| 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 | 57.7 | Low | 71.6 | Confident | 207 Ų | 207 | 123.3 Ų | 123.3 | 100% | 1.02 | 64% | 0.639 | S | S | * | * | 0 | -53.6 | 0 | -117.7 | 173 | 177.9 | 0 | 0 | 112.6 | H3 K4 L5 | M1-H3 VanDerWaalsContact C-N 3.28Å; M1-H3 PolarHBondContact O-N 3.1Å; M1-H3 VanDerWaalsContact O-N 3.12Å; M1-K4 PolarHBondContact O-N 3.36Å; M1-L5 PolarHBondContact O-N 2.95Å | |||
| 2 | L | 65.1 | Low | 71.9 | Confident | 146 Ų | 146 | 121.3 Ų | 121.3 | 76% | 0.764 | 63% | 0.63 | S | S | * | * | H | α-helix | trans | -48 | -42.5 | -177.3 | -83.6 | 79.4 | 0 | 0 | 0 | 114.7 | K4 L5 Y6 | L2-K4 PolarHBondContact O-N 3.47Å; L2-L5 WeakPolarHBondContact O-CB 3.14Å; L2-L5 PolarHBondContact O-N 2.95Å; L2-Y6 PolarHBondContact O-N 2.96Å |
| 3 | H | 65.9 | Low | 72.2 | Confident | 170 Ų | 170 | 118.6 Ų | 118.6 | 79% | 0.787 | 62% | 0.615 | S | S | * | * | H | α-helix | trans | -63.2 | -25.1 | -179 | -149.6 | -72.7 | 0 | 0 | 0 | 114.4 | M1 S7 | M1-H3 VanDerWaalsContact C-N 3.28Å; M1-H3 PolarHBondContact O-N 3.1Å; M1-H3 VanDerWaalsContact O-N 3.12Å; H3-S7 PolarHBondContact O-N 3.46Å |
| 4 | K | 71.1 | Confident | 72.4 | Confident | 179 Ų | 179 | 121.2 Ų | 121.2 | 78% | 0.778 | 62% | 0.615 | S | S | * | * | H | α-helix | trans | -79.3 | -37.1 | 172 | -73.3 | -166.7 | 174.1 | -170.7 | 0 | 111.8 | M1 L2 S8 | M1-K4 PolarHBondContact O-N 3.36Å; L2-K4 PolarHBondContact O-N 3.47Å; K4-S8 WeakPolarHBondContact O-CB 3.17Å; K4-S8 PolarHBondContact O-N 3.33Å |
| 5 | L | 71.6 | Confident | 72.6 | Confident | 106 Ų | 106 | 118.1 Ų | 118.1 | 56% | 0.555 | 61% | 0.608 | S | S | * | * | H | α-helix | trans | -64.4 | -42.9 | 173.9 | -79.8 | 157.3 | 0 | 0 | 0 | 111.6 | M1 L2 S8 L9 | M1-L5 PolarHBondContact O-N 2.95Å; L2-L5 WeakPolarHBondContact O-CB 3.14Å; L2-L5 PolarHBondContact O-N 2.95Å; L5-S8 PolarHBondContact O-N 3.33Å; L5-L9 PolarHBondContact O-N 3.27Å |
| 6 | Y | 76.7 | Confident | 72.5 | Confident | 169 Ų | 169 | 117.9 Ų | 117.9 | 66% | 0.663 | 61% | 0.608 | S | S | * | * | H | α-helix | trans | -65 | -45.1 | 179.7 | -155.3 | -104.2 | 0 | 0 | 0 | 112.1 | L2 S8 L9 I10 | L2-Y6 PolarHBondContact O-N 2.96Å; Y6-S8 VanDerWaalsContact C-N 3.34Å; Y6-S8 PolarHBondContact O-N 3.05Å; Y6-L9 PolarHBondContact O-N 3.15Å; Y6-I10 HydrophobicContact CD1-CD1 3.63Å; Y6-I10 HydrophobicContact CD1-CG1 4.49Å; Y6-I10 HydrophobicContact CE1-CD1 3.64Å; Y6-I10 HydrophobicContact CE1-CG1 4.5Å; Y6-I10 WeakPolarHBondContact O-CG1 3.44Å; Y6-I10 PolarHBondContact O-N 3.03Å |
