3 | A48 V63 V64 E70 V71 | A48-L67 HydrophobicContact CB-CD1 3.92Å; A48-L67 HydrophobicContact CB-CD2 3.83Å; A48-L67 HydrophobicContact CB-CG 4.09Å; V63-L67 HydrophobicContact CG1-CD1 4.1Å; V63-L67 HydrophobicContact CG1-CG 4.43Å; V63-L67 WeakPolarHBondContact O-CB 3.28Å; V63-L67 WeakPolarHBondContact O-CG 3.32Å; V63-L67 PolarHBondContact O-N 3.39Å; V64-L67 PolarHBondContact O-N 2.74Å; L67-E70 PolarHBondContact O-N 3.26Å; L67-V71 WeakPolarHBondContact O-CB 3.27Å; L67-V71 VanDerWaalsContact O-CG2 3.28Å; L67-V71 WeakPolarHBondContact O-CG2 3.5Å; L67-V71 PolarHBondContact O-N 3.18Å |
| 68 | K | 80.8 | Confident | 78.9 | Confident | 130 Ų | 130 | 97 Ų | 97 | 57% | 0.565 | 48% | 0.481 | S | S | * | . | H | α-helix | trans | -63.6 | -45.2 | 176.1 | -174.3 | -178.1 | 175.5 | -172 | 0 | 111.6 | V64 S65 R66 V71 E72 | V64-K68 WeakPolarHBondContact O-CB 3.35Å; V64-K68 PolarHBondContact O-N 3.47Å; S65-K68 WeakPolarHBondContact O-CB 3.38Å; S65-K68 PolarHBondContact O-N 3.43Å; R66-K68 VanDerWaalsContact C-N 3.26Å; R66-K68 PolarHBondContact O-N 2.86Å; K68-V71 PolarHBondContact O-N 3.05Å; K68-E72 VanDerWaalsContact CE-OE1 3.3Å; K68-E72 WeakPolarHBondContact CE-OE1 3.41Å; K68-E72 WeakPolarHBondContact O-CG 3.38Å; K68-E72 PolarHBondContact O-N 3.23Å |
| 69 | E | 85.6 | Confident | 80.6 | Confident | 133 Ų | 133 | 96 Ų | 96 | 62% | 0.621 | 47% | 0.47 | S | S | * | . | H | α-helix | trans | -60.2 | -44 | 175.3 | -73.7 | 175.1 | -176.1 | 0 | 0 | 111.7 | S65 R66 E72 E73 | S65-E69 WeakPolarHBondContact O-CG 3.43Å; S65-E69 PolarHBondContact O-N 3.01Å; R66-E69 PolarHBondContact O-N 3.38Å; E69-E72 PolarHBondContact O-N 3Å; E69-E73 PolarHBondContact O-N 3.43Å |
| 70 | E | 84.9 | Confident | 82.3 | Confident | 32 Ų | 32 | 96.1 Ų | 96.1 | 15% | 0.15 | 47% | 0.47 | C | S | . | . | H | α-helix | trans | -63.1 | -43.1 | 177.3 | -174.2 | 176.8 | -176.1 | 0 | 0 | 111.8 | R66 L67 E73 L74 | R66-E70 PolarHBondContact O-N 2.91Å; L67-E70 PolarHBondContact O-N 3.26Å; E70-E73 PolarHBondContact O-N 3.24Å; E70-L74 HydrophobicContact CG-CD1 4.09Å; E70-L74 HydrophobicContact CG-CG 4.48Å; E70-L74 WeakPolarHBondContact O-CB 3.46Å; E70-L74 VanDerWaalsContact O-CG 3.25Å; E70-L74 WeakPolarHBondContact O-CG 3.42Å; E70-L74 PolarHBondContact O-N 3.48Å |
| 71 | V | 87.4 | Confident | 83.6 | Confident | 74 Ų | 74 | 96.3 Ų | 96.3 | 45% | 0.448 | 47% | 0.471 | S | S | . | . | H | α-helix | trans | -62.5 | -44.7 | 174.9 | 169.8 | 0 | 0 | 0 | 0 | 110.9 | L67 K68 E73 L74 E75 | L67-V71 WeakPolarHBondContact O-CB 3.27Å; L67-V71 VanDerWaalsContact O-CG2 3.28Å; L67-V71 WeakPolarHBondContact O-CG2 3.5Å; L67-V71 PolarHBondContact O-N 3.18Å; K68-V71 PolarHBondContact O-N 3.05Å; V71-E73 VanDerWaalsContact C-N 3.3Å; V71-E73 PolarHBondContact O-N 3.31Å; V71-L74 PolarHBondContact O-N 3.41Å; V71-E75 HydrophobicContact CG1-CG 4.29Å; V71-E75 WeakPolarHBondContact O-CB 3.29Å; V71-E75 VanDerWaalsContact O-CG 3.28Å; V71-E75 WeakPolarHBondContact O-CG 3.34Å; V71-E75 PolarHBondContact O-N 3.45Å |
| 72 | E | 90.4 | Very high | 84.7 | Confident | 79 Ų | 79 | 90.5 Ų | 90.5 | 37% | 0.369 | 45% | 0.447 | S | S | . | . | H | α-helix | trans | -63 | -35 | 177.2 | -76 | -178 | -163.1 | 0 | 0 | 112.6 | K68 E69 K76 | K68-E72 VanDerWaalsContact CE-OE1 3.3Å; K68-E72 WeakPolarHBondContact CE-OE1 3.41Å; K68-E72 WeakPolarHBondContact O-CG 3.38Å; K68-E72 PolarHBondContact O-N 3.23Å; E69-E72 PolarHBondContact O-N 3Å; E72-K76 WeakPolarHBondContact O-CD 3.32Å; E72-K76 VanDerWaalsContact O-CG 3.23Å; E72-K76 WeakPolarHBondContact O-CG 2.86Å; E72-K76 PolarHBondContact O-N 3.05Å |
| 73 | E | 91.8 | Very high | 85.4 | Confident | 123 Ų | 123 | 93.9 Ų | 93.9 | 58% | 0.575 | 46% | 0.458 | S | S | * | . | H | α-helix | trans | -68.9 | -48.4 | 173.7 | -170.3 | 176.2 | -175 | 0 | 0 | 111.3 | E69 E70 V71 E75 K76 D77 | E69-E73 PolarHBondContact O-N 3.43Å; E70-E73 PolarHBondContact O-N 3.24Å; V71-E73 VanDerWaalsContact C-N 3.3Å; V71-E73 PolarHBondContact O-N 3.31Å; E73-E75 VanDerWaalsContact C-N 3.3Å; E73-E75 PolarHBondContact O-N 2.89Å; E73-K76 WeakPolarHBondContact O-CB 3.37Å; E73-K76 PolarHBondContact O-N 3.37Å; E73-K76 VanDerWaalsContact O-N 3.1Å; E73-D77 PolarHBondContact O-N 3.19Å |
| 74 | L | 89.9 | Confident | 86 | Confident | 89 Ų | 89 | 98.5 Ų | 98.5 | 47% | 0.466 | 48% | 0.48 | S | S | . | . | H | α-helix | trans | -61.1 | -36.9 | 177.4 | -72 | 172.5 | 0 | 0 | 0 | 112.4 | E70 V71 D77 L78 | E70-L74 HydrophobicContact CG-CD1 4.09Å; E70-L74 HydrophobicContact CG-CG 4.48Å; E70-L74 WeakPolarHBondContact O-CB 3.46Å; E70-L74 VanDerWaalsContact O-CG 3.25Å; E70-L74 WeakPolarHBondContact O-CG 3.42Å; E70-L74 PolarHBondContact O-N 3.48Å; V71-L74 PolarHBondContact O-N 3.41Å; L74-D77 PolarHBondContact O-N 3.47Å; L74-L78 VanDerWaalsContact O-CB 3.24Å; L74-L78 WeakPolarHBondContact O-CB 3.49Å; L74-L78 PolarHBondContact O-N 2.93Å |
| 75 | E | 88.9 | Confident | 86.5 | Confident | 122 Ų | 122 | 98.1 Ų | 98.1 | 57% | 0.57 | 47% | 0.474 | S | S | * | . | H | α-helix | trans | -65.7 | -40.2 | 174.4 | -77.4 | 179.7 | 173.2 | 0 | 0 | 112.1 | V71 E73 K79 | V71-E75 HydrophobicContact CG1-CG 4.29Å; V71-E75 WeakPolarHBondContact O-CB 3.29Å; V71-E75 VanDerWaalsContact O-CG 3.28Å; V71-E75 WeakPolarHBondContact O-CG 3.34Å; V71-E75 PolarHBondContact O-N 3.45Å; E73-E75 VanDerWaalsContact C-N 3.3Å; E73-E75 PolarHBondContact O-N 2.89Å; E75-K79 VanDerWaalsContact O-CB 3.32Å; E75-K79 WeakPolarHBondContact O-CB 3.39Å; E75-K79 PolarHBondContact O-N 2.87Å |
| 76 | K | 91.8 | Very high | 87.1 | Confident | 136 Ų | 136 | 96.6 Ų | 96.6 | 59% | 0.591 | 47% | 0.467 | S | S | * | . | H | α-helix | trans | -64.6 | -44.8 | 174.9 | -72.5 | 164.2 | -166.8 | 155.1 | 0 | 110.9 | E72 E73 K79 L80 | E72-K76 WeakPolarHBondContact O-CD 3.32Å; E72-K76 VanDerWaalsContact O-CG 3.23Å; E72-K76 WeakPolarHBondContact O-CG 2.86Å; E72-K76 PolarHBondContact O-N 3.05Å; E73-K76 WeakPolarHBondContact O-CB 3.37Å; E73-K76 PolarHBondContact O-N 3.37Å; E73-K76 VanDerWaalsContact O-N 3.1Å; K76-K79 PolarHBondContact O-N 2.97Å; K76-L80 WeakPolarHBondContact O-CB 3.47Å; K76-L80 PolarHBondContact O-N 2.91Å |
| 77 | D | 90.6 | Very high | 87.7 | Confident | 77 Ų | 77 | 91 Ų | 91 | 41% | 0.412 | 45% | 0.448 | S | S | . | . | H | α-helix | trans | -63.8 | -44.7 | 177.5 | -81.5 | -2.2 | 0 | 0 | 0 | 111.6 | E73 L74 K79 L80 Q81 | E73-D77 PolarHBondContact O-N 3.19Å; L74-D77 PolarHBondContact O-N 3.47Å; D77-K79 VanDerWaalsContact C-N 3.31Å; D77-K79 PolarHBondContact O-N 2.73Å; D77-L80 PolarHBondContact O-N 2.78Å; D77-Q81 WeakPolarHBondContact O-CB 3.5Å; D77-Q81 WeakPolarHBondContact O-CG 3.08Å; D77-Q81 PolarHBondContact O-N 2.83Å |
| 78 | L | 88.4 | Confident | 88.3 | Confident | 105 Ų | 105 | 90.2 Ų | 90.2 | 55% | 0.55 | 45% | 0.447 | S | S | . | . | H | α-helix | trans | -60.9 | -42.2 | 176.1 | -179.6 | 62.3 | 0 | 0 | 0 | 111.2 | L74 Q81 T82 | L74-L78 VanDerWaalsContact O-CB 3.24Å; L74-L78 WeakPolarHBondContact O-CB 3.49Å; L74-L78 PolarHBondContact O-N 2.93Å; L78-Q81 PolarHBondContact O-N 2.83Å; L78-T82 VanDerWaalsContact O-CB 3.29Å; L78-T82 WeakPolarHBondContact O-CB 3.49Å; L78-T82 PolarHBondContact O-N 2.88Å; L78-T82 PolarHBondContact O-OG1 2.79Å |
| 79 | K | 89.4 | Confident | 88.8 | Confident | 136 Ų | 136 | 88.7 Ų | 88.7 | 59% | 0.591 | 44% | 0.444 | S | S | * | . | H | α-helix | trans | -62.3 | -45.4 | 175.7 | -177.1 | 177.8 | -179.7 | 178.7 | 0 | 111.4 | E75 K76 D77 T82 Q83 | E75-K79 VanDerWaalsContact O-CB 3.32Å; E75-K79 WeakPolarHBondContact O-CB 3.39Å; E75-K79 PolarHBondContact O-N 2.87Å; K76-K79 PolarHBondContact O-N 2.97Å; D77-K79 VanDerWaalsContact C-N 3.31Å; D77-K79 PolarHBondContact O-N 2.73Å; K79-T82 PolarHBondContact O-N 2.84Å; K79-Q83 WeakPolarHBondContact O-CG 3.35Å; K79-Q83 PolarHBondContact O-N 3.12Å |
| 80 | L | 90.1 | Very high | 88.9 | Confident | 93 Ų | 93 | 87.5 Ų | 87.5 | 49% | 0.487 | 44% | 0.442 | S | S | . | . | H | α-helix | trans | -62.6 | -46.3 | 177.6 | -178.4 | 65.2 | 0 | 0 | 0 | 111.2 | K76 D77 T82 Q83 M84 | K76-L80 WeakPolarHBondContact O-CB 3.47Å; K76-L80 PolarHBondContact O-N 2.91Å; D77-L80 PolarHBondContact O-N 2.78Å; L80-T82 VanDerWaalsContact C-N 3.32Å; L80-T82 PolarHBondContact O-N 2.82Å; L80-Q83 PolarHBondContact O-N 3.22Å; L80-M84 HydrophobicContact CD1-SD 4.48Å; L80-M84 HydrophobicContact CG-SD 4.23Å; L80-M84 WeakPolarHBondContact O-CG 3.39Å; L80-M84 PolarHBondContact O-N 3.33Å |
| 81 | Q | 87.4 | Confident | 89.1 | Confident | 113 Ų | 113 | 88.3 Ų | 88.3 | 53% | 0.528 | 45% | 0.451 | S | S | . | . | H | α-helix | trans | -61.2 | -41.5 | 176.5 | -74.5 | -175.6 | 3.4 | 0 | 0 | 111.8 | D77 L78 M84 N85 | D77-Q81 WeakPolarHBondContact O-CB 3.5Å; D77-Q81 WeakPolarHBondContact O-CG 3.08Å; D77-Q81 PolarHBondContact O-N 2.83Å; L78-Q81 PolarHBondContact O-N 2.83Å; Q81-M84 PolarHBondContact O-N 3.38Å; Q81-N85 WeakPolarHBondContact O-CB 3.4Å; Q81-N85 VanDerWaalsContact O-CG 3.22Å; Q81-N85 PolarHBondContact O-N 2.92Å; Q81-N85 PolarHBondContact O-ND2 3.15Å |
| 82 | T | 87.9 | Confident | 89.3 | Confident | 36 Ų | 36 | 88.6 Ų | 88.6 | 22% | 0.221 | 46% | 0.456 | C | S | . | . | H | α-helix | trans | -61.6 | -45.1 | 176.9 | -61.3 | 0 | 0 | 0 | 0 | 111 | L78 K79 L80 M84 N85 G86 C88 | L78-T82 VanDerWaalsContact O-CB 3.29Å; L78-T82 WeakPolarHBondContact O-CB 3.49Å; L78-T82 PolarHBondContact O-N 2.88Å; L78-T82 PolarHBondContact O-OG1 2.79Å; K79-T82 PolarHBondContact O-N 2.84Å; L80-T82 VanDerWaalsContact C-N 3.32Å; L80-T82 PolarHBondContact O-N 2.82Å; T82-M84 VanDerWaalsContact C-N 3.35Å; T82-M84 PolarHBondContact O-N 3.38Å; T82-N85 PolarHBondContact O-N 3.2Å; T82-G86 WeakPolarHBondContact O-CA 3.36Å; T82-G86 PolarHBondContact O-N 3.02Å; T82-C88 HydrophobicContact CG2-CB 4.23Å; T82-C88 WeakPolarHBondContact CG2-SG 3.34Å |
| 83 | Q | 87.3 | Confident | 89.2 | Confident | 133 Ų | 133 | 89.7 Ų | 89.7 | 62% | 0.621 | 46% | 0.463 | S | S | * | . | H | α-helix | trans | -62.4 | -40.8 | 175.9 | -73 | 176.2 | -12.4 | 0 | 0 | 112.1 | K79 L80 | K79-Q83 WeakPolarHBondContact O-CG 3.35Å; K79-Q83 PolarHBondContact O-N 3.12Å; L80-Q83 PolarHBondContact O-N 3.22Å |
| 84 | M | 84.3 | Confident | 89.2 | Confident | 121 Ų | 121 | 86.7 Ų | 86.7 | 60% | 0.596 | 45% | 0.453 | S | S | * | . | H | α-helix | trans | -72.8 | -34.5 | 178.9 | -72.5 | -178.5 | 65.8 | 0 | 0 | 113.2 | L80 Q81 T82 R174 | L80-M84 HydrophobicContact CD1-SD 4.48Å; L80-M84 HydrophobicContact CG-SD 4.23Å; L80-M84 WeakPolarHBondContact O-CG 3.39Å; L80-M84 PolarHBondContact O-N 3.33Å; Q81-M84 PolarHBondContact O-N 3.38Å; T82-M84 VanDerWaalsContact C-N 3.35Å; T82-M84 PolarHBondContact O-N 3.38Å; M84-R174 PolarHBondContact O-NH1 3.4Å; M84-R174 PolarHBondContact O-NH2 3.24Å |
| 85 | N | 85.4 | Confident | 89.2 | Confident | 76 Ų | 76 | 89 Ų | 89 | 41% | 0.406 | 46% | 0.459 | S | S | . | . | H | α-helix | trans | -94.7 | -18.9 | -172.8 | -66.6 | -25.2 | 0 | 0 | 0 | 113.4 | Q81 T82 I87 R174 | Q81-N85 WeakPolarHBondContact O-CB 3.4Å; Q81-N85 VanDerWaalsContact O-CG 3.22Å; Q81-N85 PolarHBondContact O-N 2.92Å; Q81-N85 PolarHBondContact O-ND2 3.15Å; T82-N85 PolarHBondContact O-N 3.2Å; N85-I87 PolarHBondContact O-N 3.4Å; N85-R174 WeakPolarHBondContact O-CD 3.49Å; N85-R174 WeakPolarHBondContact O-CG 3.28Å; N85-R174 PolarHBondContact O-NE 2.95Å; N85-R174 PolarHBondContact O-NH1 2.88Å |
| 86 | G | 88.7 | Confident | 89.3 | Confident | 20 Ų | 20 | 84.9 Ų | 84.9 | 21% | 0.206 | 44% | 0.443 | C | S | . | . | trans | 66.3 | 12.3 | -176 | 0 | 0 | 0 | 0 | 0 | 113.9 | T82 S114 | T82-G86 WeakPolarHBondContact O-CA 3.36Å; T82-G86 PolarHBondContact O-N 3.02Å; G86-S114 WeakPolarHBondContact O-CA 3.47Å; G86-S114 WeakPolarHBondContact O-CB 3.37Å; G86-S114 PolarHBondContact O-OG 2.95Å | ||
| 87 | I | 92.4 | Very high | 89.2 | Confident | 27 Ų | 27 | 81.6 Ų | 81.6 | 14% | 0.138 | 43% | 0.431 | C | S | . | . | trans | -121.6 | 123.6 | -177.9 | -66.2 | 163.1 | 0 | 0 | 0 | 108.3 | N85 L89 F119 F170 R174 | N85-I87 PolarHBondContact O-N 3.4Å; I87-L89 HydrophobicContact CG2-CD2 4.37Å; I87-F119 HydrophobicContact CG2-CE1 3.92Å; I87-F119 HydrophobicContact CG2-CZ 3.65Å; I87-F170 HydrophobicContact CD1-CB 3.85Å; I87-F170 HydrophobicContact CD1-CD1 3.85Å; I87-F170 HydrophobicContact CD1-CG 4.24Å; I87-R174 HydrophobicContact CD1-CB 4.28Å; I87-R174 HydrophobicContact CG1-CB 4.41Å | ||
| 88 | C | 91.4 | Very high | 88.9 | Confident | 39 Ų | 39 | 82.7 Ų | 82.7 | 26% | 0.264 | 43% | 0.434 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.2 | 129.2 | 172.2 | -55.1 | 0 | 0 | 0 | 0 | 109 | T82 G112 R113 | T82-C88 HydrophobicContact CG2-CB 4.23Å; T82-C88 WeakPolarHBondContact CG2-SG 3.34Å; C88-G112 CarbonylContact O-C 3.5Å; C88-G112 WeakPolarHBondContact O-CA 3.15Å; C88-R113 HydrophobicContact CB-CG 4.14Å; C88-R113 PolarHBondContact N-O 2.95Å; C88-R113 PolarHBondContact O-N 3.5Å |
| 89 | L | 90.7 | Very high | 88.8 | Confident | 99 Ų | 99 | 81.9 Ų | 81.9 | 52% | 0.518 | 44% | 0.437 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.6 | 129.2 | 170.2 | -63 | 178.1 | 0 | 0 | 0 | 109.4 | I87 F119 | I87-L89 HydrophobicContact CG2-CD2 4.37Å; L89-F119 HydrophobicContact CD2-CE2 4.12Å; L89-F119 HydrophobicContact CD2-CZ 3.99Å |
| 90 | N | 87.9 | Confident | 88.3 | Confident | 107 Ų | 107 | 84.5 Ų | 84.5 | 57% | 0.572 | 44% | 0.443 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -97.2 | -31.8 | -179.4 | -62 | -14.1 | 0 | 0 | 0 | 111.5 | S111 | N90-S111 PolarHBondContact N-O 3.27Å |
| 91 | S | 89.6 | Confident | 87.9 | Confident | 50 Ų | 50 | 84.1 Ų | 84.1 | 35% | 0.35 | 46% | 0.461 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -153.3 | 144.4 | 179.2 | -177.6 | 0 | 0 | 0 | 0 | 110.7 | L110 S111 | S91-L110 WeakPolarHBondContact O-CA 3.44Å; S91-S111 WeakPolarHBondContact CB-OG 3.3Å; S91-S111 PolarHBondContact N-O 3.09Å; S91-S111 PolarHBondContact N-OG 3.44Å; S91-S111 PolarHBondContact O-N 3.04Å |
| 92 | C | 90.1 | Very high | 87.7 | Confident | 80 Ų | 80 | 84.6 Ų | 84.6 | 54% | 0.541 | 46% | 0.464 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -134 | 114.5 | 170.4 | 177.2 | 0 | 0 | 0 | 0 | 107.4 | C109 L110 | C92-C109 WeakPolarHBondContact CA-O 3.38Å; C92-L110 HydrophobicContact CB-CD2 3.79Å; C92-L110 WeakPolarHBondContact SG-CD2 3.48Å |
| 93 | I | 90 | Very high | 87.7 | Confident | 102 Ų | 102 | 85.9 Ų | 85.9 | 52% | 0.523 | 47% | 0.467 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.8 | 123.7 | 178.8 | -58.1 | 173.6 | 0 | 0 | 0 | 107.1 | V108 C109 | I93-V108 CarbonylContact O-C 3.45Å; I93-V108 WeakPolarHBondContact O-CA 3.38Å; I93-C109 HydrophobicContact CB-CB 4.46Å; I93-C109 PolarHBondContact N-O 2.59Å; I93-C109 PolarHBondContact O-N 2.8Å |
| 94 | T | 90.3 | Very high | 87.9 | Confident | 59 Ų | 59 | 80.6 Ų | 80.6 | 36% | 0.362 | 44% | 0.444 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.6 | 126.7 | 175 | -60.2 | 0 | 0 | 0 | 0 | 108.9 | H106 Q107 V108 | T94-H106 HydrophobicContact CG2-CB 3.87Å; T94-Q107 CarbonylContact C-O 3.59Å; T94-Q107 WeakPolarHBondContact CA-O 3.35Å; T94-V108 HydrophobicContact CG2-CG2 4.24Å |
| 95 | K | 90.3 | Very high | 88.2 | Confident | 138 Ų | 138 | 75 Ų | 75 | 60% | 0.6 | 42% | 0.417 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -123.4 | 121.6 | 177.5 | -177.7 | -179.5 | -179.7 | -179.5 | 0 | 109.8 | L97 H106 Q107 | K95-L97 PolarHBondContact O-N 2.88Å; K95-H106 CarbonylContact O-C 3.53Å; K95-H106 WeakPolarHBondContact O-CA 3.43Å; K95-Q107 HydrophobicContact CB-CB 4.4Å; K95-Q107 PolarHBondContact N-O 2.96Å; K95-Q107 PolarHBondContact O-N 3.28Å |
| 96 | T | 91.3 | Very high | 88.5 | Confident | 36 Ų | 36 | 72.6 Ų | 72.6 | 22% | 0.221 | 40% | 0.403 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -69.5 | 117.1 | 172.1 | -55.2 | 0 | 0 | 0 | 0 | 109.4 | N36 V104 H106 | N36-T96 PolarHBondContact OD1-OG1 3.33Å; T96-V104 HydrophobicContact CG2-CG1 3.86Å; T96-H106 PolarHBondContact OG1-CE1 3.03Å; T96-H106 PolarHBondContact OG1-ND1 3.24Å; T96-H106 VanDerWaalsContact OG1-ND1 3.14Å |
| 97 | L | 88.7 | Confident | 88.8 | Confident | 67 Ų | 67 | 73.5 Ų | 73.5 | 35% | 0.351 | 40% | 0.402 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.9 | -42.5 | 178.4 | -63.2 | -179.5 | 0 | 0 | 0 | 111.5 | K95 V105 Q107 Q124 | K95-L97 PolarHBondContact O-N 2.88Å; L97-V105 HydrophobicContact CD1-CG1 4.36Å; L97-V105 PolarHBondContact N-O 3.34Å; L97-Q107 HydrophobicContact CD1-CB 4.02Å; L97-Q107 VanDerWaalsContact CD1-OE1 3.3Å; L97-Q107 HydrophobicContact CD2-CB 3.96Å; L97-Q107 HydrophobicContact CG-CB 3.93Å; L97-Q124 HydrophobicContact CD1-CG 4.23Å |
| 98 | Q | 85 | Confident | 88.9 | Confident | 99 Ų | 99 | 72.7 Ų | 72.7 | 46% | 0.463 | 40% | 0.398 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -147.6 | 139.6 | -174.8 | -60.7 | -175.1 | 9.6 | 0 | 0 | 109.7 | V104 V105 | Q98-V104 CarbonylContact O-C 3.58Å; Q98-V104 WeakPolarHBondContact O-CA 3.34Å; Q98-V105 HydrophobicContact CB-CB 4.38Å; Q98-V105 PolarHBondContact N-O 2.92Å; Q98-V105 PolarHBondContact O-N 3.41Å |
| 99 | S | 87.3 | Confident | 89 | Confident | 88 Ų | 88 | 72.8 Ų | 72.8 | 62% | 0.615 | 40% | 0.399 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -132.4 | 107.2 | 168.9 | -177.8 | 0 | 0 | 0 | 0 | 106.9 | ||
| 100 | R | 78.7 | Confident | 89.2 | Confident | 192 Ų | 192 | 69.1 Ų | 69.1 | 73% | 0.725 | 38% | 0.379 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -131 | 106.2 | -176.9 | -71.6 | -172 | 179 | -151.4 | 1.1 | 109.6 | Q102 E103 | R100-Q102 PolarHBondContact O-N 3.06Å; R100-Q102 VanDerWaalsContact O-N 3.07Å; R100-E103 PolarHBondContact N-O 3.29Å; R100-E103 PolarHBondContact O-N 3.42Å |
| 101 | G | 81.7 | Confident | 89.5 | Confident | 84 Ų | 84 | 65.4 Ų | 65.4 | 87% | 0.866 | 36% | 0.362 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 59.4 | -112.5 | 177.9 | 0 | 0 | 0 | 0 | 0 | 111.7 | ||
| 102 | Q | 82.6 | Confident | 89.7 | Confident | 124 Ų | 124 | 63 Ų | 63 | 58% | 0.579 | 35% | 0.345 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -91.1 | -6.9 | 179.7 | -74.9 | 178.1 | -27 | 0 | 0 | 114.1 | R100 K129 | R100-Q102 PolarHBondContact O-N 3.06Å; R100-Q102 VanDerWaalsContact O-N 3.07Å; Q102-K129 HydrophobicContact CB-CB 4.49Å; Q102-K129 WeakPolarHBondContact CB-O 3.27Å; Q102-K129 VanDerWaalsContact CD-O 3.23Å; Q102-K129 WeakPolarHBondContact CG-O 3.44Å; Q102-K129 PolarHBondContact O-N 3.48Å; Q102-K129 PolarHBondContact OE1-O 3.29Å |
| 103 | E | 88.2 | Confident | 89.9 | Confident | 62 Ų | 62 | 65.4 Ų | 65.4 | 29% | 0.29 | 34% | 0.343 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.1 | 131.4 | -178.3 | -169.7 | 168.3 | -121.8 | 0 | 0 | 111.9 | R100 V105 E127 L128 R139 | R100-E103 PolarHBondContact N-O 3.29Å; R100-E103 PolarHBondContact O-N 3.42Å; E103-V105 HydrophobicContact CG-CG2 4.41Å; E103-E127 WeakPolarHBondContact CA-O 3.45Å; E103-L128 HydrophobicContact CB-CD1 3.98Å; E103-L128 HydrophobicContact CG-CD1 4.28Å; E103-R139 IonicContact OE1-CZ 2.8Å; E103-R139 IonicContact OE1-NH2 2.87Å; E103-R139 PolarHBondContact OE1-NH2 3.07Å; E103-R139 IonicContact OE2-CZ 3.78Å; E103-R139 IonicContact OE2-NH2 2.58Å; E103-R139 PolarHBondContact OE2-NH2 3.5Å |
