| 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 | 60.9 | Low | 72.8 | Confident | 203 Ų | 203 | 114.7 Ų | 114.7 | 100% | 1 | 62% | 0.62 | S | S | * | * | 0 | -18.4 | 0 | -88.1 | 151.9 | 70.3 | 0 | 0 | 112.5 | K3 I4 | M1-K3 PolarHBondContact O-N 3.1Å; M1-I4 PolarHBondContact O-N 2.8Å | |||
| 2 | D | 64 | Low | 73.9 | Confident | 135 Ų | 135 | 113.6 Ų | 113.6 | 72% | 0.722 | 61% | 0.612 | S | S | * | * | H | α-helix | trans | -70.4 | -32.3 | -170.3 | -45.1 | -64.9 | 0 | 0 | 0 | 115 | I4 L5 G6 | D2-I4 VanDerWaalsContact C-N 3.35Å; D2-I4 PolarHBondContact O-N 3.14Å; D2-L5 PolarHBondContact O-N 2.94Å; D2-G6 PolarHBondContact O-N 2.72Å |
| 3 | K | 64.7 | Low | 75 | Confident | 196 Ų | 196 | 117.8 Ų | 117.8 | 85% | 0.852 | 61% | 0.614 | S | S | * | * | H | α-helix | trans | -64.9 | -36.9 | 179.3 | -68.3 | -175.9 | 177.6 | 178.5 | 0 | 113 | M1 A7 | M1-K3 PolarHBondContact O-N 3.1Å; K3-A7 PolarHBondContact O-N 2.93Å; K3-A7 VanDerWaalsContact O-N 3.16Å |
| 4 | I | 66.6 | Low | 75.9 | Confident | 136 Ų | 136 | 118 Ų | 118 | 70% | 0.697 | 62% | 0.615 | S | S | * | * | H | α-helix | trans | -69.6 | -39.3 | 179.4 | -60.4 | 173.5 | 0 | 0 | 0 | 109.6 | M1 D2 A7 S8 | M1-I4 PolarHBondContact O-N 2.8Å; D2-I4 VanDerWaalsContact C-N 3.35Å; D2-I4 PolarHBondContact O-N 3.14Å; I4-A7 PolarHBondContact O-N 3.03Å; I4-S8 PolarHBondContact O-N 2.85Å |
| 5 | L | 68 | Low | 76.6 | Confident | 106 Ų | 106 | 117.9 Ų | 117.9 | 56% | 0.555 | 61% | 0.611 | S | S | * | * | H | α-helix | trans | -65.9 | -44.5 | 178.3 | -159.2 | 73.1 | 0 | 0 | 0 | 111.5 | D2 A7 S8 F9 | D2-L5 PolarHBondContact O-N 2.94Å; L5-A7 PolarHBondContact O-N 2.73Å; L5-S8 WeakPolarHBondContact O-CB 3.18Å; L5-S8 PolarHBondContact O-N 2.96Å; L5-F9 HydrophobicContact CD1-CE2 4.4Å; L5-F9 HydrophobicContact CD2-CE2 4.15Å; L5-F9 HydrophobicContact CG-CD2 4.2Å; L5-F9 HydrophobicContact CG-CE2 3.83Å; L5-F9 VanDerWaalsContact O-CD2 3.23Å; L5-F9 WeakPolarHBondContact O-CD2 3.45Å; L5-F9 PolarHBondContact O-N 2.89Å |
| 6 | G | 71.9 | Confident | 76.9 | Confident | 36 Ų | 36 | 116.9 Ų | 116.9 | 37% | 0.371 | 61% | 0.606 | S | S | . | * | H | α-helix | trans | -61.2 | -42.2 | 176.3 | 0 | 0 | 0 | 0 | 0 | 113.5 | D2 F9 L10 | D2-G6 PolarHBondContact O-N 2.72Å; G6-F9 PolarHBondContact O-N 2.69Å; G6-L10 PolarHBondContact O-N 3.26Å; G6-L10 VanDerWaalsContact O-N 3.16Å |
| 7 | A | 76.6 | Confident | 77.4 | Confident | 53 Ų | 53 | 114.5 Ų | 114.5 | 44% | 0.438 | 60% | 0.601 | S | S | . | * | H | α-helix | trans | -63.5 | -40.8 | 174.9 | 0 | 0 | 0 | 0 | 0 | 112 | K3 I4 L5 F9 L10 V11 | K3-A7 PolarHBondContact O-N 2.93Å; K3-A7 VanDerWaalsContact O-N 3.16Å; I4-A7 PolarHBondContact O-N 3.03Å; L5-A7 PolarHBondContact O-N 2.73Å; A7-F9 PolarHBondContact O-N 2.89Å; A7-L10 PolarHBondContact O-N 3.35Å; A7-V11 WeakPolarHBondContact O-CG2 3.38Å; A7-V11 PolarHBondContact O-N 3.27Å; A7-V11 VanDerWaalsContact O-N 3.08Å |
| 8 | S | 77.2 | Confident | 77.7 | Confident | 74 Ų | 74 | 117.7 Ų | 117.7 | 52% | 0.517 | 60% | 0.603 | S | S | . | * | H | α-helix | trans | -61.1 | -42.3 | 176.6 | -172.7 | 0 | 0 | 0 | 0 | 112.2 | I4 L5 L12 | I4-S8 PolarHBondContact O-N 2.85Å; L5-S8 WeakPolarHBondContact O-CB 3.18Å; L5-S8 PolarHBondContact O-N 2.96Å; S8-L12 WeakPolarHBondContact O-CB 3.46Å; S8-L12 PolarHBondContact O-N 2.89Å; S8-L12 VanDerWaalsContact O-N 3.1Å |
| 9 | F | 80.8 | Confident | 77.8 | Confident | 117 Ų | 117 | 115.6 Ų | 115.6 | 51% | 0.513 | 60% | 0.596 | S | S | . | * | H | α-helix | trans | -62.7 | -46.8 | 175.9 | -81.7 | -71 | 0 | 0 | 0 | 111.4 | L5 G6 A7 V11 L12 W13 | L5-F9 HydrophobicContact CD1-CE2 4.4Å; L5-F9 HydrophobicContact CD2-CE2 4.15Å; L5-F9 HydrophobicContact CG-CD2 4.2Å; L5-F9 HydrophobicContact CG-CE2 3.83Å; L5-F9 VanDerWaalsContact O-CD2 3.23Å; L5-F9 WeakPolarHBondContact O-CD2 3.45Å; L5-F9 PolarHBondContact O-N 2.89Å; G6-F9 PolarHBondContact O-N 2.69Å; A7-F9 PolarHBondContact O-N 2.89Å; F9-V11 VanDerWaalsContact C-N 3.35Å; F9-V11 PolarHBondContact O-N 3.04Å; F9-L12 PolarHBondContact O-N 3.28Å; F9-W13 PolarHBondContact O-N 2.86Å |
| 10 | L | 83.9 | Confident | 77.8 | Confident | 119 Ų | 119 | 113.3 Ų | 113.3 | 62% | 0.623 | 59% | 0.591 | S | S | * | * | H | α-helix | trans | -59.4 | -42.7 | 179.6 | -72.4 | 171.1 | 0 | 0 | 0 | 113 | G6 A7 W13 L14 | G6-L10 PolarHBondContact O-N 3.26Å; G6-L10 VanDerWaalsContact O-N 3.16Å; A7-L10 PolarHBondContact O-N 3.35Å; L10-W13 PolarHBondContact O-N 2.8Å; L10-L14 WeakPolarHBondContact O-CG 3.3Å; L10-L14 PolarHBondContact O-N 3.46Å |
| 11 | V | 86.3 | Confident | 77.5 | Confident | 87 Ų | 87 | 109.8 Ų | 109.8 | 53% | 0.527 | 58% | 0.582 | S | S | . | * | H | α-helix | trans | -63.6 | -44.2 | 176.9 | 174.8 | 0 | 0 | 0 | 0 | 110.6 | A7 F9 W13 L14 Q15 | A7-V11 WeakPolarHBondContact O-CG2 3.38Å; A7-V11 PolarHBondContact O-N 3.27Å; A7-V11 VanDerWaalsContact O-N 3.08Å; F9-V11 VanDerWaalsContact C-N 3.35Å; F9-V11 PolarHBondContact O-N 3.04Å; V11-W13 PolarHBondContact O-N 2.83Å; V11-L14 PolarHBondContact O-N 3.44Å; V11-Q15 VanDerWaalsContact O-CG 3.28Å; V11-Q15 WeakPolarHBondContact O-CG 3.34Å; V11-Q15 PolarHBondContact O-N 3.38Å |
| 12 | L | 85.9 | Confident | 77.9 | Confident | 101 Ų | 101 | 105.5 Ų | 105.5 | 53% | 0.529 | 56% | 0.56 | S | S | . | * | H | α-helix | trans | -62.6 | -41.9 | 177.5 | -160.9 | 85 | 0 | 0 | 0 | 111.9 | S8 F9 Q15 L16 | S8-L12 WeakPolarHBondContact O-CB 3.46Å; S8-L12 PolarHBondContact O-N 2.89Å; S8-L12 VanDerWaalsContact O-N 3.1Å; F9-L12 PolarHBondContact O-N 3.28Å; L12-Q15 PolarHBondContact O-N 2.81Å; L12-L16 HydrophobicContact CD2-CD1 4.36Å; L12-L16 HydrophobicContact CG-CD1 4.3Å; L12-L16 WeakPolarHBondContact O-CG 3.34Å; L12-L16 PolarHBondContact O-N 2.83Å |
| 13 | W | 87.8 | Confident | 77.9 | Confident | 168 Ų | 168 | 105.9 Ų | 105.9 | 64% | 0.636 | 56% | 0.557 | S | S | * | * | H | α-helix | trans | -61.9 | -44.8 | 175.8 | -87 | 98.4 | 0 | 0 | 0 | 112.2 | F9 L10 V11 Q15 L16 C17 | F9-W13 PolarHBondContact O-N 2.86Å; L10-W13 PolarHBondContact O-N 2.8Å; V11-W13 PolarHBondContact O-N 2.83Å; W13-Q15 VanDerWaalsContact C-N 3.33Å; W13-Q15 PolarHBondContact O-N 3.42Å; W13-L16 PolarHBondContact O-N 2.86Å; W13-C17 WeakPolarHBondContact O-CB 3.38Å; W13-C17 PolarHBondContact O-N 2.91Å; W13-C17 PolarHBondContact O-SG 2.79Å; W13-C17 VanDerWaalsContact O-SG 3.32Å |
| 14 | L | 88.3 | Confident | 77.9 | Confident | 121 Ų | 121 | 103.4 Ų | 103.4 | 63% | 0.634 | 55% | 0.546 | S | S | * | . | H | α-helix | trans | -61.3 | -41.4 | 176.2 | -74.7 | 164.9 | 0 | 0 | 0 | 111.8 | L10 V11 C17 W18 | L10-L14 WeakPolarHBondContact O-CG 3.3Å; L10-L14 PolarHBondContact O-N 3.46Å; V11-L14 PolarHBondContact O-N 3.44Å; L14-C17 PolarHBondContact O-N 3.02Å; L14-W18 WeakPolarHBondContact O-CB 3.39Å; L14-W18 PolarHBondContact O-N 3.43Å |
| 15 | Q | 85.3 | Confident | 77.6 | Confident | 117 Ų | 117 | 102.3 Ų | 102.3 | 55% | 0.547 | 54% | 0.539 | S | S | . | . | H | α-helix | trans | -65.1 | -44.1 | 176.4 | -68.7 | -69.3 | -43.8 | 0 | 0 | 111.9 | V11 L12 W13 W18 V19 | V11-Q15 VanDerWaalsContact O-CG 3.28Å; V11-Q15 WeakPolarHBondContact O-CG 3.34Å; V11-Q15 PolarHBondContact O-N 3.38Å; L12-Q15 PolarHBondContact O-N 2.81Å; W13-Q15 VanDerWaalsContact C-N 3.33Å; W13-Q15 PolarHBondContact O-N 3.42Å; Q15-W18 PolarHBondContact O-N 2.93Å; Q15-V19 VanDerWaalsContact O-CG2 3.31Å; Q15-V19 WeakPolarHBondContact O-CG2 3.38Å; Q15-V19 PolarHBondContact O-N 3.45Å |
| 16 | L | 82.6 | Confident | 77.2 | Confident | 102 Ų | 102 | 105.1 Ų | 105.1 | 53% | 0.534 | 55% | 0.546 | S | S | . | . | H | α-helix | trans | -63.5 | -42.3 | 176.7 | -73 | 166.3 | 0 | 0 | 0 | 112 | L12 W13 S20 | L12-L16 HydrophobicContact CD2-CD1 4.36Å; L12-L16 HydrophobicContact CG-CD1 4.3Å; L12-L16 WeakPolarHBondContact O-CG 3.34Å; L12-L16 PolarHBondContact O-N 2.83Å; W13-L16 PolarHBondContact O-N 2.86Å; L16-S20 WeakPolarHBondContact O-CB 3.38Å; L16-S20 PolarHBondContact O-N 2.83Å; L16-S20 PolarHBondContact O-OG 3Å |
| 17 | C | 84.3 | Confident | 76.7 | Confident | 76 Ų | 76 | 106.6 Ų | 106.6 | 51% | 0.514 | 55% | 0.551 | S | S | . | * | H | α-helix | trans | -62.7 | -41.2 | 174.3 | -72.7 | 0 | 0 | 0 | 0 | 112.3 | W13 L14 S20 G21 | W13-C17 WeakPolarHBondContact O-CB 3.38Å; W13-C17 PolarHBondContact O-N 2.91Å; W13-C17 PolarHBondContact O-SG 2.79Å; W13-C17 VanDerWaalsContact O-SG 3.32Å; L14-C17 PolarHBondContact O-N 3.02Å; C17-S20 WeakPolarHBondContact CA-OG 3.32Å; C17-S20 PolarHBondContact O-OG 3.27Å; C17-G21 PolarHBondContact O-N 2.87Å; C17-G21 VanDerWaalsContact O-N 3.07Å |
| 18 | W | 83.4 | Confident | 75.9 | Confident | 171 Ų | 171 | 108.9 Ų | 108.9 | 65% | 0.648 | 56% | 0.555 | S | S | * | * | H | α-helix | trans | -63 | -51 | 176.7 | -174.7 | -80.9 | 0 | 0 | 0 | 111.8 | L14 Q15 S20 G21 Q22 | L14-W18 WeakPolarHBondContact O-CB 3.39Å; L14-W18 PolarHBondContact O-N 3.43Å; Q15-W18 PolarHBondContact O-N 2.93Å; W18-S20 PolarHBondContact O-N 3.34Å; W18-G21 PolarHBondContact O-N 2.87Å; W18-Q22 PolarHBondContact O-N 2.97Å; W18-Q22 VanDerWaalsContact O-N 3.15Å |
| 19 | V | 79.8 | Confident | 75.5 | Confident | 78 Ų | 78 | 111.4 Ų | 111.4 | 47% | 0.473 | 56% | 0.559 | S | S | . | * | H | α-helix | trans | -62 | -43.3 | -178.4 | 172.4 | 0 | 0 | 0 | 0 | 111.4 | Q15 Q22 Q23 | Q15-V19 VanDerWaalsContact O-CG2 3.31Å; Q15-V19 WeakPolarHBondContact O-CG2 3.38Å; Q15-V19 PolarHBondContact O-N 3.45Å; V19-Q22 PolarHBondContact O-N 2.8Å; V19-Q23 PolarHBondContact O-N 3.44Å; V19-Q23 VanDerWaalsContact O-N 3.14Å |