| 7 | S | 74 | Confident | 72.3 | Confident | 80 Ų | 80 | 117.1 Ų | 117.1 | 56% | 0.559 | 60% | 0.604 | S | S | * | * | H | α-helix | trans | -63.1 | -39.4 | 174.4 | -171 | 0 | 0 | 0 | 0 | 112.2 | H3 I10 G11 | H3-S7 PolarHBondContact O-N 3.46Å; S7-I10 PolarHBondContact O-N 3.06Å; S7-G11 PolarHBondContact O-N 3.01Å |
| 8 | S | 75.1 | Confident | 72.3 | Confident | 77 Ų | 77 | 116.7 Ų | 116.7 | 54% | 0.538 | 60% | 0.603 | S | S | . | * | H | α-helix | trans | -66.9 | -36.5 | 175.5 | -165 | 0 | 0 | 0 | 0 | 113.1 | K4 L5 Y6 L12 | K4-S8 WeakPolarHBondContact O-CB 3.17Å; K4-S8 PolarHBondContact O-N 3.33Å; L5-S8 PolarHBondContact O-N 3.33Å; Y6-S8 VanDerWaalsContact C-N 3.34Å; Y6-S8 PolarHBondContact O-N 3.05Å; S8-L12 WeakPolarHBondContact O-CB 3.45Å; S8-L12 PolarHBondContact O-N 2.93Å; S8-L12 VanDerWaalsContact O-N 3.17Å |
| 9 | L | 73.2 | Confident | 72.1 | Confident | 106 Ų | 106 | 114.8 Ų | 114.8 | 56% | 0.555 | 60% | 0.598 | S | S | * | * | H | α-helix | trans | -67.1 | -43.5 | 174.4 | -108.9 | 93.8 | 0 | 0 | 0 | 111.5 | L5 Y6 G11 L12 I13 | L5-L9 PolarHBondContact O-N 3.27Å; Y6-L9 PolarHBondContact O-N 3.15Å; L9-G11 VanDerWaalsContact C-N 3.34Å; L9-G11 PolarHBondContact O-N 3.41Å; L9-L12 PolarHBondContact O-N 3.46Å; L9-I13 WeakPolarHBondContact O-CB 3.42Å; L9-I13 VanDerWaalsContact O-CG1 3.29Å; L9-I13 WeakPolarHBondContact O-CG1 3.29Å; L9-I13 PolarHBondContact O-N 3.3Å |
| 10 | I | 79.8 | Confident | 71.9 | Confident | 74 Ų | 74 | 111.9 Ų | 111.9 | 38% | 0.379 | 59% | 0.588 | S | S | . | * | H | α-helix | trans | -59.4 | -46.7 | 177 | -71.1 | 168 | 0 | 0 | 0 | 110.2 | Y6 S7 L12 I13 Y14 | Y6-I10 HydrophobicContact CD1-CD1 3.63Å; Y6-I10 HydrophobicContact CD1-CG1 4.49Å; Y6-I10 HydrophobicContact CE1-CD1 3.64Å; Y6-I10 HydrophobicContact CE1-CG1 4.5Å; Y6-I10 WeakPolarHBondContact O-CG1 3.44Å; Y6-I10 PolarHBondContact O-N 3.03Å; S7-I10 PolarHBondContact O-N 3.06Å; I10-L12 VanDerWaalsContact C-N 3.3Å; I10-L12 PolarHBondContact O-N 2.72Å; I10-I13 PolarHBondContact O-N 2.94Å; I10-Y14 HydrophobicContact CG2-CD2 3.69Å; I10-Y14 HydrophobicContact CG2-CE2 3.78Å; I10-Y14 WeakPolarHBondContact O-CD2 3.27Å; I10-Y14 PolarHBondContact O-N 3.32Å |
| 11 | G | 77.6 | Confident | 71.7 | Confident | 42 Ų | 42 | 112 Ų | 112 | 43% | 0.433 | 59% | 0.589 | S | S | . | * | H | α-helix | trans | -57.6 | -41 | 175.8 | 0 | 0 | 0 | 0 | 0 | 113.3 | S7 L9 Y14 S15 | S7-G11 PolarHBondContact O-N 3.01Å; L9-G11 VanDerWaalsContact C-N 3.34Å; L9-G11 PolarHBondContact O-N 3.41Å; G11-Y14 PolarHBondContact O-N 2.93Å; G11-S15 PolarHBondContact O-N 3.47Å; G11-S15 PolarHBondContact O-OG 3.24Å |