| 104 | V | 90.8 | Very high | 90.1 | Very high | 22 Ų | 22 | 60.6 Ų | 60.6 | 13% | 0.133 | 32% | 0.318 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.5 | 135.8 | 171.2 | -172.3 | 0 | 0 | 0 | 0 | 108.8 | T96 Q98 H106 S126 E127 | T96-V104 HydrophobicContact CG2-CG1 3.86Å; Q98-V104 CarbonylContact O-C 3.58Å; Q98-V104 WeakPolarHBondContact O-CA 3.34Å; V104-H106 VanDerWaalsContact CG1-CE1 3.44Å; V104-H106 WeakPolarHBondContact CG1-CE1 3.4Å; V104-H106 WeakPolarHBondContact CG1-NE2 3.43Å; V104-S126 CarbonylContact O-C 3.58Å; V104-S126 WeakPolarHBondContact O-CA 3.45Å; V104-E127 PolarHBondContact N-O 3.14Å; V104-E127 PolarHBondContact O-N 3.46Å |
| 105 | V | 91.6 | Very high | 90.1 | Very high | 4 Ų | 4 | 62.2 Ų | 62.2 | 2% | 0.024 | 32% | 0.318 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.1 | 125.5 | 177.9 | -175 | 0 | 0 | 0 | 0 | 109.1 | L97 Q98 E103 L125 | L97-V105 HydrophobicContact CD1-CG1 4.36Å; L97-V105 PolarHBondContact N-O 3.34Å; Q98-V105 HydrophobicContact CB-CB 4.38Å; Q98-V105 PolarHBondContact N-O 2.92Å; Q98-V105 PolarHBondContact O-N 3.41Å; E103-V105 HydrophobicContact CG-CG2 4.41Å; V105-L125 CarbonylContact C-O 3.59Å; V105-L125 WeakPolarHBondContact CA-O 3.04Å |
| 106 | H | 92.3 | Very high | 90 | Very high | 26 Ų | 26 | 64.2 Ų | 64.2 | 12% | 0.12 | 33% | 0.33 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.2 | 137.7 | 177 | -55.6 | -75.8 | 0 | 0 | 0 | 110.7 | T94 K95 T96 V104 V108 Q124 L125 | T94-H106 HydrophobicContact CG2-CB 3.87Å; K95-H106 CarbonylContact O-C 3.53Å; K95-H106 WeakPolarHBondContact O-CA 3.43Å; T96-H106 PolarHBondContact OG1-CE1 3.03Å; T96-H106 PolarHBondContact OG1-ND1 3.24Å; T96-H106 VanDerWaalsContact OG1-ND1 3.14Å; V104-H106 VanDerWaalsContact CG1-CE1 3.44Å; V104-H106 WeakPolarHBondContact CG1-CE1 3.4Å; V104-H106 WeakPolarHBondContact CG1-NE2 3.43Å; H106-V108 HydrophobicContact CB-CG2 4.41Å; H106-Q124 CarbonylContact O-C 3.57Å; H106-Q124 VanDerWaalsContact O-CA 3.3Å; H106-Q124 WeakPolarHBondContact O-CA 3.17Å; H106-L125 PolarHBondContact N-O 2.99Å; H106-L125 PolarHBondContact O-N 3.3Å |
| 107 | Q | 94.5 | Very high | 90 | Very high | 38 Ų | 38 | 63.1 Ų | 63.1 | 18% | 0.178 | 32% | 0.323 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.6 | 122.6 | 159.9 | -165.6 | 98.5 | 31.7 | 0 | 0 | 107.2 | T94 K95 L97 E122 | T94-Q107 CarbonylContact C-O 3.59Å; T94-Q107 WeakPolarHBondContact CA-O 3.35Å; K95-Q107 HydrophobicContact CB-CB 4.4Å; K95-Q107 PolarHBondContact N-O 2.96Å; K95-Q107 PolarHBondContact O-N 3.28Å; L97-Q107 HydrophobicContact CD1-CB 4.02Å; L97-Q107 VanDerWaalsContact CD1-OE1 3.3Å; L97-Q107 HydrophobicContact CD2-CB 3.96Å; L97-Q107 HydrophobicContact CG-CB 3.93Å; Q107-E122 HydrophobicContact CG-CG 4.39Å; Q107-E122 PolarHBondContact NE2-OE1 3.22Å |
| 108 | V | 93.7 | Very high | 90.2 | Very high | 10 Ų | 10 | 62.7 Ų | 62.7 | 6% | 0.061 | 32% | 0.322 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.4 | 125.7 | 176.3 | -175.6 | 0 | 0 | 0 | 0 | 108 | I93 T94 H106 L110 E122 F123 L125 | I93-V108 CarbonylContact O-C 3.45Å; I93-V108 WeakPolarHBondContact O-CA 3.38Å; T94-V108 HydrophobicContact CG2-CG2 4.24Å; H106-V108 HydrophobicContact CB-CG2 4.41Å; V108-L110 HydrophobicContact CG1-CD2 3.91Å; V108-L110 HydrophobicContact CG1-CG 4.14Å; V108-E122 CarbonylContact O-C 3.41Å; V108-E122 VanDerWaalsContact O-CA 3.32Å; V108-E122 WeakPolarHBondContact O-CA 3.48Å; V108-F123 HydrophobicContact CB-CD1 4.08Å; V108-F123 HydrophobicContact CB-CD2 4.26Å; V108-F123 HydrophobicContact CB-CE1 3.67Å; V108-F123 HydrophobicContact CB-CE2 3.86Å; V108-F123 HydrophobicContact CB-CG 4.36Å; V108-F123 HydrophobicContact CB-CZ 3.55Å; V108-F123 HydrophobicContact CG1-CD1 4.38Å; V108-F123 HydrophobicContact CG1-CE1 3.58Å; V108-F123 HydrophobicContact CG1-CE2 4.34Å; V108-F123 HydrophobicContact CG1-CZ 3.56Å; V108-F123 HydrophobicContact CG2-CE2 3.92Å; V108-F123 HydrophobicContact CG2-CZ 3.96Å; V108-F123 PolarHBondContact N-O 3.48Å; V108-F123 PolarHBondContact O-N 3Å; V108-L125 HydrophobicContact CG2-CB 4.44Å |
| 109 | C | 94.5 | Very high | 90.7 | Very high | 42 Ų | 42 | 58 Ų | 58 | 28% | 0.284 | 30% | 0.301 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.6 | 118.6 | 173.2 | -177.8 | 0 | 0 | 0 | 0 | 108.9 | C92 I93 V121 | C92-C109 WeakPolarHBondContact CA-O 3.38Å; I93-C109 HydrophobicContact CB-CB 4.46Å; I93-C109 PolarHBondContact N-O 2.59Å; I93-C109 PolarHBondContact O-N 2.8Å; C109-V121 CarbonylContact C-O 3.59Å; C109-V121 WeakPolarHBondContact CA-O 3.49Å |
| 110 | L | 94.8 | Very high | 91.1 | Very high | 21 Ų | 21 | 58.7 Ų | 58.7 | 11% | 0.11 | 29% | 0.294 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.4 | 138.7 | 175.7 | -52.8 | 176.3 | 0 | 0 | 0 | 108.5 | S91 C92 V108 Q120 V121 F123 F170 | S91-L110 WeakPolarHBondContact O-CA 3.44Å; C92-L110 HydrophobicContact CB-CD2 3.79Å; C92-L110 WeakPolarHBondContact SG-CD2 3.48Å; V108-L110 HydrophobicContact CG1-CD2 3.91Å; V108-L110 HydrophobicContact CG1-CG 4.14Å; L110-Q120 CarbonylContact O-C 3.49Å; L110-Q120 VanDerWaalsContact O-CA 3.27Å; L110-Q120 WeakPolarHBondContact O-CA 3.39Å; L110-V121 HydrophobicContact CB-CB 4.23Å; L110-V121 PolarHBondContact N-O 2.96Å; L110-V121 PolarHBondContact O-N 3.41Å; L110-F123 HydrophobicContact CD1-CE1 3.88Å; L110-F123 HydrophobicContact CG-CE1 4.18Å; L110-F170 HydrophobicContact CD1-CZ 4.14Å |
| 111 | S | 94.4 | Very high | 92 | Very high | 29 Ų | 29 | 49.6 Ų | 49.6 | 20% | 0.203 | 26% | 0.26 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.5 | 145 | 164.5 | 64.4 | 0 | 0 | 0 | 0 | 109.4 | N90 S91 F119 | N90-S111 PolarHBondContact N-O 3.27Å; S91-S111 WeakPolarHBondContact CB-OG 3.3Å; S91-S111 PolarHBondContact N-O 3.09Å; S91-S111 PolarHBondContact N-OG 3.44Å; S91-S111 PolarHBondContact O-N 3.04Å; S111-F119 WeakPolarHBondContact CA-O 3.29Å |
| 112 | G | 93.6 | Very high | 92.7 | Very high | 0 Ų | 0 | 49.1 Ų | 49.1 | 0% | 0 | 24% | 0.235 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -169.4 | -173.3 | -176.4 | 0 | 0 | 0 | 0 | 0 | 112.1 | C88 F119 | C88-G112 CarbonylContact O-C 3.5Å; C88-G112 WeakPolarHBondContact O-CA 3.15Å; G112-F119 PolarHBondContact N-O 3.18Å; G112-F119 PolarHBondContact O-N 2.81Å |
| 113 | R | 94 | Very high | 93.4 | Very high | 130 Ų | 130 | 44.1 Ų | 44.1 | 49% | 0.491 | 21% | 0.212 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -144.5 | 154.3 | 175.1 | 69.6 | 179.5 | -162.9 | -164.9 | 6.8 | 111.5 | C88 L117 V118 | C88-R113 HydrophobicContact CB-CG 4.14Å; C88-R113 PolarHBondContact N-O 2.95Å; C88-R113 PolarHBondContact O-N 3.5Å; R113-L117 CarbonylContact C-O 3.55Å; R113-L117 WeakPolarHBondContact CA-O 3.45Å; R113-L117 WeakPolarHBondContact CB-O 3.45Å; R113-V118 HydrophobicContact CB-CG2 4.21Å |
| 114 | S | 93 | Very high | 93.8 | Very high | 1 Ų | 1 | 43.6 Ų | 43.6 | 1% | 0.007 | 21% | 0.209 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.9 | 112.7 | 165.6 | -162.2 | 0 | 0 | 0 | 0 | 107.6 | G86 E116 L117 S177 | G86-S114 WeakPolarHBondContact O-CA 3.47Å; G86-S114 WeakPolarHBondContact O-CB 3.37Å; G86-S114 PolarHBondContact O-OG 2.95Å; S114-E116 PolarHBondContact O-N 3Å; S114-L117 PolarHBondContact N-O 2.9Å; S114-L117 WeakPolarHBondContact O-CB 3.4Å; S114-L117 PolarHBondContact O-N 3.49Å; S114-S177 WeakPolarHBondContact CB-OG 3.45Å; S114-S177 VanDerWaalsContact O-CB 3.25Å; S114-S177 WeakPolarHBondContact O-CB 3.34Å; S114-S177 PolarHBondContact OG-OG 3.23Å |
| 115 | Y | 90.6 | Very high | 94 | Very high | 93 Ų | 93 | 44.1 Ų | 44.1 | 37% | 0.365 | 21% | 0.211 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 50.2 | -126.6 | -163.7 | -60.8 | -100.6 | 0 | 0 | 0 | 110.4 | E178 D181 | Y115-E178 HydrophobicContact CE2-CB 4.12Å; Y115-D181 HydrophobicContact CD1-CB 3.53Å; Y115-D181 WeakPolarHBondContact CD1-OD1 3.44Å; Y115-D181 HydrophobicContact CE1-CB 3.79Å; Y115-D181 VanDerWaalsContact CE1-CG 3.45Å; Y115-D181 WeakPolarHBondContact CE1-OD2 3.32Å; Y115-D181 HydrophobicContact CG-CB 4.06Å |
| 116 | E | 88.3 | Confident | 94.1 | Very high | 180 Ų | 180 | 44.3 Ų | 44.3 | 84% | 0.841 | 21% | 0.212 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -81.2 | -11.5 | 177.4 | -61.1 | -57.7 | 136 | 0 | 0 | 113.5 | S114 V118 | S114-E116 PolarHBondContact O-N 3Å; E116-V118 PolarHBondContact O-N 3.27Å |
| 117 | L | 91.1 | Very high | 94.1 | Very high | 14 Ų | 14 | 44.4 Ų | 44.4 | 7% | 0.073 | 21% | 0.213 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -79.3 | 112.5 | -179.5 | -178.2 | 69.3 | 0 | 0 | 0 | 110.5 | R113 S114 I173 Y176 | R113-L117 CarbonylContact C-O 3.55Å; R113-L117 WeakPolarHBondContact CA-O 3.45Å; R113-L117 WeakPolarHBondContact CB-O 3.45Å; S114-L117 PolarHBondContact N-O 2.9Å; S114-L117 WeakPolarHBondContact O-CB 3.4Å; S114-L117 PolarHBondContact O-N 3.49Å; L117-I173 HydrophobicContact CD2-CB 4.11Å; L117-I173 HydrophobicContact CD2-CG2 4.47Å; L117-Y176 HydrophobicContact CD2-CD1 4.06Å; L117-Y176 HydrophobicContact CD2-CE1 4.47Å |
| 118 | V | 93.9 | Very high | 93.9 | Very high | 57 Ų | 57 | 45.6 Ų | 45.6 | 35% | 0.345 | 22% | 0.22 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -92.1 | 139.3 | 175.4 | -179.5 | 0 | 0 | 0 | 0 | 110.1 | R113 E116 D146 | R113-V118 HydrophobicContact CB-CG2 4.21Å; E116-V118 PolarHBondContact O-N 3.27Å; V118-D146 HydrophobicContact CB-CB 4.15Å; V118-D146 PolarHBondContact O-N 3.2Å |
| 119 | F | 94.8 | Very high | 93.4 | Very high | 1 Ų | 1 | 50.2 Ų | 50.2 | 0% | 0.004 | 24% | 0.239 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -137.1 | 155.9 | -179.7 | 65.8 | -101 | 0 | 0 | 0 | 112.7 | I87 L89 S111 G112 V121 V144 L145 F169 F170 I173 | I87-F119 HydrophobicContact CG2-CE1 3.92Å; I87-F119 HydrophobicContact CG2-CZ 3.65Å; L89-F119 HydrophobicContact CD2-CE2 4.12Å; L89-F119 HydrophobicContact CD2-CZ 3.99Å; S111-F119 WeakPolarHBondContact CA-O 3.29Å; G112-F119 PolarHBondContact N-O 3.18Å; G112-F119 PolarHBondContact O-N 2.81Å; F119-V121 HydrophobicContact CD2-CG2 3.89Å; F119-V121 HydrophobicContact CE2-CG2 4.27Å; F119-V144 CarbonylContact C-O 3.55Å; F119-V144 WeakPolarHBondContact CA-O 3.22Å; F119-L145 HydrophobicContact CB-CD2 3.34Å; F119-F169 HydrophobicContact CB-CZ 4.19Å; F119-F169 HydrophobicContact CD2-CE1 4.26Å; F119-F169 HydrophobicContact CG-CE1 4.47Å; F119-F169 HydrophobicContact CG-CZ 4.37Å; F119-F170 AromaticContact CE2-CE1 3.72Å; F119-F170 HydrophobicContact CE2-CE1 3.72Å; F119-F170 HydrophobicContact CZ-CD1 4.42Å; F119-F170 AromaticContact CZ-CE1 3.82Å; F119-F170 HydrophobicContact CZ-CE1 3.82Å; F119-I173 HydrophobicContact CD1-CD1 3.68Å; F119-I173 HydrophobicContact CE1-CD1 3.78Å; F119-I173 HydrophobicContact CG-CD1 4.19Å; F119-I173 HydrophobicContact CZ-CD1 4.39Å |
| 120 | Q | 95.8 | Very high | 92.7 | Very high | 103 Ų | 103 | 53.8 Ų | 53.8 | 48% | 0.481 | 26% | 0.256 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -130 | 139.3 | 165.1 | -58 | -179.8 | -5.5 | 0 | 0 | 109.4 | L110 V144 | L110-Q120 CarbonylContact O-C 3.49Å; L110-Q120 VanDerWaalsContact O-CA 3.27Å; L110-Q120 WeakPolarHBondContact O-CA 3.39Å; Q120-V144 HydrophobicContact CB-CB 4.26Å; Q120-V144 PolarHBondContact N-O 3.37Å; Q120-V144 PolarHBondContact O-N 3.3Å |
| 121 | V | 96.9 | Very high | 92 | Very high | 0 Ų | 0 | 56.3 Ų | 56.3 | 0% | 0 | 29% | 0.287 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.8 | 121.3 | -179.9 | -176.5 | 0 | 0 | 0 | 0 | 107.4 | C109 L110 F119 F123 L141 L143 L166 F169 F170 | C109-V121 CarbonylContact C-O 3.59Å; C109-V121 WeakPolarHBondContact CA-O 3.49Å; L110-V121 HydrophobicContact CB-CB 4.23Å; L110-V121 PolarHBondContact N-O 2.96Å; L110-V121 PolarHBondContact O-N 3.41Å; F119-V121 HydrophobicContact CD2-CG2 3.89Å; F119-V121 HydrophobicContact CE2-CG2 4.27Å; V121-F123 HydrophobicContact CG1-CD1 3.96Å; V121-L141 HydrophobicContact CG1-CD1 3.67Å; V121-L143 HydrophobicContact CB-CD2 4.17Å; V121-L143 HydrophobicContact CG1-CD2 3.77Å; V121-L143 HydrophobicContact CG2-CD2 3.85Å; V121-L166 HydrophobicContact CG1-CD2 3.51Å; V121-F169 HydrophobicContact CG2-CD1 3.98Å; V121-F169 HydrophobicContact CG2-CE1 3.31Å; V121-F169 HydrophobicContact CG2-CZ 3.96Å; V121-F170 HydrophobicContact CG2-CE1 4.42Å; V121-F170 HydrophobicContact CG2-CZ 4.16Å |
| 122 | E | 97.2 | Very high | 91.2 | Very high | 74 Ų | 74 | 61.3 Ų | 61.3 | 35% | 0.346 | 32% | 0.322 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.6 | 126.9 | 174.7 | -178.4 | 172.6 | -169 | 0 | 0 | 109.3 | Q107 V108 L141 N142 | Q107-E122 HydrophobicContact CG-CG 4.39Å; Q107-E122 PolarHBondContact NE2-OE1 3.22Å; V108-E122 CarbonylContact O-C 3.41Å; V108-E122 VanDerWaalsContact O-CA 3.32Å; V108-E122 WeakPolarHBondContact O-CA 3.48Å; E122-L141 CarbonylContact O-C 3.55Å; E122-L141 WeakPolarHBondContact O-CA 2.95Å; E122-N142 HydrophobicContact CB-CB 4.38Å; E122-N142 PolarHBondContact N-O 3.21Å; E122-N142 PolarHBondContact O-N 2.93Å |
| 123 | F | 97 | Very high | 90.5 | Very high | 20 Ų | 20 | 70.7 Ų | 70.7 | 9% | 0.088 | 36% | 0.357 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -147.2 | 153.7 | 179.9 | 65.5 | -85 | 0 | 0 | 0 | 112.9 | V108 L110 V121 L125 I138 D140 L141 L166 | V108-F123 HydrophobicContact CB-CD1 4.08Å; V108-F123 HydrophobicContact CB-CD2 4.26Å; V108-F123 HydrophobicContact CB-CE1 3.67Å; V108-F123 HydrophobicContact CB-CE2 3.86Å; V108-F123 HydrophobicContact CB-CG 4.36Å; V108-F123 HydrophobicContact CB-CZ 3.55Å; V108-F123 HydrophobicContact CG1-CD1 4.38Å; V108-F123 HydrophobicContact CG1-CE1 3.58Å; V108-F123 HydrophobicContact CG1-CE2 4.34Å; V108-F123 HydrophobicContact CG1-CZ 3.56Å; V108-F123 HydrophobicContact CG2-CE2 3.92Å; V108-F123 HydrophobicContact CG2-CZ 3.96Å; V108-F123 PolarHBondContact N-O 3.48Å; V108-F123 PolarHBondContact O-N 3Å; L110-F123 HydrophobicContact CD1-CE1 3.88Å; L110-F123 HydrophobicContact CG-CE1 4.18Å; V121-F123 HydrophobicContact CG1-CD1 3.96Å; F123-L125 HydrophobicContact CD2-CB 4.39Å; F123-L125 HydrophobicContact CE2-CB 4.18Å; F123-I138 HydrophobicContact CB-CG2 4.06Å; F123-I138 HydrophobicContact CD2-CG1 4.26Å; F123-I138 HydrophobicContact CD2-CG2 4.3Å; F123-D140 CarbonylContact C-O 3.54Å; F123-D140 WeakPolarHBondContact CA-O 3.38Å; F123-D140 WeakPolarHBondContact CB-O 3.42Å; F123-L141 HydrophobicContact CB-CB 4.49Å; F123-L141 HydrophobicContact CB-CD1 3.82Å; F123-L166 HydrophobicContact CD1-CD1 4.01Å; F123-L166 HydrophobicContact CD2-CD1 4.29Å; F123-L166 HydrophobicContact CE1-CD1 3.9Å; F123-L166 HydrophobicContact CE2-CD1 4.18Å; F123-L166 HydrophobicContact CG-CD1 4.2Å; F123-L166 HydrophobicContact CZ-CD1 3.98Å |
| 124 | Q | 96.4 | Very high | 90 | Very high | 51 Ų | 51 | 67 Ų | 67 | 24% | 0.238 | 35% | 0.35 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.5 | 119.4 | 173.7 | -69.5 | -176.5 | 8 | 0 | 0 | 110.6 | L97 H106 I138 R139 D140 | L97-Q124 HydrophobicContact CD1-CG 4.23Å; H106-Q124 CarbonylContact O-C 3.57Å; H106-Q124 VanDerWaalsContact O-CA 3.3Å; H106-Q124 WeakPolarHBondContact O-CA 3.17Å; Q124-I138 CarbonylContact O-C 3.54Å; Q124-I138 WeakPolarHBondContact O-CA 3.41Å; Q124-R139 HydrophobicContact CB-CB 4.15Å; Q124-R139 PolarHBondContact O-N 3.05Å; Q124-D140 HydrophobicContact CB-CB 4.09Å; Q124-D140 HydrophobicContact CG-CB 4.1Å; Q124-D140 PolarHBondContact N-O 2.99Å |
| 125 | L | 95.1 | Very high | 89.8 | Confident | 32 Ų | 32 | 72.8 Ų | 72.8 | 17% | 0.168 | 38% | 0.376 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.1 | 116.4 | 176.1 | -177.3 | 66.1 | 0 | 0 | 0 | 109.8 | V105 H106 V108 F123 E127 R136 | V105-L125 CarbonylContact C-O 3.59Å; V105-L125 WeakPolarHBondContact CA-O 3.04Å; H106-L125 PolarHBondContact N-O 2.99Å; H106-L125 PolarHBondContact O-N 3.3Å; V108-L125 HydrophobicContact CG2-CB 4.44Å; F123-L125 HydrophobicContact CD2-CB 4.39Å; F123-L125 HydrophobicContact CE2-CB 4.18Å; L125-E127 HydrophobicContact CD2-CG 4.43Å; L125-E127 HydrophobicContact CG-CG 4.35Å; L125-R136 HydrophobicContact CD1-CB 4.13Å |
| 126 | S | 93.6 | Very high | 89.9 | Confident | 8 Ų | 8 | 75 Ų | 75 | 6% | 0.056 | 38% | 0.384 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.5 | 127.5 | 168.2 | 57.6 | 0 | 0 | 0 | 0 | 111.2 | V104 R136 R137 R139 | V104-S126 CarbonylContact O-C 3.58Å; V104-S126 WeakPolarHBondContact O-CA 3.45Å; S126-R136 WeakPolarHBondContact O-CA 3.36Å; S126-R137 PolarHBondContact N-O 3.2Å; S126-R137 PolarHBondContact O-N 2.96Å; S126-R137 PolarHBondContact OG-O 3.44Å; S126-R139 PolarHBondContact OG-NE 3.32Å |
| 127 | E | 92.6 | Very high | 90.1 | Very high | 28 Ų | 28 | 74.2 Ų | 74.2 | 13% | 0.131 | 37% | 0.373 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.7 | 116.5 | 173.2 | -52.5 | -155.1 | 150.9 | 0 | 0 | 109.7 | E103 V104 L125 T134 E135 R136 | E103-E127 WeakPolarHBondContact CA-O 3.45Å; V104-E127 PolarHBondContact N-O 3.14Å; V104-E127 PolarHBondContact O-N 3.46Å; L125-E127 HydrophobicContact CD2-CG 4.43Å; L125-E127 HydrophobicContact CG-CG 4.35Å; E127-T134 HydrophobicContact CB-CG2 4.01Å; E127-E135 CarbonylContact C-O 3.59Å; E127-E135 VanDerWaalsContact CA-O 3.3Å; E127-E135 WeakPolarHBondContact CA-O 3.46Å; E127-R136 HydrophobicContact CG-CG 4.11Å; E127-R136 IonicContact OE1-CZ 3.88Å; E127-R136 IonicContact OE1-NE 3.5Å; E127-R136 PolarHBondContact OE1-NE 2.96Å; E127-R136 IonicContact OE1-NH2 2.8Å; E127-R136 PolarHBondContact OE1-NH2 3.11Å |
| 128 | L | 89.8 | Confident | 90.3 | Very high | 64 Ų | 64 | 75.4 Ų | 75.4 | 34% | 0.335 | 38% | 0.379 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.1 | 123.4 | 174.4 | -167.3 | 88.7 | 0 | 0 | 0 | 108.9 | E103 T134 E135 | E103-L128 HydrophobicContact CB-CD1 3.98Å; E103-L128 HydrophobicContact CG-CD1 4.28Å; L128-T134 CarbonylContact O-C 3.55Å; L128-T134 WeakPolarHBondContact O-CA 3.32Å; L128-E135 HydrophobicContact CB-CB 4.4Å; L128-E135 PolarHBondContact N-O 3.47Å; L128-E135 PolarHBondContact O-N 3.33Å |
| 129 | K | 85.2 | Confident | 90.3 | Very high | 106 Ų | 106 | 76.8 Ų | 76.8 | 46% | 0.461 | 38% | 0.378 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -93 | 104.8 | 175.3 | -66.9 | -178.4 | -179 | 175.3 | 0 | 110.1 | Q102 | Q102-K129 HydrophobicContact CB-CB 4.49Å; Q102-K129 WeakPolarHBondContact CB-O 3.27Å; Q102-K129 VanDerWaalsContact CD-O 3.23Å; Q102-K129 WeakPolarHBondContact CG-O 3.44Å; Q102-K129 PolarHBondContact O-N 3.48Å; Q102-K129 PolarHBondContact OE1-O 3.29Å |