| 20 | S | 77.1 | Confident | 75.2 | Confident | 69 Ų | 69 | 110.7 Ų | 110.7 | 48% | 0.483 | 56% | 0.557 | S | S | . | * | H | α-helix | trans | -65.2 | -37.8 | 177.9 | 53.1 | 0 | 0 | 0 | 0 | 113 | L16 C17 W18 Q23 K24 | L16-S20 WeakPolarHBondContact O-CB 3.38Å; L16-S20 PolarHBondContact O-N 2.83Å; L16-S20 PolarHBondContact O-OG 3Å; C17-S20 WeakPolarHBondContact CA-OG 3.32Å; C17-S20 PolarHBondContact O-OG 3.27Å; W18-S20 PolarHBondContact O-N 3.34Å; S20-Q23 PolarHBondContact O-N 2.79Å; S20-K24 PolarHBondContact O-N 3.05Å |
| 21 | G | 71.9 | Confident | 75.5 | Confident | 40 Ų | 40 | 109.1 Ų | 109.1 | 41% | 0.412 | 55% | 0.547 | S | S | . | . | H | α-helix | trans | -60.3 | -47.1 | 174.4 | 0 | 0 | 0 | 0 | 0 | 112.6 | C17 W18 Q23 K24 E25 | C17-G21 PolarHBondContact O-N 2.87Å; C17-G21 VanDerWaalsContact O-N 3.07Å; W18-G21 PolarHBondContact O-N 2.87Å; G21-Q23 VanDerWaalsContact C-N 3.35Å; G21-Q23 PolarHBondContact O-N 2.91Å; G21-K24 PolarHBondContact O-N 3.19Å; G21-E25 PolarHBondContact O-N 3Å; G21-E25 VanDerWaalsContact O-N 3.16Å |
| 22 | Q | 69.7 | Low | 75.9 | Confident | 113 Ų | 113 | 106.2 Ų | 106.2 | 53% | 0.528 | 53% | 0.529 | S | S | . | . | H | α-helix | trans | -64.2 | -37.8 | 179.2 | -66.6 | -166.1 | -72.9 | 0 | 0 | 112.8 | W18 V19 K24 K26 | W18-Q22 PolarHBondContact O-N 2.97Å; W18-Q22 VanDerWaalsContact O-N 3.15Å; V19-Q22 PolarHBondContact O-N 2.8Å; Q22-K24 VanDerWaalsContact C-N 3.35Å; Q22-K26 PolarHBondContact O-N 2.76Å |
| 23 | Q | 64.4 | Low | 76.4 | Confident | 144 Ų | 144 | 105.6 Ų | 105.6 | 67% | 0.673 | 52% | 0.522 | S | S | * | . | H | α-helix | trans | -68.7 | -35.8 | 180 | -165.8 | 174.6 | -29.1 | 0 | 0 | 112 | V19 S20 G21 S27 | V19-Q23 PolarHBondContact O-N 3.44Å; V19-Q23 VanDerWaalsContact O-N 3.14Å; S20-Q23 PolarHBondContact O-N 2.79Å; G21-Q23 VanDerWaalsContact C-N 3.35Å; G21-Q23 PolarHBondContact O-N 2.91Å; Q23-S27 PolarHBondContact O-N 2.84Å |
| 24 | K | 63.2 | Low | 76.9 | Confident | 143 Ų | 143 | 100.6 Ų | 100.6 | 62% | 0.622 | 51% | 0.506 | S | S | * | . | H | α-helix | trans | -66.7 | -47.4 | 176.4 | -173.3 | 171.5 | -178.3 | 177.8 | 0 | 111.7 | S20 G21 Q22 K26 S27 D28 | S20-K24 PolarHBondContact O-N 3.05Å; G21-K24 PolarHBondContact O-N 3.19Å; Q22-K24 VanDerWaalsContact C-N 3.35Å; K24-K26 VanDerWaalsContact C-N 3.31Å; K24-K26 PolarHBondContact O-N 2.93Å; K24-S27 PolarHBondContact O-N 2.92Å; K24-D28 PolarHBondContact O-N 2.8Å |
| 25 | E | 61.7 | Low | 77.3 | Confident | 114 Ų | 114 | 97.9 Ų | 97.9 | 53% | 0.533 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -58.9 | -42.3 | 178.8 | -170.4 | 179.4 | 178.5 | 0 | 0 | 112.1 | G21 S27 D28 Q29 | G21-E25 PolarHBondContact O-N 3Å; G21-E25 VanDerWaalsContact O-N 3.16Å; E25-S27 VanDerWaalsContact C-N 3.34Å; E25-S27 PolarHBondContact O-N 2.85Å; E25-D28 PolarHBondContact O-N 3.07Å; E25-Q29 HydrophobicContact CG-CG 4.48Å; E25-Q29 WeakPolarHBondContact O-CB 3.33Å; E25-Q29 VanDerWaalsContact O-CG 3.31Å; E25-Q29 WeakPolarHBondContact O-CG 3.46Å; E25-Q29 PolarHBondContact O-N 2.81Å; E25-Q29 PolarHBondContact OE1-NE2 3.49Å |
| 26 | K | 59.4 | Low | 77.8 | Confident | 165 Ų | 165 | 94.8 Ų | 94.8 | 72% | 0.717 | 49% | 0.487 | S | S | * | . | H | α-helix | trans | -64 | -37.5 | 178.7 | -171 | 175.7 | -177.4 | 178.5 | 0 | 113.1 | Q22 K24 | Q22-K26 PolarHBondContact O-N 2.76Å; K24-K26 VanDerWaalsContact C-N 3.31Å; K24-K26 PolarHBondContact O-N 2.93Å |
| 27 | S | 60.3 | Low | 78.5 | Confident | 66 Ų | 66 | 99.3 Ų | 99.3 | 46% | 0.462 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -69.5 | -40 | 176.5 | -179.9 | 0 | 0 | 0 | 0 | 111.6 | Q23 K24 E25 Q29 Q30 | Q23-S27 PolarHBondContact O-N 2.84Å; K24-S27 PolarHBondContact O-N 2.92Å; E25-S27 VanDerWaalsContact C-N 3.34Å; E25-S27 PolarHBondContact O-N 2.85Å; S27-Q29 VanDerWaalsContact C-N 3.32Å; S27-Q30 PolarHBondContact O-N 2.87Å |
| 28 | D | 60.6 | Low | 79.1 | Confident | 101 Ų | 101 | 100.4 Ų | 100.4 | 54% | 0.54 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -74.2 | -23.2 | -179.1 | -68 | -15.7 | 0 | 0 | 0 | 112.3 | K24 E25 | K24-D28 PolarHBondContact O-N 2.8Å; E25-D28 PolarHBondContact O-N 3.07Å |
| 29 | Q | 67.9 | Low | 79.7 | Confident | 127 Ų | 127 | 96 Ų | 96 | 59% | 0.593 | 50% | 0.503 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -80.1 | -14.1 | 174.7 | -75 | -178.1 | -1.3 | 0 | 0 | 114.1 | E25 S27 Q31 | E25-Q29 HydrophobicContact CG-CG 4.48Å; E25-Q29 WeakPolarHBondContact O-CB 3.33Å; E25-Q29 VanDerWaalsContact O-CG 3.31Å; E25-Q29 WeakPolarHBondContact O-CG 3.46Å; E25-Q29 PolarHBondContact O-N 2.81Å; E25-Q29 PolarHBondContact OE1-NE2 3.49Å; S27-Q29 VanDerWaalsContact C-N 3.32Å; Q29-Q31 PolarHBondContact O-N 2.82Å |
| 30 | Q | 75.4 | Confident | 80.6 | Confident | 102 Ų | 102 | 99.5 Ų | 99.5 | 48% | 0.477 | 52% | 0.517 | S | S | . | . | trans | -78.6 | 92.6 | -177.1 | -174.5 | 171.4 | -15.8 | 0 | 0 | 111.4 | S27 V32 K33 | S27-Q30 PolarHBondContact O-N 2.87Å; Q30-V32 WeakPolarHBondContact CG-O 3.27Å; Q30-V32 PolarHBondContact NE2-O 3.46Å; Q30-V32 PolarHBondContact O-N 3.06Å; Q30-K33 HydrophobicContact CG-CG 4.33Å | ||
| 31 | Q | 89.8 | Confident | 81.5 | Confident | 86 Ų | 86 | 98.5 Ų | 98.5 | 40% | 0.402 | 51% | 0.508 | S | S | . | . | trans | -73 | -7.8 | -179 | -60.5 | -166.6 | -6.3 | 0 | 0 | 114.8 | Q29 Y53 E54 N55 F58 | Q29-Q31 PolarHBondContact O-N 2.82Å; Q31-Y53 CarbonylContact O-C 3.55Å; Q31-Y53 WeakPolarHBondContact O-CA 3.32Å; Q31-E54 PolarHBondContact O-N 3.46Å; Q31-N55 PolarHBondContact OE1-ND2 1.99Å; Q31-F58 HydrophobicContact CB-CE2 4.12Å; Q31-F58 HydrophobicContact CB-CZ 4.33Å | ||
| 32 | V | 95.3 | Very high | 82.7 | Confident | 27 Ų | 27 | 104 Ų | 104 | 16% | 0.164 | 52% | 0.523 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.5 | 122.3 | 177.7 | -176 | 0 | 0 | 0 | 0 | 110.3 | Q30 C51 A52 F58 C118 A120 | Q30-V32 WeakPolarHBondContact CG-O 3.27Å; Q30-V32 PolarHBondContact NE2-O 3.46Å; Q30-V32 PolarHBondContact O-N 3.06Å; V32-C51 HydrophobicContact CG1-CB 4.43Å; V32-A52 CarbonylContact C-O 3.51Å; V32-A52 VanDerWaalsContact CA-O 3.29Å; V32-A52 WeakPolarHBondContact CA-O 3.26Å; V32-F58 HydrophobicContact CG2-CE2 4.34Å; V32-C118 VanDerWaalsContact CG1-SG 3.6Å; V32-A120 HydrophobicContact CG2-CB 3.69Å |
| 33 | K | 96.3 | Very high | 84 | Confident | 87 Ų | 87 | 106.4 Ų | 106.4 | 38% | 0.378 | 53% | 0.532 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.1 | 120.3 | -176.7 | -67.2 | 171.3 | -179.3 | 153.5 | 0 | 110 | Q30 C51 A52 E54 | Q30-K33 HydrophobicContact CG-CG 4.33Å; K33-C51 CarbonylContact O-C 3.52Å; K33-C51 VanDerWaalsContact O-CA 3.31Å; K33-C51 WeakPolarHBondContact O-CA 3.38Å; K33-A52 PolarHBondContact N-O 2.87Å; K33-A52 PolarHBondContact O-N 3.05Å; K33-E54 IonicContact NZ-OE1 2.76Å; K33-E54 PolarHBondContact NZ-OE1 3.48Å |
| 34 | Q | 97.2 | Very high | 85.6 | Confident | 64 Ų | 64 | 101.5 Ų | 101.5 | 30% | 0.299 | 52% | 0.52 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.1 | 140.9 | -179.3 | -173.9 | 171.9 | -66.5 | 0 | 0 | 111.7 | I49 N50 Y116 C118 | Q34-I49 HydrophobicContact CG-CG2 3.72Å; Q34-N50 CarbonylContact C-O 3.59Å; Q34-N50 WeakPolarHBondContact CA-O 3.38Å; Q34-Y116 PolarHBondContact NE2-O 3.48Å; Q34-Y116 PolarHBondContact OE1-O 3.31Å; Q34-C118 PolarHBondContact OE1-SG 3.46Å |
| 35 | S | 97 | Very high | 87.3 | Confident | 64 Ų | 64 | 95.8 Ų | 95.8 | 45% | 0.448 | 50% | 0.502 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -148.3 | 146.8 | 174.7 | 64.1 | 0 | 0 | 0 | 0 | 112.4 | N50 | S35-N50 PolarHBondContact N-O 2.87Å; S35-N50 PolarHBondContact O-N 2.94Å |
| 36 | P | 97.4 | Very high | 89 | Confident | 52 Ų | 52 | 94.7 Ų | 94.7 | 34% | 0.338 | 50% | 0.499 | S | S | . | . | cis | -72.1 | 165.5 | -9.8 | 34.1 | -36.4 | 0 | 0 | 0 | 111.8 | S38 L39 | P36-S38 VanDerWaalsContact C-N 3.33Å; P36-S38 WeakPolarHBondContact CB-O 3.19Å; P36-L39 HydrophobicContact CG-CB 4.11Å; P36-L39 HydrophobicContact CG-CD1 4.17Å | ||
| 37 | Q | 95.9 | Very high | 90.8 | Very high | 197 Ų | 197 | 87.6 Ų | 87.6 | 92% | 0.921 | 47% | 0.469 | S | S | * | . | S | Bend | trans | -72 | -28.7 | 176.3 | -68.7 | -178.6 | 6.9 | 0 | 0 | 112.8 | ||
| 38 | S | 96.9 | Very high | 92.6 | Very high | 98 Ų | 98 | 87.7 Ų | 87.7 | 69% | 0.685 | 46% | 0.464 | S | S | * | . | trans | -142.3 | 145 | 175.3 | -179 | 0 | 0 | 0 | 0 | 108.6 | P36 | P36-S38 VanDerWaalsContact C-N 3.33Å; P36-S38 WeakPolarHBondContact CB-O 3.19Å | ||
| 39 | L | 97.1 | Very high | 94.4 | Very high | 79 Ų | 79 | 83.6 Ų | 83.6 | 41% | 0.414 | 44% | 0.442 | S | S | . | . | trans | -139.3 | 129.3 | -179.1 | -175.8 | 68.8 | 0 | 0 | 0 | 108.5 | P36 V41 | P36-L39 HydrophobicContact CG-CB 4.11Å; P36-L39 HydrophobicContact CG-CD1 4.17Å; L39-V41 HydrophobicContact CD1-CG2 4.09Å; L39-V41 HydrophobicContact CD2-CG2 3.61Å; L39-V41 HydrophobicContact CG-CG2 3.53Å | ||
| 40 | I | 97.4 | Very high | 95.8 | Very high | 152 Ų | 152 | 80.4 Ų | 80.4 | 78% | 0.779 | 43% | 0.429 | S | S | * | . | trans | -116.4 | 120.2 | 172.6 | -60.3 | 173.7 | 0 | 0 | 0 | 106.7 | ||||