| 12 | L | 75.5 | Confident | 72.4 | Confident | 100 Ų | 100 | 105.3 Ų | 105.3 | 52% | 0.524 | 56% | 0.562 | S | S | . | * | H | α-helix | trans | -70 | -37.1 | 179.6 | -133.6 | 153.7 | 0 | 0 | 0 | 112.4 | S8 L9 I10 S15 L16 | S8-L12 WeakPolarHBondContact O-CB 3.45Å; S8-L12 PolarHBondContact O-N 2.93Å; S8-L12 VanDerWaalsContact O-N 3.17Å; L9-L12 PolarHBondContact O-N 3.46Å; I10-L12 VanDerWaalsContact C-N 3.3Å; I10-L12 PolarHBondContact O-N 2.72Å; L12-S15 WeakPolarHBondContact CA-OG 3.47Å; L12-S15 PolarHBondContact O-OG 2.89Å; L12-L16 HydrophobicContact CD2-CD1 3.75Å; L12-L16 HydrophobicContact CD2-CG 4.41Å; L12-L16 WeakPolarHBondContact O-CG 3.28Å; L12-L16 PolarHBondContact O-N 2.91Å |
| 13 | I | 76 | Confident | 72.5 | Confident | 86 Ų | 86 | 103.2 Ų | 103.2 | 44% | 0.441 | 55% | 0.551 | S | S | . | * | H | α-helix | trans | -65.9 | -45.5 | 174 | -71 | 164.5 | 0 | 0 | 0 | 110.7 | L9 I10 L16 L17 | L9-I13 WeakPolarHBondContact O-CB 3.42Å; L9-I13 VanDerWaalsContact O-CG1 3.29Å; L9-I13 WeakPolarHBondContact O-CG1 3.29Å; L9-I13 PolarHBondContact O-N 3.3Å; I10-I13 PolarHBondContact O-N 2.94Å; I13-L16 PolarHBondContact O-N 3.37Å; I13-L17 HydrophobicContact CG2-CD1 3.58Å; I13-L17 HydrophobicContact CG2-CG 4.46Å; I13-L17 WeakPolarHBondContact O-CB 3.09Å; I13-L17 WeakPolarHBondContact O-CG 3.35Å; I13-L17 PolarHBondContact O-N 3.46Å |
| 14 | Y | 75 | Confident | 72.4 | Confident | 155 Ų | 155 | 100.5 Ų | 100.5 | 61% | 0.608 | 54% | 0.542 | S | S | * | . | H | α-helix | trans | -63.7 | -41.6 | 175.6 | -88.4 | -79.3 | 0 | 0 | 0 | 112.3 | I10 G11 L16 L17 L18 | I10-Y14 HydrophobicContact CG2-CD2 3.69Å; I10-Y14 HydrophobicContact CG2-CE2 3.78Å; I10-Y14 WeakPolarHBondContact O-CD2 3.27Å; I10-Y14 PolarHBondContact O-N 3.32Å; G11-Y14 PolarHBondContact O-N 2.93Å; Y14-L16 VanDerWaalsContact C-N 3.27Å; Y14-L16 PolarHBondContact O-N 3.36Å; Y14-L17 PolarHBondContact O-N 3.42Å; Y14-L18 HydrophobicContact CD1-CD1 3.74Å; Y14-L18 VanDerWaalsContact O-CD1 3.29Å; Y14-L18 WeakPolarHBondContact O-CD1 3.36Å; Y14-L18 PolarHBondContact O-N 3.44Å; Y14-L18 VanDerWaalsContact O-N 3.11Å |
| 15 | S | 74.6 | Confident | 72.1 | Confident | 74 Ų | 74 | 96.7 Ų | 96.7 | 52% | 0.517 | 53% | 0.53 | S | S | . | . | H | α-helix | trans | -66.4 | -25.9 | 178.8 | 59.5 | 0 | 0 | 0 | 0 | 114.2 | G11 L12 P19 | G11-S15 PolarHBondContact O-N 3.47Å; G11-S15 PolarHBondContact O-OG 3.24Å; L12-S15 WeakPolarHBondContact CA-OG 3.47Å; L12-S15 PolarHBondContact O-OG 2.89Å; S15-P19 VanDerWaalsContact O-CD 3.23Å; S15-P19 WeakPolarHBondContact O-CD 3.37Å; S15-P19 WeakPolarHBondContact O-CG 3.29Å |