| 130 | D | 78.5 | Confident | 90.3 | Very high | 118 Ų | 118 | 80.5 Ų | 80.5 | 63% | 0.631 | 40% | 0.398 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -108.2 | 96.9 | 172.3 | -175.3 | 20.1 | 0 | 0 | 0 | 109.9 | S132 R133 | D130-S132 PolarHBondContact O-N 2.99Å; D130-S132 VanDerWaalsContact O-N 3.09Å; D130-R133 PolarHBondContact N-O 2.86Å; D130-R133 PolarHBondContact O-N 2.9Å |
| 131 | G | 79.9 | Confident | 90.4 | Very high | 74 Ų | 74 | 76 Ų | 76 | 76% | 0.763 | 38% | 0.377 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 59.7 | -111.9 | -176 | 0 | 0 | 0 | 0 | 0 | 112.5 | ||
| 132 | S | 77.1 | Confident | 90.4 | Very high | 134 Ų | 134 | 79.3 Ų | 79.3 | 94% | 0.937 | 40% | 0.395 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -92.9 | -7.9 | 177.8 | 62.8 | 0 | 0 | 0 | 0 | 114.3 | D130 | D130-S132 PolarHBondContact O-N 2.99Å; D130-S132 VanDerWaalsContact O-N 3.09Å |
| 133 | R | 79.9 | Confident | 90.3 | Very high | 196 Ų | 196 | 76.3 Ų | 76.3 | 74% | 0.74 | 38% | 0.382 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -105.4 | 128 | -176.3 | -168 | 175.2 | 179.3 | -173.2 | -2 | 110.1 | D130 | D130-R133 PolarHBondContact N-O 2.86Å; D130-R133 PolarHBondContact O-N 2.9Å |
| 134 | T | 84.2 | Confident | 90.1 | Very high | 54 Ų | 54 | 78.8 Ų | 78.8 | 33% | 0.331 | 40% | 0.398 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.4 | 116.9 | 168.4 | -49.8 | 0 | 0 | 0 | 0 | 108.5 | E127 L128 R136 | E127-T134 HydrophobicContact CB-CG2 4.01Å; L128-T134 CarbonylContact O-C 3.55Å; L128-T134 WeakPolarHBondContact O-CA 3.32Å; T134-R136 HydrophobicContact CG2-CG 4.34Å |
| 135 | E | 88.8 | Confident | 89.8 | Confident | 121 Ų | 121 | 77 Ų | 77 | 57% | 0.565 | 39% | 0.39 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -88.1 | 133.4 | 168.4 | -172.9 | 176.6 | 177.1 | 0 | 0 | 109.2 | E127 L128 | E127-E135 CarbonylContact C-O 3.59Å; E127-E135 VanDerWaalsContact CA-O 3.3Å; E127-E135 WeakPolarHBondContact CA-O 3.46Å; L128-E135 HydrophobicContact CB-CB 4.4Å; L128-E135 PolarHBondContact N-O 3.47Å; L128-E135 PolarHBondContact O-N 3.33Å |
| 136 | R | 91.9 | Very high | 89.4 | Confident | 139 Ų | 139 | 81.4 Ų | 81.4 | 53% | 0.525 | 41% | 0.414 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.5 | 130.4 | 179.7 | -68.9 | -173.9 | 176.2 | 135.3 | 2 | 109.8 | L125 S126 E127 T134 | L125-R136 HydrophobicContact CD1-CB 4.13Å; S126-R136 WeakPolarHBondContact O-CA 3.36Å; E127-R136 HydrophobicContact CG-CG 4.11Å; E127-R136 IonicContact OE1-CZ 3.88Å; E127-R136 IonicContact OE1-NE 3.5Å; E127-R136 PolarHBondContact OE1-NE 2.96Å; E127-R136 IonicContact OE1-NH2 2.8Å; E127-R136 PolarHBondContact OE1-NH2 3.11Å; T134-R136 HydrophobicContact CG2-CG 4.34Å |
| 137 | R | 93.2 | Very high | 88.6 | Confident | 165 Ų | 165 | 82 Ų | 82 | 62% | 0.623 | 42% | 0.418 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -139.7 | 138.2 | 179.4 | -171.4 | 177.4 | -173.6 | -178.6 | 4 | 111.4 | S126 | S126-R137 PolarHBondContact N-O 3.2Å; S126-R137 PolarHBondContact O-N 2.96Å; S126-R137 PolarHBondContact OG-O 3.44Å |
| 138 | I | 95.5 | Very high | 87.4 | Confident | 38 Ų | 38 | 86.1 Ų | 86.1 | 20% | 0.195 | 45% | 0.45 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.2 | 125.9 | 171 | -56.6 | 171.8 | 0 | 0 | 0 | 108.2 | F123 Q124 D140 R164 L166 | F123-I138 HydrophobicContact CB-CG2 4.06Å; F123-I138 HydrophobicContact CD2-CG1 4.26Å; F123-I138 HydrophobicContact CD2-CG2 4.3Å; Q124-I138 CarbonylContact O-C 3.54Å; Q124-I138 WeakPolarHBondContact O-CA 3.41Å; I138-D140 WeakPolarHBondContact CG2-O 3.21Å; I138-R164 HydrophobicContact CB-CB 4.22Å; I138-R164 HydrophobicContact CG2-CB 3.99Å; I138-R164 HydrophobicContact CG2-CG 4.39Å; I138-R164 WeakPolarHBondContact O-CD 3.2Å; I138-L166 HydrophobicContact CD1-CD1 3.48Å; I138-L166 VanDerWaalsContact CD1-CD1 3.48Å; I138-L166 HydrophobicContact CD1-CG 3.8Å |
| 139 | R | 92.9 | Very high | 86.3 | Confident | 86 Ų | 86 | 85.6 Ų | 85.6 | 33% | 0.325 | 45% | 0.447 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.8 | -34.1 | -178.8 | -67.1 | -173.7 | 172.2 | -175.7 | -1.4 | 113.2 | E103 Q124 S126 R164 | E103-R139 IonicContact OE1-CZ 2.8Å; E103-R139 IonicContact OE1-NH2 2.87Å; E103-R139 PolarHBondContact OE1-NH2 3.07Å; E103-R139 IonicContact OE2-CZ 3.78Å; E103-R139 IonicContact OE2-NH2 2.58Å; E103-R139 PolarHBondContact OE2-NH2 3.5Å; Q124-R139 HydrophobicContact CB-CB 4.15Å; Q124-R139 PolarHBondContact O-N 3.05Å; S126-R139 PolarHBondContact OG-NE 3.32Å; R139-R164 VanDerWaalsContact C-NE 3.26Å; R139-R164 VanDerWaalsContact O-CZ 3.29Å; R139-R164 PolarHBondContact O-NE 3.29Å; R139-R164 PolarHBondContact O-NH2 2.95Å |
| 140 | D | 95.3 | Very high | 85.5 | Confident | 80 Ų | 80 | 84.1 Ų | 84.1 | 43% | 0.428 | 44% | 0.444 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -145.4 | 147 | -176.3 | -167.9 | 36.8 | 0 | 0 | 0 | 108.8 | F123 Q124 I138 | F123-D140 CarbonylContact C-O 3.54Å; F123-D140 WeakPolarHBondContact CA-O 3.38Å; F123-D140 WeakPolarHBondContact CB-O 3.42Å; Q124-D140 HydrophobicContact CB-CB 4.09Å; Q124-D140 HydrophobicContact CG-CB 4.1Å; Q124-D140 PolarHBondContact N-O 2.99Å; I138-D140 WeakPolarHBondContact CG2-O 3.21Å |
| 141 | L | 97.4 | Very high | 85.4 | Confident | 7 Ų | 7 | 86.4 Ų | 86.4 | 4% | 0.037 | 45% | 0.451 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -148.5 | 125.6 | -179 | 176 | 61.9 | 0 | 0 | 0 | 109.2 | V121 E122 F123 L143 V160 R164 L166 | V121-L141 HydrophobicContact CG1-CD1 3.67Å; E122-L141 CarbonylContact O-C 3.55Å; E122-L141 WeakPolarHBondContact O-CA 2.95Å; F123-L141 HydrophobicContact CB-CB 4.49Å; F123-L141 HydrophobicContact CB-CD1 3.82Å; L141-L143 HydrophobicContact CD1-CD2 3.91Å; L141-L143 HydrophobicContact CD1-CG 4.4Å; L141-L143 HydrophobicContact CG-CD2 4.3Å; L141-L143 HydrophobicContact CG-CG 4.29Å; L141-V160 HydrophobicContact CD2-CG1 3.93Å; L141-R164 HydrophobicContact CB-CG 4.42Å; L141-L166 HydrophobicContact CD1-CD2 3.46Å; L141-L166 VanDerWaalsContact CD1-CD2 3.46Å; L141-L166 HydrophobicContact CD1-CG 4.37Å; L141-L166 HydrophobicContact CD2-CD2 3.96Å; L141-L166 HydrophobicContact CD2-CG 4.44Å; L141-L166 HydrophobicContact CG-CD2 4.4Å |
| 142 | N | 96.2 | Very high | 85.4 | Confident | 70 Ų | 70 | 84.3 Ų | 84.3 | 37% | 0.374 | 43% | 0.425 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.9 | 134.7 | 175.8 | 175.8 | 69.5 | 0 | 0 | 0 | 109.3 | E122 | E122-N142 HydrophobicContact CB-CB 4.38Å; E122-N142 PolarHBondContact N-O 3.21Å; E122-N142 PolarHBondContact O-N 2.93Å |
| 143 | L | 95.4 | Very high | 86 | Confident | 12 Ų | 12 | 78 Ų | 78 | 6% | 0.063 | 38% | 0.38 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.1 | 132.3 | -174.8 | -61.1 | 176 | 0 | 0 | 0 | 110.6 | V121 L141 L157 V160 E161 F169 | V121-L143 HydrophobicContact CB-CD2 4.17Å; V121-L143 HydrophobicContact CG1-CD2 3.77Å; V121-L143 HydrophobicContact CG2-CD2 3.85Å; L141-L143 HydrophobicContact CD1-CD2 3.91Å; L141-L143 HydrophobicContact CD1-CG 4.4Å; L141-L143 HydrophobicContact CG-CD2 4.3Å; L141-L143 HydrophobicContact CG-CG 4.29Å; L143-L157 HydrophobicContact CB-CD2 4.27Å; L143-L157 HydrophobicContact CD1-CD2 3.88Å; L143-V160 HydrophobicContact CD1-CB 4Å; L143-V160 HydrophobicContact CD1-CG1 3.54Å; L143-E161 HydrophobicContact CB-CG 4.31Å; L143-E161 HydrophobicContact CD1-CG 3.97Å; L143-E161 HydrophobicContact CG-CG 3.94Å; L143-E161 PolarHBondContact N-OE1 3.29Å; L143-F169 HydrophobicContact CD1-CD2 3.61Å; L143-F169 HydrophobicContact CD1-CE2 3.9Å; L143-F169 HydrophobicContact CD1-CG 4.24Å; L143-F169 HydrophobicContact CD2-CD1 4.21Å; L143-F169 HydrophobicContact CD2-CD2 4.02Å; L143-F169 HydrophobicContact CD2-CE1 4.14Å; L143-F169 HydrophobicContact CD2-CE2 3.93Å; L143-F169 HydrophobicContact CD2-CG 4.15Å; L143-F169 HydrophobicContact CD2-CZ 3.99Å; L143-F169 HydrophobicContact CG-CD2 4.42Å; L143-F169 HydrophobicContact CG-CE2 4.37Å |
| 144 | V | 92.3 | Very high | 86.6 | Confident | 72 Ų | 72 | 71.1 Ų | 71.1 | 44% | 0.436 | 36% | 0.362 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.1 | 129.1 | 173.9 | -176.5 | 0 | 0 | 0 | 0 | 108.6 | F119 Q120 | F119-V144 CarbonylContact C-O 3.55Å; F119-V144 WeakPolarHBondContact CA-O 3.22Å; Q120-V144 HydrophobicContact CB-CB 4.26Å; Q120-V144 PolarHBondContact N-O 3.37Å; Q120-V144 PolarHBondContact O-N 3.3Å |
| 145 | L | 91.9 | Very high | 87 | Confident | 12 Ų | 12 | 71.1 Ų | 71.1 | 6% | 0.063 | 36% | 0.364 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.4 | 138.3 | 175.3 | -63.5 | -173.8 | 0 | 0 | 0 | 109.7 | F119 S147 L150 L153 L157 F169 | F119-L145 HydrophobicContact CB-CD2 3.34Å; L145-S147 PolarHBondContact O-N 3.32Å; L145-L150 HydrophobicContact CB-CD2 3.97Å; L145-L153 HydrophobicContact CD1-CD1 3.75Å; L145-L157 HydrophobicContact CD1-CD1 3.96Å; L145-L157 HydrophobicContact CD1-CD2 3.92Å; L145-L157 HydrophobicContact CD1-CG 4.42Å; L145-L157 HydrophobicContact CG-CD1 4.26Å; L145-L157 HydrophobicContact CG-CD2 4.34Å; L145-F169 HydrophobicContact CD2-CE2 4.13Å; L145-F169 HydrophobicContact CD2-CZ 3.96Å |
| 146 | D | 85.8 | Confident | 87.4 | Confident | 126 Ų | 126 | 65.3 Ų | 65.3 | 67% | 0.674 | 34% | 0.338 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -94.8 | 89.2 | 167.9 | -168.9 | 9.6 | 0 | 0 | 0 | 108.4 | V118 | V118-D146 HydrophobicContact CB-CB 4.15Å; V118-D146 PolarHBondContact O-N 3.2Å |
| 147 | S | 76.9 | Confident | 87.5 | Confident | 21 Ų | 21 | 59.6 Ų | 59.6 | 15% | 0.147 | 32% | 0.317 | C | S | . | . | trans | -137.7 | 138.4 | 179.1 | -174.8 | 0 | 0 | 0 | 0 | 110 | L145 D149 L150 | L145-S147 PolarHBondContact O-N 3.32Å; S147-D149 PolarHBondContact O-N 2.86Å; S147-D149 PolarHBondContact OG-N 2.87Å; S147-L150 WeakPolarHBondContact O-CG 3.41Å | ||
| 148 | S | 67.8 | Low | 87.6 | Confident | 114 Ų | 114 | 54.4 Ų | 54.4 | 80% | 0.797 | 31% | 0.306 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -64.5 | -25.9 | 170.7 | 46.4 | 0 | 0 | 0 | 0 | 112.5 | ||
| 149 | D | 66.1 | Low | 87.7 | Confident | 52 Ų | 52 | 57.6 Ų | 57.6 | 28% | 0.278 | 32% | 0.316 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -111.1 | 41.3 | -170.4 | -59.3 | -43.1 | 0 | 0 | 0 | 112.6 | S147 Q151 S152 | S147-D149 PolarHBondContact O-N 2.86Å; S147-D149 PolarHBondContact OG-N 2.87Å; D149-Q151 PolarHBondContact O-N 3.27Å; D149-S152 PolarHBondContact O-N 3.39Å; D149-S152 VanDerWaalsContact O-N 3.14Å; D149-S152 PolarHBondContact O-OG 3.4Å |
| 150 | L | 68.4 | Low | 87.9 | Confident | 75 Ų | 75 | 53.5 Ų | 53.5 | 39% | 0.393 | 30% | 0.3 | S | S | . | . | H | α-helix | trans | -54.9 | -21.8 | -179.9 | -75.4 | 167.8 | 0 | 0 | 0 | 114.3 | L145 S147 S152 L153 S154 | L145-L150 HydrophobicContact CB-CD2 3.97Å; S147-L150 WeakPolarHBondContact O-CG 3.41Å; L150-S152 VanDerWaalsContact C-N 3.31Å; L150-S152 PolarHBondContact O-N 3.45Å; L150-L153 PolarHBondContact O-N 2.59Å; L150-S154 WeakPolarHBondContact O-CB 3.27Å; L150-S154 PolarHBondContact O-N 2.92Å |
| 151 | Q | 76.3 | Confident | 88 | Confident | 166 Ų | 166 | 52.4 Ų | 52.4 | 78% | 0.776 | 29% | 0.292 | S | S | * | . | H | α-helix | trans | -61 | -39.5 | 178.5 | -67.2 | -58.9 | -38.1 | 0 | 0 | 112.3 | D149 L153 S154 | D149-Q151 PolarHBondContact O-N 3.27Å; Q151-L153 PolarHBondContact O-N 2.96Å; Q151-S154 PolarHBondContact O-OG 3.17Å |
| 152 | S | 79.3 | Confident | 87.9 | Confident | 31 Ų | 31 | 58.9 Ų | 58.9 | 22% | 0.217 | 32% | 0.323 | C | S | . | . | H | α-helix | trans | -69.1 | -24.4 | -179.5 | 68.4 | 0 | 0 | 0 | 0 | 112.7 | D149 L150 | D149-S152 PolarHBondContact O-N 3.39Å; D149-S152 VanDerWaalsContact O-N 3.14Å; D149-S152 PolarHBondContact O-OG 3.4Å; L150-S152 VanDerWaalsContact C-N 3.31Å; L150-S152 PolarHBondContact O-N 3.45Å |
| 153 | L | 90.6 | Very high | 87.9 | Confident | 1 Ų | 1 | 59.1 Ų | 59.1 | 1% | 0.005 | 33% | 0.327 | C | S | . | . | H | α-helix | trans | -101.4 | -19.9 | -175.6 | -70.5 | 164.1 | 0 | 0 | 0 | 113.5 | L145 L150 Q151 S155 F156 L157 Y176 V229 | L145-L153 HydrophobicContact CD1-CD1 3.75Å; L150-L153 PolarHBondContact O-N 2.59Å; Q151-L153 PolarHBondContact O-N 2.96Å; L153-S155 PolarHBondContact O-N 3.01Å; L153-F156 HydrophobicContact CD2-CD1 4.32Å; L153-F156 WeakPolarHBondContact O-CA 3.48Å; L153-F156 WeakPolarHBondContact O-CB 3.42Å; L153-F156 PolarHBondContact O-N 3.42Å; L153-L157 HydrophobicContact CB-CD1 4.29Å; L153-L157 HydrophobicContact CB-CG 4.35Å; L153-L157 WeakPolarHBondContact O-CG 3.33Å; L153-L157 PolarHBondContact O-N 3.22Å; L153-Y176 HydrophobicContact CD1-CD1 4.38Å; L153-Y176 HydrophobicContact CD1-CE1 4.01Å; L153-Y176 HydrophobicContact CD2-CD2 4.44Å; L153-Y176 HydrophobicContact CD2-CG 4.49Å; L153-V229 HydrophobicContact CD2-CB 3.9Å; L153-V229 HydrophobicContact CD2-CG1 4.12Å; L153-V229 HydrophobicContact CD2-CG2 3.58Å; L153-V229 HydrophobicContact CG-CG2 4.49Å |
| 154 | S | 91.7 | Very high | 88 | Confident | 51 Ų | 51 | 63.4 Ų | 63.4 | 36% | 0.357 | 34% | 0.342 | S | S | . | . | H | α-helix | trans | -49.2 | -56.4 | -172.9 | 60.1 | 0 | 0 | 0 | 0 | 114.1 | L150 Q151 F156 L157 S158 | L150-S154 WeakPolarHBondContact O-CB 3.27Å; L150-S154 PolarHBondContact O-N 2.92Å; Q151-S154 PolarHBondContact O-OG 3.17Å; S154-F156 PolarHBondContact O-N 2.83Å; S154-L157 PolarHBondContact O-N 3.17Å; S154-S158 PolarHBondContact O-N 2.82Å; S154-S158 PolarHBondContact O-OG 2.98Å |
| 155 | S | 94.1 | Very high | 88.2 | Confident | 54 Ų | 54 | 63.2 Ų | 63.2 | 38% | 0.378 | 34% | 0.338 | S | S | . | . | H | α-helix | trans | -63.6 | -29.8 | -179.3 | 73.5 | 0 | 0 | 0 | 0 | 113.3 | L153 R159 T231 | L153-S155 PolarHBondContact O-N 3.01Å; S155-R159 PolarHBondContact O-N 2.96Å; S155-T231 WeakPolarHBondContact O-CG2 3.2Å; S155-T231 PolarHBondContact OG-OG1 2.79Å |
| 156 | F | 95.9 | Very high | 88.3 | Confident | 0 Ų | 0 | 63.9 Ų | 63.9 | 0% | 0 | 34% | 0.342 | C | S | . | . | H | α-helix | trans | -72.3 | -48.3 | 175.8 | 165.4 | -102.8 | 0 | 0 | 0 | 110.9 | L153 S154 S158 R159 V160 L168 F169 T172 V229 G233 | L153-F156 HydrophobicContact CD2-CD1 4.32Å; L153-F156 WeakPolarHBondContact O-CA 3.48Å; L153-F156 WeakPolarHBondContact O-CB 3.42Å; L153-F156 PolarHBondContact O-N 3.42Å; S154-F156 PolarHBondContact O-N 2.83Å; F156-S158 PolarHBondContact O-N 3.11Å; F156-R159 PolarHBondContact O-N 3.48Å; F156-V160 HydrophobicContact CD1-CG2 4.48Å; F156-V160 HydrophobicContact CD2-CG2 4.07Å; F156-V160 HydrophobicContact CE1-CG2 3.99Å; F156-V160 HydrophobicContact CE2-CG2 3.53Å; F156-V160 HydrophobicContact CZ-CG2 3.47Å; F156-V160 VanDerWaalsContact CZ-CG2 3.47Å; F156-V160 WeakPolarHBondContact O-CG2 3.32Å; F156-V160 PolarHBondContact O-N 2.86Å; F156-L168 HydrophobicContact CE2-CD1 4.33Å; F156-L168 HydrophobicContact CE2-CD2 4.09Å; F156-L168 HydrophobicContact CE2-CG 3.82Å; F156-L168 HydrophobicContact CZ-CG 4.24Å; F156-F169 HydrophobicContact CE1-CD2 4.48Å; F156-T172 HydrophobicContact CD1-CG2 4.14Å; F156-T172 HydrophobicContact CD2-CG2 4.33Å; F156-T172 HydrophobicContact CE1-CG2 3.64Å; F156-T172 HydrophobicContact CE2-CG2 3.84Å; F156-T172 HydrophobicContact CG-CG2 4.46Å; F156-T172 HydrophobicContact CZ-CG2 3.48Å; F156-T172 VanDerWaalsContact CZ-CG2 3.48Å; F156-T172 WeakPolarHBondContact CZ-OG1 3.26Å; F156-V229 HydrophobicContact CB-CG1 3.94Å; F156-V229 HydrophobicContact CD1-CG1 4.19Å; F156-V229 HydrophobicContact CD2-CG1 4.19Å; F156-V229 HydrophobicContact CG-CG1 3.83Å; F156-G233 VanDerWaalsContact CE2-CA 3.44Å |
| 157 | L | 95.3 | Very high | 88.7 | Confident | 18 Ų | 18 | 62.6 Ų | 62.6 | 9% | 0.094 | 34% | 0.335 | C | S | . | . | H | α-helix | trans | -58.5 | -47.8 | 179.1 | -66.7 | 176.4 | 0 | 0 | 0 | 111.2 | L143 L145 L153 S154 R159 V160 E161 F169 | L143-L157 HydrophobicContact CB-CD2 4.27Å; L143-L157 HydrophobicContact CD1-CD2 3.88Å; L145-L157 HydrophobicContact CD1-CD1 3.96Å; L145-L157 HydrophobicContact CD1-CD2 3.92Å; L145-L157 HydrophobicContact CD1-CG 4.42Å; L145-L157 HydrophobicContact CG-CD1 4.26Å; L145-L157 HydrophobicContact CG-CD2 4.34Å; L153-L157 HydrophobicContact CB-CD1 4.29Å; L153-L157 HydrophobicContact CB-CG 4.35Å; L153-L157 WeakPolarHBondContact O-CG 3.33Å; L153-L157 PolarHBondContact O-N 3.22Å; S154-L157 PolarHBondContact O-N 3.17Å; L157-R159 VanDerWaalsContact C-N 3.31Å; L157-R159 PolarHBondContact O-N 3.37Å; L157-V160 PolarHBondContact O-N 3.36Å; L157-E161 WeakPolarHBondContact O-CG 3.3Å; L157-E161 PolarHBondContact O-N 2.84Å; L157-F169 HydrophobicContact CD2-CD2 4.28Å; L157-F169 HydrophobicContact CD2-CE2 3.98Å |
| 158 | S | 95.2 | Very high | 89.7 | Confident | 56 Ų | 56 | 63.2 Ų | 63.2 | 39% | 0.392 | 34% | 0.336 | S | S | . | . | H | α-helix | trans | -57.4 | -43.4 | 178.2 | -56.5 | 0 | 0 | 0 | 0 | 112.1 | S154 F156 V160 E161 E162 | S154-S158 PolarHBondContact O-N 2.82Å; S154-S158 PolarHBondContact O-OG 2.98Å; F156-S158 PolarHBondContact O-N 3.11Å; S158-V160 PolarHBondContact O-N 3.5Å; S158-E161 PolarHBondContact O-N 3.23Å; S158-E162 WeakPolarHBondContact O-CB 3.38Å; S158-E162 VanDerWaalsContact O-CG 3.25Å; S158-E162 WeakPolarHBondContact O-CG 3.06Å; S158-E162 PolarHBondContact O-N 2.86Å |
| 159 | R | 96.6 | Very high | 91 | Very high | 106 Ų | 106 | 57.8 Ų | 57.8 | 40% | 0.4 | 30% | 0.298 | S | S | . | . | H | α-helix | trans | -64.6 | -41.1 | 176.1 | -175.1 | -161.4 | 177.6 | 158 | -2.9 | 111.9 | S155 F156 L157 E162 T163 T231 | S155-R159 PolarHBondContact O-N 2.96Å; F156-R159 PolarHBondContact O-N 3.48Å; L157-R159 VanDerWaalsContact C-N 3.31Å; L157-R159 PolarHBondContact O-N 3.37Å; R159-E162 PolarHBondContact O-N 2.92Å; R159-T163 HydrophobicContact CG-CG2 4.12Å; R159-T163 WeakPolarHBondContact O-CB 3.16Å; R159-T163 WeakPolarHBondContact O-CG2 3.35Å; R159-T163 PolarHBondContact O-N 3.23Å; R159-T163 PolarHBondContact O-OG1 3.41Å; R159-T231 HydrophobicContact CB-CG2 3.74Å; R159-T231 WeakPolarHBondContact CD-O 3.29Å; R159-T231 HydrophobicContact CG-CG2 4.15Å; R159-T231 VanDerWaalsContact NH1-C 3.34Å; R159-T231 PolarHBondContact NH1-O 3.04Å |
| 160 | V | 97.3 | Very high | 92.4 | Very high | 0 Ų | 0 | 57.4 Ų | 57.4 | 0% | 0 | 29% | 0.294 | C | S | . | . | H | α-helix | trans | -64.3 | -43.6 | 179.7 | 170 | 0 | 0 | 0 | 0 | 110.5 | L141 L143 F156 L157 S158 T163 R164 D165 L168 F169 | L141-V160 HydrophobicContact CD2-CG1 3.93Å; L143-V160 HydrophobicContact CD1-CB 4Å; L143-V160 HydrophobicContact CD1-CG1 3.54Å; F156-V160 HydrophobicContact CD1-CG2 4.48Å; F156-V160 HydrophobicContact CD2-CG2 4.07Å; F156-V160 HydrophobicContact CE1-CG2 3.99Å; F156-V160 HydrophobicContact CE2-CG2 3.53Å; F156-V160 HydrophobicContact CZ-CG2 3.47Å; F156-V160 VanDerWaalsContact CZ-CG2 3.47Å; F156-V160 WeakPolarHBondContact O-CG2 3.32Å; F156-V160 PolarHBondContact O-N 2.86Å; L157-V160 PolarHBondContact O-N 3.36Å; S158-V160 PolarHBondContact O-N 3.5Å; V160-T163 PolarHBondContact O-N 3.28Å; V160-T163 PolarHBondContact O-OG1 2.82Å; V160-R164 VanDerWaalsContact O-CA 3.27Å; V160-R164 WeakPolarHBondContact O-CA 3.3Å; V160-R164 PolarHBondContact O-N 2.83Å; V160-D165 WeakPolarHBondContact CG1-O 3.5Å; V160-D165 PolarHBondContact O-N 3.42Å; V160-L168 HydrophobicContact CG2-CD2 4.17Å; V160-L168 HydrophobicContact CG2-CG 4.33Å; V160-F169 HydrophobicContact CG1-CB 3.85Å |