| 41 | V | 96.9 | Very high | 96.9 | Very high | 48 Ų | 48 | 75.7 Ų | 75.7 | 29% | 0.291 | 41% | 0.407 | S | S | . | . | trans | -126.3 | 141.1 | -178.4 | -169.2 | 0 | 0 | 0 | 0 | 108.9 | L39 S47 | L39-V41 HydrophobicContact CD1-CG2 4.09Å; L39-V41 HydrophobicContact CD2-CG2 3.61Å; L39-V41 HydrophobicContact CG-CG2 3.53Å; V41-S47 WeakPolarHBondContact CG2-OG 3.32Å | ||
| 42 | Q | 97.3 | Very high | 97.2 | Very high | 154 Ų | 154 | 73.2 Ų | 73.2 | 72% | 0.72 | 40% | 0.402 | S | S | * | . | trans | -73.3 | 153.8 | 172.9 | -63.3 | -60.1 | -33.3 | 0 | 0 | 110.6 | G44 G45 | Q42-G44 PolarHBondContact O-N 2.87Å; Q42-G45 PolarHBondContact O-N 2.78Å | ||
| 43 | K | 97.6 | Very high | 97.3 | Very high | 165 Ų | 165 | 72.6 Ų | 72.6 | 72% | 0.717 | 40% | 0.396 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -53.2 | 134.5 | 173.1 | -178.6 | -176.9 | 174.3 | -176 | 0 | 110.2 | G45 S108 | K43-G45 PolarHBondContact O-N 2.78Å; K43-S108 CarbonylContact C-O 3.52Å; K43-S108 VanDerWaalsContact CA-O 3.32Å; K43-S108 WeakPolarHBondContact CA-O 3.37Å |
| 44 | G | 97.7 | Very high | 97.2 | Very high | 41 Ų | 41 | 72.6 Ų | 72.6 | 42% | 0.423 | 40% | 0.398 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 82.3 | -8.4 | -176.3 | 0 | 0 | 0 | 0 | 0 | 114.7 | Q42 D107 S108 | Q42-G44 PolarHBondContact O-N 2.87Å; G44-D107 WeakPolarHBondContact CA-OD1 3.47Å; G44-S108 PolarHBondContact N-O 3.39Å |
| 45 | G | 97.9 | Very high | 97 | Very high | 23 Ų | 23 | 72.1 Ų | 72.1 | 24% | 0.237 | 40% | 0.397 | C | S | . | . | P | Polyproline II helix | trans | -73.2 | 172.3 | 175 | 0 | 0 | 0 | 0 | 0 | 113.1 | Q42 K43 S108 | Q42-G45 PolarHBondContact O-N 2.78Å; K43-G45 PolarHBondContact O-N 2.78Å; G45-S108 VanDerWaalsContact O-CB 3.26Å; G45-S108 WeakPolarHBondContact O-CB 3.31Å; G45-S108 PolarHBondContact O-N 3.47Å; G45-S108 PolarHBondContact O-OG 2.9Å |
| 46 | I | 97.6 | Very high | 96.8 | Very high | 91 Ų | 91 | 74 Ų | 74 | 47% | 0.467 | 41% | 0.407 | S | S | . | . | P | Polyproline II helix | trans | -101.4 | 121.7 | 177.3 | -55.8 | 171.6 | 0 | 0 | 0 | 108.2 | I48 I105 M106 | I46-I48 HydrophobicContact CG2-CD1 4.22Å; I46-I48 HydrophobicContact CG2-CG1 3.84Å; I46-I105 WeakPolarHBondContact CA-O 3.31Å; I46-M106 HydrophobicContact CD1-CE 3.79Å; I46-M106 HydrophobicContact CD1-SD 4.31Å; I46-M106 HydrophobicContact CG1-CE 4.04Å; I46-M106 HydrophobicContact CG1-SD 4.19Å; I46-M106 HydrophobicContact CG2-SD 3.89Å |
| 47 | S | 97.6 | Very high | 96.7 | Very high | 15 Ų | 15 | 75 Ų | 75 | 11% | 0.105 | 42% | 0.419 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.2 | 125.6 | 172.7 | -58.4 | 0 | 0 | 0 | 0 | 109.4 | V41 H104 I105 S108 | V41-S47 WeakPolarHBondContact CG2-OG 3.32Å; S47-H104 CarbonylContact O-C 3.49Å; S47-H104 VanDerWaalsContact O-CA 3.3Å; S47-H104 WeakPolarHBondContact O-CA 3.43Å; S47-I105 PolarHBondContact N-O 2.78Å; S47-I105 PolarHBondContact O-N 3.01Å; S47-S108 PolarHBondContact N-OG 3.19Å; S47-S108 PolarHBondContact OG-OG 2.78Å |
| 48 | I | 97.8 | Very high | 96.6 | Very high | 68 Ų | 68 | 67 Ų | 67 | 35% | 0.349 | 38% | 0.381 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.7 | 123.3 | 179.4 | -53.5 | 177.9 | 0 | 0 | 0 | 108.8 | I46 S103 | I46-I48 HydrophobicContact CG2-CD1 4.22Å; I46-I48 HydrophobicContact CG2-CG1 3.84Å; I48-S103 WeakPolarHBondContact CA-O 3.14Å |
| 49 | I | 97.8 | Very high | 96.6 | Very high | 16 Ų | 16 | 67 Ų | 67 | 8% | 0.082 | 37% | 0.374 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.9 | 126.4 | 174.6 | -45.8 | 177.2 | 0 | 0 | 0 | 107.6 | Q34 W63 S102 S103 Y116 | Q34-I49 HydrophobicContact CG-CG2 3.72Å; I49-W63 HydrophobicContact CB-CH2 3.69Å; I49-W63 HydrophobicContact CB-CZ3 3.9Å; I49-W63 HydrophobicContact CG2-CH2 3.57Å; I49-W63 HydrophobicContact CG2-CZ3 3.73Å; I49-W63 WeakPolarHBondContact O-CH2 3.39Å; I49-S102 CarbonylContact O-C 3.6Å; I49-S102 WeakPolarHBondContact O-CA 3.3Å; I49-S102 WeakPolarHBondContact O-CB 3.37Å; I49-S103 PolarHBondContact N-O 3.34Å; I49-S103 PolarHBondContact O-N 3.03Å; I49-Y116 HydrophobicContact CD1-CD2 3.91Å; I49-Y116 HydrophobicContact CD1-CG 3.83Å |
| 50 | N | 97.8 | Very high | 96.6 | Very high | 60 Ų | 60 | 66.4 Ų | 66.4 | 32% | 0.321 | 37% | 0.366 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.3 | 146.9 | -176 | -58.5 | -73 | 0 | 0 | 0 | 110.5 | Q34 S35 S102 | Q34-N50 CarbonylContact C-O 3.59Å; Q34-N50 WeakPolarHBondContact CA-O 3.38Å; S35-N50 PolarHBondContact N-O 2.87Å; S35-N50 PolarHBondContact O-N 2.94Å; N50-S102 WeakPolarHBondContact OD1-CB 3.29Å |
| 51 | C | 97.9 | Very high | 96.6 | Very high | 2 Ų | 2 | 59.1 Ų | 59.1 | 1% | 0.014 | 33% | 0.329 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.8 | 132.8 | 170.2 | -70.7 | 0 | 0 | 0 | 0 | 111.1 | V32 K33 W63 Q100 F101 C118 | V32-C51 HydrophobicContact CG1-CB 4.43Å; K33-C51 CarbonylContact O-C 3.52Å; K33-C51 VanDerWaalsContact O-CA 3.31Å; K33-C51 WeakPolarHBondContact O-CA 3.38Å; C51-W63 HydrophobicContact CB-CZ2 4.37Å; C51-W63 VanDerWaalsContact SG-CH2 3.53Å; C51-Q100 CarbonylContact O-C 3.57Å; C51-Q100 VanDerWaalsContact O-CA 3.23Å; C51-Q100 WeakPolarHBondContact O-CA 3.31Å; C51-F101 HydrophobicContact CB-CD1 3.96Å; C51-F101 HydrophobicContact CB-CD2 4.47Å; C51-F101 HydrophobicContact CB-CE1 3.48Å; C51-F101 VanDerWaalsContact CB-CE1 3.48Å; C51-F101 HydrophobicContact CB-CE2 4.06Å; C51-F101 HydrophobicContact CB-CG 4.42Å; C51-F101 HydrophobicContact CB-CZ 3.55Å; C51-F101 PolarHBondContact N-O 3.33Å; C51-F101 PolarHBondContact O-N 2.94Å; C51-C118 HydrophobicContact CB-CB 3.74Å; C51-C118 WeakPolarHBondContact CB-SG 3.36Å; C51-C118 WeakPolarHBondContact SG-CB 3.42Å; C51-C118 CovalentContact SG-SG 1.99Å; C51-C118 PolarHBondContact SG-SG 3.06Å |
| 52 | A | 97.4 | Very high | 96.6 | Very high | 35 Ų | 35 | 57 Ų | 57 | 29% | 0.289 | 32% | 0.317 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.7 | 143.9 | 169.4 | 0 | 0 | 0 | 0 | 0 | 109 | V32 K33 K99 Q100 | V32-A52 CarbonylContact C-O 3.51Å; V32-A52 VanDerWaalsContact CA-O 3.29Å; V32-A52 WeakPolarHBondContact CA-O 3.26Å; K33-A52 PolarHBondContact N-O 2.87Å; K33-A52 PolarHBondContact O-N 3.05Å; A52-K99 WeakPolarHBondContact CA-O 3.23Å; A52-Q100 HydrophobicContact CB-CG 4.09Å |
| 53 | Y | 96.1 | Very high | 96.7 | Very high | 13 Ų | 13 | 49.7 Ų | 49.7 | 5% | 0.051 | 28% | 0.282 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130 | 155.6 | 176 | 69.3 | -84.2 | 0 | 0 | 0 | 111.4 | Q31 N55 F58 F61 F94 K99 F101 | Q31-Y53 CarbonylContact O-C 3.55Å; Q31-Y53 WeakPolarHBondContact O-CA 3.32Å; Y53-N55 VanDerWaalsContact CD2-O 3.3Å; Y53-N55 WeakPolarHBondContact CD2-O 3.48Å; Y53-N55 WeakPolarHBondContact CE2-O 3.44Å; Y53-F58 HydrophobicContact CD2-CD2 4.18Å; Y53-F61 HydrophobicContact CD1-CD1 4.4Å; Y53-F61 AromaticContact CD1-CE1 3.63Å; Y53-F61 HydrophobicContact CD1-CE1 3.63Å; Y53-F61 HydrophobicContact CD1-CZ 4.41Å; Y53-F61 HydrophobicContact CD2-CE1 4.05Å; Y53-F61 HydrophobicContact CD2-CZ 4.38Å; Y53-F61 AromaticContact CE1-CE1 3.66Å; Y53-F61 HydrophobicContact CE1-CE1 3.66Å; Y53-F61 HydrophobicContact CE1-CZ 4.04Å; Y53-F61 HydrophobicContact CE2-CE1 4.08Å; Y53-F61 HydrophobicContact CE2-CZ 4.02Å; Y53-F61 AromaticContact CG-CE1 3.85Å; Y53-F61 HydrophobicContact CG-CE1 3.85Å; Y53-F61 AromaticContact CZ-CE1 3.9Å; Y53-F61 AromaticContact CZ-CZ 3.85Å; Y53-F94 AromaticContact CE1-CE2 3.98Å; Y53-F94 HydrophobicContact CE1-CE2 3.98Å; Y53-F94 HydrophobicContact CE1-CZ 4.14Å; Y53-F94 WeakPolarHBondContact OH-CZ 3.35Å; Y53-K99 VanDerWaalsContact CD1-C 3.47Å; Y53-K99 HydrophobicContact CD1-CB 4.22Å; Y53-K99 WeakPolarHBondContact CD1-O 3.09Å; Y53-K99 HydrophobicContact CD2-CB 4.49Å; Y53-K99 VanDerWaalsContact CE1-CA 3.44Å; Y53-K99 HydrophobicContact CE1-CB 3.95Å; Y53-K99 WeakPolarHBondContact CE1-O 3.15Å; Y53-K99 HydrophobicContact CE2-CB 4.23Å; Y53-K99 HydrophobicContact CE2-CG 4.46Å; Y53-K99 HydrophobicContact CG-CB 4.48Å; Y53-K99 PolarHBondContact N-O 2.97Å; Y53-K99 VanDerWaalsContact O-CB 3.23Å; Y53-K99 WeakPolarHBondContact O-CB 3.18Å; Y53-K99 WeakPolarHBondContact O-CD 3.38Å; Y53-F101 HydrophobicContact CD1-CD1 4.04Å; Y53-F101 HydrophobicContact CD1-CE1 4.24Å |
| 54 | E | 94.4 | Very high | 96.6 | Very high | 87 Ų | 87 | 45.6 Ų | 45.6 | 41% | 0.407 | 26% | 0.263 | S | S | . | . | trans | -104.9 | -42.2 | -174.7 | -64.9 | -175.9 | -177.2 | 0 | 0 | 112.5 | Q31 K33 T56 K99 | Q31-E54 PolarHBondContact O-N 3.46Å; K33-E54 IonicContact NZ-OE1 2.76Å; K33-E54 PolarHBondContact NZ-OE1 3.48Å; E54-T56 PolarHBondContact O-N 2.89Å; E54-K99 PolarHBondContact O-NZ 3.07Å | ||
| 55 | N | 93.8 | Very high | 96.6 | Very high | 54 Ų | 54 | 45 Ų | 45 | 29% | 0.289 | 25% | 0.249 | S | C | . | . | trans | -77 | 117.1 | -175.3 | -175.3 | -3.8 | 0 | 0 | 0 | 112 | Q31 Y53 A57 F58 | Q31-N55 PolarHBondContact OE1-ND2 1.99Å; Y53-N55 VanDerWaalsContact CD2-O 3.3Å; Y53-N55 WeakPolarHBondContact CD2-O 3.48Å; Y53-N55 WeakPolarHBondContact CE2-O 3.44Å; N55-A57 VanDerWaalsContact C-N 3.25Å; N55-A57 PolarHBondContact O-N 3.37Å; N55-A57 VanDerWaalsContact OD1-CB 3.27Å; N55-A57 WeakPolarHBondContact OD1-CB 3.43Å; N55-A57 PolarHBondContact OD1-N 3.01Å; N55-F58 HydrophobicContact CB-CD1 4.23Å; N55-F58 HydrophobicContact CB-CD2 3.83Å; N55-F58 HydrophobicContact CB-CE1 4.04Å; N55-F58 HydrophobicContact CB-CE2 3.63Å; N55-F58 HydrophobicContact CB-CG 4.17Å; N55-F58 HydrophobicContact CB-CZ 3.76Å; N55-F58 WeakPolarHBondContact ND2-CE1 3.48Å; N55-F58 WeakPolarHBondContact O-CD2 3.32Å; N55-F58 PolarHBondContact O-N 2.97Å | ||