| 16 | L | 71.3 | Confident | 71.7 | Confident | 116 Ų | 116 | 96.9 Ų | 96.9 | 61% | 0.607 | 53% | 0.531 | S | S | * | . | H | α-helix | trans | -86.9 | -35.4 | 176.6 | -72.8 | 168.1 | 0 | 0 | 0 | 112.5 | L12 I13 Y14 S20 | L12-L16 HydrophobicContact CD2-CD1 3.75Å; L12-L16 HydrophobicContact CD2-CG 4.41Å; L12-L16 WeakPolarHBondContact O-CG 3.28Å; L12-L16 PolarHBondContact O-N 2.91Å; I13-L16 PolarHBondContact O-N 3.37Å; Y14-L16 VanDerWaalsContact C-N 3.27Å; Y14-L16 PolarHBondContact O-N 3.36Å; L16-S20 PolarHBondContact O-OG 3.45Å |
| 17 | L | 69.4 | Low | 70.8 | Confident | 104 Ų | 104 | 94.9 Ų | 94.9 | 55% | 0.545 | 53% | 0.526 | S | S | . | . | H | α-helix | trans | -80.6 | -35.5 | -176.6 | -74.1 | 171 | 0 | 0 | 0 | 114.3 | I13 Y14 S20 L21 | I13-L17 HydrophobicContact CG2-CD1 3.58Å; I13-L17 HydrophobicContact CG2-CG 4.46Å; I13-L17 WeakPolarHBondContact O-CB 3.09Å; I13-L17 WeakPolarHBondContact O-CG 3.35Å; I13-L17 PolarHBondContact O-N 3.46Å; Y14-L17 PolarHBondContact O-N 3.42Å; L17-S20 WeakPolarHBondContact CA-OG 3.33Å; L17-S20 PolarHBondContact O-N 3.31Å; L17-S20 PolarHBondContact O-OG 2.83Å; L17-L21 WeakPolarHBondContact O-CB 3.5Å; L17-L21 PolarHBondContact O-N 2.78Å |
| 18 | L | 71.3 | Confident | 69.9 | Low | 110 Ų | 110 | 93.8 Ų | 93.8 | 58% | 0.576 | 52% | 0.518 | S | S | * | . | H | α-helix | trans | -57.2 | -51.1 | 179.2 | -99.4 | 79 | 0 | 0 | 0 | 114.3 | Y14 S20 L21 S22 | Y14-L18 HydrophobicContact CD1-CD1 3.74Å; Y14-L18 VanDerWaalsContact O-CD1 3.29Å; Y14-L18 WeakPolarHBondContact O-CD1 3.36Å; Y14-L18 PolarHBondContact O-N 3.44Å; Y14-L18 VanDerWaalsContact O-N 3.11Å; L18-S20 VanDerWaalsContact C-N 3.34Å; L18-S20 PolarHBondContact O-N 2.82Å; L18-L21 PolarHBondContact O-N 3.43Å; L18-S22 PolarHBondContact O-N 3.49Å |
| 19 | P | 68.4 | Low | 69 | Low | 80 Ų | 80 | 96.2 Ų | 96.2 | 52% | 0.519 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -66 | -35.9 | -178.1 | 24.3 | -33 | 0 | 0 | 0 | 112.4 | S15 S22 L23 | S15-P19 VanDerWaalsContact O-CD 3.23Å; S15-P19 WeakPolarHBondContact O-CD 3.37Å; S15-P19 WeakPolarHBondContact O-CG 3.29Å; P19-S22 PolarHBondContact O-N 2.88Å; P19-L23 PolarHBondContact O-N 3.46Å |