| 161 | E | 96.8 | Very high | 93.7 | Very high | 56 Ų | 56 | 61.8 Ų | 61.8 | 26% | 0.262 | 31% | 0.305 | S | S | . | . | H | α-helix | trans | -59.4 | -45.9 | 174.9 | -68.9 | 176.1 | 149.2 | 0 | 0 | 111.2 | L143 L157 S158 R164 | L143-E161 HydrophobicContact CB-CG 4.31Å; L143-E161 HydrophobicContact CD1-CG 3.97Å; L143-E161 HydrophobicContact CG-CG 3.94Å; L143-E161 PolarHBondContact N-OE1 3.29Å; L157-E161 WeakPolarHBondContact O-CG 3.3Å; L157-E161 PolarHBondContact O-N 2.84Å; S158-E161 PolarHBondContact O-N 3.23Å; E161-R164 PolarHBondContact O-N 2.9Å |
| 162 | E | 96.7 | Very high | 94.6 | Very high | 144 Ų | 144 | 54.1 Ų | 54.1 | 67% | 0.673 | 27% | 0.27 | S | S | * | . | H | α-helix | trans | -62.2 | -44.9 | 176.9 | -73.9 | 170.9 | -169.7 | 0 | 0 | 113 | S158 R159 | S158-E162 WeakPolarHBondContact O-CB 3.38Å; S158-E162 VanDerWaalsContact O-CG 3.25Å; S158-E162 WeakPolarHBondContact O-CG 3.06Å; S158-E162 PolarHBondContact O-N 2.86Å; R159-E162 PolarHBondContact O-N 2.92Å |
| 163 | T | 96.6 | Very high | 95.3 | Very high | 75 Ų | 75 | 52.6 Ų | 52.6 | 46% | 0.46 | 26% | 0.259 | S | S | . | . | H | α-helix | trans | -83.8 | -16.6 | -176.7 | 56.2 | 0 | 0 | 0 | 0 | 113.2 | R159 V160 D165 | R159-T163 HydrophobicContact CG-CG2 4.12Å; R159-T163 WeakPolarHBondContact O-CB 3.16Å; R159-T163 WeakPolarHBondContact O-CG2 3.35Å; R159-T163 PolarHBondContact O-N 3.23Å; R159-T163 PolarHBondContact O-OG1 3.41Å; V160-T163 PolarHBondContact O-N 3.28Å; V160-T163 PolarHBondContact O-OG1 2.82Å; T163-D165 PolarHBondContact O-N 2.64Å |
| 164 | R | 97 | Very high | 95.5 | Very high | 102 Ų | 102 | 56.9 Ų | 56.9 | 39% | 0.385 | 28% | 0.275 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 60.3 | 30.6 | -176 | -49.9 | 175.2 | -177 | 92.6 | -5.6 | 113.3 | I138 R139 L141 V160 E161 L166 | I138-R164 HydrophobicContact CB-CB 4.22Å; I138-R164 HydrophobicContact CG2-CB 3.99Å; I138-R164 HydrophobicContact CG2-CG 4.39Å; I138-R164 WeakPolarHBondContact O-CD 3.2Å; R139-R164 VanDerWaalsContact C-NE 3.26Å; R139-R164 VanDerWaalsContact O-CZ 3.29Å; R139-R164 PolarHBondContact O-NE 3.29Å; R139-R164 PolarHBondContact O-NH2 2.95Å; L141-R164 HydrophobicContact CB-CG 4.42Å; V160-R164 VanDerWaalsContact O-CA 3.27Å; V160-R164 WeakPolarHBondContact O-CA 3.3Å; V160-R164 PolarHBondContact O-N 2.83Å; E161-R164 PolarHBondContact O-N 2.9Å; R164-L166 PolarHBondContact O-N 2.68Å |
| 165 | D | 96 | Very high | 95.6 | Very high | 67 Ų | 67 | 56.3 Ų | 56.3 | 36% | 0.358 | 27% | 0.272 | S | S | . | . | trans | -89.4 | 81.3 | -175.4 | -166 | -18.9 | 0 | 0 | 0 | 111.8 | V160 T163 L167 L168 F169 | V160-D165 WeakPolarHBondContact CG1-O 3.5Å; V160-D165 PolarHBondContact O-N 3.42Å; T163-D165 PolarHBondContact O-N 2.64Å; D165-L167 PolarHBondContact O-N 2.69Å; D165-L167 PolarHBondContact OD1-N 2.73Å; D165-L167 VanDerWaalsContact OD1-N 3.15Å; D165-L168 HydrophobicContact CB-CB 3.89Å; D165-L168 PolarHBondContact O-N 2.85Å; D165-L168 WeakPolarHBondContact OD1-CB 3.36Å; D165-L168 PolarHBondContact OD1-N 3.44Å; D165-L168 WeakPolarHBondContact OD2-CB 3.25Å; D165-F169 PolarHBondContact O-N 2.89Å | ||
| 166 | L | 95.1 | Very high | 95.6 | Very high | 27 Ų | 27 | 54.1 Ų | 54.1 | 14% | 0.141 | 26% | 0.255 | C | S | . | . | H | α-helix | trans | -59.3 | -31.2 | 175.4 | -74.5 | -178.5 | 0 | 0 | 0 | 113 | V121 F123 I138 L141 R164 F169 F170 | V121-L166 HydrophobicContact CG1-CD2 3.51Å; F123-L166 HydrophobicContact CD1-CD1 4.01Å; F123-L166 HydrophobicContact CD2-CD1 4.29Å; F123-L166 HydrophobicContact CE1-CD1 3.9Å; F123-L166 HydrophobicContact CE2-CD1 4.18Å; F123-L166 HydrophobicContact CG-CD1 4.2Å; F123-L166 HydrophobicContact CZ-CD1 3.98Å; I138-L166 HydrophobicContact CD1-CD1 3.48Å; I138-L166 VanDerWaalsContact CD1-CD1 3.48Å; I138-L166 HydrophobicContact CD1-CG 3.8Å; L141-L166 HydrophobicContact CD1-CD2 3.46Å; L141-L166 VanDerWaalsContact CD1-CD2 3.46Å; L141-L166 HydrophobicContact CD1-CG 4.37Å; L141-L166 HydrophobicContact CD2-CD2 3.96Å; L141-L166 HydrophobicContact CD2-CG 4.44Å; L141-L166 HydrophobicContact CG-CD2 4.4Å; R164-L166 PolarHBondContact O-N 2.68Å; L166-F169 WeakPolarHBondContact O-CB 3.49Å; L166-F169 PolarHBondContact O-N 2.86Å; L166-F170 HydrophobicContact CB-CE2 4.38Å; L166-F170 HydrophobicContact CD2-CE2 4.46Å; L166-F170 WeakPolarHBondContact O-CD2 3.46Å; L166-F170 PolarHBondContact O-N 2.84Å |
| 167 | L | 93.9 | Very high | 95.5 | Very high | 98 Ų | 98 | 54.3 Ų | 54.3 | 51% | 0.513 | 26% | 0.256 | S | S | . | . | H | α-helix | trans | -69.3 | -43.9 | -179.4 | 179.1 | 62.5 | 0 | 0 | 0 | 110.4 | D165 F169 F170 R171 | D165-L167 PolarHBondContact O-N 2.69Å; D165-L167 PolarHBondContact OD1-N 2.73Å; D165-L167 VanDerWaalsContact OD1-N 3.15Å; L167-F169 VanDerWaalsContact C-N 3.32Å; L167-F170 PolarHBondContact O-N 3.13Å; L167-R171 HydrophobicContact CD1-CG 4.3Å; L167-R171 WeakPolarHBondContact O-CB 3.44Å; L167-R171 WeakPolarHBondContact O-CG 3.29Å; L167-R171 PolarHBondContact O-N 2.84Å |
| 168 | L | 96.2 | Very high | 95.4 | Very high | 34 Ų | 34 | 56.6 Ų | 56.6 | 18% | 0.178 | 27% | 0.267 | C | S | . | . | H | α-helix | trans | -60 | -44.8 | 174.1 | -179.6 | 60.2 | 0 | 0 | 0 | 110.8 | F156 V160 D165 R171 T172 | F156-L168 HydrophobicContact CE2-CD1 4.33Å; F156-L168 HydrophobicContact CE2-CD2 4.09Å; F156-L168 HydrophobicContact CE2-CG 3.82Å; F156-L168 HydrophobicContact CZ-CG 4.24Å; V160-L168 HydrophobicContact CG2-CD2 4.17Å; V160-L168 HydrophobicContact CG2-CG 4.33Å; D165-L168 HydrophobicContact CB-CB 3.89Å; D165-L168 PolarHBondContact O-N 2.85Å; D165-L168 WeakPolarHBondContact OD1-CB 3.36Å; D165-L168 PolarHBondContact OD1-N 3.44Å; D165-L168 WeakPolarHBondContact OD2-CB 3.25Å; L168-R171 PolarHBondContact O-N 3.21Å; L168-T172 WeakPolarHBondContact O-CB 3.34Å; L168-T172 PolarHBondContact O-N 3.3Å; L168-T172 PolarHBondContact O-OG1 3.29Å; L168-T172 VanDerWaalsContact O-OG1 3.11Å |
| 169 | F | 96.5 | Very high | 95.3 | Very high | 0 Ų | 0 | 56.7 Ų | 56.7 | 0% | 0 | 26% | 0.26 | C | S | . | . | H | α-helix | trans | -50.8 | -61.9 | 174.3 | 179 | -113.2 | 0 | 0 | 0 | 112.1 | F119 V121 L143 L145 F156 L157 V160 D165 L166 L167 R171 T172 I173 | F119-F169 HydrophobicContact CB-CZ 4.19Å; F119-F169 HydrophobicContact CD2-CE1 4.26Å; F119-F169 HydrophobicContact CG-CE1 4.47Å; F119-F169 HydrophobicContact CG-CZ 4.37Å; V121-F169 HydrophobicContact CG2-CD1 3.98Å; V121-F169 HydrophobicContact CG2-CE1 3.31Å; V121-F169 HydrophobicContact CG2-CZ 3.96Å; L143-F169 HydrophobicContact CD1-CD2 3.61Å; L143-F169 HydrophobicContact CD1-CE2 3.9Å; L143-F169 HydrophobicContact CD1-CG 4.24Å; L143-F169 HydrophobicContact CD2-CD1 4.21Å; L143-F169 HydrophobicContact CD2-CD2 4.02Å; L143-F169 HydrophobicContact CD2-CE1 4.14Å; L143-F169 HydrophobicContact CD2-CE2 3.93Å; L143-F169 HydrophobicContact CD2-CG 4.15Å; L143-F169 HydrophobicContact CD2-CZ 3.99Å; L143-F169 HydrophobicContact CG-CD2 4.42Å; L143-F169 HydrophobicContact CG-CE2 4.37Å; L145-F169 HydrophobicContact CD2-CE2 4.13Å; L145-F169 HydrophobicContact CD2-CZ 3.96Å; F156-F169 HydrophobicContact CE1-CD2 4.48Å; L157-F169 HydrophobicContact CD2-CD2 4.28Å; L157-F169 HydrophobicContact CD2-CE2 3.98Å; V160-F169 HydrophobicContact CG1-CB 3.85Å; D165-F169 PolarHBondContact O-N 2.89Å; L166-F169 WeakPolarHBondContact O-CB 3.49Å; L166-F169 PolarHBondContact O-N 2.86Å; L167-F169 VanDerWaalsContact C-N 3.32Å; F169-R171 VanDerWaalsContact C-N 3.31Å; F169-R171 PolarHBondContact O-N 3.35Å; F169-T172 PolarHBondContact O-N 2.87Å; F169-I173 HydrophobicContact CD1-CD1 4.09Å; F169-I173 HydrophobicContact CD2-CG2 3.88Å; F169-I173 HydrophobicContact CE1-CD1 3.56Å; F169-I173 HydrophobicContact CE1-CG2 4.49Å; F169-I173 HydrophobicContact CE2-CD1 4.42Å; F169-I173 HydrophobicContact CE2-CG2 3.51Å; F169-I173 HydrophobicContact CZ-CD1 3.75Å; F169-I173 HydrophobicContact CZ-CG2 3.86Å; F169-I173 WeakPolarHBondContact O-CG2 3.4Å; F169-I173 PolarHBondContact O-N 2.94Å |
| 170 | F | 95.3 | Very high | 95.1 | Very high | 44 Ų | 44 | 52.6 Ų | 52.6 | 19% | 0.193 | 25% | 0.248 | C | C | . | . | H | α-helix | trans | -63.3 | -36.9 | -174.1 | -73.6 | -59.5 | 0 | 0 | 0 | 112.5 | I87 L110 F119 V121 L166 L167 I173 R174 | I87-F170 HydrophobicContact CD1-CB 3.85Å; I87-F170 HydrophobicContact CD1-CD1 3.85Å; I87-F170 HydrophobicContact CD1-CG 4.24Å; L110-F170 HydrophobicContact CD1-CZ 4.14Å; F119-F170 AromaticContact CE2-CE1 3.72Å; F119-F170 HydrophobicContact CE2-CE1 3.72Å; F119-F170 HydrophobicContact CZ-CD1 4.42Å; F119-F170 AromaticContact CZ-CE1 3.82Å; F119-F170 HydrophobicContact CZ-CE1 3.82Å; V121-F170 HydrophobicContact CG2-CE1 4.42Å; V121-F170 HydrophobicContact CG2-CZ 4.16Å; L166-F170 HydrophobicContact CB-CE2 4.38Å; L166-F170 HydrophobicContact CD2-CE2 4.46Å; L166-F170 WeakPolarHBondContact O-CD2 3.46Å; L166-F170 PolarHBondContact O-N 2.84Å; L167-F170 PolarHBondContact O-N 3.13Å; F170-I173 HydrophobicContact CD1-CD1 3.84Å; F170-I173 HydrophobicContact CE1-CD1 4.42Å; F170-I173 WeakPolarHBondContact O-CG1 3.39Å; F170-R174 VanDerWaalsContact O-CB 3.29Å; F170-R174 WeakPolarHBondContact O-CB 3.25Å; F170-R174 PolarHBondContact O-N 3.46Å |
| 171 | R | 94.9 | Very high | 94.9 | Very high | 168 Ų | 168 | 54.4 Ų | 54.4 | 63% | 0.634 | 26% | 0.257 | S | S | * | . | H | α-helix | trans | -65 | -45.2 | 176.1 | -76.5 | 178.7 | 171.5 | 179.7 | -1.5 | 112.1 | L167 L168 F169 S175 | L167-R171 HydrophobicContact CD1-CG 4.3Å; L167-R171 WeakPolarHBondContact O-CB 3.44Å; L167-R171 WeakPolarHBondContact O-CG 3.29Å; L167-R171 PolarHBondContact O-N 2.84Å; L168-R171 PolarHBondContact O-N 3.21Å; F169-R171 VanDerWaalsContact C-N 3.31Å; F169-R171 PolarHBondContact O-N 3.35Å; R171-S175 PolarHBondContact O-N 3.39Å; R171-S175 VanDerWaalsContact O-N 3.17Å |
| 172 | T | 95.6 | Very high | 94.8 | Very high | 4 Ų | 4 | 53.6 Ų | 53.6 | 3% | 0.025 | 25% | 0.254 | C | S | . | . | H | α-helix | trans | -70.7 | -45.4 | -177.7 | -64.3 | 0 | 0 | 0 | 0 | 111.7 | F156 L168 F169 R174 S175 Y176 V229 G233 V235 | F156-T172 HydrophobicContact CD1-CG2 4.14Å; F156-T172 HydrophobicContact CD2-CG2 4.33Å; F156-T172 HydrophobicContact CE1-CG2 3.64Å; F156-T172 HydrophobicContact CE2-CG2 3.84Å; F156-T172 HydrophobicContact CG-CG2 4.46Å; F156-T172 HydrophobicContact CZ-CG2 3.48Å; F156-T172 VanDerWaalsContact CZ-CG2 3.48Å; F156-T172 WeakPolarHBondContact CZ-OG1 3.26Å; L168-T172 WeakPolarHBondContact O-CB 3.34Å; L168-T172 PolarHBondContact O-N 3.3Å; L168-T172 PolarHBondContact O-OG1 3.29Å; L168-T172 VanDerWaalsContact O-OG1 3.11Å; F169-T172 PolarHBondContact O-N 2.87Å; T172-R174 VanDerWaalsContact C-N 3.3Å; T172-R174 PolarHBondContact O-N 3.3Å; T172-S175 PolarHBondContact O-N 3.29Å; T172-Y176 VanDerWaalsContact O-CB 3.32Å; T172-Y176 WeakPolarHBondContact O-CB 3.46Å; T172-Y176 PolarHBondContact O-N 2.92Å; T172-V229 HydrophobicContact CG2-CG1 3.48Å; T172-V229 VanDerWaalsContact CG2-CG1 3.48Å; T172-G233 WeakPolarHBondContact OG1-CA 3.31Å; T172-G233 PolarHBondContact OG1-O 2.94Å; T172-V235 HydrophobicContact CG2-CG2 3.97Å |
| 173 | I | 94 | Very high | 94.7 | Very high | 0 Ų | 0 | 47.1 Ų | 47.1 | 0% | 0 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -62.2 | -39.9 | 179.4 | 68.6 | -177.8 | 0 | 0 | 0 | 111.4 | L117 F119 F169 F170 S175 Y176 S177 | L117-I173 HydrophobicContact CD2-CB 4.11Å; L117-I173 HydrophobicContact CD2-CG2 4.47Å; F119-I173 HydrophobicContact CD1-CD1 3.68Å; F119-I173 HydrophobicContact CE1-CD1 3.78Å; F119-I173 HydrophobicContact CG-CD1 4.19Å; F119-I173 HydrophobicContact CZ-CD1 4.39Å; F169-I173 HydrophobicContact CD1-CD1 4.09Å; F169-I173 HydrophobicContact CD2-CG2 3.88Å; F169-I173 HydrophobicContact CE1-CD1 3.56Å; F169-I173 HydrophobicContact CE1-CG2 4.49Å; F169-I173 HydrophobicContact CE2-CD1 4.42Å; F169-I173 HydrophobicContact CE2-CG2 3.51Å; F169-I173 HydrophobicContact CZ-CD1 3.75Å; F169-I173 HydrophobicContact CZ-CG2 3.86Å; F169-I173 WeakPolarHBondContact O-CG2 3.4Å; F169-I173 PolarHBondContact O-N 2.94Å; F170-I173 HydrophobicContact CD1-CD1 3.84Å; F170-I173 HydrophobicContact CE1-CD1 4.42Å; F170-I173 WeakPolarHBondContact O-CG1 3.39Å; I173-S175 PolarHBondContact O-N 2.93Å; I173-Y176 PolarHBondContact O-N 2.96Å; I173-S177 WeakPolarHBondContact O-CB 3.24Å; I173-S177 PolarHBondContact O-N 3.38Å; I173-S177 PolarHBondContact O-OG 2.91Å |
| 174 | R | 94.1 | Very high | 94.7 | Very high | 90 Ų | 90 | 45.2 Ų | 45.2 | 34% | 0.34 | 21% | 0.212 | S | C | . | . | H | α-helix | trans | -58.9 | -50.3 | 175.9 | 176.8 | -159.1 | 172.6 | 148.8 | 6.4 | 110.8 | M84 N85 I87 F170 T172 Y176 S177 E178 | M84-R174 PolarHBondContact O-NH1 3.4Å; M84-R174 PolarHBondContact O-NH2 3.24Å; N85-R174 WeakPolarHBondContact O-CD 3.49Å; N85-R174 WeakPolarHBondContact O-CG 3.28Å; N85-R174 PolarHBondContact O-NE 2.95Å; N85-R174 PolarHBondContact O-NH1 2.88Å; I87-R174 HydrophobicContact CD1-CB 4.28Å; I87-R174 HydrophobicContact CG1-CB 4.41Å; F170-R174 VanDerWaalsContact O-CB 3.29Å; F170-R174 WeakPolarHBondContact O-CB 3.25Å; F170-R174 PolarHBondContact O-N 3.46Å; T172-R174 VanDerWaalsContact C-N 3.3Å; T172-R174 PolarHBondContact O-N 3.3Å; R174-Y176 VanDerWaalsContact C-N 3.34Å; R174-S177 WeakPolarHBondContact CA-OG 3.28Å; R174-S177 PolarHBondContact O-N 2.93Å; R174-S177 PolarHBondContact O-OG 3.4Å; R174-E178 VanDerWaalsContact O-CB 3.3Å; R174-E178 WeakPolarHBondContact O-CB 3.26Å; R174-E178 PolarHBondContact O-N 3.25Å |
| 175 | S | 94.4 | Very high | 94.6 | Very high | 40 Ų | 40 | 46.5 Ų | 46.5 | 28% | 0.28 | 22% | 0.217 | S | C | . | . | H | α-helix | trans | -66.1 | -39.2 | -178.6 | -177.6 | 0 | 0 | 0 | 0 | 111.6 | R171 T172 I173 K179 | R171-S175 PolarHBondContact O-N 3.39Å; R171-S175 VanDerWaalsContact O-N 3.17Å; T172-S175 PolarHBondContact O-N 3.29Å; I173-S175 PolarHBondContact O-N 2.93Å; S175-K179 VanDerWaalsContact O-CG 3.3Å; S175-K179 WeakPolarHBondContact O-CG 3.4Å; S175-K179 PolarHBondContact O-N 3.47Å; S175-K179 VanDerWaalsContact O-N 3.11Å |
| 176 | Y | 94.2 | Very high | 94.7 | Very high | 8 Ų | 8 | 43.6 Ų | 43.6 | 3% | 0.031 | 20% | 0.202 | C | C | . | . | H | α-helix | trans | -62.3 | -50.6 | 175.7 | 174.6 | -95.1 | 0 | 0 | 0 | 111.6 | L117 L153 T172 I173 R174 E178 K179 C180 V227 V229 | L117-Y176 HydrophobicContact CD2-CD1 4.06Å; L117-Y176 HydrophobicContact CD2-CE1 4.47Å; L153-Y176 HydrophobicContact CD1-CD1 4.38Å; L153-Y176 HydrophobicContact CD1-CE1 4.01Å; L153-Y176 HydrophobicContact CD2-CD2 4.44Å; L153-Y176 HydrophobicContact CD2-CG 4.49Å; T172-Y176 VanDerWaalsContact O-CB 3.32Å; T172-Y176 WeakPolarHBondContact O-CB 3.46Å; T172-Y176 PolarHBondContact O-N 2.92Å; I173-Y176 PolarHBondContact O-N 2.96Å; R174-Y176 VanDerWaalsContact C-N 3.34Å; Y176-E178 VanDerWaalsContact C-N 3.32Å; Y176-E178 PolarHBondContact O-N 3.38Å; Y176-K179 PolarHBondContact O-N 3.2Å; Y176-C180 PolarHBondContact O-N 2.95Å; Y176-C180 PolarHBondContact O-SG 2.85Å; Y176-V227 HydrophobicContact CD2-CB 4.14Å; Y176-V227 HydrophobicContact CD2-CG1 3.62Å; Y176-V227 HydrophobicContact CE2-CB 3.93Å; Y176-V227 HydrophobicContact CE2-CG1 3.94Å; Y176-V229 HydrophobicContact CD2-CG2 3.44Å; Y176-V229 VanDerWaalsContact CD2-CG2 3.44Å; Y176-V229 HydrophobicContact CE2-CG2 4.09Å; Y176-V229 HydrophobicContact CG-CG2 4.2Å |
| 177 | S | 93.1 | Very high | 94.8 | Very high | 4 Ų | 4 | 42.3 Ų | 42.3 | 3% | 0.028 | 20% | 0.195 | C | C | . | . | H | α-helix | trans | -63.8 | -38.1 | 179.8 | 56.7 | 0 | 0 | 0 | 0 | 112.2 | S114 I173 R174 K179 C180 D181 | S114-S177 WeakPolarHBondContact CB-OG 3.45Å; S114-S177 VanDerWaalsContact O-CB 3.25Å; S114-S177 WeakPolarHBondContact O-CB 3.34Å; S114-S177 PolarHBondContact OG-OG 3.23Å; I173-S177 WeakPolarHBondContact O-CB 3.24Å; I173-S177 PolarHBondContact O-N 3.38Å; I173-S177 PolarHBondContact O-OG 2.91Å; R174-S177 WeakPolarHBondContact CA-OG 3.28Å; R174-S177 PolarHBondContact O-N 2.93Å; R174-S177 PolarHBondContact O-OG 3.4Å; S177-K179 VanDerWaalsContact C-N 3.33Å; S177-K179 PolarHBondContact O-N 2.97Å; S177-C180 PolarHBondContact O-N 3.35Å; S177-D181 WeakPolarHBondContact O-CB 3.45Å; S177-D181 PolarHBondContact O-N 2.78Å |
| 178 | E | 93.3 | Very high | 94.9 | Very high | 66 Ų | 66 | 41.6 Ų | 41.6 | 31% | 0.308 | 19% | 0.189 | S | C | . | . | H | α-helix | trans | -61.4 | -41.5 | 174.8 | -177.9 | -178.9 | 179.4 | 0 | 0 | 111.3 | Y115 R174 Y176 D181 D182 | Y115-E178 HydrophobicContact CE2-CB 4.12Å; R174-E178 VanDerWaalsContact O-CB 3.3Å; R174-E178 WeakPolarHBondContact O-CB 3.26Å; R174-E178 PolarHBondContact O-N 3.25Å; Y176-E178 VanDerWaalsContact C-N 3.32Å; Y176-E178 PolarHBondContact O-N 3.38Å; E178-D181 PolarHBondContact O-N 3.46Å; E178-D182 VanDerWaalsContact O-CG 3.29Å; E178-D182 PolarHBondContact O-N 2.81Å |
| 179 | K | 93.7 | Very high | 95 | Very high | 57 Ų | 57 | 43.7 Ų | 43.7 | 25% | 0.248 | 20% | 0.198 | C | C | . | . | H | α-helix | trans | -69.8 | -33.3 | 177.3 | -66.3 | -68 | 145.2 | -134.8 | 0 | 112.9 | S175 Y176 S177 D182 R183 V227 V235 P237 | S175-K179 VanDerWaalsContact O-CG 3.3Å; S175-K179 WeakPolarHBondContact O-CG 3.4Å; S175-K179 PolarHBondContact O-N 3.47Å; S175-K179 VanDerWaalsContact O-N 3.11Å; Y176-K179 PolarHBondContact O-N 3.2Å; S177-K179 VanDerWaalsContact C-N 3.33Å; S177-K179 PolarHBondContact O-N 2.97Å; K179-D182 IonicContact NZ-OD2 3.72Å; K179-D182 PolarHBondContact NZ-OD2 3.15Å; K179-R183 PolarHBondContact O-N 3.42Å; K179-R183 VanDerWaalsContact O-N 3.14Å; K179-V227 HydrophobicContact CB-CG1 3.92Å; K179-V227 HydrophobicContact CB-CG2 3.9Å; K179-V235 HydrophobicContact CB-CG1 4.48Å; K179-V235 HydrophobicContact CG-CG1 4.06Å; K179-P237 HydrophobicContact CD-CG 4.38Å |
| 180 | C | 92.3 | Very high | 95 | Very high | 21 Ų | 21 | 43.8 Ų | 43.8 | 14% | 0.142 | 20% | 0.198 | C | C | . | . | H | α-helix | trans | -69.3 | -38.9 | 173.3 | -62.6 | 0 | 0 | 0 | 0 | 111.5 | Y176 S177 R183 T184 | Y176-C180 PolarHBondContact O-N 2.95Å; Y176-C180 PolarHBondContact O-SG 2.85Å; S177-C180 PolarHBondContact O-N 3.35Å; C180-R183 PolarHBondContact O-N 3.14Å; C180-T184 WeakPolarHBondContact O-CB 3.46Å; C180-T184 PolarHBondContact O-N 2.84Å; C180-T184 PolarHBondContact O-OG1 2.86Å |
| 181 | D | 93.4 | Very high | 95.1 | Very high | 37 Ų | 37 | 45.2 Ų | 45.2 | 20% | 0.198 | 21% | 0.205 | C | C | . | . | H | α-helix | trans | -65.2 | -44.2 | 174.3 | 177.6 | 77.6 | 0 | 0 | 0 | 111.6 | Y115 S177 E178 R183 T184 R185 | Y115-D181 HydrophobicContact CD1-CB 3.53Å; Y115-D181 WeakPolarHBondContact CD1-OD1 3.44Å; Y115-D181 HydrophobicContact CE1-CB 3.79Å; Y115-D181 VanDerWaalsContact CE1-CG 3.45Å; Y115-D181 WeakPolarHBondContact CE1-OD2 3.32Å; Y115-D181 HydrophobicContact CG-CB 4.06Å; S177-D181 WeakPolarHBondContact O-CB 3.45Å; S177-D181 PolarHBondContact O-N 2.78Å; E178-D181 PolarHBondContact O-N 3.46Å; D181-R183 VanDerWaalsContact C-N 3.34Å; D181-R183 PolarHBondContact O-N 3.41Å; D181-T184 PolarHBondContact O-N 2.76Å; D181-T184 VanDerWaalsContact O-N 3.17Å; D181-R185 PolarHBondContact O-N 2.93Å; D181-R185 IonicContact OD1-NE 2.78Å; D181-R185 IonicContact OD2-CZ 2.59Å; D181-R185 VanDerWaalsContact OD2-CZ 3.25Å; D181-R185 IonicContact OD2-NE 3.34Å; D181-R185 PolarHBondContact OD2-NE 3.4Å; D181-R185 IonicContact OD2-NH2 3.98Å; D181-R185 PolarHBondContact OD2-NH2 3.28Å |