| 56 | T | 92.3 | Very high | 96.6 | Very high | 105 Ų | 105 | 46.4 Ų | 46.4 | 64% | 0.644 | 25% | 0.249 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -77.2 | -8.6 | -178.5 | 52.5 | 0 | 0 | 0 | 0 | 114.2 | E54 F58 | E54-T56 PolarHBondContact O-N 2.89Å; T56-F58 VanDerWaalsContact C-N 3.3Å |
| 57 | A | 94.5 | Very high | 96.7 | Very high | 73 Ų | 73 | 46 Ų | 46 | 60% | 0.603 | 25% | 0.245 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -77.8 | -16.4 | 175.3 | 0 | 0 | 0 | 0 | 0 | 112.9 | N55 D59 | N55-A57 VanDerWaalsContact C-N 3.25Å; N55-A57 PolarHBondContact O-N 3.37Å; N55-A57 VanDerWaalsContact OD1-CB 3.27Å; N55-A57 WeakPolarHBondContact OD1-CB 3.43Å; N55-A57 PolarHBondContact OD1-N 3.01Å; A57-D59 PolarHBondContact O-N 2.89Å |
| 58 | F | 95.5 | Very high | 96.6 | Very high | 28 Ų | 28 | 50.9 Ų | 50.9 | 12% | 0.123 | 28% | 0.276 | C | S | . | . | trans | -64.6 | 131.2 | 178.1 | -63.1 | -24.5 | 0 | 0 | 0 | 111.5 | Q31 V32 Y53 N55 T56 F61 A120 S121 | Q31-F58 HydrophobicContact CB-CE2 4.12Å; Q31-F58 HydrophobicContact CB-CZ 4.33Å; V32-F58 HydrophobicContact CG2-CE2 4.34Å; Y53-F58 HydrophobicContact CD2-CD2 4.18Å; N55-F58 HydrophobicContact CB-CD1 4.23Å; N55-F58 HydrophobicContact CB-CD2 3.83Å; N55-F58 HydrophobicContact CB-CE1 4.04Å; N55-F58 HydrophobicContact CB-CE2 3.63Å; N55-F58 HydrophobicContact CB-CG 4.17Å; N55-F58 HydrophobicContact CB-CZ 3.76Å; N55-F58 WeakPolarHBondContact ND2-CE1 3.48Å; N55-F58 WeakPolarHBondContact O-CD2 3.32Å; N55-F58 PolarHBondContact O-N 2.97Å; T56-F58 VanDerWaalsContact C-N 3.3Å; F58-F61 HydrophobicContact CB-CE1 4.17Å; F58-F61 HydrophobicContact CB-CZ 3.81Å; F58-F61 WeakPolarHBondContact O-CZ 3.12Å; F58-A120 HydrophobicContact CB-CB 4.17Å; F58-A120 HydrophobicContact CD2-CB 3.37Å; F58-A120 HydrophobicContact CE2-CB 3.85Å; F58-A120 HydrophobicContact CG-CB 3.97Å; F58-S121 CarbonylContact C-O 3.52Å; F58-S121 VanDerWaalsContact CA-O 3.32Å; F58-S121 WeakPolarHBondContact CA-O 3.45Å; F58-S121 VanDerWaalsContact CD1-OXT 3.26Å; F58-S121 WeakPolarHBondContact CD1-OXT 3.23Å | ||
| 59 | D | 96.1 | Very high | 96.6 | Very high | 99 Ų | 99 | 51.7 Ų | 51.7 | 53% | 0.529 | 30% | 0.301 | S | S | . | . | trans | -128.8 | 0.6 | -177.3 | 74.6 | -0.5 | 0 | 0 | 0 | 113.6 | A57 P80 S121 | A57-D59 PolarHBondContact O-N 2.89Å; D59-P80 HydrophobicContact CB-CG 4.23Å; D59-P80 WeakPolarHBondContact O-CD 3.22Å; D59-S121 PolarHBondContact N-O 3.43Å | ||
| 60 | Y | 97.1 | Very high | 96.6 | Very high | 65 Ų | 65 | 57.9 Ų | 57.9 | 26% | 0.255 | 33% | 0.327 | S | S | . | . | trans | -132.3 | 121.8 | 177.9 | -173.8 | -114.1 | 0 | 0 | 0 | 111.7 | P62 A77 A120 S121 | Y60-P62 HydrophobicContact CD1-CG 3.99Å; Y60-P62 HydrophobicContact CE1-CB 3.83Å; Y60-P62 HydrophobicContact CE1-CG 3.71Å; Y60-P62 WeakPolarHBondContact O-CD 3.36Å; Y60-A77 HydrophobicContact CD2-CB 4.36Å; Y60-A77 HydrophobicContact CE2-CB 3.46Å; Y60-A77 VanDerWaalsContact CE2-CB 3.46Å; Y60-A77 WeakPolarHBondContact OH-CB 3.45Å; Y60-A120 WeakPolarHBondContact O-CA 3.45Å; Y60-S121 PolarHBondContact N-O 3.43Å; Y60-S121 PolarHBondContact O-N 3.46Å | ||
| 61 | F | 97.7 | Very high | 96.5 | Very high | 0 Ų | 0 | 57.4 Ų | 57.4 | 0% | 0 | 34% | 0.336 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.1 | 80.2 | -172.5 | -59.4 | -90.7 | 0 | 0 | 0 | 111.1 | Y53 F58 A77 I78 P80 F94 F101 A120 | Y53-F61 HydrophobicContact CD1-CD1 4.4Å; Y53-F61 AromaticContact CD1-CE1 3.63Å; Y53-F61 HydrophobicContact CD1-CE1 3.63Å; Y53-F61 HydrophobicContact CD1-CZ 4.41Å; Y53-F61 HydrophobicContact CD2-CE1 4.05Å; Y53-F61 HydrophobicContact CD2-CZ 4.38Å; Y53-F61 AromaticContact CE1-CE1 3.66Å; Y53-F61 HydrophobicContact CE1-CE1 3.66Å; Y53-F61 HydrophobicContact CE1-CZ 4.04Å; Y53-F61 HydrophobicContact CE2-CE1 4.08Å; Y53-F61 HydrophobicContact CE2-CZ 4.02Å; Y53-F61 AromaticContact CG-CE1 3.85Å; Y53-F61 HydrophobicContact CG-CE1 3.85Å; Y53-F61 AromaticContact CZ-CE1 3.9Å; Y53-F61 AromaticContact CZ-CZ 3.85Å; F58-F61 HydrophobicContact CB-CE1 4.17Å; F58-F61 HydrophobicContact CB-CZ 3.81Å; F58-F61 WeakPolarHBondContact O-CZ 3.12Å; F61-A77 WeakPolarHBondContact O-CA 3.39Å; F61-I78 HydrophobicContact CB-CG2 3.83Å; F61-I78 PolarHBondContact N-O 2.81Å; F61-I78 PolarHBondContact O-N 3.26Å; F61-P80 HydrophobicContact CE2-CG 3.86Å; F61-F94 AromaticContact CD1-CE2 3.91Å; F61-F94 HydrophobicContact CD1-CE2 3.91Å; F61-F94 HydrophobicContact CD2-CD2 4.07Å; F61-F94 AromaticContact CD2-CE2 3.49Å; F61-F94 HydrophobicContact CD2-CE2 3.49Å; F61-F94 VanDerWaalsContact CD2-CE2 3.49Å; F61-F94 HydrophobicContact CD2-CZ 4.19Å; F61-F94 AromaticContact CE1-CE2 3.8Å; F61-F94 HydrophobicContact CE1-CE2 3.8Å; F61-F94 HydrophobicContact CE1-CZ 4.45Å; F61-F94 HydrophobicContact CE2-CD2 4.41Å; F61-F94 AromaticContact CE2-CE2 3.42Å; F61-F94 HydrophobicContact CE2-CE2 3.42Å; F61-F94 VanDerWaalsContact CE2-CE2 3.42Å; F61-F94 AromaticContact CE2-CZ 3.71Å; F61-F94 HydrophobicContact CE2-CZ 3.71Å; F61-F94 HydrophobicContact CG-CD2 4.18Å; F61-F94 AromaticContact CG-CE2 3.75Å; F61-F94 HydrophobicContact CG-CE2 3.75Å; F61-F94 AromaticContact CZ-CE2 3.57Å; F61-F94 HydrophobicContact CZ-CE2 3.57Å; F61-F94 AromaticContact CZ-CZ 3.84Å; F61-F94 HydrophobicContact CZ-CZ 3.84Å; F61-F101 HydrophobicContact CB-CD2 4.03Å; F61-F101 HydrophobicContact CB-CE2 3.99Å; F61-F101 HydrophobicContact CB-CG 4.37Å; F61-F101 HydrophobicContact CB-CZ 4.3Å; F61-F101 AromaticContact CD1-CD1 3.73Å; F61-F101 HydrophobicContact CD1-CD1 3.73Å; F61-F101 AromaticContact CD1-CE1 3.58Å; F61-F101 HydrophobicContact CD1-CE1 3.58Å; F61-F101 HydrophobicContact CD1-CE2 4.42Å; F61-F101 HydrophobicContact CD1-CG 4.23Å; F61-F101 AromaticContact CD1-CZ 3.95Å; F61-F101 HydrophobicContact CD1-CZ 3.95Å; F61-F101 HydrophobicContact CE1-CD1 4.36Å; F61-F101 HydrophobicContact CE1-CE1 4.28Å; F61-F101 HydrophobicContact CG-CD1 4.48Å; F61-A120 HydrophobicContact CD1-CB 3.66Å; F61-A120 HydrophobicContact CE1-CB 3.61Å |
| 62 | P | 97.1 | Very high | 96.5 | Very high | 4 Ų | 4 | 60.9 Ų | 60.9 | 3% | 0.026 | 36% | 0.359 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -81.6 | 146.7 | 178.5 | 32.7 | -35.6 | 0 | 0 | 0 | 112.7 | Y60 Y64 L74 A77 A119 | Y60-P62 HydrophobicContact CD1-CG 3.99Å; Y60-P62 HydrophobicContact CE1-CB 3.83Å; Y60-P62 HydrophobicContact CE1-CG 3.71Å; Y60-P62 WeakPolarHBondContact O-CD 3.36Å; P62-Y64 HydrophobicContact CB-CD2 4.43Å; P62-Y64 HydrophobicContact CB-CE2 3.79Å; P62-Y64 HydrophobicContact CG-CE2 3.79Å; P62-L74 HydrophobicContact CB-CD1 3.6Å; P62-A77 HydrophobicContact CB-CB 4.02Å; P62-A119 WeakPolarHBondContact CD-O 3.25Å; P62-A119 HydrophobicContact CG-CB 4.12Å; P62-A119 PolarHBondContact O-N 3.05Å |
| 63 | W | 97.8 | Very high | 96.5 | Very high | 0 Ų | 0 | 62 Ų | 62 | 0% | 0 | 37% | 0.368 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.6 | 134.9 | 163.7 | -77.5 | 86.5 | 0 | 0 | 0 | 109.8 | I49 C51 L75 I76 I92 F101 S103 F117 C118 | I49-W63 HydrophobicContact CB-CH2 3.69Å; I49-W63 HydrophobicContact CB-CZ3 3.9Å; I49-W63 HydrophobicContact CG2-CH2 3.57Å; I49-W63 HydrophobicContact CG2-CZ3 3.73Å; I49-W63 WeakPolarHBondContact O-CH2 3.39Å; C51-W63 HydrophobicContact CB-CZ2 4.37Å; C51-W63 VanDerWaalsContact SG-CH2 3.53Å; W63-L75 WeakPolarHBondContact O-CB 3.3Å; W63-L75 PolarHBondContact O-N 3.38Å; W63-I76 HydrophobicContact CB-CG2 4.41Å; W63-I76 PolarHBondContact N-O 2.95Å; W63-I76 PolarHBondContact O-N 2.86Å; W63-I92 VanDerWaalsContact CD1-CD1 3.46Å; W63-I92 HydrophobicContact CG-CD1 4.33Å; W63-I92 HydrophobicContact CG-CG1 4.48Å; W63-F101 AromaticContact CE2-CE2 3.88Å; W63-F101 HydrophobicContact CZ2-CD2 4.25Å; W63-F101 HydrophobicContact CZ2-CE2 4.18Å; W63-F101 AromaticContact NE1-CD2 3.35Å; W63-F101 VanDerWaalsContact NE1-CD2 3.35Å; W63-F101 AromaticContact NE1-CE2 3.46Å; W63-S103 VanDerWaalsContact CE2-CB 3.47Å; W63-F117 CarbonylContact C-O 3.58Å; W63-F117 WeakPolarHBondContact CA-O 3.42Å; W63-C118 HydrophobicContact CD2-CB 4.01Å; W63-C118 HydrophobicContact CE3-CB 3.96Å; W63-C118 HydrophobicContact CH2-CB 3.75Å; W63-C118 HydrophobicContact CZ2-CB 3.79Å; W63-C118 HydrophobicContact CZ3-CB 3.84Å |
| 64 | Y | 97.5 | Very high | 96.6 | Very high | 78 Ų | 78 | 65.9 Ų | 65.9 | 31% | 0.306 | 39% | 0.389 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.5 | 147.5 | 175 | -66.6 | -97.4 | 0 | 0 | 0 | 110.4 | P62 P72 A73 L74 Y116 F117 | P62-Y64 HydrophobicContact CB-CD2 4.43Å; P62-Y64 HydrophobicContact CB-CE2 3.79Å; P62-Y64 HydrophobicContact CG-CE2 3.79Å; Y64-P72 HydrophobicContact CD1-CB 4.25Å; Y64-A73 CarbonylContact C-O 3.52Å; Y64-A73 WeakPolarHBondContact CA-O 2.85Å; Y64-L74 HydrophobicContact CD1-CB 4.35Å; Y64-L74 HydrophobicContact CE1-CB 4.05Å; Y64-L74 HydrophobicContact CE1-CD1 4.35Å; Y64-Y116 WeakPolarHBondContact O-CA 3.32Å; Y64-F117 PolarHBondContact N-O 3.21Å; Y64-F117 PolarHBondContact O-N 3.13Å |
| 65 | Q | 97.4 | Very high | 96.7 | Very high | 28 Ų | 28 | 63.9 Ų | 63.9 | 13% | 0.131 | 38% | 0.381 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.1 | 135.1 | 171.9 | -175.6 | -173.7 | 52.8 | 0 | 0 | 109.1 | F67 A73 L75 A114 Y116 | Q65-F67 VanDerWaalsContact CD-CZ 3.44Å; Q65-F67 HydrophobicContact CG-CE2 4.38Å; Q65-F67 HydrophobicContact CG-CZ 4.3Å; Q65-F67 VanDerWaalsContact OE1-CE2 3.26Å; Q65-F67 VanDerWaalsContact OE1-CZ 3.3Å; Q65-A73 PolarHBondContact N-O 2.95Å; Q65-A73 PolarHBondContact O-N 2.92Å; Q65-L75 HydrophobicContact CB-CB 4.33Å; Q65-L75 HydrophobicContact CB-CD2 4.45Å; Q65-A114 HydrophobicContact CG-CB 3.62Å; Q65-Y116 HydrophobicContact CB-CD1 4.21Å; Q65-Y116 HydrophobicContact CB-CE1 4.02Å; Q65-Y116 HydrophobicContact CG-CD1 4.26Å; Q65-Y116 HydrophobicContact CG-CE1 3.73Å; Q65-Y116 PolarHBondContact NE2-OH 3.16Å |