| 20 | S | 68.9 | Low | 68.2 | Low | 56 Ų | 56 | 97.5 Ų | 97.5 | 39% | 0.392 | 52% | 0.522 | S | S | . | . | H | α-helix | trans | -66.9 | -37.3 | 175.1 | 45.7 | 0 | 0 | 0 | 0 | 113.3 | L16 L17 L18 L23 L24 | L16-S20 PolarHBondContact O-OG 3.45Å; L17-S20 WeakPolarHBondContact CA-OG 3.33Å; L17-S20 PolarHBondContact O-N 3.31Å; L17-S20 PolarHBondContact O-OG 2.83Å; L18-S20 VanDerWaalsContact C-N 3.34Å; L18-S20 PolarHBondContact O-N 2.82Å; S20-L23 PolarHBondContact O-N 3.29Å; S20-L24 PolarHBondContact O-N 2.93Å; S20-L24 VanDerWaalsContact O-N 3.11Å |
| 21 | L | 68.6 | Low | 66.9 | Low | 115 Ų | 115 | 97.8 Ų | 97.8 | 60% | 0.602 | 53% | 0.528 | S | S | * | . | H | α-helix | trans | -70.8 | -37.1 | 177.5 | -152.4 | 77.2 | 0 | 0 | 0 | 111.5 | L17 L18 L24 L25 | L17-L21 WeakPolarHBondContact O-CB 3.5Å; L17-L21 PolarHBondContact O-N 2.78Å; L18-L21 PolarHBondContact O-N 3.43Å; L21-L24 PolarHBondContact O-N 3.48Å; L21-L25 WeakPolarHBondContact O-CG 3.41Å; L21-L25 PolarHBondContact O-N 3.25Å |
| 22 | S | 70.6 | Confident | 65.7 | Low | 67 Ų | 67 | 98.7 Ų | 98.7 | 47% | 0.469 | 53% | 0.527 | S | S | . | . | H | α-helix | trans | -64.3 | -40.7 | 174.2 | -164.6 | 0 | 0 | 0 | 0 | 112.1 | L18 P19 L25 L26 | L18-S22 PolarHBondContact O-N 3.49Å; P19-S22 PolarHBondContact O-N 2.88Å; S22-L25 PolarHBondContact O-N 3.07Å; S22-L26 WeakPolarHBondContact O-CG 3.22Å; S22-L26 PolarHBondContact O-N 2.81Å |
| 23 | L | 67.8 | Low | 64.5 | Low | 101 Ų | 101 | 100.4 Ų | 100.4 | 53% | 0.529 | 53% | 0.531 | S | S | . | . | H | α-helix | trans | -64.7 | -43 | 176.4 | -151.3 | 79.1 | 0 | 0 | 0 | 111.8 | P19 S20 L25 L26 F27 | P19-L23 PolarHBondContact O-N 3.46Å; S20-L23 PolarHBondContact O-N 3.29Å; L23-L25 VanDerWaalsContact C-N 3.33Å; L23-L25 PolarHBondContact O-N 2.89Å; L23-L26 PolarHBondContact O-N 3.29Å; L23-F27 HydrophobicContact CD2-CE2 4.01Å; L23-F27 HydrophobicContact CG-CD2 4.16Å; L23-F27 HydrophobicContact CG-CE2 3.92Å; L23-F27 VanDerWaalsContact O-CD2 3.28Å; L23-F27 WeakPolarHBondContact O-CD2 3.37Å; L23-F27 PolarHBondContact O-N 2.97Å |
| 24 | L | 63.4 | Low | 63.3 | Low | 113 Ų | 113 | 101 Ų | 101 | 59% | 0.592 | 53% | 0.534 | S | S | * | . | H | α-helix | trans | -61.8 | -37.4 | 175.1 | -91.1 | 158.9 | 0 | 0 | 0 | 112.9 | S20 L21 S28 | S20-L24 PolarHBondContact O-N 2.93Å; S20-L24 VanDerWaalsContact O-N 3.11Å; L21-L24 PolarHBondContact O-N 3.48Å; L24-S28 WeakPolarHBondContact O-CB 3.27Å; L24-S28 PolarHBondContact O-N 3.48Å; L24-S28 PolarHBondContact O-OG 3.31Å |