| 182 | D | 94.8 | Very high | 95.2 | Very high | 39 Ų | 39 | 43.4 Ų | 43.4 | 21% | 0.209 | 20% | 0.204 | C | C | . | . | H | α-helix | trans | -53.9 | -50.1 | 173 | -75.1 | -24.4 | 0 | 0 | 0 | 110.9 | E178 K179 T184 R185 T186 | E178-D182 VanDerWaalsContact O-CG 3.29Å; E178-D182 PolarHBondContact O-N 2.81Å; K179-D182 IonicContact NZ-OD2 3.72Å; K179-D182 PolarHBondContact NZ-OD2 3.15Å; D182-T184 PolarHBondContact O-N 2.82Å; D182-R185 PolarHBondContact O-N 2.79Å; D182-R185 IonicContact OD1-CZ 2.73Å; D182-R185 IonicContact OD1-NH2 3.41Å; D182-R185 PolarHBondContact OD1-NH2 2.86Å; D182-T186 WeakPolarHBondContact O-CB 3.39Å; D182-T186 PolarHBondContact O-N 2.95Å; D182-T186 PolarHBondContact O-OG1 2.92Å |
| 183 | R | 95.3 | Very high | 95.2 | Very high | 9 Ų | 9 | 47.6 Ų | 47.6 | 3% | 0.034 | 22% | 0.222 | C | C | . | . | H | α-helix | trans | -55.9 | -50.3 | 175.5 | 177.3 | -178.5 | 74 | -160.4 | 3.2 | 111.5 | K179 C180 D181 R185 T186 F187 G205 S206 E207 W225 | K179-R183 PolarHBondContact O-N 3.42Å; K179-R183 VanDerWaalsContact O-N 3.14Å; C180-R183 PolarHBondContact O-N 3.14Å; D181-R183 VanDerWaalsContact C-N 3.34Å; D181-R183 PolarHBondContact O-N 3.41Å; R183-R185 PolarHBondContact O-N 3.34Å; R183-T186 PolarHBondContact O-N 3.47Å; R183-F187 HydrophobicContact CG-CD1 4.46Å; R183-F187 HydrophobicContact CG-CD2 4.21Å; R183-F187 HydrophobicContact CG-CE1 4.29Å; R183-F187 HydrophobicContact CG-CE2 4.02Å; R183-F187 HydrophobicContact CG-CG 4.43Å; R183-F187 HydrophobicContact CG-CZ 4.08Å; R183-F187 WeakPolarHBondContact O-CB 3.4Å; R183-F187 PolarHBondContact O-N 3.26Å; R183-G205 PolarHBondContact NH2-O 2.87Å; R183-S206 PolarHBondContact NE-O 2.81Å; R183-S206 VanDerWaalsContact NE-O 3.15Å; R183-E207 IonicContact NH1-OE1 2.75Å; R183-E207 PolarHBondContact NH1-OE1 3.06Å; R183-W225 HydrophobicContact CB-CD2 3.91Å; R183-W225 HydrophobicContact CB-CE3 4.14Å; R183-W225 HydrophobicContact CB-CG 4.35Å; R183-W225 HydrophobicContact CB-CH2 4.26Å; R183-W225 HydrophobicContact CB-CZ2 4.11Å; R183-W225 HydrophobicContact CB-CZ3 4.3Å; R183-W225 WeakPolarHBondContact CD-O 3.46Å; R183-W225 HydrophobicContact CG-CB 4.2Å; R183-W225 HydrophobicContact CG-CD2 3.8Å; R183-W225 HydrophobicContact CG-CE3 3.92Å; R183-W225 HydrophobicContact CG-CG 3.94Å; R183-W225 HydrophobicContact CG-CZ3 4.46Å; R183-W225 PolarHBondContact NH1-O 2.97Å |
| 184 | T | 95 | Very high | 95.3 | Very high | 34 Ų | 34 | 49.4 Ų | 49.4 | 21% | 0.209 | 23% | 0.23 | C | C | . | . | H | α-helix | trans | -58.8 | -48.1 | -177 | -57.9 | 0 | 0 | 0 | 0 | 111.2 | C180 D181 D182 F187 Q188 C204 | C180-T184 WeakPolarHBondContact O-CB 3.46Å; C180-T184 PolarHBondContact O-N 2.84Å; C180-T184 PolarHBondContact O-OG1 2.86Å; D181-T184 PolarHBondContact O-N 2.76Å; D181-T184 VanDerWaalsContact O-N 3.17Å; D182-T184 PolarHBondContact O-N 2.82Å; T184-F187 PolarHBondContact O-N 2.97Å; T184-Q188 WeakPolarHBondContact O-CB 3.31Å; T184-Q188 PolarHBondContact O-N 3.23Å; T184-C204 WeakPolarHBondContact CA-O 3.49Å; T184-C204 HydrophobicContact CG2-CB 4.03Å |
| 185 | R | 96.3 | Very high | 95.3 | Very high | 129 Ų | 129 | 49.8 Ų | 49.8 | 49% | 0.487 | 24% | 0.244 | S | C | . | . | H | α-helix | trans | -63.8 | -42.9 | 177.1 | -74.5 | -169.2 | -77.2 | 123.3 | 3.9 | 112.1 | D181 D182 R183 Q188 H189 | D181-R185 PolarHBondContact O-N 2.93Å; D181-R185 IonicContact OD1-NE 2.78Å; D181-R185 IonicContact OD2-CZ 2.59Å; D181-R185 VanDerWaalsContact OD2-CZ 3.25Å; D181-R185 IonicContact OD2-NE 3.34Å; D181-R185 PolarHBondContact OD2-NE 3.4Å; D181-R185 IonicContact OD2-NH2 3.98Å; D181-R185 PolarHBondContact OD2-NH2 3.28Å; D182-R185 PolarHBondContact O-N 2.79Å; D182-R185 IonicContact OD1-CZ 2.73Å; D182-R185 IonicContact OD1-NH2 3.41Å; D182-R185 PolarHBondContact OD1-NH2 2.86Å; R183-R185 PolarHBondContact O-N 3.34Å; R185-Q188 PolarHBondContact O-N 2.92Å; R185-H189 WeakPolarHBondContact O-CB 3.35Å; R185-H189 PolarHBondContact O-N 2.87Å |
| 186 | T | 97 | Very high | 95.2 | Very high | 7 Ų | 7 | 51.9 Ų | 51.9 | 4% | 0.043 | 26% | 0.259 | C | S | . | . | H | α-helix | trans | -64.2 | -43.7 | 178.2 | -62.2 | 0 | 0 | 0 | 0 | 111.9 | D182 R183 H189 F190 W225 E276 I279 | D182-T186 WeakPolarHBondContact O-CB 3.39Å; D182-T186 PolarHBondContact O-N 2.95Å; D182-T186 PolarHBondContact O-OG1 2.92Å; R183-T186 PolarHBondContact O-N 3.47Å; T186-H189 PolarHBondContact O-N 3.28Å; T186-F190 HydrophobicContact CG2-CD2 3.75Å; T186-F190 HydrophobicContact CG2-CE2 3.49Å; T186-F190 VanDerWaalsContact CG2-CE2 3.49Å; T186-F190 VanDerWaalsContact O-CD2 3.23Å; T186-F190 WeakPolarHBondContact O-CD2 3.39Å; T186-F190 PolarHBondContact O-N 2.91Å; T186-F190 VanDerWaalsContact O-N 3.13Å; T186-W225 HydrophobicContact CG2-CZ3 3.94Å; T186-E276 HydrophobicContact CG2-CG 4.14Å; T186-I279 HydrophobicContact CG2-CD1 4.18Å |
| 187 | F | 97.2 | Very high | 95.2 | Very high | 0 Ų | 0 | 52 Ų | 52 | 0% | 0 | 26% | 0.26 | C | S | . | . | H | α-helix | trans | -64.1 | -46 | 177.8 | -79.7 | 8.9 | 0 | 0 | 0 | 111.7 | R183 T184 H189 F190 Q191 L200 S206 M209 I223 W225 | R183-F187 HydrophobicContact CG-CD1 4.46Å; R183-F187 HydrophobicContact CG-CD2 4.21Å; R183-F187 HydrophobicContact CG-CE1 4.29Å; R183-F187 HydrophobicContact CG-CE2 4.02Å; R183-F187 HydrophobicContact CG-CG 4.43Å; R183-F187 HydrophobicContact CG-CZ 4.08Å; R183-F187 WeakPolarHBondContact O-CB 3.4Å; R183-F187 PolarHBondContact O-N 3.26Å; T184-F187 PolarHBondContact O-N 2.97Å; F187-H189 VanDerWaalsContact C-N 3.34Å; F187-H189 PolarHBondContact O-N 3.43Å; F187-F190 PolarHBondContact O-N 3.34Å; F187-Q191 PolarHBondContact O-N 2.83Å; F187-L200 HydrophobicContact CB-CD1 3.99Å; F187-L200 HydrophobicContact CB-CD2 4.02Å; F187-L200 HydrophobicContact CD2-CD2 3.99Å; F187-L200 HydrophobicContact CG-CD2 4.18Å; F187-S206 WeakPolarHBondContact CE2-O 3.39Å; F187-M209 HydrophobicContact CD1-CB 4.02Å; F187-M209 HydrophobicContact CD1-CE 4.35Å; F187-M209 HydrophobicContact CD1-SD 3.98Å; F187-M209 HydrophobicContact CD2-CB 4.03Å; F187-M209 HydrophobicContact CE1-CB 3.79Å; F187-M209 HydrophobicContact CE1-CE 4.27Å; F187-M209 HydrophobicContact CE1-SD 4.37Å; F187-M209 HydrophobicContact CE2-CB 3.8Å; F187-M209 HydrophobicContact CG-CB 4.14Å; F187-M209 HydrophobicContact CG-SD 4.4Å; F187-M209 HydrophobicContact CZ-CB 3.67Å; F187-I223 HydrophobicContact CE1-CG2 4.25Å; F187-I223 HydrophobicContact CZ-CG2 4.44Å; F187-W225 HydrophobicContact CD1-CE3 4.5Å; F187-W225 HydrophobicContact CE1-CB 4.46Å; F187-W225 AromaticContact CE1-CE3 3.87Å; F187-W225 HydrophobicContact CE1-CE3 3.87Å; F187-W225 HydrophobicContact CZ-CB 4Å; F187-W225 HydrophobicContact CZ-CE3 4.47Å |
| 188 | Q | 96.9 | Very high | 95.3 | Very high | 82 Ų | 82 | 52 Ų | 52 | 38% | 0.383 | 26% | 0.26 | S | S | . | . | H | α-helix | trans | -58.7 | -46.2 | 175.3 | -177.7 | 176.2 | -2 | 0 | 0 | 111.4 | T184 R185 F190 Q191 E192 C204 | T184-Q188 WeakPolarHBondContact O-CB 3.31Å; T184-Q188 PolarHBondContact O-N 3.23Å; R185-Q188 PolarHBondContact O-N 2.92Å; Q188-F190 VanDerWaalsContact C-N 3.32Å; Q188-F190 PolarHBondContact O-N 3.46Å; Q188-Q191 PolarHBondContact O-N 3.23Å; Q188-E192 HydrophobicContact CG-CG 4.46Å; Q188-E192 WeakPolarHBondContact CG-OE1 3.08Å; Q188-E192 PolarHBondContact NE2-OE1 3.42Å; Q188-E192 WeakPolarHBondContact O-CG 3.46Å; Q188-E192 PolarHBondContact O-N 2.93Å; Q188-C204 HydrophobicContact CB-CB 4.2Å |
| 189 | H | 97.4 | Very high | 95.4 | Very high | 79 Ų | 79 | 50.9 Ų | 50.9 | 37% | 0.366 | 26% | 0.259 | S | S | . | . | H | α-helix | trans | -54.5 | -47.2 | 177.8 | 175.4 | 68.9 | 0 | 0 | 0 | 112.2 | R185 T186 F187 E192 K193 | R185-H189 WeakPolarHBondContact O-CB 3.35Å; R185-H189 PolarHBondContact O-N 2.87Å; T186-H189 PolarHBondContact O-N 3.28Å; F187-H189 VanDerWaalsContact C-N 3.34Å; F187-H189 PolarHBondContact O-N 3.43Å; H189-E192 PolarHBondContact O-N 3.01Å; H189-K193 VanDerWaalsContact O-CB 3.24Å; H189-K193 WeakPolarHBondContact O-CB 3.47Å; H189-K193 PolarHBondContact O-N 3.33Å |
| 190 | F | 97.4 | Very high | 95.4 | Very high | 1 Ų | 1 | 48.9 Ų | 48.9 | 0% | 0.004 | 25% | 0.251 | C | S | . | . | H | α-helix | trans | -73.2 | -32.3 | -179.3 | -73.5 | -54.1 | 0 | 0 | 0 | 113.5 | T186 F187 Q188 E192 K193 F194 V198 M209 E276 I279 E280 I283 | T186-F190 HydrophobicContact CG2-CD2 3.75Å; T186-F190 HydrophobicContact CG2-CE2 3.49Å; T186-F190 VanDerWaalsContact CG2-CE2 3.49Å; T186-F190 VanDerWaalsContact O-CD2 3.23Å; T186-F190 WeakPolarHBondContact O-CD2 3.39Å; T186-F190 PolarHBondContact O-N 2.91Å; T186-F190 VanDerWaalsContact O-N 3.13Å; F187-F190 PolarHBondContact O-N 3.34Å; Q188-F190 VanDerWaalsContact C-N 3.32Å; Q188-F190 PolarHBondContact O-N 3.46Å; F190-E192 VanDerWaalsContact C-N 3.34Å; F190-K193 PolarHBondContact O-N 2.95Å; F190-F194 AromaticContact CD1-CD2 3.93Å; F190-F194 HydrophobicContact CD1-CD2 3.93Å; F190-F194 AromaticContact CD1-CE2 3.88Å; F190-F194 HydrophobicContact CD1-CE2 3.88Å; F190-F194 HydrophobicContact CE1-CE2 4.24Å; F190-F194 PolarHBondContact O-N 3.1Å; F190-V198 HydrophobicContact CB-CG1 4.38Å; F190-V198 HydrophobicContact CB-CG2 4.21Å; F190-M209 HydrophobicContact CB-SD 4.11Å; F190-E276 HydrophobicContact CZ-CB 4.37Å; F190-E276 VanDerWaalsContact CZ-O 3.31Å; F190-E276 WeakPolarHBondContact CZ-O 3.38Å; F190-I279 HydrophobicContact CD2-CB 4.39Å; F190-I279 HydrophobicContact CD2-CG2 3.59Å; F190-I279 HydrophobicContact CE2-CB 3.73Å; F190-I279 HydrophobicContact CE2-CD1 4.4Å; F190-I279 HydrophobicContact CE2-CG2 3.42Å; F190-I279 VanDerWaalsContact CE2-CG2 3.42Å; F190-I279 HydrophobicContact CG-CG2 4.3Å; F190-I279 HydrophobicContact CZ-CB 4.17Å; F190-I279 HydrophobicContact CZ-CG2 4.03Å; F190-E280 HydrophobicContact CE1-CB 3.79Å; F190-E280 HydrophobicContact CE1-CG 4.32Å; F190-E280 HydrophobicContact CZ-CB 3.99Å; F190-I283 HydrophobicContact CB-CD1 3.86Å; F190-I283 HydrophobicContact CD1-CD1 3.48Å; F190-I283 VanDerWaalsContact CD1-CD1 3.48Å; F190-I283 HydrophobicContact CD2-CD1 4.25Å; F190-I283 HydrophobicContact CE1-CD1 4.07Å; F190-I283 HydrophobicContact CG-CD1 3.6Å |
| 191 | Q | 96.4 | Very high | 95.1 | Very high | 74 Ų | 74 | 52.7 Ų | 52.7 | 35% | 0.346 | 28% | 0.276 | S | S | . | . | H | α-helix | trans | -62.7 | -42.4 | 172.1 | -173.5 | 179.9 | 38.2 | 0 | 0 | 111.5 | F187 Q188 P195 V198 L200 | F187-Q191 PolarHBondContact O-N 2.83Å; Q188-Q191 PolarHBondContact O-N 3.23Å; Q191-P195 VanDerWaalsContact O-CA 3.3Å; Q191-P195 WeakPolarHBondContact O-CA 3.47Å; Q191-P195 WeakPolarHBondContact O-CB 3.49Å; Q191-V198 HydrophobicContact CB-CG1 4.09Å; Q191-L200 HydrophobicContact CB-CD1 3.88Å; Q191-L200 HydrophobicContact CB-CG 4.3Å; Q191-L200 HydrophobicContact CG-CD1 4.31Å; Q191-L200 HydrophobicContact CG-CG 4.46Å |
| 192 | E | 96.8 | Very high | 94.8 | Very high | 130 Ų | 130 | 58.1 Ų | 58.1 | 61% | 0.607 | 30% | 0.3 | S | S | * | . | H | α-helix | trans | -70 | -39.1 | 177.6 | -70 | 173.8 | -173.5 | 0 | 0 | 112.2 | Q188 H189 F190 | Q188-E192 HydrophobicContact CG-CG 4.46Å; Q188-E192 WeakPolarHBondContact CG-OE1 3.08Å; Q188-E192 PolarHBondContact NE2-OE1 3.42Å; Q188-E192 WeakPolarHBondContact O-CG 3.46Å; Q188-E192 PolarHBondContact O-N 2.93Å; H189-E192 PolarHBondContact O-N 3.01Å; F190-E192 VanDerWaalsContact C-N 3.34Å |
| 193 | K | 96.4 | Very high | 94.6 | Very high | 92 Ų | 92 | 57.7 Ų | 57.7 | 40% | 0.4 | 31% | 0.305 | S | S | . | . | H | α-helix | trans | -77.4 | -33.9 | -177.4 | -171.3 | 175.6 | 174.8 | -175.9 | 0 | 113.4 | H189 F190 E280 | H189-K193 VanDerWaalsContact O-CB 3.24Å; H189-K193 WeakPolarHBondContact O-CB 3.47Å; H189-K193 PolarHBondContact O-N 3.33Å; F190-K193 PolarHBondContact O-N 2.95Å; K193-E280 IonicContact NZ-OE1 2.97Å; K193-E280 PolarHBondContact NZ-OE1 2.94Å; K193-E280 IonicContact NZ-OE2 3.1Å; K193-E280 PolarHBondContact NZ-OE2 2.73Å |
| 194 | F | 95.4 | Very high | 94.1 | Very high | 39 Ų | 39 | 59.2 Ų | 59.2 | 17% | 0.171 | 32% | 0.317 | C | S | . | . | trans | -133.1 | 58.7 | -176 | -55.6 | -77.8 | 0 | 0 | 0 | 112.6 | F190 S196 I197 V198 E280 I283 | F190-F194 AromaticContact CD1-CD2 3.93Å; F190-F194 HydrophobicContact CD1-CD2 3.93Å; F190-F194 AromaticContact CD1-CE2 3.88Å; F190-F194 HydrophobicContact CD1-CE2 3.88Å; F190-F194 HydrophobicContact CE1-CE2 4.24Å; F190-F194 PolarHBondContact O-N 3.1Å; F194-S196 PolarHBondContact O-N 3.34Å; F194-S196 VanDerWaalsContact O-N 3.13Å; F194-I197 HydrophobicContact CB-CB 4.42Å; F194-I197 PolarHBondContact O-N 3.15Å; F194-V198 HydrophobicContact CB-CG2 3.94Å; F194-V198 WeakPolarHBondContact O-CB 3.32Å; F194-V198 PolarHBondContact O-N 3.28Å; F194-E280 HydrophobicContact CE2-CG 4.34Å; F194-E280 HydrophobicContact CZ-CG 4.32Å; F194-I283 HydrophobicContact CB-CG2 3.97Å; F194-I283 HydrophobicContact CD1-CG2 3.93Å; F194-I283 HydrophobicContact CD2-CD1 4.04Å; F194-I283 HydrophobicContact CD2-CG2 3.66Å; F194-I283 HydrophobicContact CE1-CG2 4.28Å; F194-I283 HydrophobicContact CE2-CD1 4.39Å; F194-I283 HydrophobicContact CE2-CG2 4.01Å; F194-I283 HydrophobicContact CG-CG2 3.6Å; F194-I283 HydrophobicContact CZ-CG2 4.3Å | ||
| 195 | P | 94.5 | Very high | 93.6 | Very high | 97 Ų | 97 | 59.6 Ų | 59.6 | 63% | 0.63 | 33% | 0.327 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -65.8 | -20.5 | -170.7 | 26.5 | -36.3 | 0 | 0 | 0 | 114.6 | Q191 | Q191-P195 VanDerWaalsContact O-CA 3.3Å; Q191-P195 WeakPolarHBondContact O-CA 3.47Å; Q191-P195 WeakPolarHBondContact O-CB 3.49Å |
| 196 | S | 92.7 | Very high | 93.3 | Very high | 85 Ų | 85 | 54.1 Ų | 54.1 | 59% | 0.594 | 31% | 0.308 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -78.4 | -21 | 175.8 | 52.1 | 0 | 0 | 0 | 0 | 113.4 | F194 | F194-S196 PolarHBondContact O-N 3.34Å; F194-S196 VanDerWaalsContact O-N 3.13Å |
| 197 | I | 94 | Very high | 93.1 | Very high | 10 Ų | 10 | 55.5 Ų | 55.5 | 5% | 0.051 | 31% | 0.314 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -108.6 | -41.7 | -174.5 | -49.8 | -58.7 | 0 | 0 | 0 | 110.8 | F194 L211 N212 P214 I283 V286 S287 | F194-I197 HydrophobicContact CB-CB 4.42Å; F194-I197 PolarHBondContact O-N 3.15Å; I197-L211 HydrophobicContact CG2-CB 4.46Å; I197-L211 CarbonylContact O-C 3.57Å; I197-L211 WeakPolarHBondContact O-CA 3.43Å; I197-N212 WeakPolarHBondContact CA-O 3.38Å; I197-N212 PolarHBondContact O-N 3.36Å; I197-P214 VanDerWaalsContact CD1-CD 3.5Å; I197-P214 HydrophobicContact CD1-CG 3.89Å; I197-I283 HydrophobicContact CG2-CG2 4.3Å; I197-V286 HydrophobicContact CG2-CB 4.37Å; I197-V286 HydrophobicContact CG2-CG1 3.83Å; I197-S287 WeakPolarHBondContact CG1-OG 3.47Å |
| 198 | V | 95.9 | Very high | 93 | Very high | 4 Ų | 4 | 57.3 Ų | 57.3 | 2% | 0.024 | 33% | 0.326 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.5 | 129.9 | -171.9 | 177.7 | 0 | 0 | 0 | 0 | 110.3 | F190 Q191 F194 M209 T210 L211 I283 | F190-V198 HydrophobicContact CB-CG1 4.38Å; F190-V198 HydrophobicContact CB-CG2 4.21Å; Q191-V198 HydrophobicContact CB-CG1 4.09Å; F194-V198 HydrophobicContact CB-CG2 3.94Å; F194-V198 WeakPolarHBondContact O-CB 3.32Å; F194-V198 PolarHBondContact O-N 3.28Å; V198-M209 HydrophobicContact CG1-CG 3.73Å; V198-M209 HydrophobicContact CG1-SD 3.53Å; V198-M209 VanDerWaalsContact CG1-SD 3.53Å; V198-T210 WeakPolarHBondContact CA-O 3.32Å; V198-L211 HydrophobicContact CB-CD2 4.47Å; V198-L211 HydrophobicContact CG2-CD2 3.7Å; V198-I283 HydrophobicContact CG2-CD1 3.83Å; V198-I283 HydrophobicContact CG2-CG1 4.23Å |
| 199 | S | 94.4 | Very high | 93 | Very high | 43 Ų | 43 | 53.4 Ų | 53.4 | 30% | 0.301 | 31% | 0.307 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.1 | 141.1 | 174.3 | 55 | 0 | 0 | 0 | 0 | 111.4 | P201 T210 | S199-P201 WeakPolarHBondContact O-CD 3.49Å; S199-T210 PolarHBondContact N-O 2.78Å; S199-T210 PolarHBondContact O-N 3.23Å; S199-T210 WeakPolarHBondContact OG-CB 3.49Å; S199-T210 PolarHBondContact OG-O 3.12Å |
| 200 | L | 94.8 | Very high | 92.9 | Very high | 14 Ų | 14 | 50.3 Ų | 50.3 | 7% | 0.073 | 29% | 0.294 | C | S | . | . | trans | -121.3 | 78.5 | -179 | -57.8 | 179.3 | 0 | 0 | 0 | 108.7 | F187 Q191 E202 G203 C204 M209 | F187-L200 HydrophobicContact CB-CD1 3.99Å; F187-L200 HydrophobicContact CB-CD2 4.02Å; F187-L200 HydrophobicContact CD2-CD2 3.99Å; F187-L200 HydrophobicContact CG-CD2 4.18Å; Q191-L200 HydrophobicContact CB-CD1 3.88Å; Q191-L200 HydrophobicContact CB-CG 4.3Å; Q191-L200 HydrophobicContact CG-CD1 4.31Å; Q191-L200 HydrophobicContact CG-CG 4.46Å; L200-E202 PolarHBondContact O-N 3.22Å; L200-G203 PolarHBondContact O-N 3.23Å; L200-C204 HydrophobicContact CD1-CB 3.86Å; L200-M209 HydrophobicContact CD2-CB 3.67Å; L200-M209 HydrophobicContact CD2-CG 3.61Å; L200-M209 HydrophobicContact CD2-SD 4.38Å | ||
| 201 | P | 85.7 | Confident | 92.7 | Very high | 102 Ų | 102 | 50.2 Ų | 50.2 | 66% | 0.662 | 29% | 0.294 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -61.9 | -30.5 | -172 | 23.7 | -33.3 | 0 | 0 | 0 | 113.3 | S199 | S199-P201 WeakPolarHBondContact O-CD 3.49Š|
| 202 | E | 87.4 | Confident | 92.5 | Very high | 150 Ų | 150 | 48.9 Ų | 48.9 | 70% | 0.701 | 29% | 0.289 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -100.4 | 8.9 | 177.1 | -67.5 | 175.4 | -179.6 | 0 | 0 | 112.6 | L200 S206 | L200-E202 PolarHBondContact O-N 3.22Å; E202-S206 PolarHBondContact OE2-OG 3.34Å |
| 203 | G | 89.6 | Confident | 92.1 | Very high | 31 Ų | 31 | 43.9 Ų | 43.9 | 32% | 0.32 | 27% | 0.265 | S | S | . | . | trans | 85.1 | 173.6 | -175.8 | 0 | 0 | 0 | 0 | 0 | 114.1 | L200 G205 S206 | L200-G203 PolarHBondContact O-N 3.23Å; G203-G205 VanDerWaalsContact C-N 3.26Å; G203-G205 PolarHBondContact O-N 3.04Å; G203-S206 WeakPolarHBondContact O-CB 3.33Å; G203-S206 PolarHBondContact O-N 2.81Å | ||
| 204 | C | 85 | Confident | 91.6 | Very high | 41 Ų | 41 | 43.4 Ų | 43.4 | 28% | 0.277 | 27% | 0.272 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -69.3 | -19.9 | -176 | 55.6 | 0 | 0 | 0 | 0 | 114.6 | T184 Q188 L200 S206 | T184-C204 WeakPolarHBondContact CA-O 3.49Å; T184-C204 HydrophobicContact CG2-CB 4.03Å; Q188-C204 HydrophobicContact CB-CB 4.2Å; L200-C204 HydrophobicContact CD1-CB 3.86Å; C204-S206 VanDerWaalsContact C-N 3.27Å; C204-S206 PolarHBondContact O-N 3.47Å |
| 205 | G | 85.1 | Confident | 91.1 | Very high | 42 Ų | 42 | 48.8 Ų | 48.8 | 43% | 0.433 | 30% | 0.298 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -74.7 | -13.1 | 173.7 | 0 | 0 | 0 | 0 | 0 | 114.3 | R183 G203 | R183-G205 PolarHBondContact NH2-O 2.87Å; G203-G205 VanDerWaalsContact C-N 3.26Å; G203-G205 PolarHBondContact O-N 3.04Å |