| 66 | Q | 98.3 | Very high | 96.8 | Very high | 53 Ų | 53 | 61.7 Ų | 61.7 | 25% | 0.248 | 37% | 0.37 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.1 | 112.7 | 176.5 | -175 | -178.6 | 20.5 | 0 | 0 | 110.2 | K70 P72 A114 T115 F117 | Q66-K70 VanDerWaalsContact CG-O 3.27Å; Q66-K70 WeakPolarHBondContact CG-O 3.41Å; Q66-K70 PolarHBondContact NE2-O 3.04Å; Q66-P72 HydrophobicContact CB-CG 4.47Å; Q66-P72 HydrophobicContact CG-CG 4.48Å; Q66-A114 WeakPolarHBondContact O-CB 3.02Å; Q66-T115 PolarHBondContact N-O 3.47Å; Q66-T115 PolarHBondContact O-N 3.16Å; Q66-F117 HydrophobicContact CB-CE2 3.81Å; Q66-F117 VanDerWaalsContact OE1-CE2 3.23Å |
| 67 | F | 97.8 | Very high | 97 | Very high | 83 Ų | 83 | 57.3 Ų | 57.3 | 36% | 0.364 | 34% | 0.344 | S | S | . | . | trans | -77.8 | 154.3 | 169.3 | -67.5 | -65.6 | 0 | 0 | 0 | 111.5 | Q65 G69 K70 G111 A114 | Q65-F67 VanDerWaalsContact CD-CZ 3.44Å; Q65-F67 HydrophobicContact CG-CE2 4.38Å; Q65-F67 HydrophobicContact CG-CZ 4.3Å; Q65-F67 VanDerWaalsContact OE1-CE2 3.26Å; Q65-F67 VanDerWaalsContact OE1-CZ 3.3Å; F67-G69 PolarHBondContact O-N 3.18Å; F67-K70 HydrophobicContact CB-CB 4.38Å; F67-K70 HydrophobicContact CB-CG 4.15Å; F67-K70 PolarHBondContact O-N 3.47Å; F67-G111 VanDerWaalsContact CE1-O 3.3Å; F67-G111 WeakPolarHBondContact CE1-O 3.4Å; F67-A114 HydrophobicContact CD1-CB 3.91Å; F67-A114 HydrophobicContact CE1-CB 3.97Å | ||
| 68 | P | 96.6 | Very high | 97.1 | Very high | 118 Ų | 118 | 54 Ų | 54 | 77% | 0.766 | 32% | 0.316 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -50.9 | 128.5 | 174.9 | -27.6 | 35.5 | 0 | 0 | 0 | 112.3 | K70 | P68-K70 VanDerWaalsContact C-N 3.26Å; P68-K70 PolarHBondContact O-N 3.49Å |
| 69 | G | 97.4 | Very high | 97.2 | Very high | 85 Ų | 85 | 59.8 Ų | 59.8 | 88% | 0.876 | 34% | 0.337 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 74.1 | 6.7 | -179.6 | 0 | 0 | 0 | 0 | 0 | 115.7 | F67 | F67-G69 PolarHBondContact O-N 3.18Š|
| 70 | K | 97.3 | Very high | 97.1 | Very high | 145 Ų | 145 | 56.8 Ų | 56.8 | 63% | 0.63 | 32% | 0.323 | S | S | * | . | S | Bend | trans | -111.9 | 163.1 | 174 | -57.7 | -62.5 | -178.4 | -179.6 | 0 | 111 | Q66 F67 P68 | Q66-K70 VanDerWaalsContact CG-O 3.27Å; Q66-K70 WeakPolarHBondContact CG-O 3.41Å; Q66-K70 PolarHBondContact NE2-O 3.04Å; F67-K70 HydrophobicContact CB-CB 4.38Å; F67-K70 HydrophobicContact CB-CG 4.15Å; F67-K70 PolarHBondContact O-N 3.47Å; P68-K70 VanDerWaalsContact C-N 3.26Å; P68-K70 PolarHBondContact O-N 3.49Å |
| 71 | G | 97.1 | Very high | 96.9 | Very high | 50 Ų | 50 | 60.1 Ų | 60.1 | 52% | 0.515 | 35% | 0.345 | S | S | . | . | trans | -78.3 | 161.9 | 167.6 | 0 | 0 | 0 | 0 | 0 | 111.7 | A73 | G71-A73 PolarHBondContact O-N 3.48Š| ||
| 72 | P | 97.5 | Very high | 96.9 | Very high | 76 Ų | 76 | 62.8 Ų | 62.8 | 49% | 0.494 | 36% | 0.361 | S | S | . | . | trans | -59.7 | 132.1 | 171 | -21 | 32.8 | 0 | 0 | 0 | 111.4 | Y64 Q66 F117 | Y64-P72 HydrophobicContact CD1-CB 4.25Å; Q66-P72 HydrophobicContact CB-CG 4.47Å; Q66-P72 HydrophobicContact CG-CG 4.48Å; P72-F117 HydrophobicContact CG-CE2 4.36Å | ||
| 73 | A | 97.9 | Very high | 96.8 | Very high | 58 Ų | 58 | 66.9 Ų | 66.9 | 48% | 0.479 | 39% | 0.39 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.1 | 141.3 | 175 | 0 | 0 | 0 | 0 | 0 | 110 | Y64 Q65 G71 L75 | Y64-A73 CarbonylContact C-O 3.52Å; Y64-A73 WeakPolarHBondContact CA-O 2.85Å; Q65-A73 PolarHBondContact N-O 2.95Å; Q65-A73 PolarHBondContact O-N 2.92Å; G71-A73 PolarHBondContact O-N 3.48Å; A73-L75 PolarHBondContact O-N 3.43Å |
| 74 | L | 97.1 | Very high | 96.8 | Very high | 94 Ų | 94 | 72.2 Ų | 72.2 | 49% | 0.492 | 42% | 0.415 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -63.6 | 123.3 | 176.2 | 179.3 | 67.1 | 0 | 0 | 0 | 109.1 | P62 Y64 | P62-L74 HydrophobicContact CB-CD1 3.6Å; Y64-L74 HydrophobicContact CD1-CB 4.35Å; Y64-L74 HydrophobicContact CE1-CB 4.05Å; Y64-L74 HydrophobicContact CE1-CD1 4.35Å |
| 75 | L | 96 | Very high | 96.8 | Very high | 45 Ų | 45 | 72.7 Ų | 72.7 | 24% | 0.236 | 42% | 0.419 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.5 | -57.3 | 179.1 | 179.9 | 68 | 0 | 0 | 0 | 110.4 | W63 Q65 A73 F90 Y116 | W63-L75 WeakPolarHBondContact O-CB 3.3Å; W63-L75 PolarHBondContact O-N 3.38Å; Q65-L75 HydrophobicContact CB-CB 4.33Å; Q65-L75 HydrophobicContact CB-CD2 4.45Å; A73-L75 PolarHBondContact O-N 3.43Å; L75-F90 HydrophobicContact CD1-CD1 4.48Å; L75-F90 HydrophobicContact CD1-CD2 4.37Å; L75-F90 HydrophobicContact CD1-CE1 4.31Å; L75-F90 HydrophobicContact CD1-CE2 4.23Å; L75-F90 HydrophobicContact CD1-CZ 4.2Å; L75-F90 HydrophobicContact CD2-CD1 3.61Å; L75-F90 HydrophobicContact CD2-CE1 3.64Å; L75-F90 HydrophobicContact CD2-CG 4.25Å; L75-F90 HydrophobicContact CD2-CZ 4.33Å; L75-F90 HydrophobicContact CG-CD1 4.38Å; L75-Y116 HydrophobicContact CD2-CD1 4.18Å; L75-Y116 HydrophobicContact CD2-CE1 3.93Å |
| 76 | I | 96.4 | Very high | 96.8 | Very high | 9 Ų | 9 | 78 Ų | 78 | 5% | 0.046 | 44% | 0.441 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -161.9 | 153.1 | -179.2 | -174.2 | 178.8 | 0 | 0 | 0 | 108.9 | W63 K85 E87 I92 | W63-I76 HydrophobicContact CB-CG2 4.41Å; W63-I76 PolarHBondContact N-O 2.95Å; W63-I76 PolarHBondContact O-N 2.86Å; I76-K85 HydrophobicContact CD1-CB 4.37Å; I76-K85 HydrophobicContact CD1-CD 4.05Å; I76-K85 HydrophobicContact CD1-CG 3.98Å; I76-K85 HydrophobicContact CG1-CD 4.03Å; I76-E87 HydrophobicContact CD1-CB 3.71Å; I76-E87 HydrophobicContact CG1-CB 4.46Å; I76-I92 HydrophobicContact CB-CD1 3.89Å; I76-I92 HydrophobicContact CD1-CD1 4.1Å; I76-I92 HydrophobicContact CD1-CG1 4.31Å; I76-I92 HydrophobicContact CG1-CD1 3.75Å; I76-I92 HydrophobicContact CG1-CG1 4.47Å; I76-I92 HydrophobicContact CG2-CD1 3.32Å; I76-I92 HydrophobicContact CG2-CG1 3.68Å |
| 77 | A | 96.6 | Very high | 96.6 | Very high | 12 Ų | 12 | 81.3 Ų | 81.3 | 10% | 0.099 | 46% | 0.457 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.7 | 148.8 | 175.7 | 0 | 0 | 0 | 0 | 0 | 111.5 | Y60 F61 P62 K85 | Y60-A77 HydrophobicContact CD2-CB 4.36Å; Y60-A77 HydrophobicContact CE2-CB 3.46Å; Y60-A77 VanDerWaalsContact CE2-CB 3.46Å; Y60-A77 WeakPolarHBondContact OH-CB 3.45Å; F61-A77 WeakPolarHBondContact O-CA 3.39Å; P62-A77 HydrophobicContact CB-CB 4.02Å; A77-K85 WeakPolarHBondContact O-CD 3.47Å; A77-K85 PolarHBondContact O-NZ 3.41Å |
| 78 | I | 97.6 | Very high | 96.5 | Very high | 3 Ų | 3 | 80.2 Ų | 80.2 | 2% | 0.015 | 47% | 0.469 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.9 | 155.5 | 178.1 | -161.3 | 159.4 | 0 | 0 | 0 | 110.7 | F61 V82 K85 I92 F94 | F61-I78 HydrophobicContact CB-CG2 3.83Å; F61-I78 PolarHBondContact N-O 2.81Å; F61-I78 PolarHBondContact O-N 3.26Å; I78-V82 HydrophobicContact CD1-CB 4.3Å; I78-V82 HydrophobicContact CD1-CG1 4.05Å; I78-V82 VanDerWaalsContact CD1-O 3.32Å; I78-V82 WeakPolarHBondContact CD1-O 3.2Å; I78-V82 HydrophobicContact CG1-CB 3.93Å; I78-V82 HydrophobicContact CG1-CG1 4.08Å; I78-K85 HydrophobicContact CD1-CB 3.97Å; I78-K85 HydrophobicContact CG1-CB 4.3Å; I78-I92 HydrophobicContact CB-CB 4.42Å; I78-I92 HydrophobicContact CB-CD1 4.42Å; I78-I92 HydrophobicContact CB-CG2 3.98Å; I78-I92 HydrophobicContact CD1-CB 4.31Å; I78-I92 HydrophobicContact CD1-CG2 4.06Å; I78-I92 HydrophobicContact CG2-CB 4.48Å; I78-I92 HydrophobicContact CG2-CG2 3.54Å; I78-F94 HydrophobicContact CD1-CB 3.91Å; I78-F94 HydrophobicContact CG1-CB 4.37Å; I78-F94 HydrophobicContact CG2-CB 4.19Å; I78-F94 HydrophobicContact CG2-CD2 4.15Å |
| 79 | R | 96.8 | Very high | 96.5 | Very high | 151 Ų | 151 | 77.5 Ų | 77.5 | 57% | 0.57 | 44% | 0.444 | S | S | * | . | trans | -116.2 | 155.5 | 174.2 | -71.3 | -169.1 | 175.5 | 87.9 | 3.4 | 110.1 | D81 V82 | R79-D81 WeakPolarHBondContact CB-OD1 3.18Å; R79-D81 PolarHBondContact O-N 2.79Å; R79-V82 PolarHBondContact O-N 2.89Å | ||
| 80 | P | 94 | Very high | 96.4 | Very high | 35 Ų | 35 | 74.7 Ų | 74.7 | 23% | 0.227 | 41% | 0.407 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -58.3 | -20.8 | -173.6 | -23.3 | 24.9 | 0 | 0 | 0 | 117.3 | D59 F61 V82 F94 K96 | D59-P80 HydrophobicContact CB-CG 4.23Å; D59-P80 WeakPolarHBondContact O-CD 3.22Å; F61-P80 HydrophobicContact CE2-CG 3.86Å; P80-V82 VanDerWaalsContact C-N 3.29Å; P80-F94 VanDerWaalsContact CA-CE1 3.48Å; P80-F94 HydrophobicContact CB-CE1 3.81Å; P80-F94 HydrophobicContact CB-CZ 4.1Å; P80-F94 HydrophobicContact CG-CZ 4.32Å; P80-K96 HydrophobicContact CB-CD 4.49Å |
| 81 | D | 93.6 | Very high | 96.4 | Very high | 135 Ų | 135 | 68.4 Ų | 68.4 | 72% | 0.722 | 38% | 0.381 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -79.7 | -12.3 | 178.2 | 61.7 | -44.3 | 0 | 0 | 0 | 113.1 | R79 | R79-D81 WeakPolarHBondContact CB-OD1 3.18Å; R79-D81 PolarHBondContact O-N 2.79Å |