| 25 | L | 64.8 | Low | 61.8 | Low | 99 Ų | 99 | 96.7 Ų | 96.7 | 52% | 0.518 | 53% | 0.527 | S | S | . | . | H | α-helix | trans | -67.6 | -42.6 | 174.1 | -74.7 | 168.3 | 0 | 0 | 0 | 111.6 | L21 S22 L23 S28 F29 | L21-L25 WeakPolarHBondContact O-CG 3.41Å; L21-L25 PolarHBondContact O-N 3.25Å; S22-L25 PolarHBondContact O-N 3.07Å; L23-L25 VanDerWaalsContact C-N 3.33Å; L23-L25 PolarHBondContact O-N 2.89Å; L25-S28 PolarHBondContact O-N 3.4Å; L25-S28 VanDerWaalsContact O-N 3.14Å; L25-F29 WeakPolarHBondContact O-CD2 3.47Å; L25-F29 PolarHBondContact O-N 3.02Å |
| 26 | L | 64.3 | Low | 60.6 | Low | 110 Ų | 110 | 98.6 Ų | 98.6 | 58% | 0.576 | 53% | 0.53 | S | S | * | . | H | α-helix | trans | -60.4 | -46.6 | 175.7 | -74 | 165.9 | 0 | 0 | 0 | 112.1 | S22 L23 S28 F29 E30 | S22-L26 WeakPolarHBondContact O-CG 3.22Å; S22-L26 PolarHBondContact O-N 2.81Å; L23-L26 PolarHBondContact O-N 3.29Å; L26-S28 VanDerWaalsContact C-N 3.26Å; L26-S28 PolarHBondContact O-N 3.13Å; L26-F29 PolarHBondContact O-N 3.44Å; L26-F29 VanDerWaalsContact O-N 3.16Å; L26-E30 PolarHBondContact O-N 2.92Å |
| 27 | F | 56.7 | Low | 59.3 | Low | 127 Ų | 127 | 103.4 Ų | 103.4 | 56% | 0.557 | 54% | 0.54 | S | S | * | . | H | α-helix | trans | -63.4 | -29.4 | 174.1 | -81.6 | -65.9 | 0 | 0 | 0 | 113.5 | L23 T31 | L23-F27 HydrophobicContact CD2-CE2 4.01Å; L23-F27 HydrophobicContact CG-CD2 4.16Å; L23-F27 HydrophobicContact CG-CE2 3.92Å; L23-F27 VanDerWaalsContact O-CD2 3.28Å; L23-F27 WeakPolarHBondContact O-CD2 3.37Å; L23-F27 PolarHBondContact O-N 2.97Å; F27-T31 WeakPolarHBondContact O-CG2 3.4Å; F27-T31 PolarHBondContact O-N 3.21Å; F27-T31 PolarHBondContact O-OG1 3.08Å |
| 28 | S | 56.3 | Low | 58.3 | Low | 58 Ų | 58 | 104.6 Ų | 104.6 | 41% | 0.406 | 55% | 0.545 | S | S | . | . | H | α-helix | trans | -75.7 | -30.5 | 175 | -56.9 | 0 | 0 | 0 | 0 | 112.5 | L24 L25 L26 T31 S32 | L24-S28 WeakPolarHBondContact O-CB 3.27Å; L24-S28 PolarHBondContact O-N 3.48Å; L24-S28 PolarHBondContact O-OG 3.31Å; L25-S28 PolarHBondContact O-N 3.4Å; L25-S28 VanDerWaalsContact O-N 3.14Å; L26-S28 VanDerWaalsContact C-N 3.26Å; L26-S28 PolarHBondContact O-N 3.13Å; S28-T31 PolarHBondContact O-OG1 3.32Å; S28-S32 WeakPolarHBondContact O-CB 3.42Å; S28-S32 PolarHBondContact O-N 3.14Å; S28-S32 PolarHBondContact O-OG 3.34Å |
| 29 | F | 54.7 | Low | 56.8 | Low | 128 Ų | 128 | 105 Ų | 105 | 56% | 0.561 | 55% | 0.548 | S | S | * | . | H | α-helix | trans | -75 | -45 | 175.3 | -93.7 | -79.6 | 0 | 0 | 0 | 112.1 | L25 L26 T31 S32 F33 | L25-F29 WeakPolarHBondContact O-CD2 3.47Å; L25-F29 PolarHBondContact O-N 3.02Å; L26-F29 PolarHBondContact O-N 3.44Å; L26-F29 VanDerWaalsContact O-N 3.16Å; F29-T31 PolarHBondContact O-N 3.1Å; F29-S32 PolarHBondContact O-N 3.47Å; F29-F33 HydrophobicContact CD1-CE2 4.08Å; F29-F33 VanDerWaalsContact O-CD2 3.32Å; F29-F33 WeakPolarHBondContact O-CD2 3.43Å; F29-F33 PolarHBondContact O-N 3.04Å |