| 206 | S | 89.4 | Confident | 90.5 | Very high | 13 Ų | 13 | 49 Ų | 49 | 9% | 0.091 | 29% | 0.293 | C | S | . | . | S | Bend | trans | -66.6 | 160.4 | -178.3 | 178.5 | 0 | 0 | 0 | 0 | 112.6 | R183 F187 E202 G203 C204 V208 | R183-S206 PolarHBondContact NE-O 2.81Å; R183-S206 VanDerWaalsContact NE-O 3.15Å; F187-S206 WeakPolarHBondContact CE2-O 3.39Å; E202-S206 PolarHBondContact OE2-OG 3.34Å; G203-S206 WeakPolarHBondContact O-CB 3.33Å; G203-S206 PolarHBondContact O-N 2.81Å; C204-S206 VanDerWaalsContact C-N 3.27Å; C204-S206 PolarHBondContact O-N 3.47Å; S206-V208 VanDerWaalsContact C-N 3.26Å; S206-V208 PolarHBondContact OG-N 3.39Å; S206-V208 VanDerWaalsContact OG-N 3.13Å |
| 207 | E | 92.7 | Very high | 89.7 | Confident | 36 Ų | 36 | 50.1 Ų | 50.1 | 17% | 0.168 | 30% | 0.298 | C | S | . | . | S | Bend | trans | -78.1 | -11.1 | 171.3 | -47.6 | -152.4 | 117.2 | 0 | 0 | 112.8 | R183 Y224 W225 C226 | R183-E207 IonicContact NH1-OE1 2.75Å; R183-E207 PolarHBondContact NH1-OE1 3.06Å; E207-Y224 HydrophobicContact CB-CD2 4.02Å; E207-Y224 HydrophobicContact CB-CE2 3.6Å; E207-Y224 HydrophobicContact CG-CE2 4.44Å; E207-Y224 CarbonylContact O-C 3.54Å; E207-Y224 WeakPolarHBondContact O-CA 3.42Å; E207-Y224 WeakPolarHBondContact OE2-CE2 3.36Å; E207-Y224 VanDerWaalsContact OE2-CZ 3.25Å; E207-Y224 PolarHBondContact OE2-OH 3.45Å; E207-W225 PolarHBondContact O-N 2.8Å; E207-C226 WeakPolarHBondContact OE1-CA 3.4Å; E207-C226 VanDerWaalsContact OE1-CB 3.27Å; E207-C226 WeakPolarHBondContact OE1-CB 3.48Å |
| 208 | V | 94.7 | Very high | 89 | Confident | 39 Ų | 39 | 51.6 Ų | 51.6 | 24% | 0.236 | 32% | 0.316 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.2 | 125.8 | -172.8 | -178.2 | 0 | 0 | 0 | 0 | 111.9 | S206 F222 I223 Y224 | S206-V208 VanDerWaalsContact C-N 3.26Å; S206-V208 PolarHBondContact OG-N 3.39Å; S206-V208 VanDerWaalsContact OG-N 3.13Å; V208-F222 HydrophobicContact CG1-CB 4.35Å; V208-F222 HydrophobicContact CG1-CD1 4.03Å; V208-I223 WeakPolarHBondContact CA-O 3.48Å; V208-Y224 HydrophobicContact CG2-CD2 3.85Å; V208-Y224 HydrophobicContact CG2-CE2 4.47Å |
| 209 | M | 96.7 | Very high | 88.3 | Confident | 0 Ų | 0 | 53.2 Ų | 53.2 | 0% | 0 | 33% | 0.327 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.8 | 132 | 164.1 | 176 | 177.8 | 70 | 0 | 0 | 109.7 | F187 F190 V198 L200 L211 F222 I223 I279 | F187-M209 HydrophobicContact CD1-CB 4.02Å; F187-M209 HydrophobicContact CD1-CE 4.35Å; F187-M209 HydrophobicContact CD1-SD 3.98Å; F187-M209 HydrophobicContact CD2-CB 4.03Å; F187-M209 HydrophobicContact CE1-CB 3.79Å; F187-M209 HydrophobicContact CE1-CE 4.27Å; F187-M209 HydrophobicContact CE1-SD 4.37Å; F187-M209 HydrophobicContact CE2-CB 3.8Å; F187-M209 HydrophobicContact CG-CB 4.14Å; F187-M209 HydrophobicContact CG-SD 4.4Å; F187-M209 HydrophobicContact CZ-CB 3.67Å; F190-M209 HydrophobicContact CB-SD 4.11Å; V198-M209 HydrophobicContact CG1-CG 3.73Å; V198-M209 HydrophobicContact CG1-SD 3.53Å; V198-M209 VanDerWaalsContact CG1-SD 3.53Å; L200-M209 HydrophobicContact CD2-CB 3.67Å; L200-M209 HydrophobicContact CD2-CG 3.61Å; L200-M209 HydrophobicContact CD2-SD 4.38Å; M209-L211 HydrophobicContact CE-CD2 4.01Å; M209-L211 HydrophobicContact CG-CD2 4.27Å; M209-L211 HydrophobicContact SD-CD2 4.4Å; M209-F222 CarbonylContact O-C 3.58Å; M209-F222 WeakPolarHBondContact O-CA 3.37Å; M209-I223 HydrophobicContact CB-CB 4.34Å; M209-I223 HydrophobicContact CE-CB 3.98Å; M209-I223 HydrophobicContact CE-CG1 3.7Å; M209-I223 HydrophobicContact CE-CG2 4.46Å; M209-I223 PolarHBondContact N-O 3.43Å; M209-I223 PolarHBondContact O-N 2.94Å; M209-I279 HydrophobicContact CE-CG2 3.5Å; M209-I279 VanDerWaalsContact CE-CG2 3.5Å |
| 210 | T | 95.6 | Very high | 88 | Confident | 13 Ų | 13 | 52 Ų | 52 | 8% | 0.08 | 32% | 0.319 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.2 | 136 | -179.3 | -52.7 | 0 | 0 | 0 | 0 | 110.7 | V198 S199 N212 F222 | V198-T210 WeakPolarHBondContact CA-O 3.32Å; S199-T210 PolarHBondContact N-O 2.78Å; S199-T210 PolarHBondContact O-N 3.23Å; S199-T210 WeakPolarHBondContact OG-CB 3.49Å; S199-T210 PolarHBondContact OG-O 3.12Å; T210-N212 WeakPolarHBondContact CG2-ND2 3.23Å; T210-F222 HydrophobicContact CG2-CD1 3.93Å; T210-F222 HydrophobicContact CG2-CE1 3.65Å; T210-F222 HydrophobicContact CG2-CZ 4.39Å; T210-F222 WeakPolarHBondContact OG1-CD1 3.45Å |
| 211 | L | 94.7 | Very high | 87.9 | Confident | 0 Ų | 0 | 53.5 Ų | 53.5 | 0% | 0 | 32% | 0.324 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.6 | 119.6 | 177.3 | -47.7 | 179.5 | 0 | 0 | 0 | 109.2 | I197 V198 M209 F221 I223 I282 I283 | I197-L211 HydrophobicContact CG2-CB 4.46Å; I197-L211 CarbonylContact O-C 3.57Å; I197-L211 WeakPolarHBondContact O-CA 3.43Å; V198-L211 HydrophobicContact CB-CD2 4.47Å; V198-L211 HydrophobicContact CG2-CD2 3.7Å; M209-L211 HydrophobicContact CE-CD2 4.01Å; M209-L211 HydrophobicContact CG-CD2 4.27Å; M209-L211 HydrophobicContact SD-CD2 4.4Å; L211-F221 HydrophobicContact CB-CB 4.17Å; L211-F221 HydrophobicContact CD1-CB 4.44Å; L211-F221 PolarHBondContact N-O 3.03Å; L211-F221 PolarHBondContact O-N 2.83Å; L211-I223 HydrophobicContact CD1-CG1 4.14Å; L211-I282 HydrophobicContact CD1-CB 4.47Å; L211-I282 HydrophobicContact CD1-CG2 3.7Å; L211-I283 HydrophobicContact CD1-CG1 4.11Å; L211-I283 HydrophobicContact CD2-CD1 4.41Å; L211-I283 HydrophobicContact CD2-CG1 3.85Å |
| 212 | N | 91.6 | Very high | 88.3 | Confident | 46 Ų | 46 | 51.3 Ų | 51.3 | 25% | 0.246 | 30% | 0.304 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.6 | 134.1 | -178.2 | -61 | -51.1 | 0 | 0 | 0 | 110.2 | I197 T210 C220 | I197-N212 WeakPolarHBondContact CA-O 3.38Å; I197-N212 PolarHBondContact O-N 3.36Å; T210-N212 WeakPolarHBondContact CG2-ND2 3.23Å; N212-C220 VanDerWaalsContact OD1-CB 3.31Å; N212-C220 WeakPolarHBondContact OD1-CB 3.3Å; N212-C220 PolarHBondContact OD1-SG 2.8Å |
| 213 | H | 88.9 | Confident | 88.8 | Confident | 24 Ų | 24 | 44.1 Ų | 44.1 | 11% | 0.111 | 27% | 0.271 | C | S | . | . | trans | -78.8 | 132.7 | 168.4 | -172 | -99.3 | 0 | 0 | 0 | 109.5 | E215 L216 V286 | H213-E215 IonicContact CE1-OE2 2.72Å; H213-E215 PolarHBondContact ND1-N 3.2Å; H213-E215 PolarHBondContact O-N 3.12Å; H213-E215 VanDerWaalsContact O-N 3.14Å; H213-L216 HydrophobicContact CB-CB 4.09Å; H213-L216 CarbonylContact O-C 3.51Å; H213-L216 PolarHBondContact O-N 3.35Å; H213-L216 VanDerWaalsContact O-N 3.11Å; H213-V286 HydrophobicContact CB-CG1 4.21Å; H213-V286 PolarHBondContact CD2-O 2.94Å | ||
| 214 | P | 84.8 | Confident | 89 | Confident | 83 Ų | 83 | 46 Ų | 46 | 54% | 0.539 | 27% | 0.269 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -60.8 | -29.8 | -174.6 | -23.9 | 34.9 | 0 | 0 | 0 | 113.1 | I197 | I197-P214 VanDerWaalsContact CD1-CD 3.5Å; I197-P214 HydrophobicContact CD1-CG 3.89Å |
| 215 | E | 85.4 | Confident | 89.5 | Confident | 152 Ų | 152 | 44.6 Ų | 44.6 | 71% | 0.71 | 26% | 0.258 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -96.7 | -10 | -177.7 | -48.4 | -178.3 | 160.9 | 0 | 0 | 113.1 | H213 P217 | H213-E215 IonicContact CE1-OE2 2.72Å; H213-E215 PolarHBondContact ND1-N 3.2Å; H213-E215 PolarHBondContact O-N 3.12Å; H213-E215 VanDerWaalsContact O-N 3.14Å; E215-P217 VanDerWaalsContact C-CD 3.41Å; E215-P217 WeakPolarHBondContact O-CD 3.45Å |
| 216 | L | 81.9 | Confident | 89.8 | Confident | 101 Ų | 101 | 43 Ų | 43 | 53% | 0.529 | 24% | 0.24 | S | C | . | . | trans | -123.9 | 64.5 | -180 | -57.5 | 171.9 | 0 | 0 | 0 | 111.3 | H213 G218 C219 | H213-L216 HydrophobicContact CB-CB 4.09Å; H213-L216 CarbonylContact O-C 3.51Å; H213-L216 PolarHBondContact O-N 3.35Å; H213-L216 VanDerWaalsContact O-N 3.11Å; L216-G218 PolarHBondContact O-N 3.17Å; L216-C219 HydrophobicContact CB-CB 4.49Å; L216-C219 PolarHBondContact O-N 2.87Å | ||
| 217 | P | 74.5 | Confident | 90 | Very high | 108 Ų | 108 | 42.5 Ų | 42.5 | 70% | 0.701 | 24% | 0.236 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -64.8 | -11.2 | -173.7 | 27.4 | -36.6 | 0 | 0 | 0 | 114.5 | E215 | E215-P217 VanDerWaalsContact C-CD 3.41Å; E215-P217 WeakPolarHBondContact O-CD 3.45Å |
| 218 | G | 79.3 | Confident | 90 | Very high | 42 Ų | 42 | 43.2 Ų | 43.2 | 43% | 0.433 | 24% | 0.241 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -83.4 | -17.2 | 175.4 | 0 | 0 | 0 | 0 | 0 | 114.4 | L216 P246 | L216-G218 PolarHBondContact O-N 3.17Å; G218-P246 WeakPolarHBondContact O-CD 3.37Å; G218-P246 VanDerWaalsContact O-CG 3.29Å; G218-P246 WeakPolarHBondContact O-CG 3.26Å |
| 219 | C | 82.6 | Confident | 90 | Very high | 37 Ų | 37 | 41.9 Ų | 41.9 | 25% | 0.25 | 23% | 0.233 | C | C | . | . | trans | -110.4 | 113.3 | -176.8 | -66.7 | 0 | 0 | 0 | 0 | 109.8 | L216 | L216-C219 HydrophobicContact CB-CB 4.49Å; L216-C219 PolarHBondContact O-N 2.87Å | ||
| 220 | C | 88.4 | Confident | 90 | Very high | 19 Ų | 19 | 44.3 Ų | 44.3 | 13% | 0.128 | 25% | 0.25 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.4 | 144.7 | -176.9 | -50.7 | 0 | 0 | 0 | 0 | 110.4 | N212 F222 S243 K244 | N212-C220 VanDerWaalsContact OD1-CB 3.31Å; N212-C220 WeakPolarHBondContact OD1-CB 3.3Å; N212-C220 PolarHBondContact OD1-SG 2.8Å; C220-F222 HydrophobicContact CB-CE2 4.03Å; C220-F222 HydrophobicContact CB-CZ 3.96Å; C220-S243 WeakPolarHBondContact O-CA 3.48Å; C220-K244 HydrophobicContact CB-CB 4.47Å; C220-K244 PolarHBondContact N-O 2.98Å; C220-K244 PolarHBondContact O-N 3.45Å |
| 221 | F | 92.1 | Very high | 89.9 | Confident | 45 Ų | 45 | 46.7 Ų | 46.7 | 20% | 0.197 | 27% | 0.265 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.5 | 149.2 | 166.8 | -64.4 | -90.5 | 0 | 0 | 0 | 110.2 | L211 L241 L242 A262 V286 | L211-F221 HydrophobicContact CB-CB 4.17Å; L211-F221 HydrophobicContact CD1-CB 4.44Å; L211-F221 PolarHBondContact N-O 3.03Å; L211-F221 PolarHBondContact O-N 2.83Å; F221-L241 HydrophobicContact CB-CD1 3.92Å; F221-L241 HydrophobicContact CD1-CD1 3.99Å; F221-L241 HydrophobicContact CD1-CD2 4.41Å; F221-L241 HydrophobicContact CD1-CG 4.31Å; F221-L241 HydrophobicContact CG-CD1 4.36Å; F221-L242 CarbonylContact C-O 3.53Å; F221-L242 WeakPolarHBondContact CA-O 3.35Å; F221-A262 HydrophobicContact CE1-CB 4.35Å; F221-V286 HydrophobicContact CD2-CG2 3.67Å; F221-V286 HydrophobicContact CE2-CG2 3.97Å |
| 222 | F | 94.6 | Very high | 90 | Very high | 55 Ų | 55 | 48.5 Ų | 48.5 | 24% | 0.241 | 28% | 0.283 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.7 | 128.4 | 177.1 | -51.8 | -91 | 0 | 0 | 0 | 108.6 | V208 M209 T210 C220 L241 L242 K244 | V208-F222 HydrophobicContact CG1-CB 4.35Å; V208-F222 HydrophobicContact CG1-CD1 4.03Å; M209-F222 CarbonylContact O-C 3.58Å; M209-F222 WeakPolarHBondContact O-CA 3.37Å; T210-F222 HydrophobicContact CG2-CD1 3.93Å; T210-F222 HydrophobicContact CG2-CE1 3.65Å; T210-F222 HydrophobicContact CG2-CZ 4.39Å; T210-F222 WeakPolarHBondContact OG1-CD1 3.45Å; C220-F222 HydrophobicContact CB-CE2 4.03Å; C220-F222 HydrophobicContact CB-CZ 3.96Å; F222-L241 WeakPolarHBondContact O-CA 3.39Å; F222-L242 HydrophobicContact CB-CB 4.23Å; F222-L242 HydrophobicContact CD2-CB 4.44Å; F222-L242 PolarHBondContact N-O 2.9Å; F222-L242 PolarHBondContact O-N 3.24Å; F222-K244 HydrophobicContact CE2-CB 3.77Å |
| 223 | I | 96.4 | Very high | 90.2 | Very high | 0 Ų | 0 | 46.9 Ų | 46.9 | 0% | 0 | 28% | 0.278 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.4 | 109.5 | 164.6 | -57.7 | -63.9 | 0 | 0 | 0 | 106.4 | F187 V208 M209 L211 I239 Q240 L241 F266 I279 | F187-I223 HydrophobicContact CE1-CG2 4.25Å; F187-I223 HydrophobicContact CZ-CG2 4.44Å; V208-I223 WeakPolarHBondContact CA-O 3.48Å; M209-I223 HydrophobicContact CB-CB 4.34Å; M209-I223 HydrophobicContact CE-CB 3.98Å; M209-I223 HydrophobicContact CE-CG1 3.7Å; M209-I223 HydrophobicContact CE-CG2 4.46Å; M209-I223 PolarHBondContact N-O 3.43Å; M209-I223 PolarHBondContact O-N 2.94Å; L211-I223 HydrophobicContact CD1-CG1 4.14Å; I223-I239 HydrophobicContact CG2-CG2 3.83Å; I223-Q240 WeakPolarHBondContact CA-O 3.33Å; I223-L241 HydrophobicContact CD1-CB 4.43Å; I223-L241 HydrophobicContact CD1-CD1 3.6Å; I223-F266 HydrophobicContact CD1-CE1 4.23Å; I223-F266 HydrophobicContact CD1-CE2 4.17Å; I223-F266 HydrophobicContact CD1-CZ 3.82Å; I223-I279 HydrophobicContact CG2-CD1 4.25Å; I223-I279 HydrophobicContact CG2-CG1 4.49Å |
| 224 | Y | 95.1 | Very high | 90.5 | Very high | 71 Ų | 71 | 48.4 Ų | 48.4 | 28% | 0.278 | 29% | 0.294 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.8 | 117.8 | 171.7 | -179.5 | -113.3 | 0 | 0 | 0 | 108.9 | E207 V208 C226 I239 Q240 | E207-Y224 HydrophobicContact CB-CD2 4.02Å; E207-Y224 HydrophobicContact CB-CE2 3.6Å; E207-Y224 HydrophobicContact CG-CE2 4.44Å; E207-Y224 CarbonylContact O-C 3.54Å; E207-Y224 WeakPolarHBondContact O-CA 3.42Å; E207-Y224 WeakPolarHBondContact OE2-CE2 3.36Å; E207-Y224 VanDerWaalsContact OE2-CZ 3.25Å; E207-Y224 PolarHBondContact OE2-OH 3.45Å; V208-Y224 HydrophobicContact CG2-CD2 3.85Å; V208-Y224 HydrophobicContact CG2-CE2 4.47Å; Y224-C226 HydrophobicContact CE1-CB 3.89Å; Y224-C226 WeakPolarHBondContact OH-CB 3.49Å; Y224-I239 CarbonylContact O-C 3.48Å; Y224-I239 VanDerWaalsContact O-CA 3.31Å; Y224-I239 WeakPolarHBondContact O-CA 3.47Å; Y224-Q240 PolarHBondContact N-O 2.99Å; Y224-Q240 PolarHBondContact O-N 3.49Å |
| 225 | W | 95.2 | Very high | 91.1 | Very high | 10 Ų | 10 | 45.7 Ų | 45.7 | 4% | 0.038 | 28% | 0.276 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.9 | 99.7 | -179.2 | -173.3 | -16.2 | 0 | 0 | 0 | 109.9 | R183 T186 F187 E207 K238 I239 T275 I279 | R183-W225 HydrophobicContact CB-CD2 3.91Å; R183-W225 HydrophobicContact CB-CE3 4.14Å; R183-W225 HydrophobicContact CB-CG 4.35Å; R183-W225 HydrophobicContact CB-CH2 4.26Å; R183-W225 HydrophobicContact CB-CZ2 4.11Å; R183-W225 HydrophobicContact CB-CZ3 4.3Å; R183-W225 WeakPolarHBondContact CD-O 3.46Å; R183-W225 HydrophobicContact CG-CB 4.2Å; R183-W225 HydrophobicContact CG-CD2 3.8Å; R183-W225 HydrophobicContact CG-CE3 3.92Å; R183-W225 HydrophobicContact CG-CG 3.94Å; R183-W225 HydrophobicContact CG-CZ3 4.46Å; R183-W225 PolarHBondContact NH1-O 2.97Å; T186-W225 HydrophobicContact CG2-CZ3 3.94Å; F187-W225 HydrophobicContact CD1-CE3 4.5Å; F187-W225 HydrophobicContact CE1-CB 4.46Å; F187-W225 AromaticContact CE1-CE3 3.87Å; F187-W225 HydrophobicContact CE1-CE3 3.87Å; F187-W225 HydrophobicContact CZ-CB 4Å; F187-W225 HydrophobicContact CZ-CE3 4.47Å; E207-W225 PolarHBondContact O-N 2.8Å; W225-K238 WeakPolarHBondContact CA-O 3.45Å; W225-I239 HydrophobicContact CB-CG1 4.35Å; W225-I239 HydrophobicContact CB-CG2 4.33Å; W225-I239 HydrophobicContact CD2-CD1 3.56Å; W225-I239 HydrophobicContact CD2-CG1 3.8Å; W225-I239 HydrophobicContact CE3-CD1 3.86Å; W225-I239 HydrophobicContact CE3-CG1 4.45Å; W225-I239 HydrophobicContact CG-CD1 4.06Å; W225-I239 HydrophobicContact CG-CG1 3.71Å; W225-I239 HydrophobicContact CG-CG2 4.47Å; W225-I239 HydrophobicContact CH2-CD1 4.29Å; W225-I239 HydrophobicContact CZ2-CD1 3.96Å; W225-I239 HydrophobicContact CZ3-CD1 4.21Å; W225-T275 HydrophobicContact CE3-CG2 4.14Å; W225-T275 HydrophobicContact CH2-CG2 3.44Å; W225-T275 VanDerWaalsContact CH2-CG2 3.44Å; W225-T275 HydrophobicContact CZ2-CG2 4.18Å; W225-T275 HydrophobicContact CZ3-CG2 3.39Å; W225-I279 HydrophobicContact CE3-CD1 4.37Å; W225-I279 HydrophobicContact CZ3-CD1 4.29Å |
| 226 | C | 91.9 | Very high | 91.5 | Very high | 9 Ų | 9 | 41.9 Ų | 41.9 | 6% | 0.061 | 26% | 0.264 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.7 | 161 | 173.1 | 74.1 | 0 | 0 | 0 | 0 | 111.6 | E207 Y224 P237 K238 | E207-C226 WeakPolarHBondContact OE1-CA 3.4Å; E207-C226 VanDerWaalsContact OE1-CB 3.27Å; E207-C226 WeakPolarHBondContact OE1-CB 3.48Å; Y224-C226 HydrophobicContact CE1-CB 3.89Å; Y224-C226 WeakPolarHBondContact OH-CB 3.49Å; C226-P237 WeakPolarHBondContact O-CA 3.32Å; C226-K238 PolarHBondContact N-O 2.87Å; C226-K238 PolarHBondContact O-N 2.75Å |
| 227 | V | 92.9 | Very high | 92 | Very high | 2 Ų | 2 | 39.8 Ų | 39.8 | 1% | 0.012 | 26% | 0.256 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.8 | 109.8 | 176.1 | -176.4 | 0 | 0 | 0 | 0 | 108.2 | Y176 K179 V235 | Y176-V227 HydrophobicContact CD2-CB 4.14Å; Y176-V227 HydrophobicContact CD2-CG1 3.62Å; Y176-V227 HydrophobicContact CE2-CB 3.93Å; Y176-V227 HydrophobicContact CE2-CG1 3.94Å; K179-V227 HydrophobicContact CB-CG1 3.92Å; K179-V227 HydrophobicContact CB-CG2 3.9Å; V227-V235 HydrophobicContact CG1-CG1 3.41Å; V227-V235 VanDerWaalsContact CG1-CG1 3.41Å |
| 228 | D | 92.8 | Very high | 93 | Very high | 51 Ų | 51 | 39.2 Ų | 39.2 | 27% | 0.273 | 24% | 0.242 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -91.2 | 143.2 | -179.8 | -74.6 | -5.5 | 0 | 0 | 0 | 111 | V235 T236 K238 | D228-V235 CarbonylContact O-C 3.55Å; D228-V235 WeakPolarHBondContact O-CA 3.34Å; D228-T236 PolarHBondContact N-O 3.45Å; D228-T236 PolarHBondContact O-N 3.45Å; D228-K238 VanDerWaalsContact OD2-CD 3.22Å; D228-K238 WeakPolarHBondContact OD2-CD 3.48Å; D228-K238 WeakPolarHBondContact OD2-CE 3.48Å; D228-K238 IonicContact OD2-NZ 3.47Å; D228-K238 PolarHBondContact OD2-NZ 2.88Å |
| 229 | V | 95.1 | Very high | 93.7 | Very high | 11 Ų | 11 | 37.9 Ų | 37.9 | 7% | 0.067 | 23% | 0.225 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.1 | 118.9 | 173.2 | -175.4 | 0 | 0 | 0 | 0 | 109.1 | L153 F156 T172 Y176 V235 | L153-V229 HydrophobicContact CD2-CB 3.9Å; L153-V229 HydrophobicContact CD2-CG1 4.12Å; L153-V229 HydrophobicContact CD2-CG2 3.58Å; L153-V229 HydrophobicContact CG-CG2 4.49Å; F156-V229 HydrophobicContact CB-CG1 3.94Å; F156-V229 HydrophobicContact CD1-CG1 4.19Å; F156-V229 HydrophobicContact CD2-CG1 4.19Å; F156-V229 HydrophobicContact CG-CG1 3.83Å; T172-V229 HydrophobicContact CG2-CG1 3.48Å; T172-V229 VanDerWaalsContact CG2-CG1 3.48Å; Y176-V229 HydrophobicContact CD2-CG2 3.44Å; Y176-V229 VanDerWaalsContact CD2-CG2 3.44Å; Y176-V229 HydrophobicContact CE2-CG2 4.09Å; Y176-V229 HydrophobicContact CG-CG2 4.2Å; V229-V235 HydrophobicContact CG2-CG2 4.25Å |
| 230 | S | 95.4 | Very high | 94.4 | Very high | 52 Ų | 52 | 40.1 Ų | 40.1 | 36% | 0.364 | 23% | 0.232 | S | C | . | . | trans | -70.1 | 158.3 | 172.4 | 68.8 | 0 | 0 | 0 | 0 | 110.6 | G232 G233 A234 | S230-G232 PolarHBondContact O-N 3.45Å; S230-G232 PolarHBondContact OG-N 3.17Å; S230-G233 PolarHBondContact O-N 2.89Å; S230-G233 PolarHBondContact OG-N 2.99Å; S230-A234 PolarHBondContact N-O 2.89Å; S230-A234 VanDerWaalsContact OG-CB 3.3Å; S230-A234 WeakPolarHBondContact OG-CB 3.43Å; S230-A234 PolarHBondContact OG-N 3.03Å; S230-A234 PolarHBondContact OG-O 2.93Å | ||