| 82 | V | 96.6 | Very high | 96.4 | Very high | 56 Ų | 56 | 66 Ų | 66 | 34% | 0.339 | 36% | 0.357 | S | S | . | . | trans | -109.8 | 118.7 | -179.8 | -176.8 | 0 | 0 | 0 | 0 | 109 | I78 R79 P80 E84 K85 | I78-V82 HydrophobicContact CD1-CB 4.3Å; I78-V82 HydrophobicContact CD1-CG1 4.05Å; I78-V82 VanDerWaalsContact CD1-O 3.32Å; I78-V82 WeakPolarHBondContact CD1-O 3.2Å; I78-V82 HydrophobicContact CG1-CB 3.93Å; I78-V82 HydrophobicContact CG1-CG1 4.08Å; R79-V82 PolarHBondContact O-N 2.89Å; P80-V82 VanDerWaalsContact C-N 3.29Å; V82-E84 WeakPolarHBondContact CG1-O 3.43Å; V82-K85 HydrophobicContact CG1-CB 4.46Å | ||
| 83 | S | 96.4 | Very high | 96.4 | Very high | 91 Ų | 91 | 63.8 Ų | 63.8 | 64% | 0.636 | 34% | 0.343 | S | S | * | . | S | Bend | trans | -75.1 | -30.1 | 179.2 | 59.4 | 0 | 0 | 0 | 0 | 113 | S93 F94 | S83-S93 CarbonylContact O-C 3.54Å; S83-S93 WeakPolarHBondContact O-CA 3.45Å; S83-F94 PolarHBondContact O-N 3Å |
| 84 | E | 97.5 | Very high | 96.4 | Very high | 112 Ų | 112 | 61.8 Ų | 61.8 | 52% | 0.523 | 32% | 0.323 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -150.4 | 140.6 | -179.1 | -172.7 | 172.9 | 96.3 | 0 | 0 | 111.2 | V82 T91 I92 S93 | V82-E84 WeakPolarHBondContact CG1-O 3.43Å; E84-T91 VanDerWaalsContact CD-CG2 3.45Å; E84-T91 HydrophobicContact CG-CG2 3.37Å; E84-I92 CarbonylContact C-O 3.56Å; E84-I92 VanDerWaalsContact CA-O 3.25Å; E84-I92 WeakPolarHBondContact CA-O 3.49Å; E84-S93 PolarHBondContact OE2-OG 3.18Å |
| 85 | K | 97.4 | Very high | 96.4 | Very high | 87 Ų | 87 | 61 Ų | 61 | 38% | 0.378 | 32% | 0.319 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.8 | 131.7 | 173.3 | -171.8 | -176.2 | 172.9 | 175.4 | 0 | 110.1 | I76 A77 I78 V82 T91 I92 | I76-K85 HydrophobicContact CD1-CB 4.37Å; I76-K85 HydrophobicContact CD1-CD 4.05Å; I76-K85 HydrophobicContact CD1-CG 3.98Å; I76-K85 HydrophobicContact CG1-CD 4.03Å; A77-K85 WeakPolarHBondContact O-CD 3.47Å; A77-K85 PolarHBondContact O-NZ 3.41Å; I78-K85 HydrophobicContact CD1-CB 3.97Å; I78-K85 HydrophobicContact CG1-CB 4.3Å; V82-K85 HydrophobicContact CG1-CB 4.46Å; K85-T91 CarbonylContact O-C 3.56Å; K85-T91 WeakPolarHBondContact O-CA 3.46Å; K85-I92 PolarHBondContact N-O 2.96Å; K85-I92 PolarHBondContact O-N 3.4Å |
| 86 | K | 96.9 | Very high | 96.3 | Very high | 140 Ų | 140 | 65.6 Ų | 65.6 | 61% | 0.609 | 34% | 0.337 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -116 | 139.1 | -177.8 | -173.4 | 176.1 | -178.2 | 178.5 | 0 | 111.5 | G88 F90 | K86-G88 WeakPolarHBondContact CE-O 3.32Å; K86-F90 CarbonylContact C-O 3.53Å; K86-F90 WeakPolarHBondContact CA-O 3.37Å |
| 87 | E | 94.6 | Very high | 96.2 | Very high | 122 Ų | 122 | 70.6 Ų | 70.6 | 57% | 0.57 | 37% | 0.373 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -139.1 | 101.7 | 173.5 | -171.6 | 66.5 | -129.5 | 0 | 0 | 108.7 | I76 R89 F90 | I76-E87 HydrophobicContact CD1-CB 3.71Å; I76-E87 HydrophobicContact CG1-CB 4.46Å; E87-R89 PolarHBondContact O-N 2.76Å; E87-R89 VanDerWaalsContact O-N 3.14Å; E87-F90 PolarHBondContact N-O 3.18Å; E87-F90 WeakPolarHBondContact O-CB 3.26Å; E87-F90 PolarHBondContact O-N 3.3Å |
| 88 | G | 95.4 | Very high | 96.2 | Very high | 61 Ų | 61 | 72.1 Ų | 72.1 | 63% | 0.629 | 39% | 0.386 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 58.5 | -116.6 | -174.3 | 0 | 0 | 0 | 0 | 0 | 112.8 | K86 | K86-G88 WeakPolarHBondContact CE-O 3.32Š|
| 89 | R | 96 | Very high | 96.1 | Very high | 60 Ų | 60 | 75.8 Ų | 75.8 | 23% | 0.226 | 40% | 0.402 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -87 | -9.3 | 176.7 | -68 | -170.9 | -59.9 | 102.9 | 2.2 | 113.7 | E87 M106 D107 D112 | E87-R89 PolarHBondContact O-N 2.76Å; E87-R89 VanDerWaalsContact O-N 3.14Å; R89-M106 WeakPolarHBondContact CB-O 3.37Å; R89-M106 WeakPolarHBondContact CD-O 3.42Å; R89-M106 PolarHBondContact NH1-O 3.34Å; R89-M106 PolarHBondContact O-N 3.23Å; R89-D107 PolarHBondContact NH1-O 3.2Å; R89-D112 IonicContact CZ-OD1 3.71Å; R89-D112 IonicContact CZ-OD2 3.28Å; R89-D112 VanDerWaalsContact CZ-OD2 3.28Å; R89-D112 IonicContact NH1-OD1 3.83Å; R89-D112 IonicContact NH1-OD2 2.73Å; R89-D112 PolarHBondContact NH1-OD2 3.28Å; R89-D112 IonicContact NH2-OD1 2.72Å; R89-D112 PolarHBondContact NH2-OD1 3.16Å; R89-D112 IonicContact NH2-OD2 2.93Å; R89-D112 PolarHBondContact NH2-OD2 3Å |
| 90 | F | 95.8 | Very high | 96.2 | Very high | 26 Ų | 26 | 73.1 Ų | 73.1 | 11% | 0.114 | 40% | 0.396 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.6 | 134.6 | -179.7 | -65.1 | -90.7 | 0 | 0 | 0 | 110.8 | L75 K86 E87 H104 I105 Y116 | L75-F90 HydrophobicContact CD1-CD1 4.48Å; L75-F90 HydrophobicContact CD1-CD2 4.37Å; L75-F90 HydrophobicContact CD1-CE1 4.31Å; L75-F90 HydrophobicContact CD1-CE2 4.23Å; L75-F90 HydrophobicContact CD1-CZ 4.2Å; L75-F90 HydrophobicContact CD2-CD1 3.61Å; L75-F90 HydrophobicContact CD2-CE1 3.64Å; L75-F90 HydrophobicContact CD2-CG 4.25Å; L75-F90 HydrophobicContact CD2-CZ 4.33Å; L75-F90 HydrophobicContact CG-CD1 4.38Å; K86-F90 CarbonylContact C-O 3.53Å; K86-F90 WeakPolarHBondContact CA-O 3.37Å; E87-F90 PolarHBondContact N-O 3.18Å; E87-F90 WeakPolarHBondContact O-CB 3.26Å; E87-F90 PolarHBondContact O-N 3.3Å; F90-H104 CarbonylContact C-O 3.54Å; F90-H104 WeakPolarHBondContact CA-O 3.23Å; F90-I105 HydrophobicContact CD1-CB 4.41Å; F90-I105 HydrophobicContact CD1-CD1 4.09Å; F90-I105 HydrophobicContact CD1-CG1 3.64Å; F90-I105 HydrophobicContact CD1-CG2 4.3Å; F90-I105 HydrophobicContact CE1-CB 4.3Å; F90-I105 HydrophobicContact CE1-CD1 3.39Å; F90-I105 HydrophobicContact CE1-CG1 3.47Å; F90-I105 VanDerWaalsContact CE1-CG1 3.47Å; F90-I105 HydrophobicContact CE1-CG2 3.98Å; F90-I105 HydrophobicContact CZ-CD1 4.18Å; F90-I105 HydrophobicContact CZ-CG1 4.43Å; F90-I105 HydrophobicContact CZ-CG2 4.17Å; F90-Y116 AromaticContact CE1-CE1 3.97Å; F90-Y116 HydrophobicContact CE1-CE1 3.97Å |
| 91 | T | 96.9 | Very high | 96.3 | Very high | 14 Ų | 14 | 71.6 Ų | 71.6 | 9% | 0.086 | 39% | 0.385 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.4 | 129.8 | 172.6 | -59.5 | 0 | 0 | 0 | 0 | 108.9 | E84 K85 S103 H104 | E84-T91 VanDerWaalsContact CD-CG2 3.45Å; E84-T91 HydrophobicContact CG-CG2 3.37Å; K85-T91 CarbonylContact O-C 3.56Å; K85-T91 WeakPolarHBondContact O-CA 3.46Å; T91-S103 CarbonylContact O-C 3.51Å; T91-S103 WeakPolarHBondContact O-CA 3.17Å; T91-H104 PolarHBondContact N-O 2.91Å; T91-H104 PolarHBondContact O-N 3.48Å |
| 92 | I | 97.3 | Very high | 96.5 | Very high | 0 Ų | 0 | 66 Ų | 66 | 0% | 0 | 36% | 0.357 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.1 | 130.7 | 164.4 | -60.2 | 166.7 | 0 | 0 | 0 | 108.5 | W63 I76 I78 E84 K85 S102 | W63-I92 VanDerWaalsContact CD1-CD1 3.46Å; W63-I92 HydrophobicContact CG-CD1 4.33Å; W63-I92 HydrophobicContact CG-CG1 4.48Å; I76-I92 HydrophobicContact CB-CD1 3.89Å; I76-I92 HydrophobicContact CD1-CD1 4.1Å; I76-I92 HydrophobicContact CD1-CG1 4.31Å; I76-I92 HydrophobicContact CG1-CD1 3.75Å; I76-I92 HydrophobicContact CG1-CG1 4.47Å; I76-I92 HydrophobicContact CG2-CD1 3.32Å; I76-I92 HydrophobicContact CG2-CG1 3.68Å; I78-I92 HydrophobicContact CB-CB 4.42Å; I78-I92 HydrophobicContact CB-CD1 4.42Å; I78-I92 HydrophobicContact CB-CG2 3.98Å; I78-I92 HydrophobicContact CD1-CB 4.31Å; I78-I92 HydrophobicContact CD1-CG2 4.06Å; I78-I92 HydrophobicContact CG2-CB 4.48Å; I78-I92 HydrophobicContact CG2-CG2 3.54Å; E84-I92 CarbonylContact C-O 3.56Å; E84-I92 VanDerWaalsContact CA-O 3.25Å; E84-I92 WeakPolarHBondContact CA-O 3.49Å; K85-I92 PolarHBondContact N-O 2.96Å; K85-I92 PolarHBondContact O-N 3.4Å; I92-S102 CarbonylContact C-O 3.5Å; I92-S102 WeakPolarHBondContact CA-O 3.47Å; I92-S102 WeakPolarHBondContact CG2-O 3Å |
| 93 | S | 97.4 | Very high | 96.6 | Very high | 28 Ų | 28 | 63.3 Ų | 63.3 | 20% | 0.196 | 34% | 0.341 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.7 | 137.5 | 168.3 | -48.9 | 0 | 0 | 0 | 0 | 109.6 | S83 E84 F101 S102 | S83-S93 CarbonylContact O-C 3.54Å; S83-S93 WeakPolarHBondContact O-CA 3.45Å; E84-S93 PolarHBondContact OE2-OG 3.18Å; S93-F101 CarbonylContact O-C 3.55Å; S93-F101 WeakPolarHBondContact O-CA 3.27Å; S93-F101 WeakPolarHBondContact O-CB 3.46Å; S93-S102 PolarHBondContact N-O 3.45Å; S93-S102 PolarHBondContact O-N 2.93Å |
| 94 | F | 98 | Very high | 96.6 | Very high | 17 Ų | 17 | 60.9 Ų | 60.9 | 8% | 0.075 | 32% | 0.319 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.5 | 131 | -178.7 | -174.5 | -94.6 | 0 | 0 | 0 | 110.7 | Y53 F61 I78 P80 S83 K96 F101 | Y53-F94 AromaticContact CE1-CE2 3.98Å; Y53-F94 HydrophobicContact CE1-CE2 3.98Å; Y53-F94 HydrophobicContact CE1-CZ 4.14Å; Y53-F94 WeakPolarHBondContact OH-CZ 3.35Å; F61-F94 AromaticContact CD1-CE2 3.91Å; F61-F94 HydrophobicContact CD1-CE2 3.91Å; F61-F94 HydrophobicContact CD2-CD2 4.07Å; F61-F94 AromaticContact CD2-CE2 3.49Å; F61-F94 HydrophobicContact CD2-CE2 3.49Å; F61-F94 VanDerWaalsContact CD2-CE2 3.49Å; F61-F94 HydrophobicContact CD2-CZ 4.19Å; F61-F94 AromaticContact CE1-CE2 3.8Å; F61-F94 HydrophobicContact CE1-CE2 3.8Å; F61-F94 HydrophobicContact CE1-CZ 4.45Å; F61-F94 HydrophobicContact CE2-CD2 4.41Å; F61-F94 AromaticContact CE2-CE2 3.42Å; F61-F94 HydrophobicContact CE2-CE2 3.42Å; F61-F94 VanDerWaalsContact CE2-CE2 3.42Å; F61-F94 AromaticContact CE2-CZ 3.71Å; F61-F94 HydrophobicContact CE2-CZ 3.71Å; F61-F94 HydrophobicContact CG-CD2 4.18Å; F61-F94 AromaticContact CG-CE2 3.75Å; F61-F94 HydrophobicContact CG-CE2 3.75Å; F61-F94 AromaticContact CZ-CE2 3.57Å; F61-F94 HydrophobicContact CZ-CE2 3.57Å; F61-F94 AromaticContact CZ-CZ 3.84Å; F61-F94 HydrophobicContact CZ-CZ 3.84Å; I78-F94 HydrophobicContact CD1-CB 3.91Å; I78-F94 HydrophobicContact CG1-CB 4.37Å; I78-F94 HydrophobicContact CG2-CB 4.19Å; I78-F94 HydrophobicContact CG2-CD2 4.15Å; P80-F94 VanDerWaalsContact CA-CE1 3.48Å; P80-F94 HydrophobicContact CB-CE1 3.81Å; P80-F94 HydrophobicContact CB-CZ 4.1Å; P80-F94 HydrophobicContact CG-CZ 4.32Å; S83-F94 PolarHBondContact O-N 3Å; F94-K96 HydrophobicContact CD1-CB 4.42Å; F94-K96 HydrophobicContact CE1-CB 3.69Å; F94-K96 HydrophobicContact CE1-CG 4.16Å; F94-K96 HydrophobicContact CZ-CB 4.48Å; F94-F101 HydrophobicContact CD2-CB 3.69Å; F94-F101 HydrophobicContact CD2-CG 4.45Å; F94-F101 HydrophobicContact CE2-CB 4.37Å |
| 95 | N | 96.8 | Very high | 96.6 | Very high | 76 Ų | 76 | 55.8 Ų | 55.8 | 41% | 0.406 | 30% | 0.295 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.8 | 98.6 | 176.9 | -174.4 | -22.8 | 0 | 0 | 0 | 110 | S97 A98 K99 Q100 | N95-S97 PolarHBondContact O-N 3.14Å; N95-S97 PolarHBondContact OD1-N 3.43Å; N95-S97 PolarHBondContact OD1-OG 3.43Å; N95-A98 HydrophobicContact CB-CB 4.18Å; N95-A98 PolarHBondContact O-N 3.15Å; N95-A98 PolarHBondContact OD1-N 3.4Å; N95-K99 PolarHBondContact O-N 3.27Å; N95-K99 VanDerWaalsContact O-N 3.13Å; N95-Q100 CarbonylContact C-O 3.52Å; N95-Q100 WeakPolarHBondContact CA-O 3.47Å; N95-Q100 PolarHBondContact N-O 3.34Å; N95-Q100 PolarHBondContact O-N 3.01Å |
| 96 | K | 94.7 | Very high | 96.6 | Very high | 142 Ų | 142 | 55.5 Ų | 55.5 | 62% | 0.617 | 30% | 0.297 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -62.2 | -41.3 | -178.9 | -164 | 171.5 | -179.6 | 172.2 | 0 | 113 | P80 F94 K99 | P80-K96 HydrophobicContact CB-CD 4.49Å; F94-K96 HydrophobicContact CD1-CB 4.42Å; F94-K96 HydrophobicContact CE1-CB 3.69Å; F94-K96 HydrophobicContact CE1-CG 4.16Å; F94-K96 HydrophobicContact CZ-CB 4.48Å; K96-K99 PolarHBondContact O-N 3.43Å |
| 97 | S | 94.1 | Very high | 96.7 | Very high | 115 Ų | 115 | 52.8 Ų | 52.8 | 80% | 0.804 | 29% | 0.289 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -70.7 | -36 | -175.5 | 61.7 | 0 | 0 | 0 | 0 | 111.6 | N95 K99 | N95-S97 PolarHBondContact O-N 3.14Å; N95-S97 PolarHBondContact OD1-N 3.43Å; N95-S97 PolarHBondContact OD1-OG 3.43Å; S97-K99 VanDerWaalsContact C-N 3.28Å |
| 98 | A | 96.1 | Very high | 96.8 | Very high | 43 Ų | 43 | 47.3 Ų | 47.3 | 36% | 0.355 | 26% | 0.264 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -80.3 | -6.5 | 174 | 0 | 0 | 0 | 0 | 0 | 113.7 | N95 Q100 | N95-A98 HydrophobicContact CB-CB 4.18Å; N95-A98 PolarHBondContact O-N 3.15Å; N95-A98 PolarHBondContact OD1-N 3.4Å; A98-Q100 HydrophobicContact CB-CB 4.2Å; A98-Q100 HydrophobicContact CB-CG 4.37Å; A98-Q100 WeakPolarHBondContact O-CG 3.44Å; A98-Q100 PolarHBondContact O-N 3.3Å |
| 99 | K | 96.3 | Very high | 96.9 | Very high | 80 Ų | 80 | 48.5 Ų | 48.5 | 35% | 0.348 | 25% | 0.253 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 48.1 | 47.1 | -168.1 | -55.7 | -174.8 | 179.3 | -173.2 | 0 | 112.5 | A52 Y53 E54 N95 K96 S97 | A52-K99 WeakPolarHBondContact CA-O 3.23Å; Y53-K99 VanDerWaalsContact CD1-C 3.47Å; Y53-K99 HydrophobicContact CD1-CB 4.22Å; Y53-K99 WeakPolarHBondContact CD1-O 3.09Å; Y53-K99 HydrophobicContact CD2-CB 4.49Å; Y53-K99 VanDerWaalsContact CE1-CA 3.44Å; Y53-K99 HydrophobicContact CE1-CB 3.95Å; Y53-K99 WeakPolarHBondContact CE1-O 3.15Å; Y53-K99 HydrophobicContact CE2-CB 4.23Å; Y53-K99 HydrophobicContact CE2-CG 4.46Å; Y53-K99 HydrophobicContact CG-CB 4.48Å; Y53-K99 PolarHBondContact N-O 2.97Å; Y53-K99 VanDerWaalsContact O-CB 3.23Å; Y53-K99 WeakPolarHBondContact O-CB 3.18Å; Y53-K99 WeakPolarHBondContact O-CD 3.38Å; E54-K99 PolarHBondContact O-NZ 3.07Å; N95-K99 PolarHBondContact O-N 3.27Å; N95-K99 VanDerWaalsContact O-N 3.13Å; K96-K99 PolarHBondContact O-N 3.43Å; S97-K99 VanDerWaalsContact C-N 3.28Å |
| 100 | Q | 97.4 | Very high | 96.9 | Very high | 95 Ų | 95 | 50.6 Ų | 50.6 | 44% | 0.444 | 27% | 0.274 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.5 | 150.2 | -175.6 | -77.4 | 175.4 | 5.6 | 0 | 0 | 111.5 | C51 A52 N95 A98 | C51-Q100 CarbonylContact O-C 3.57Å; C51-Q100 VanDerWaalsContact O-CA 3.23Å; C51-Q100 WeakPolarHBondContact O-CA 3.31Å; A52-Q100 HydrophobicContact CB-CG 4.09Å; N95-Q100 CarbonylContact C-O 3.52Å; N95-Q100 WeakPolarHBondContact CA-O 3.47Å; N95-Q100 PolarHBondContact N-O 3.34Å; N95-Q100 PolarHBondContact O-N 3.01Å; A98-Q100 HydrophobicContact CB-CB 4.2Å; A98-Q100 HydrophobicContact CB-CG 4.37Å; A98-Q100 WeakPolarHBondContact O-CG 3.44Å; A98-Q100 PolarHBondContact O-N 3.3Å |
| 101 | F | 97.6 | Very high | 96.9 | Very high | 3 Ų | 3 | 51.9 Ų | 51.9 | 1% | 0.013 | 30% | 0.295 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -145.9 | 149.6 | 169.2 | 65.4 | -73.3 | 0 | 0 | 0 | 109 | C51 Y53 F61 W63 S93 F94 C118 A119 | C51-F101 HydrophobicContact CB-CD1 3.96Å; C51-F101 HydrophobicContact CB-CD2 4.47Å; C51-F101 HydrophobicContact CB-CE1 3.48Å; C51-F101 VanDerWaalsContact CB-CE1 3.48Å; C51-F101 HydrophobicContact CB-CE2 4.06Å; C51-F101 HydrophobicContact CB-CG 4.42Å; C51-F101 HydrophobicContact CB-CZ 3.55Å; C51-F101 PolarHBondContact N-O 3.33Å; C51-F101 PolarHBondContact O-N 2.94Å; Y53-F101 HydrophobicContact CD1-CD1 4.04Å; Y53-F101 HydrophobicContact CD1-CE1 4.24Å; F61-F101 HydrophobicContact CB-CD2 4.03Å; F61-F101 HydrophobicContact CB-CE2 3.99Å; F61-F101 HydrophobicContact CB-CG 4.37Å; F61-F101 HydrophobicContact CB-CZ 4.3Å; F61-F101 AromaticContact CD1-CD1 3.73Å; F61-F101 HydrophobicContact CD1-CD1 3.73Å; F61-F101 AromaticContact CD1-CE1 3.58Å; F61-F101 HydrophobicContact CD1-CE1 3.58Å; F61-F101 HydrophobicContact CD1-CE2 4.42Å; F61-F101 HydrophobicContact CD1-CG 4.23Å; F61-F101 AromaticContact CD1-CZ 3.95Å; F61-F101 HydrophobicContact CD1-CZ 3.95Å; F61-F101 HydrophobicContact CE1-CD1 4.36Å; F61-F101 HydrophobicContact CE1-CE1 4.28Å; F61-F101 HydrophobicContact CG-CD1 4.48Å; W63-F101 AromaticContact CE2-CE2 3.88Å; W63-F101 HydrophobicContact CZ2-CD2 4.25Å; W63-F101 HydrophobicContact CZ2-CE2 4.18Å; W63-F101 AromaticContact NE1-CD2 3.35Å; W63-F101 VanDerWaalsContact NE1-CD2 3.35Å; W63-F101 AromaticContact NE1-CE2 3.46Å; S93-F101 CarbonylContact O-C 3.55Å; S93-F101 WeakPolarHBondContact O-CA 3.27Å; S93-F101 WeakPolarHBondContact O-CB 3.46Å; F94-F101 HydrophobicContact CD2-CB 3.69Å; F94-F101 HydrophobicContact CD2-CG 4.45Å; F94-F101 HydrophobicContact CE2-CB 4.37Å; F101-C118 HydrophobicContact CE2-CB 3.69Å; F101-C118 HydrophobicContact CZ-CB 3.64Å; F101-A119 WeakPolarHBondContact CZ-O 3.5Å |
| 102 | S | 97.8 | Very high | 96.9 | Very high | 17 Ų | 17 | 52.1 Ų | 52.1 | 12% | 0.119 | 30% | 0.296 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.8 | 146.3 | -173.8 | 49.5 | 0 | 0 | 0 | 0 | 110.9 | I49 N50 I92 S93 H104 | I49-S102 CarbonylContact O-C 3.6Å; I49-S102 WeakPolarHBondContact O-CA 3.3Å; I49-S102 WeakPolarHBondContact O-CB 3.37Å; N50-S102 WeakPolarHBondContact OD1-CB 3.29Å; I92-S102 CarbonylContact C-O 3.5Å; I92-S102 WeakPolarHBondContact CA-O 3.47Å; I92-S102 WeakPolarHBondContact CG2-O 3Å; S93-S102 PolarHBondContact N-O 3.45Å; S93-S102 PolarHBondContact O-N 2.93Å; S102-H104 PolarHBondContact OG-NE2 3.32Å |
| 103 | S | 97.6 | Very high | 96.9 | Very high | 1 Ų | 1 | 56.7 Ų | 56.7 | 1% | 0.007 | 33% | 0.328 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105 | 132.6 | 169.7 | -179.2 | 0 | 0 | 0 | 0 | 109.3 | I48 I49 W63 T91 | I48-S103 WeakPolarHBondContact CA-O 3.14Å; I49-S103 PolarHBondContact N-O 3.34Å; I49-S103 PolarHBondContact O-N 3.03Å; W63-S103 VanDerWaalsContact CE2-CB 3.47Å; T91-S103 CarbonylContact O-C 3.51Å; T91-S103 WeakPolarHBondContact O-CA 3.17Å |
| 104 | H | 97.5 | Very high | 96.9 | Very high | 40 Ų | 40 | 56.7 Ų | 56.7 | 19% | 0.185 | 33% | 0.329 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.1 | 126.7 | -178.4 | -58.3 | -118.7 | 0 | 0 | 0 | 108.2 | S47 F90 T91 S102 | S47-H104 CarbonylContact O-C 3.49Å; S47-H104 VanDerWaalsContact O-CA 3.3Å; S47-H104 WeakPolarHBondContact O-CA 3.43Å; F90-H104 CarbonylContact C-O 3.54Å; F90-H104 WeakPolarHBondContact CA-O 3.23Å; T91-H104 PolarHBondContact N-O 2.91Å; T91-H104 PolarHBondContact O-N 3.48Å; S102-H104 PolarHBondContact OG-NE2 3.32Å |
| 105 | I | 97.6 | Very high | 96.9 | Very high | 4 Ų | 4 | 59.4 Ų | 59.4 | 2% | 0.021 | 35% | 0.348 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.7 | 108.8 | 172.1 | -42.2 | 179.1 | 0 | 0 | 0 | 107.2 | I46 S47 F90 S108 D112 Y116 | I46-I105 WeakPolarHBondContact CA-O 3.31Å; S47-I105 PolarHBondContact N-O 2.78Å; S47-I105 PolarHBondContact O-N 3.01Å; F90-I105 HydrophobicContact CD1-CB 4.41Å; F90-I105 HydrophobicContact CD1-CD1 4.09Å; F90-I105 HydrophobicContact CD1-CG1 3.64Å; F90-I105 HydrophobicContact CD1-CG2 4.3Å; F90-I105 HydrophobicContact CE1-CB 4.3Å; F90-I105 HydrophobicContact CE1-CD1 3.39Å; F90-I105 HydrophobicContact CE1-CG1 3.47Å; F90-I105 VanDerWaalsContact CE1-CG1 3.47Å; F90-I105 HydrophobicContact CE1-CG2 3.98Å; F90-I105 HydrophobicContact CZ-CD1 4.18Å; F90-I105 HydrophobicContact CZ-CG1 4.43Å; F90-I105 HydrophobicContact CZ-CG2 4.17Å; I105-S108 PolarHBondContact O-OG 3.34Å; I105-D112 HydrophobicContact CD1-CB 4.47Å; I105-Y116 HydrophobicContact CD1-CE1 4.05Å; I105-Y116 HydrophobicContact CD1-CE2 4.25Å |