| 231 | T | 95 | Very high | 94.7 | Very high | 62 Ų | 62 | 39.7 Ų | 39.7 | 38% | 0.38 | 23% | 0.228 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -56.8 | -20.6 | 170.4 | -38.5 | 0 | 0 | 0 | 0 | 112.2 | S155 R159 G233 | S155-T231 WeakPolarHBondContact O-CG2 3.2Å; S155-T231 PolarHBondContact OG-OG1 2.79Å; R159-T231 HydrophobicContact CB-CG2 3.74Å; R159-T231 WeakPolarHBondContact CD-O 3.29Å; R159-T231 HydrophobicContact CG-CG2 4.15Å; R159-T231 VanDerWaalsContact NH1-C 3.34Å; R159-T231 PolarHBondContact NH1-O 3.04Å; T231-G233 VanDerWaalsContact C-N 3.34Å |
| 232 | G | 95.6 | Very high | 94.7 | Very high | 38 Ų | 38 | 41.6 Ų | 41.6 | 39% | 0.392 | 24% | 0.24 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -85.8 | 2.4 | 174.4 | 0 | 0 | 0 | 0 | 0 | 115.4 | S230 A234 | S230-G232 PolarHBondContact O-N 3.45Å; S230-G232 PolarHBondContact OG-N 3.17Å; G232-A234 VanDerWaalsContact C-N 3.3Å; G232-A234 PolarHBondContact O-N 2.98Å |
| 233 | G | 95.5 | Very high | 94.4 | Very high | 12 Ų | 12 | 42.4 Ų | 42.4 | 12% | 0.124 | 25% | 0.252 | C | S | . | . | S | Bend | trans | 79.8 | 6.4 | -178.4 | 0 | 0 | 0 | 0 | 0 | 114.9 | F156 T172 S230 T231 V235 | F156-G233 VanDerWaalsContact CE2-CA 3.44Å; T172-G233 WeakPolarHBondContact OG1-CA 3.31Å; T172-G233 PolarHBondContact OG1-O 2.94Å; S230-G233 PolarHBondContact O-N 2.89Å; S230-G233 PolarHBondContact OG-N 2.99Å; T231-G233 VanDerWaalsContact C-N 3.34Å; G233-V235 PolarHBondContact O-N 3.31Å |
| 234 | A | 96.6 | Very high | 94 | Very high | 56 Ų | 56 | 49.2 Ų | 49.2 | 46% | 0.463 | 28% | 0.282 | S | S | . | . | trans | -70.6 | 126 | 169.8 | 0 | 0 | 0 | 0 | 0 | 110 | S230 G232 | S230-A234 PolarHBondContact N-O 2.89Å; S230-A234 VanDerWaalsContact OG-CB 3.3Å; S230-A234 WeakPolarHBondContact OG-CB 3.43Å; S230-A234 PolarHBondContact OG-N 3.03Å; S230-A234 PolarHBondContact OG-O 2.93Å; G232-A234 VanDerWaalsContact C-N 3.3Å; G232-A234 PolarHBondContact O-N 2.98Å | ||
| 235 | V | 95.7 | Very high | 93.4 | Very high | 27 Ų | 27 | 48.5 Ų | 48.5 | 16% | 0.164 | 28% | 0.283 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.6 | 122.9 | -179.3 | -179.5 | 0 | 0 | 0 | 0 | 108.8 | T172 K179 V227 D228 V229 G233 | T172-V235 HydrophobicContact CG2-CG2 3.97Å; K179-V235 HydrophobicContact CB-CG1 4.48Å; K179-V235 HydrophobicContact CG-CG1 4.06Å; V227-V235 HydrophobicContact CG1-CG1 3.41Å; V227-V235 VanDerWaalsContact CG1-CG1 3.41Å; D228-V235 CarbonylContact O-C 3.55Å; D228-V235 WeakPolarHBondContact O-CA 3.34Å; V229-V235 HydrophobicContact CG2-CG2 4.25Å; G233-V235 PolarHBondContact O-N 3.31Å |
| 236 | T | 94.4 | Very high | 92.9 | Very high | 72 Ų | 72 | 50.6 Ų | 50.6 | 44% | 0.442 | 30% | 0.298 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.9 | 112.9 | -176.4 | -55.1 | 0 | 0 | 0 | 0 | 110.9 | D228 | D228-T236 PolarHBondContact N-O 3.45Å; D228-T236 PolarHBondContact O-N 3.45Å |
| 237 | P | 93.8 | Very high | 92.3 | Very high | 56 Ų | 56 | 57.7 Ų | 57.7 | 36% | 0.364 | 33% | 0.33 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -70.4 | 135.4 | 170.5 | 30.3 | -33.3 | 0 | 0 | 0 | 110 | K179 C226 | K179-P237 HydrophobicContact CD-CG 4.38Å; C226-P237 WeakPolarHBondContact O-CA 3.32Å |
| 238 | K | 93.6 | Very high | 91.8 | Very high | 96 Ų | 96 | 65.9 Ų | 65.9 | 42% | 0.417 | 37% | 0.365 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.8 | 119.1 | 173.2 | -68 | -178.6 | 178.4 | 171.9 | 0 | 108.9 | W225 C226 D228 | W225-K238 WeakPolarHBondContact CA-O 3.45Å; C226-K238 PolarHBondContact N-O 2.87Å; C226-K238 PolarHBondContact O-N 2.75Å; D228-K238 VanDerWaalsContact OD2-CD 3.22Å; D228-K238 WeakPolarHBondContact OD2-CD 3.48Å; D228-K238 WeakPolarHBondContact OD2-CE 3.48Å; D228-K238 IonicContact OD2-NZ 3.47Å; D228-K238 PolarHBondContact OD2-NZ 2.88Å |
| 239 | I | 95.9 | Very high | 91 | Very high | 15 Ų | 15 | 64.8 Ų | 64.8 | 8% | 0.077 | 36% | 0.363 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118 | 125.8 | -177.9 | -43.9 | -176 | 0 | 0 | 0 | 108.3 | I223 Y224 W225 F266 Q267 L270 T275 | I223-I239 HydrophobicContact CG2-CG2 3.83Å; Y224-I239 CarbonylContact O-C 3.48Å; Y224-I239 VanDerWaalsContact O-CA 3.31Å; Y224-I239 WeakPolarHBondContact O-CA 3.47Å; W225-I239 HydrophobicContact CB-CG1 4.35Å; W225-I239 HydrophobicContact CB-CG2 4.33Å; W225-I239 HydrophobicContact CD2-CD1 3.56Å; W225-I239 HydrophobicContact CD2-CG1 3.8Å; W225-I239 HydrophobicContact CE3-CD1 3.86Å; W225-I239 HydrophobicContact CE3-CG1 4.45Å; W225-I239 HydrophobicContact CG-CD1 4.06Å; W225-I239 HydrophobicContact CG-CG1 3.71Å; W225-I239 HydrophobicContact CG-CG2 4.47Å; W225-I239 HydrophobicContact CH2-CD1 4.29Å; W225-I239 HydrophobicContact CZ2-CD1 3.96Å; W225-I239 HydrophobicContact CZ3-CD1 4.21Å; I239-F266 HydrophobicContact CG2-CE1 3.87Å; I239-F266 HydrophobicContact CG2-CZ 3.93Å; I239-Q267 PolarHBondContact O-NE2 3.39Å; I239-L270 HydrophobicContact CB-CD1 3.95Å; I239-L270 HydrophobicContact CB-CD2 4.46Å; I239-L270 HydrophobicContact CD1-CD2 4.21Å; I239-L270 HydrophobicContact CG2-CD1 4.41Å; I239-T275 HydrophobicContact CD1-CG2 3.5Å; I239-T275 VanDerWaalsContact CD1-CG2 3.5Å |
| 240 | Q | 95.4 | Very high | 90.1 | Very high | 84 Ų | 84 | 68.7 Ų | 68.7 | 39% | 0.393 | 38% | 0.383 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.7 | 144.1 | -177 | -58.6 | -177 | 23.6 | 0 | 0 | 110.3 | I223 Y224 | I223-Q240 WeakPolarHBondContact CA-O 3.33Å; Y224-Q240 PolarHBondContact N-O 2.99Å; Y224-Q240 PolarHBondContact O-N 3.49Å |
| 241 | L | 95.1 | Very high | 89.3 | Confident | 10 Ų | 10 | 73.5 Ų | 73.5 | 5% | 0.052 | 40% | 0.4 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.1 | 118.9 | 170.5 | 177.3 | 69.8 | 0 | 0 | 0 | 108.1 | F221 F222 I223 A262 F266 I282 | F221-L241 HydrophobicContact CB-CD1 3.92Å; F221-L241 HydrophobicContact CD1-CD1 3.99Å; F221-L241 HydrophobicContact CD1-CD2 4.41Å; F221-L241 HydrophobicContact CD1-CG 4.31Å; F221-L241 HydrophobicContact CG-CD1 4.36Å; F222-L241 WeakPolarHBondContact O-CA 3.39Å; I223-L241 HydrophobicContact CD1-CB 4.43Å; I223-L241 HydrophobicContact CD1-CD1 3.6Å; L241-A262 HydrophobicContact CD2-CB 3.96Å; L241-F266 HydrophobicContact CB-CB 3.97Å; L241-F266 HydrophobicContact CB-CD1 3.49Å; L241-F266 VanDerWaalsContact CB-CD1 3.49Å; L241-F266 HydrophobicContact CB-CE1 4.1Å; L241-F266 HydrophobicContact CB-CG 3.8Å; L241-F266 HydrophobicContact CD2-CB 3.88Å; L241-F266 HydrophobicContact CD2-CG 4.26Å; L241-I282 HydrophobicContact CD1-CG2 4.15Å; L241-I282 HydrophobicContact CD2-CD1 4.06Å; L241-I282 HydrophobicContact CD2-CG1 4.39Å; L241-I282 HydrophobicContact CD2-CG2 4.46Å |
| 242 | L | 92.6 | Very high | 88.4 | Confident | 84 Ų | 84 | 76.7 Ų | 76.7 | 44% | 0.44 | 41% | 0.414 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.5 | 149.5 | 172.6 | -51.2 | 175.4 | 0 | 0 | 0 | 108.7 | F221 F222 | F221-L242 CarbonylContact C-O 3.53Å; F221-L242 WeakPolarHBondContact CA-O 3.35Å; F222-L242 HydrophobicContact CB-CB 4.23Å; F222-L242 HydrophobicContact CD2-CB 4.44Å; F222-L242 PolarHBondContact N-O 2.9Å; F222-L242 PolarHBondContact O-N 3.24Å |
| 243 | S | 89.2 | Confident | 87.2 | Confident | 72 Ų | 72 | 82.4 Ų | 82.4 | 50% | 0.503 | 43% | 0.428 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.6 | 143.9 | 175.8 | 63.5 | 0 | 0 | 0 | 0 | 110.8 | C220 | C220-S243 WeakPolarHBondContact O-CA 3.48Å |
| 244 | K | 87.8 | Confident | 85.6 | Confident | 143 Ų | 143 | 87.7 Ų | 87.7 | 62% | 0.622 | 46% | 0.461 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -121.7 | 99.1 | 169.1 | -178.2 | 179.6 | -180 | -178.2 | 0 | 107 | C220 F222 | C220-K244 HydrophobicContact CB-CB 4.47Å; C220-K244 PolarHBondContact N-O 2.98Å; C220-K244 PolarHBondContact O-N 3.45Å; F222-K244 HydrophobicContact CE2-CB 3.77Å |
| 245 | I | 82.5 | Confident | 84 | Confident | 56 Ų | 56 | 89.6 Ų | 89.6 | 29% | 0.287 | 47% | 0.471 | S | S | . | . | trans | -115 | 133.8 | -179.4 | -58.6 | 172.1 | 0 | 0 | 0 | 107.6 | A249 L250 | I245-A249 HydrophobicContact CG2-CB 3.99Å; I245-L250 HydrophobicContact CB-CD2 4.03Å; I245-L250 HydrophobicContact CB-CG 4.19Å; I245-L250 HydrophobicContact CD1-CD2 4.23Å; I245-L250 HydrophobicContact CG2-CD2 3.82Å; I245-L250 HydrophobicContact CG2-CG 3.87Å | ||
| 246 | P | 83.3 | Confident | 82.2 | Confident | 55 Ų | 55 | 97.1 Ų | 97.1 | 36% | 0.357 | 50% | 0.504 | S | S | . | . | trans | -61.8 | 138.3 | 178.7 | -21.5 | 34.7 | 0 | 0 | 0 | 111.1 | G218 K248 A249 L250 | G218-P246 WeakPolarHBondContact O-CD 3.37Å; G218-P246 VanDerWaalsContact O-CG 3.29Å; G218-P246 WeakPolarHBondContact O-CG 3.26Å; P246-K248 PolarHBondContact O-N 3.2Å; P246-K248 VanDerWaalsContact O-N 3.12Å; P246-A249 WeakPolarHBondContact O-CA 3.47Å; P246-A249 WeakPolarHBondContact O-CB 3.31Å; P246-A249 PolarHBondContact O-N 3.14Å; P246-L250 PolarHBondContact O-N 3.28Å; P246-L250 VanDerWaalsContact O-N 3.17Å | ||
| 247 | E | 80.9 | Confident | 80.4 | Confident | 158 Ų | 158 | 97.9 Ų | 97.9 | 74% | 0.738 | 51% | 0.51 | S | S | * | . | H | α-helix | trans | -54.6 | -37.3 | -177.6 | -68 | -179.9 | 175 | 0 | 0 | 113.1 | A249 L250 Q251 | E247-A249 VanDerWaalsContact C-N 3.26Å; E247-A249 PolarHBondContact O-N 2.88Å; E247-L250 PolarHBondContact O-N 3.47Å; E247-Q251 WeakPolarHBondContact O-CG 3.41Å; E247-Q251 PolarHBondContact O-N 3.19Å; E247-Q251 VanDerWaalsContact O-N 3.12Å |
| 248 | K | 80.7 | Confident | 78.2 | Confident | 174 Ų | 174 | 100.7 Ų | 100.7 | 76% | 0.757 | 54% | 0.538 | S | S | * | . | H | α-helix | trans | -60.9 | -34.8 | 176.3 | -64.3 | -177.9 | -178.2 | 178.7 | 0 | 112.7 | P246 | P246-K248 PolarHBondContact O-N 3.2Å; P246-K248 VanDerWaalsContact O-N 3.12Å |
| 249 | A | 77 | Confident | 76.2 | Confident | 28 Ų | 28 | 99.3 Ų | 99.3 | 23% | 0.231 | 55% | 0.551 | C | S | . | * | H | α-helix | trans | -75.9 | -36.5 | 177 | 0 | 0 | 0 | 0 | 0 | 111.3 | I245 P246 E247 Q251 L252 F253 | I245-A249 HydrophobicContact CG2-CB 3.99Å; P246-A249 WeakPolarHBondContact O-CA 3.47Å; P246-A249 WeakPolarHBondContact O-CB 3.31Å; P246-A249 PolarHBondContact O-N 3.14Å; E247-A249 VanDerWaalsContact C-N 3.26Å; E247-A249 PolarHBondContact O-N 2.88Å; A249-Q251 VanDerWaalsContact C-N 3.27Å; A249-Q251 PolarHBondContact O-N 3.13Å; A249-L252 WeakPolarHBondContact O-CB 3.35Å; A249-L252 PolarHBondContact O-N 3.49Å; A249-L252 VanDerWaalsContact O-N 3.09Å; A249-F253 WeakPolarHBondContact O-CD2 3.34Å |
| 250 | L | 76.1 | Confident | 74.5 | Confident | 92 Ų | 92 | 101.4 Ų | 101.4 | 48% | 0.482 | 58% | 0.577 | S | S | . | * | H | α-helix | trans | -61.8 | -34.6 | 175.1 | -68.2 | 173.9 | 0 | 0 | 0 | 112.4 | I245 P246 E247 L252 F253 | I245-L250 HydrophobicContact CB-CD2 4.03Å; I245-L250 HydrophobicContact CB-CG 4.19Å; I245-L250 HydrophobicContact CD1-CD2 4.23Å; I245-L250 HydrophobicContact CG2-CD2 3.82Å; I245-L250 HydrophobicContact CG2-CG 3.87Å; P246-L250 PolarHBondContact O-N 3.28Å; P246-L250 VanDerWaalsContact O-N 3.17Å; E247-L250 PolarHBondContact O-N 3.47Å; L250-L252 PolarHBondContact O-N 3.08Å; L250-F253 CarbonylContact O-C 3.51Å; L250-F253 PolarHBondContact O-N 3.18Å |
| 251 | Q | 78.7 | Confident | 73.7 | Confident | 153 Ų | 153 | 98.5 Ų | 98.5 | 72% | 0.715 | 57% | 0.569 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -63.2 | -22.2 | 175.9 | -70 | 175.3 | 7.6 | 0 | 0 | 113.6 | E247 A249 F253 | E247-Q251 WeakPolarHBondContact O-CG 3.41Å; E247-Q251 PolarHBondContact O-N 3.19Å; E247-Q251 VanDerWaalsContact O-N 3.12Å; A249-Q251 VanDerWaalsContact C-N 3.27Å; A249-Q251 PolarHBondContact O-N 3.13Å; Q251-F253 VanDerWaalsContact C-N 3.29Å |
| 252 | L | 76.3 | Confident | 73.2 | Confident | 129 Ų | 129 | 100.3 Ų | 100.3 | 68% | 0.675 | 59% | 0.586 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -77.7 | -15.9 | 176.4 | -58.6 | 173.1 | 0 | 0 | 0 | 112.5 | A249 L250 P254 | A249-L252 WeakPolarHBondContact O-CB 3.35Å; A249-L252 PolarHBondContact O-N 3.49Å; A249-L252 VanDerWaalsContact O-N 3.09Å; L250-L252 PolarHBondContact O-N 3.08Å; L252-P254 VanDerWaalsContact C-CD 3.48Å; L252-P254 WeakPolarHBondContact O-CD 3.45Å |
| 253 | F | 71 | Confident | 73 | Confident | 158 Ų | 158 | 98.6 Ų | 98.6 | 69% | 0.693 | 58% | 0.583 | S | S | * | * | trans | -123.4 | 74.1 | -179.2 | -57.5 | -75.4 | 0 | 0 | 0 | 110.7 | A249 L250 Q251 S255 | A249-F253 WeakPolarHBondContact O-CD2 3.34Å; L250-F253 CarbonylContact O-C 3.51Å; L250-F253 PolarHBondContact O-N 3.18Å; Q251-F253 VanDerWaalsContact C-N 3.29Å; F253-S255 PolarHBondContact O-N 2.92Å | ||
| 254 | P | 61.3 | Low | 73 | Confident | 124 Ų | 124 | 96.2 Ų | 96.2 | 81% | 0.805 | 57% | 0.57 | S | S | * | * | trans | -68.6 | -15.7 | -171.8 | 24.9 | -33.4 | 0 | 0 | 0 | 114.7 | L252 | L252-P254 VanDerWaalsContact C-CD 3.48Å; L252-P254 WeakPolarHBondContact O-CD 3.45Å | ||
| 255 | S | 63.1 | Low | 73.1 | Confident | 96 Ų | 96 | 92 Ų | 92 | 67% | 0.671 | 56% | 0.562 | S | S | * | * | S | Bend | trans | -99.7 | 114.9 | 177.8 | 49.6 | 0 | 0 | 0 | 0 | 111.2 | F253 | F253-S255 PolarHBondContact O-N 2.92Š|
| 256 | Q | 58.5 | Low | 73.6 | Confident | 184 Ų | 184 | 89.3 Ų | 89.3 | 86% | 0.86 | 55% | 0.548 | S | S | * | . | P | Polyproline II helix | trans | -66.8 | 135.4 | 165.3 | -81.3 | -172.6 | -16.2 | 0 | 0 | 109.8 | A258 | Q256-A258 PolarHBondContact O-N 3.14Š|
| 257 | P | 55.8 | Low | 74.2 | Confident | 89 Ų | 89 | 91 Ų | 91 | 58% | 0.578 | 55% | 0.552 | S | S | * | * | P | Polyproline II helix | trans | -58 | 138.3 | 175.4 | -19.7 | 29.4 | 0 | 0 | 0 | 111 | G259 | P257-G259 PolarHBondContact O-N 2.97Š|
| 258 | A | 46.8 | Very low | 74.8 | Confident | 114 Ų | 114 | 86.6 Ų | 86.6 | 94% | 0.942 | 54% | 0.538 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -59.3 | 121.3 | 170.1 | 0 | 0 | 0 | 0 | 0 | 109.2 | Q256 | Q256-A258 PolarHBondContact O-N 3.14Š|
| 259 | G | 51.4 | Low | 75.4 | Confident | 67 Ų | 67 | 80.6 Ų | 80.6 | 69% | 0.691 | 51% | 0.514 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 113.4 | 18.2 | 179.8 | 0 | 0 | 0 | 0 | 0 | 116.9 | P257 | P257-G259 PolarHBondContact O-N 2.97Š|
| 260 | G | 61.3 | Low | 76.3 | Confident | 60 Ų | 60 | 80.6 Ų | 80.6 | 62% | 0.619 | 51% | 0.51 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 86.4 | 24.7 | 170 | 0 | 0 | 0 | 0 | 0 | 114.9 | G264 | G260-G264 PolarHBondContact O-N 3.48Š|
| 261 | G | 79.3 | Confident | 77.2 | Confident | 23 Ų | 23 | 87 Ų | 87 | 24% | 0.237 | 53% | 0.528 | C | S | . | . | H | α-helix | trans | 64 | -160.8 | 176.3 | 0 | 0 | 0 | 0 | 0 | 114.2 | A263 G264 A265 | G261-A263 VanDerWaalsContact C-N 3.27Å; G261-A263 PolarHBondContact O-N 2.88Å; G261-G264 PolarHBondContact O-N 3.23Å; G261-A265 PolarHBondContact O-N 3.17Å; G261-A265 VanDerWaalsContact O-N 3.13Å |
| 262 | A | 83.6 | Confident | 78 | Confident | 48 Ų | 48 | 86.1 Ų | 86.1 | 40% | 0.397 | 53% | 0.526 | S | S | . | . | H | α-helix | trans | -58.1 | -36.9 | -177.8 | 0 | 0 | 0 | 0 | 0 | 113 | F221 L241 A265 F266 | F221-A262 HydrophobicContact CE1-CB 4.35Å; L241-A262 HydrophobicContact CD2-CB 3.96Å; A262-A265 PolarHBondContact O-N 3.29Å; A262-F266 WeakPolarHBondContact O-CB 3.36Å; A262-F266 PolarHBondContact O-N 3.01Å |
| 263 | A | 89.1 | Confident | 78.9 | Confident | 47 Ų | 47 | 84 Ų | 84 | 39% | 0.388 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -64.2 | -44 | 178 | 0 | 0 | 0 | 0 | 0 | 112.4 | G261 F266 Q267 | G261-A263 VanDerWaalsContact C-N 3.27Å; G261-A263 PolarHBondContact O-N 2.88Å; A263-F266 PolarHBondContact O-N 3.14Å; A263-Q267 WeakPolarHBondContact O-CG 3.14Å; A263-Q267 PolarHBondContact O-N 3.32Å |
| 264 | G | 89.3 | Confident | 80.1 | Confident | 22 Ų | 22 | 77.9 Ų | 77.9 | 23% | 0.227 | 50% | 0.497 | C | S | . | . | H | α-helix | trans | -66.2 | -40.8 | 177 | 0 | 0 | 0 | 0 | 0 | 113 | G260 G261 F266 Q267 S268 | G260-G264 PolarHBondContact O-N 3.48Å; G261-G264 PolarHBondContact O-N 3.23Å; G264-F266 VanDerWaalsContact C-N 3.34Å; G264-F266 PolarHBondContact O-N 3.29Å; G264-Q267 PolarHBondContact O-N 3.32Å; G264-S268 PolarHBondContact O-N 3.16Å; G264-S268 VanDerWaalsContact O-N 3.17Å; G264-S268 PolarHBondContact O-OG 2.86Å; G264-S268 VanDerWaalsContact O-OG 3.14Å |
| 265 | A | 89.6 | Confident | 81.7 | Confident | 54 Ų | 54 | 74.2 Ų | 74.2 | 45% | 0.446 | 47% | 0.472 | S | S | . | . | H | α-helix | trans | -61.2 | -43.4 | 173.2 | 0 | 0 | 0 | 0 | 0 | 111.4 | G261 A262 Q267 S268 L269 | G261-A265 PolarHBondContact O-N 3.17Å; G261-A265 VanDerWaalsContact O-N 3.13Å; A262-A265 PolarHBondContact O-N 3.29Å; A265-Q267 PolarHBondContact O-N 3.38Å; A265-S268 WeakPolarHBondContact O-CB 3.36Å; A265-S268 PolarHBondContact O-N 2.79Å; A265-S268 VanDerWaalsContact O-N 3.14Å; A265-L269 WeakPolarHBondContact O-CG 3.34Å; A265-L269 PolarHBondContact O-N 3.25Å |
| 266 | F | 93.8 | Very high | 83.3 | Confident | 0 Ų | 0 | 75 Ų | 75 | 0% | 0 | 47% | 0.465 | C | S | . | . | H | α-helix | trans | -62.1 | -42.3 | 177.4 | -179.3 | -114.8 | 0 | 0 | 0 | 112.9 | I223 I239 L241 A262 A263 G264 S268 L269 L270 A278 I279 I282 | I223-F266 HydrophobicContact CD1-CE1 4.23Å; I223-F266 HydrophobicContact CD1-CE2 4.17Å; I223-F266 HydrophobicContact CD1-CZ 3.82Å; I239-F266 HydrophobicContact CG2-CE1 3.87Å; I239-F266 HydrophobicContact CG2-CZ 3.93Å; L241-F266 HydrophobicContact CB-CB 3.97Å; L241-F266 HydrophobicContact CB-CD1 3.49Å; L241-F266 VanDerWaalsContact CB-CD1 3.49Å; L241-F266 HydrophobicContact CB-CE1 4.1Å; L241-F266 HydrophobicContact CB-CG 3.8Å; L241-F266 HydrophobicContact CD2-CB 3.88Å; L241-F266 HydrophobicContact CD2-CG 4.26Å; A262-F266 WeakPolarHBondContact O-CB 3.36Å; A262-F266 PolarHBondContact O-N 3.01Å; A263-F266 PolarHBondContact O-N 3.14Å; G264-F266 VanDerWaalsContact C-N 3.34Å; G264-F266 PolarHBondContact O-N 3.29Å; F266-S268 PolarHBondContact O-N 3.09Å; F266-L269 PolarHBondContact O-N 3.1Å; F266-L269 VanDerWaalsContact O-N 3.14Å; F266-L270 HydrophobicContact CD1-CD1 3.91Å; F266-L270 HydrophobicContact CD1-CG 4.35Å; F266-L270 HydrophobicContact CE1-CD1 3.53Å; F266-L270 HydrophobicContact CE1-CD2 4.36Å; F266-L270 HydrophobicContact CE1-CG 4Å; F266-L270 HydrophobicContact CE2-CD2 4.33Å; F266-L270 HydrophobicContact CE2-CG 4.24Å; F266-L270 HydrophobicContact CZ-CD1 3.95Å; F266-L270 HydrophobicContact CZ-CD2 3.91Å; F266-L270 HydrophobicContact CZ-CG 3.93Å; F266-L270 WeakPolarHBondContact O-CG 3.45Å; F266-L270 PolarHBondContact O-N 2.87Å; F266-A278 HydrophobicContact CD2-CB 4.44Å; F266-A278 HydrophobicContact CE2-CB 4.01Å; F266-I279 HydrophobicContact CE2-CG1 4.19Å; F266-I279 HydrophobicContact CZ-CG1 4.1Å; F266-I282 HydrophobicContact CB-CD1 4.38Å; F266-I282 HydrophobicContact CD2-CD1 4.02Å; F266-I282 HydrophobicContact CD2-CG1 3.51Å; F266-I282 HydrophobicContact CE2-CG1 3.97Å; F266-I282 HydrophobicContact CG-CG1 4.4Å |
| 267 | Q | 94.6 | Very high | 85.1 | Confident | 92 Ų | 92 | 68.2 Ų | 68.2 | 43% | 0.43 | 44% | 0.441 | S | S | . | . | H | α-helix | trans | -60.5 | -36 | 174.1 | -69.3 | -57.2 | -41.7 | 0 | 0 | 112.5 | I239 A263 G264 A265 R271 | I239-Q267 PolarHBondContact O-NE2 3.39Å; A263-Q267 WeakPolarHBondContact O-CG 3.14Å; A263-Q267 PolarHBondContact O-N 3.32Å; G264-Q267 PolarHBondContact O-N 3.32Å; A265-Q267 PolarHBondContact O-N 3.38Å; Q267-R271 PolarHBondContact O-N 3.07Å |