| 106 | M | 97.1 | Very high | 97 | Very high | 82 Ų | 82 | 56.7 Ų | 56.7 | 40% | 0.404 | 33% | 0.332 | S | S | . | . | S | Bend | trans | -79.2 | 146.6 | 176.2 | -55.9 | -56 | -70.5 | 0 | 0 | 109.9 | I46 R89 S108 | I46-M106 HydrophobicContact CD1-CE 3.79Å; I46-M106 HydrophobicContact CD1-SD 4.31Å; I46-M106 HydrophobicContact CG1-CE 4.04Å; I46-M106 HydrophobicContact CG1-SD 4.19Å; I46-M106 HydrophobicContact CG2-SD 3.89Å; R89-M106 WeakPolarHBondContact CB-O 3.37Å; R89-M106 WeakPolarHBondContact CD-O 3.42Å; R89-M106 PolarHBondContact NH1-O 3.34Å; R89-M106 PolarHBondContact O-N 3.23Å; M106-S108 PolarHBondContact O-N 2.97Å |
| 107 | D | 97.6 | Very high | 97.1 | Very high | 83 Ų | 83 | 53.7 Ų | 53.7 | 44% | 0.444 | 32% | 0.319 | S | S | . | . | S | Bend | trans | 49 | 59.7 | 179.1 | 179.8 | 46.5 | 0 | 0 | 0 | 111.7 | G44 R89 Q109 | G44-D107 WeakPolarHBondContact CA-OD1 3.47Å; R89-D107 PolarHBondContact NH1-O 3.2Å; D107-Q109 WeakPolarHBondContact O-CG 3.28Å; D107-Q109 PolarHBondContact O-N 3.1Å |
| 108 | S | 97.7 | Very high | 97.2 | Very high | 6 Ų | 6 | 49 Ų | 49 | 4% | 0.042 | 29% | 0.286 | C | S | . | . | trans | -57.7 | 135.9 | -173 | -60.8 | 0 | 0 | 0 | 0 | 111.5 | K43 G44 G45 S47 I105 M106 | K43-S108 CarbonylContact C-O 3.52Å; K43-S108 VanDerWaalsContact CA-O 3.32Å; K43-S108 WeakPolarHBondContact CA-O 3.37Å; G44-S108 PolarHBondContact N-O 3.39Å; G45-S108 VanDerWaalsContact O-CB 3.26Å; G45-S108 WeakPolarHBondContact O-CB 3.31Å; G45-S108 PolarHBondContact O-N 3.47Å; G45-S108 PolarHBondContact O-OG 2.9Å; S47-S108 PolarHBondContact N-OG 3.19Å; S47-S108 PolarHBondContact OG-OG 2.78Å; I105-S108 PolarHBondContact O-OG 3.34Å; M106-S108 PolarHBondContact O-N 2.97Å | ||
| 109 | Q | 97.8 | Very high | 97.3 | Very high | 86 Ų | 86 | 48.8 Ų | 48.8 | 40% | 0.402 | 28% | 0.284 | S | S | . | . | trans | -119 | 157.1 | -176.5 | -58.4 | -177.8 | 6.2 | 0 | 0 | 110.4 | D107 G111 D112 | D107-Q109 WeakPolarHBondContact O-CG 3.28Å; D107-Q109 PolarHBondContact O-N 3.1Å; Q109-G111 PolarHBondContact O-N 3.38Å; Q109-G111 VanDerWaalsContact O-N 3.1Å; Q109-D112 PolarHBondContact N-OD2 3.46Å; Q109-D112 WeakPolarHBondContact O-CB 3.41Å; Q109-D112 PolarHBondContact O-N 3.24Å | ||
| 110 | P | 96.6 | Very high | 97.3 | Very high | 105 Ų | 105 | 45.9 Ų | 45.9 | 68% | 0.682 | 28% | 0.275 | S | S | * | . | G | 310 helix | trans | -54.6 | -31.5 | 176.5 | -28 | 35.9 | 0 | 0 | 0 | 113.8 | D112 S113 | P110-D112 PolarHBondContact O-N 3.03Å; P110-S113 WeakPolarHBondContact O-CB 3.34Å; P110-S113 PolarHBondContact O-N 3.08Å |
| 111 | G | 95.9 | Very high | 97.2 | Very high | 53 Ų | 53 | 45.4 Ų | 45.4 | 55% | 0.546 | 28% | 0.282 | S | S | . | . | G | 310 helix | trans | -68.7 | -10.6 | 175.7 | 0 | 0 | 0 | 0 | 0 | 114.9 | F67 Q109 S113 | F67-G111 VanDerWaalsContact CE1-O 3.3Å; F67-G111 WeakPolarHBondContact CE1-O 3.4Å; Q109-G111 PolarHBondContact O-N 3.38Å; Q109-G111 VanDerWaalsContact O-N 3.1Å; G111-S113 VanDerWaalsContact C-N 3.28Å |
| 112 | D | 96.7 | Very high | 97.1 | Very high | 18 Ų | 18 | 47.5 Ų | 47.5 | 10% | 0.096 | 30% | 0.295 | C | S | . | . | G | 310 helix | trans | -84.4 | -4.7 | 175.3 | -59.4 | -33.8 | 0 | 0 | 0 | 112.5 | R89 I105 Q109 P110 A114 Y116 | R89-D112 IonicContact CZ-OD1 3.71Å; R89-D112 IonicContact CZ-OD2 3.28Å; R89-D112 VanDerWaalsContact CZ-OD2 3.28Å; R89-D112 IonicContact NH1-OD1 3.83Å; R89-D112 IonicContact NH1-OD2 2.73Å; R89-D112 PolarHBondContact NH1-OD2 3.28Å; R89-D112 IonicContact NH2-OD1 2.72Å; R89-D112 PolarHBondContact NH2-OD1 3.16Å; R89-D112 IonicContact NH2-OD2 2.93Å; R89-D112 PolarHBondContact NH2-OD2 3Å; I105-D112 HydrophobicContact CD1-CB 4.47Å; Q109-D112 PolarHBondContact N-OD2 3.46Å; Q109-D112 WeakPolarHBondContact O-CB 3.41Å; Q109-D112 PolarHBondContact O-N 3.24Å; P110-D112 PolarHBondContact O-N 3.03Å; D112-A114 PolarHBondContact O-N 3.31Å; D112-Y116 WeakPolarHBondContact O-CE2 3.43Å; D112-Y116 PolarHBondContact O-OH 3.38Å |
| 113 | S | 97.2 | Very high | 97.1 | Very high | 97 Ų | 97 | 49.1 Ų | 49.1 | 68% | 0.678 | 30% | 0.304 | S | S | * | . | trans | -66.5 | 106.8 | 178.9 | -167.4 | 0 | 0 | 0 | 0 | 110.5 | P110 G111 | P110-S113 WeakPolarHBondContact O-CB 3.34Å; P110-S113 PolarHBondContact O-N 3.08Å; G111-S113 VanDerWaalsContact C-N 3.28Å | ||
| 114 | A | 97.6 | Very high | 97.1 | Very high | 27 Ų | 27 | 51.8 Ų | 51.8 | 22% | 0.223 | 32% | 0.321 | C | S | . | . | S | Bend | trans | -159.1 | 167.4 | -175 | 0 | 0 | 0 | 0 | 0 | 110 | Q65 Q66 F67 D112 Y116 | Q65-A114 HydrophobicContact CG-CB 3.62Å; Q66-A114 WeakPolarHBondContact O-CB 3.02Å; F67-A114 HydrophobicContact CD1-CB 3.91Å; F67-A114 HydrophobicContact CE1-CB 3.97Å; D112-A114 PolarHBondContact O-N 3.31Å; A114-Y116 HydrophobicContact CB-CD2 4.39Å; A114-Y116 HydrophobicContact CB-CE2 3.81Å; A114-Y116 WeakPolarHBondContact O-CD2 3.4Å |
| 115 | T | 97.8 | Very high | 97.1 | Very high | 75 Ų | 75 | 52.5 Ų | 52.5 | 46% | 0.46 | 33% | 0.329 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -86 | 127.7 | 163.3 | -52.5 | 0 | 0 | 0 | 0 | 108.7 | Q66 F117 | Q66-T115 PolarHBondContact N-O 3.47Å; Q66-T115 PolarHBondContact O-N 3.16Å; T115-F117 HydrophobicContact CG2-CD2 4.34Å; T115-F117 HydrophobicContact CG2-CE1 3.84Å; T115-F117 HydrophobicContact CG2-CE2 3.59Å; T115-F117 HydrophobicContact CG2-CZ 3.31Å |
| 116 | Y | 97.7 | Very high | 97 | Very high | 18 Ų | 18 | 55.5 Ų | 55.5 | 7% | 0.071 | 35% | 0.348 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.9 | 137.7 | 177.1 | -65.9 | -95.9 | 0 | 0 | 0 | 109.6 | Q34 I49 Y64 Q65 L75 F90 I105 D112 A114 | Q34-Y116 PolarHBondContact NE2-O 3.48Å; Q34-Y116 PolarHBondContact OE1-O 3.31Å; I49-Y116 HydrophobicContact CD1-CD2 3.91Å; I49-Y116 HydrophobicContact CD1-CG 3.83Å; Y64-Y116 WeakPolarHBondContact O-CA 3.32Å; Q65-Y116 HydrophobicContact CB-CD1 4.21Å; Q65-Y116 HydrophobicContact CB-CE1 4.02Å; Q65-Y116 HydrophobicContact CG-CD1 4.26Å; Q65-Y116 HydrophobicContact CG-CE1 3.73Å; Q65-Y116 PolarHBondContact NE2-OH 3.16Å; L75-Y116 HydrophobicContact CD2-CD1 4.18Å; L75-Y116 HydrophobicContact CD2-CE1 3.93Å; F90-Y116 AromaticContact CE1-CE1 3.97Å; F90-Y116 HydrophobicContact CE1-CE1 3.97Å; I105-Y116 HydrophobicContact CD1-CE1 4.05Å; I105-Y116 HydrophobicContact CD1-CE2 4.25Å; D112-Y116 WeakPolarHBondContact O-CE2 3.43Å; D112-Y116 PolarHBondContact O-OH 3.38Å; A114-Y116 HydrophobicContact CB-CD2 4.39Å; A114-Y116 HydrophobicContact CB-CE2 3.81Å; A114-Y116 WeakPolarHBondContact O-CD2 3.4Å |
| 117 | F | 97.3 | Very high | 97 | Very high | 80 Ų | 80 | 53.7 Ų | 53.7 | 35% | 0.351 | 34% | 0.344 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -126 | 131 | 177.8 | -53.2 | -90.6 | 0 | 0 | 0 | 109.5 | W63 Y64 Q66 P72 T115 | W63-F117 CarbonylContact C-O 3.58Å; W63-F117 WeakPolarHBondContact CA-O 3.42Å; Y64-F117 PolarHBondContact N-O 3.21Å; Y64-F117 PolarHBondContact O-N 3.13Å; Q66-F117 HydrophobicContact CB-CE2 3.81Å; Q66-F117 VanDerWaalsContact OE1-CE2 3.23Å; P72-F117 HydrophobicContact CG-CE2 4.36Å; T115-F117 HydrophobicContact CG2-CD2 4.34Å; T115-F117 HydrophobicContact CG2-CE1 3.84Å; T115-F117 HydrophobicContact CG2-CE2 3.59Å; T115-F117 HydrophobicContact CG2-CZ 3.31Å |
| 118 | C | 97.4 | Very high | 97 | Very high | 17 Ų | 17 | 51.6 Ų | 51.6 | 12% | 0.115 | 34% | 0.337 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.8 | 151.8 | 161.8 | 69.6 | 0 | 0 | 0 | 0 | 111.1 | V32 Q34 C51 W63 F101 | V32-C118 VanDerWaalsContact CG1-SG 3.6Å; Q34-C118 PolarHBondContact OE1-SG 3.46Å; C51-C118 HydrophobicContact CB-CB 3.74Å; C51-C118 WeakPolarHBondContact CB-SG 3.36Å; C51-C118 WeakPolarHBondContact SG-CB 3.42Å; C51-C118 CovalentContact SG-SG 1.99Å; C51-C118 PolarHBondContact SG-SG 3.06Å; W63-C118 HydrophobicContact CD2-CB 4.01Å; W63-C118 HydrophobicContact CE3-CB 3.96Å; W63-C118 HydrophobicContact CH2-CB 3.75Å; W63-C118 HydrophobicContact CZ2-CB 3.79Å; W63-C118 HydrophobicContact CZ3-CB 3.84Å; F101-C118 HydrophobicContact CE2-CB 3.69Å; F101-C118 HydrophobicContact CZ-CB 3.64Å |
| 119 | A | 97.2 | Very high | 96.9 | Very high | 38 Ų | 38 | 55.2 Ų | 55.2 | 31% | 0.314 | 36% | 0.36 | S | S | . | . | trans | -138.1 | 166.7 | 167.3 | 0 | 0 | 0 | 0 | 0 | 109.8 | P62 F101 | P62-A119 WeakPolarHBondContact CD-O 3.25Å; P62-A119 HydrophobicContact CG-CB 4.12Å; P62-A119 PolarHBondContact O-N 3.05Å; F101-A119 WeakPolarHBondContact CZ-O 3.5Å | ||
| 120 | A | 96.6 | Very high | 96.9 | Very high | 18 Ų | 18 | 52.6 Ų | 52.6 | 15% | 0.149 | 36% | 0.357 | C | S | . | . | trans | -143.1 | 138.3 | 173.1 | 0 | 0 | 0 | 0 | 0 | 108.5 | V32 F58 Y60 F61 | V32-A120 HydrophobicContact CG2-CB 3.69Å; F58-A120 HydrophobicContact CB-CB 4.17Å; F58-A120 HydrophobicContact CD2-CB 3.37Å; F58-A120 HydrophobicContact CE2-CB 3.85Å; F58-A120 HydrophobicContact CG-CB 3.97Å; Y60-A120 WeakPolarHBondContact O-CA 3.45Å; F61-A120 HydrophobicContact CD1-CB 3.66Å; F61-A120 HydrophobicContact CE1-CB 3.61Å | ||
| 121 | S | 94.5 | Very high | 96.9 | Very high | 85 Ų | 85 | 47.8 Ų | 47.8 | 59% | 0.594 | 33% | 0.327 | S | S | * | . | trans | -146.5 | 0 | 179.9 | 58.9 | 0 | 0 | 0 | 0 | 111.4 | F58 D59 Y60 | F58-S121 CarbonylContact C-O 3.52Å; F58-S121 VanDerWaalsContact CA-O 3.32Å; F58-S121 WeakPolarHBondContact CA-O 3.45Å; F58-S121 VanDerWaalsContact CD1-OXT 3.26Å; F58-S121 WeakPolarHBondContact CD1-OXT 3.23Å; D59-S121 PolarHBondContact N-O 3.43Å; Y60-S121 PolarHBondContact N-O 3.43Å; Y60-S121 PolarHBondContact O-N 3.46Å |
Retrieved 121 of 121 residues in 89.2 ms
(Link to these results)