| 268 | S | 93.6 | Very high | 87.1 | Confident | 65 Ų | 65 | 64 Ų | 64 | 46% | 0.455 | 41% | 0.413 | S | S | . | . | H | α-helix | trans | -67 | -42.6 | 175 | -56.9 | 0 | 0 | 0 | 0 | 111.3 | G264 A265 F266 R271 I272 | G264-S268 PolarHBondContact O-N 3.16Å; G264-S268 VanDerWaalsContact O-N 3.17Å; G264-S268 PolarHBondContact O-OG 2.86Å; G264-S268 VanDerWaalsContact O-OG 3.14Å; A265-S268 WeakPolarHBondContact O-CB 3.36Å; A265-S268 PolarHBondContact O-N 2.79Å; A265-S268 VanDerWaalsContact O-N 3.14Å; F266-S268 PolarHBondContact O-N 3.09Å; S268-R271 PolarHBondContact O-N 2.96Å; S268-I272 WeakPolarHBondContact O-CD1 3.44Å; S268-I272 VanDerWaalsContact O-CG1 3.26Å; S268-I272 WeakPolarHBondContact O-CG1 3.37Å; S268-I272 PolarHBondContact O-N 3.27Å; S268-I272 VanDerWaalsContact O-N 3.08Å |
| 269 | L | 94.6 | Very high | 89.4 | Confident | 48 Ų | 48 | 58.6 Ų | 58.6 | 25% | 0.251 | 37% | 0.368 | S | S | . | . | H | α-helix | trans | -63 | -43.4 | 175.8 | -67.4 | 170 | 0 | 0 | 0 | 111.9 | A265 F266 R271 I272 L273 A278 I282 | A265-L269 WeakPolarHBondContact O-CG 3.34Å; A265-L269 PolarHBondContact O-N 3.25Å; F266-L269 PolarHBondContact O-N 3.1Å; F266-L269 VanDerWaalsContact O-N 3.14Å; L269-R271 PolarHBondContact O-N 3.13Å; L269-I272 PolarHBondContact O-N 3.33Å; L269-L273 HydrophobicContact CB-CD1 4.43Å; L269-L273 HydrophobicContact CD2-CD1 3.6Å; L269-L273 HydrophobicContact CD2-CG 4.37Å; L269-L273 WeakPolarHBondContact O-CB 3.31Å; L269-L273 PolarHBondContact O-N 3.3Å; L269-A278 HydrophobicContact CB-CB 3.73Å; L269-I282 HydrophobicContact CD1-CD1 4.37Å |
| 270 | L | 95.3 | Very high | 91.6 | Very high | 28 Ų | 28 | 56.9 Ų | 56.9 | 15% | 0.147 | 34% | 0.343 | C | S | . | . | H | α-helix | trans | -55.6 | -41.6 | 175.9 | -76.3 | 172.9 | 0 | 0 | 0 | 111.7 | I239 F266 G274 A278 | I239-L270 HydrophobicContact CB-CD1 3.95Å; I239-L270 HydrophobicContact CB-CD2 4.46Å; I239-L270 HydrophobicContact CD1-CD2 4.21Å; I239-L270 HydrophobicContact CG2-CD1 4.41Å; F266-L270 HydrophobicContact CD1-CD1 3.91Å; F266-L270 HydrophobicContact CD1-CG 4.35Å; F266-L270 HydrophobicContact CE1-CD1 3.53Å; F266-L270 HydrophobicContact CE1-CD2 4.36Å; F266-L270 HydrophobicContact CE1-CG 4Å; F266-L270 HydrophobicContact CE2-CD2 4.33Å; F266-L270 HydrophobicContact CE2-CG 4.24Å; F266-L270 HydrophobicContact CZ-CD1 3.95Å; F266-L270 HydrophobicContact CZ-CD2 3.91Å; F266-L270 HydrophobicContact CZ-CG 3.93Å; F266-L270 WeakPolarHBondContact O-CG 3.45Å; F266-L270 PolarHBondContact O-N 2.87Å; L270-G274 VanDerWaalsContact O-CA 3.31Å; L270-G274 WeakPolarHBondContact O-CA 3.23Å; L270-G274 PolarHBondContact O-N 3.38Å; L270-G274 VanDerWaalsContact O-N 3.16Å; L270-A278 HydrophobicContact CD2-CB 3.84Å; L270-A278 HydrophobicContact CG-CB 4.12Å |
| 271 | R | 94.4 | Very high | 93.2 | Very high | 227 Ų | 227 | 56.1 Ų | 56.1 | 86% | 0.857 | 33% | 0.328 | S | S | * | . | H | α-helix | trans | -71.5 | -34.9 | 179.8 | -172.6 | 176.7 | -179.5 | 175.5 | 1.3 | 113.4 | Q267 S268 L269 | Q267-R271 PolarHBondContact O-N 3.07Å; S268-R271 PolarHBondContact O-N 2.96Å; L269-R271 PolarHBondContact O-N 3.13Å |
| 272 | I | 96.1 | Very high | 93.9 | Very high | 133 Ų | 133 | 56 Ų | 56 | 68% | 0.682 | 32% | 0.321 | S | S | * | . | H | α-helix | trans | -89.4 | -45.3 | -173.3 | -63.7 | 166.4 | 0 | 0 | 0 | 111.4 | S268 L269 | S268-I272 WeakPolarHBondContact O-CD1 3.44Å; S268-I272 VanDerWaalsContact O-CG1 3.26Å; S268-I272 WeakPolarHBondContact O-CG1 3.37Å; S268-I272 PolarHBondContact O-N 3.27Å; S268-I272 VanDerWaalsContact O-N 3.08Å; L269-I272 PolarHBondContact O-N 3.33Å |
| 273 | L | 95.5 | Very high | 94.4 | Very high | 86 Ų | 86 | 53.7 Ų | 53.7 | 45% | 0.45 | 30% | 0.302 | S | S | . | . | H | α-helix | trans | -103.1 | -18.5 | -169.9 | -55.1 | 179 | 0 | 0 | 0 | 113.1 | L269 A277 | L269-L273 HydrophobicContact CB-CD1 4.43Å; L269-L273 HydrophobicContact CD2-CD1 3.6Å; L269-L273 HydrophobicContact CD2-CG 4.37Å; L269-L273 WeakPolarHBondContact O-CB 3.31Å; L269-L273 PolarHBondContact O-N 3.3Å; L273-A277 HydrophobicContact CB-CB 3.75Å; L273-A277 HydrophobicContact CD1-CB 4.48Å |
| 274 | G | 95.3 | Very high | 94.5 | Very high | 29 Ų | 29 | 58.7 Ų | 58.7 | 30% | 0.299 | 31% | 0.311 | S | S | . | . | trans | 80.5 | 176.7 | -168.3 | 0 | 0 | 0 | 0 | 0 | 112.8 | L270 A278 | L270-G274 VanDerWaalsContact O-CA 3.31Å; L270-G274 WeakPolarHBondContact O-CA 3.23Å; L270-G274 PolarHBondContact O-N 3.38Å; L270-G274 VanDerWaalsContact O-N 3.16Å; G274-A278 WeakPolarHBondContact O-CB 3.46Å; G274-A278 PolarHBondContact O-N 3.14Å; G274-A278 VanDerWaalsContact O-N 3.07Å | ||
| 275 | T | 95.3 | Very high | 94.5 | Very high | 47 Ų | 47 | 60.5 Ų | 60.5 | 29% | 0.288 | 32% | 0.324 | S | S | . | . | H | α-helix | trans | -59.3 | -57.5 | -167.6 | -56.3 | 0 | 0 | 0 | 0 | 114.4 | W225 I239 A278 I279 | W225-T275 HydrophobicContact CE3-CG2 4.14Å; W225-T275 HydrophobicContact CH2-CG2 3.44Å; W225-T275 VanDerWaalsContact CH2-CG2 3.44Å; W225-T275 HydrophobicContact CZ2-CG2 4.18Å; W225-T275 HydrophobicContact CZ3-CG2 3.39Å; I239-T275 HydrophobicContact CD1-CG2 3.5Å; I239-T275 VanDerWaalsContact CD1-CG2 3.5Å; T275-A278 PolarHBondContact O-N 3.24Å; T275-I279 HydrophobicContact CG2-CD1 3.84Å; T275-I279 WeakPolarHBondContact O-CG1 3.39Å; T275-I279 PolarHBondContact O-N 3.42Å |
| 276 | E | 95.9 | Very high | 94.5 | Very high | 111 Ų | 111 | 58.8 Ų | 58.8 | 52% | 0.519 | 31% | 0.308 | S | S | . | . | H | α-helix | trans | -64.3 | -49.1 | -172.1 | -64.7 | -175.1 | 165.8 | 0 | 0 | 111.3 | T186 F190 A278 I279 E280 | T186-E276 HydrophobicContact CG2-CG 4.14Å; F190-E276 HydrophobicContact CZ-CB 4.37Å; F190-E276 VanDerWaalsContact CZ-O 3.31Å; F190-E276 WeakPolarHBondContact CZ-O 3.38Å; E276-A278 VanDerWaalsContact C-N 3.33Å; E276-A278 PolarHBondContact O-N 3.02Å; E276-I279 PolarHBondContact O-N 2.97Å; E276-E280 WeakPolarHBondContact O-CB 3.47Å; E276-E280 PolarHBondContact O-N 3.47Å |
| 277 | A | 96.5 | Very high | 94 | Very high | 43 Ų | 43 | 61 Ų | 61 | 36% | 0.355 | 32% | 0.323 | S | S | . | . | H | α-helix | trans | -65.5 | -34.2 | -179.7 | 0 | 0 | 0 | 0 | 0 | 112.8 | L273 S281 | L273-A277 HydrophobicContact CB-CB 3.75Å; L273-A277 HydrophobicContact CD1-CB 4.48Å; A277-S281 WeakPolarHBondContact O-CB 3.44Å; A277-S281 PolarHBondContact O-N 3.11Å; A277-S281 PolarHBondContact O-OG 3.02Å |
| 278 | A | 97.1 | Very high | 93.3 | Very high | 0 Ų | 0 | 62 Ų | 62 | 0% | 0 | 33% | 0.331 | C | S | . | . | H | α-helix | trans | -66.2 | -45.6 | 173.8 | 0 | 0 | 0 | 0 | 0 | 111.8 | F266 L269 L270 G274 T275 E276 S281 I282 | F266-A278 HydrophobicContact CD2-CB 4.44Å; F266-A278 HydrophobicContact CE2-CB 4.01Å; L269-A278 HydrophobicContact CB-CB 3.73Å; L270-A278 HydrophobicContact CD2-CB 3.84Å; L270-A278 HydrophobicContact CG-CB 4.12Å; G274-A278 WeakPolarHBondContact O-CB 3.46Å; G274-A278 PolarHBondContact O-N 3.14Å; G274-A278 VanDerWaalsContact O-N 3.07Å; T275-A278 PolarHBondContact O-N 3.24Å; E276-A278 VanDerWaalsContact C-N 3.33Å; E276-A278 PolarHBondContact O-N 3.02Å; A278-S281 WeakPolarHBondContact O-CB 3.3Å; A278-S281 PolarHBondContact O-N 2.87Å; A278-I282 PolarHBondContact O-N 3.13Å |
| 279 | I | 96.7 | Very high | 91.6 | Very high | 0 Ų | 0 | 61.1 Ų | 61.1 | 0% | 0 | 33% | 0.325 | C | S | . | . | H | α-helix | trans | -63.6 | -45.5 | 177.2 | -68.2 | 172.1 | 0 | 0 | 0 | 110.4 | T186 F190 M209 I223 W225 F266 T275 E276 S281 I282 I283 | T186-I279 HydrophobicContact CG2-CD1 4.18Å; F190-I279 HydrophobicContact CD2-CB 4.39Å; F190-I279 HydrophobicContact CD2-CG2 3.59Å; F190-I279 HydrophobicContact CE2-CB 3.73Å; F190-I279 HydrophobicContact CE2-CD1 4.4Å; F190-I279 HydrophobicContact CE2-CG2 3.42Å; F190-I279 VanDerWaalsContact CE2-CG2 3.42Å; F190-I279 HydrophobicContact CG-CG2 4.3Å; F190-I279 HydrophobicContact CZ-CB 4.17Å; F190-I279 HydrophobicContact CZ-CG2 4.03Å; M209-I279 HydrophobicContact CE-CG2 3.5Å; M209-I279 VanDerWaalsContact CE-CG2 3.5Å; I223-I279 HydrophobicContact CG2-CD1 4.25Å; I223-I279 HydrophobicContact CG2-CG1 4.49Å; W225-I279 HydrophobicContact CE3-CD1 4.37Å; W225-I279 HydrophobicContact CZ3-CD1 4.29Å; F266-I279 HydrophobicContact CE2-CG1 4.19Å; F266-I279 HydrophobicContact CZ-CG1 4.1Å; T275-I279 HydrophobicContact CG2-CD1 3.84Å; T275-I279 WeakPolarHBondContact O-CG1 3.39Å; T275-I279 PolarHBondContact O-N 3.42Å; E276-I279 PolarHBondContact O-N 2.97Å; I279-S281 PolarHBondContact O-N 3.21Å; I279-I282 PolarHBondContact O-N 2.87Å; I279-I282 VanDerWaalsContact O-N 3.1Å; I279-I283 HydrophobicContact CG2-CD1 3.83Å; I279-I283 HydrophobicContact CG2-CG1 4.36Å; I279-I283 WeakPolarHBondContact O-CG1 3.24Å; I279-I283 PolarHBondContact O-N 2.88Å |
| 280 | E | 96.6 | Very high | 89.5 | Confident | 32 Ų | 32 | 67.7 Ų | 67.7 | 15% | 0.15 | 35% | 0.354 | C | S | . | . | H | α-helix | trans | -60.1 | -37.2 | 178 | -175.3 | 164.3 | 169.5 | 0 | 0 | 111.8 | F190 K193 F194 E276 I282 I283 R284 | F190-E280 HydrophobicContact CE1-CB 3.79Å; F190-E280 HydrophobicContact CE1-CG 4.32Å; F190-E280 HydrophobicContact CZ-CB 3.99Å; K193-E280 IonicContact NZ-OE1 2.97Å; K193-E280 PolarHBondContact NZ-OE1 2.94Å; K193-E280 IonicContact NZ-OE2 3.1Å; K193-E280 PolarHBondContact NZ-OE2 2.73Å; F194-E280 HydrophobicContact CE2-CG 4.34Å; F194-E280 HydrophobicContact CZ-CG 4.32Å; E276-E280 WeakPolarHBondContact O-CB 3.47Å; E276-E280 PolarHBondContact O-N 3.47Å; E280-I282 VanDerWaalsContact C-N 3.32Å; E280-I282 PolarHBondContact O-N 3.43Å; E280-I283 PolarHBondContact O-N 3.21Å; E280-R284 HydrophobicContact CG-CG 4.33Å; E280-R284 WeakPolarHBondContact O-CB 3.43Å; E280-R284 WeakPolarHBondContact O-CG 3.43Å; E280-R284 PolarHBondContact O-N 3.14Å; E280-R284 IonicContact OE1-CZ 2.78Å; E280-R284 IonicContact OE1-NE 3.82Å; E280-R284 PolarHBondContact OE1-NE 3.22Å; E280-R284 VanDerWaalsContact OE1-NE 3.1Å; E280-R284 IonicContact OE1-NH2 3.25Å; E280-R284 PolarHBondContact OE1-NH2 3.38Å |
| 281 | S | 94.9 | Very high | 87.1 | Confident | 43 Ų | 43 | 70.4 Ų | 70.4 | 30% | 0.301 | 38% | 0.376 | S | S | . | . | H | α-helix | trans | -61.2 | -40.7 | 176.4 | -60.6 | 0 | 0 | 0 | 0 | 111.9 | A277 A278 I279 A285 | A277-S281 WeakPolarHBondContact O-CB 3.44Å; A277-S281 PolarHBondContact O-N 3.11Å; A277-S281 PolarHBondContact O-OG 3.02Å; A278-S281 WeakPolarHBondContact O-CB 3.3Å; A278-S281 PolarHBondContact O-N 2.87Å; I279-S281 PolarHBondContact O-N 3.21Å; S281-A285 WeakPolarHBondContact O-CB 3.48Å; S281-A285 PolarHBondContact O-N 2.87Å |
| 282 | I | 93.6 | Very high | 84.7 | Confident | 21 Ų | 21 | 64.8 Ų | 64.8 | 11% | 0.108 | 36% | 0.363 | C | S | . | . | H | α-helix | trans | -68 | -44.9 | 175 | -59.1 | -57.2 | 0 | 0 | 0 | 110.7 | L211 L241 F266 L269 A278 I279 E280 R284 A285 V286 | L211-I282 HydrophobicContact CD1-CB 4.47Å; L211-I282 HydrophobicContact CD1-CG2 3.7Å; L241-I282 HydrophobicContact CD1-CG2 4.15Å; L241-I282 HydrophobicContact CD2-CD1 4.06Å; L241-I282 HydrophobicContact CD2-CG1 4.39Å; L241-I282 HydrophobicContact CD2-CG2 4.46Å; F266-I282 HydrophobicContact CB-CD1 4.38Å; F266-I282 HydrophobicContact CD2-CD1 4.02Å; F266-I282 HydrophobicContact CD2-CG1 3.51Å; F266-I282 HydrophobicContact CE2-CG1 3.97Å; F266-I282 HydrophobicContact CG-CG1 4.4Å; L269-I282 HydrophobicContact CD1-CD1 4.37Å; A278-I282 PolarHBondContact O-N 3.13Å; I279-I282 PolarHBondContact O-N 2.87Å; I279-I282 VanDerWaalsContact O-N 3.1Å; E280-I282 VanDerWaalsContact C-N 3.32Å; E280-I282 PolarHBondContact O-N 3.43Å; I282-R284 VanDerWaalsContact C-N 3.3Å; I282-R284 PolarHBondContact O-N 3.02Å; I282-A285 PolarHBondContact O-N 3.43Å; I282-A285 VanDerWaalsContact O-N 3.14Å; I282-V286 HydrophobicContact CG2-CG2 4.32Å; I282-V286 WeakPolarHBondContact O-CG2 3.33Å; I282-V286 PolarHBondContact O-N 3.49Å |
| 283 | I | 94.3 | Very high | 82.2 | Confident | 0 Ų | 0 | 67 Ų | 67 | 0% | 0 | 37% | 0.37 | C | S | . | . | H | α-helix | trans | -57.1 | -47.4 | 178.1 | -66.9 | 168 | 0 | 0 | 0 | 110.1 | F190 F194 I197 V198 L211 I279 E280 A285 V286 S287 | F190-I283 HydrophobicContact CB-CD1 3.86Å; F190-I283 HydrophobicContact CD1-CD1 3.48Å; F190-I283 VanDerWaalsContact CD1-CD1 3.48Å; F190-I283 HydrophobicContact CD2-CD1 4.25Å; F190-I283 HydrophobicContact CE1-CD1 4.07Å; F190-I283 HydrophobicContact CG-CD1 3.6Å; F194-I283 HydrophobicContact CB-CG2 3.97Å; F194-I283 HydrophobicContact CD1-CG2 3.93Å; F194-I283 HydrophobicContact CD2-CD1 4.04Å; F194-I283 HydrophobicContact CD2-CG2 3.66Å; F194-I283 HydrophobicContact CE1-CG2 4.28Å; F194-I283 HydrophobicContact CE2-CD1 4.39Å; F194-I283 HydrophobicContact CE2-CG2 4.01Å; F194-I283 HydrophobicContact CG-CG2 3.6Å; F194-I283 HydrophobicContact CZ-CG2 4.3Å; I197-I283 HydrophobicContact CG2-CG2 4.3Å; V198-I283 HydrophobicContact CG2-CD1 3.83Å; V198-I283 HydrophobicContact CG2-CG1 4.23Å; L211-I283 HydrophobicContact CD1-CG1 4.11Å; L211-I283 HydrophobicContact CD2-CD1 4.41Å; L211-I283 HydrophobicContact CD2-CG1 3.85Å; I279-I283 HydrophobicContact CG2-CD1 3.83Å; I279-I283 HydrophobicContact CG2-CG1 4.36Å; I279-I283 WeakPolarHBondContact O-CG1 3.24Å; I279-I283 PolarHBondContact O-N 2.88Å; E280-I283 PolarHBondContact O-N 3.21Å; I283-A285 VanDerWaalsContact C-N 3.35Å; I283-A285 PolarHBondContact O-N 2.78Å; I283-V286 PolarHBondContact O-N 3.02Å; I283-S287 PolarHBondContact O-N 3.1Å; I283-S287 PolarHBondContact O-OG 2.72Å |
| 284 | R | 92.6 | Very high | 79.4 | Confident | 152 Ų | 152 | 70.8 Ų | 70.8 | 57% | 0.574 | 39% | 0.39 | S | S | * | . | H | α-helix | trans | -60.4 | -43.7 | 176.8 | -71.7 | 178.5 | -177.1 | -143.3 | 5.2 | 111.9 | E280 I282 V286 S287 L288 | E280-R284 HydrophobicContact CG-CG 4.33Å; E280-R284 WeakPolarHBondContact O-CB 3.43Å; E280-R284 WeakPolarHBondContact O-CG 3.43Å; E280-R284 PolarHBondContact O-N 3.14Å; E280-R284 IonicContact OE1-CZ 2.78Å; E280-R284 IonicContact OE1-NE 3.82Å; E280-R284 PolarHBondContact OE1-NE 3.22Å; E280-R284 VanDerWaalsContact OE1-NE 3.1Å; E280-R284 IonicContact OE1-NH2 3.25Å; E280-R284 PolarHBondContact OE1-NH2 3.38Å; I282-R284 VanDerWaalsContact C-N 3.3Å; I282-R284 PolarHBondContact O-N 3.02Å; R284-V286 VanDerWaalsContact C-N 3.3Å; R284-V286 PolarHBondContact O-N 2.9Å; R284-S287 PolarHBondContact O-N 3.45Å; R284-S287 VanDerWaalsContact O-N 3.12Å; R284-L288 WeakPolarHBondContact O-CG 3.48Å; R284-L288 PolarHBondContact O-N 3.12Å |
| 285 | A | 89.4 | Confident | 76.8 | Confident | 60 Ų | 60 | 73.4 Ų | 73.4 | 50% | 0.496 | 40% | 0.404 | S | S | . | . | H | α-helix | trans | -62.6 | -36.8 | 177.2 | 0 | 0 | 0 | 0 | 0 | 112.6 | S281 I282 I283 S287 | S281-A285 WeakPolarHBondContact O-CB 3.48Å; S281-A285 PolarHBondContact O-N 2.87Å; I282-A285 PolarHBondContact O-N 3.43Å; I282-A285 VanDerWaalsContact O-N 3.14Å; I283-A285 VanDerWaalsContact C-N 3.35Å; I283-A285 PolarHBondContact O-N 2.78Å; A285-S287 VanDerWaalsContact C-N 3.34Å |
| 286 | V | 88 | Confident | 73.9 | Confident | 18 Ų | 18 | 82.5 Ų | 82.5 | 11% | 0.109 | 45% | 0.451 | C | S | . | . | H | α-helix | trans | -68.9 | -34.2 | 174.1 | 173.3 | 0 | 0 | 0 | 0 | 111.1 | I197 H213 F221 I282 I283 R284 L288 | I197-V286 HydrophobicContact CG2-CB 4.37Å; I197-V286 HydrophobicContact CG2-CG1 3.83Å; H213-V286 HydrophobicContact CB-CG1 4.21Å; H213-V286 PolarHBondContact CD2-O 2.94Å; F221-V286 HydrophobicContact CD2-CG2 3.67Å; F221-V286 HydrophobicContact CE2-CG2 3.97Å; I282-V286 HydrophobicContact CG2-CG2 4.32Å; I282-V286 WeakPolarHBondContact O-CG2 3.33Å; I282-V286 PolarHBondContact O-N 3.49Å; I283-V286 PolarHBondContact O-N 3.02Å; R284-V286 VanDerWaalsContact C-N 3.3Å; R284-V286 PolarHBondContact O-N 2.9Å; V286-L288 VanDerWaalsContact C-N 3.33Å; V286-L288 PolarHBondContact O-N 2.97Å |
| 287 | S | 84.9 | Confident | 72.8 | Confident | 46 Ų | 46 | 81.1 Ų | 81.1 | 32% | 0.322 | 45% | 0.447 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -77.5 | -8.7 | 180 | -57.5 | 0 | 0 | 0 | 0 | 115.2 | I197 I283 R284 A285 S289 | I197-S287 WeakPolarHBondContact CG1-OG 3.47Å; I283-S287 PolarHBondContact O-N 3.1Å; I283-S287 PolarHBondContact O-OG 2.72Å; R284-S287 PolarHBondContact O-N 3.45Å; R284-S287 VanDerWaalsContact O-N 3.12Å; A285-S287 VanDerWaalsContact C-N 3.34Å; S287-S289 PolarHBondContact O-N 3.35Å |
| 288 | L | 79.2 | Confident | 71.6 | Confident | 114 Ų | 114 | 83.1 Ų | 83.1 | 60% | 0.597 | 45% | 0.452 | S | S | * | . | trans | -67.1 | 123 | -178.2 | -74.2 | 169.4 | 0 | 0 | 0 | 110.3 | R284 V286 | R284-L288 WeakPolarHBondContact O-CG 3.48Å; R284-L288 PolarHBondContact O-N 3.12Å; V286-L288 VanDerWaalsContact C-N 3.33Å; V286-L288 PolarHBondContact O-N 2.97Å | ||
| 289 | S | 58 | Low | 70.2 | Confident | 46 Ų | 46 | 87.7 Ų | 87.7 | 32% | 0.322 | 48% | 0.477 | S | S | . | . | trans | -99.9 | 150.6 | 166 | 76.9 | 0 | 0 | 0 | 0 | 109.5 | S287 S291 D292 | S287-S289 PolarHBondContact O-N 3.35Å; S289-S291 PolarHBondContact O-N 2.87Å; S289-S291 PolarHBondContact OG-OG 3Å; S289-D292 PolarHBondContact O-N 3.31Å | ||
| 290 | E | 50.9 | Low | 68.6 | Low | 185 Ų | 185 | 92.9 Ų | 92.9 | 86% | 0.864 | 51% | 0.505 | S | S | * | . | G | 310 helix | trans | -55.6 | -11.4 | 178.2 | -75.9 | -177.8 | 156.8 | 0 | 0 | 114 | D292 | E290-D292 VanDerWaalsContact C-N 3.31Å; E290-D292 PolarHBondContact O-N 3.37Å |
| 291 | S | 43.4 | Very low | 66.9 | Low | 85 Ų | 85 | 96.7 Ų | 96.7 | 59% | 0.594 | 53% | 0.528 | S | S | * | . | G | 310 helix | trans | -67.7 | -23 | -178.9 | -33.3 | 0 | 0 | 0 | 0 | 114.7 | S289 | S289-S291 PolarHBondContact O-N 2.87Å; S289-S291 PolarHBondContact OG-OG 3Å |
| 292 | D | 45.7 | Very low | 65 | Low | 110 Ų | 110 | 100.3 Ų | 100.3 | 59% | 0.588 | 54% | 0.543 | S | S | * | . | G | 310 helix | trans | -88.2 | -5.9 | -174.4 | -77.1 | -21.4 | 0 | 0 | 0 | 113.8 | S289 E290 | S289-D292 PolarHBondContact O-N 3.31Å; E290-D292 VanDerWaalsContact C-N 3.31Å; E290-D292 PolarHBondContact O-N 3.37Å |
| 293 | E | 43.3 | Very low | 62.9 | Low | 179 Ų | 179 | 105.9 Ų | 105.9 | 84% | 0.836 | 57% | 0.574 | S | S | * | * | G | 310 helix | trans | -90 | -6.8 | 178 | -68.6 | -163.6 | 162.9 | 0 | 0 | 114.1 | ||
| 294 | L | 37.2 | Very low | 60.5 | Low | 165 Ų | 165 | 114.1 Ų | 114.1 | 86% | 0.864 | 62% | 0.618 | S | S | * | * | S | Bend | trans | -103 | 11.3 | -178 | -74.8 | 169 | 0 | 0 | 0 | 114.7 | ||
| 295 | S | 39.1 | Very low | 57.9 | Low | 84 Ų | 84 | 110.9 Ų | 110.9 | 59% | 0.587 | 62% | 0.622 | S | S | * | * | trans | -121.4 | 55.6 | 177.4 | 49.8 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 296 | N | 35.4 | Very low | 55 | Low | 239 Ų | 239 | 115.5 Ų | 115.5 | 100% | 1.278 | 63% | 0.633 | S | S | * | * | trans | -146.6 | 0 | 154.4 | -91 | -36.9 | 0 | 0 | 0 | 111 |
Retrieved 296 of 296 residues in 164 ms
(Link to these results)