| 30 | E | 56.5 | Low | 55.2 | Low | 132 Ų | 132 | 103.9 Ų | 103.9 | 62% | 0.617 | 55% | 0.551 | S | S | * | * | H | α-helix | trans | -62 | -43.9 | 176.8 | -75.1 | -162 | 150.1 | 0 | 0 | 112.3 | L26 S32 F33 I34 | L26-E30 PolarHBondContact O-N 2.92Å; E30-S32 VanDerWaalsContact C-N 3.27Å; E30-S32 PolarHBondContact O-N 3.01Å; E30-F33 PolarHBondContact O-N 3Å; E30-I34 VanDerWaalsContact O-CG1 3.3Å; E30-I34 WeakPolarHBondContact O-CG1 3.12Å; E30-I34 PolarHBondContact O-N 3.28Å |
| 31 | T | 54.2 | Low | 53.7 | Low | 80 Ų | 80 | 110 Ų | 110 | 49% | 0.491 | 57% | 0.574 | S | S | . | * | H | α-helix | trans | -64.9 | -31.6 | 176.9 | 52 | 0 | 0 | 0 | 0 | 112.5 | F27 S28 F29 S35 | F27-T31 WeakPolarHBondContact O-CG2 3.4Å; F27-T31 PolarHBondContact O-N 3.21Å; F27-T31 PolarHBondContact O-OG1 3.08Å; S28-T31 PolarHBondContact O-OG1 3.32Å; F29-T31 PolarHBondContact O-N 3.1Å; T31-S35 WeakPolarHBondContact O-CB 3.48Å; T31-S35 PolarHBondContact O-N 2.89Å; T31-S35 PolarHBondContact O-OG 3.35Å |
| 32 | S | 52.2 | Low | 52 | Low | 61 Ų | 61 | 109.2 Ų | 109.2 | 43% | 0.427 | 58% | 0.578 | S | S | . | * | H | α-helix | trans | -69.9 | -41.5 | 173.5 | -61.9 | 0 | 0 | 0 | 0 | 112.7 | S28 F29 E30 S35 I36 | S28-S32 WeakPolarHBondContact O-CB 3.42Å; S28-S32 PolarHBondContact O-N 3.14Å; S28-S32 PolarHBondContact O-OG 3.34Å; F29-S32 PolarHBondContact O-N 3.47Å; E30-S32 VanDerWaalsContact C-N 3.27Å; E30-S32 PolarHBondContact O-N 3.01Å; S32-S35 WeakPolarHBondContact O-CB 3.24Å; S32-S35 PolarHBondContact O-N 3.09Å; S32-I36 WeakPolarHBondContact O-CG1 3.39Å; S32-I36 PolarHBondContact O-N 3.14Å; S32-I36 VanDerWaalsContact O-N 3.09Å |
| 33 | F | 49.1 | Very low | 50.2 | Low | 136 Ų | 136 | 112 Ų | 112 | 60% | 0.596 | 59% | 0.591 | S | S | * | * | H | α-helix | trans | -67.1 | -38.1 | 176.2 | -84.9 | -70.5 | 0 | 0 | 0 | 112.7 | F29 E30 S35 I36 W37 | F29-F33 HydrophobicContact CD1-CE2 4.08Å; F29-F33 VanDerWaalsContact O-CD2 3.32Å; F29-F33 WeakPolarHBondContact O-CD2 3.43Å; F29-F33 PolarHBondContact O-N 3.04Å; E30-F33 PolarHBondContact O-N 3Å; F33-S35 VanDerWaalsContact C-N 3.31Å; F33-S35 PolarHBondContact O-N 2.89Å; F33-I36 PolarHBondContact O-N 3.46Å; F33-W37 PolarHBondContact O-N 2.84Å; F33-W37 VanDerWaalsContact O-N 3.12Å |
| 34 | I | 50.9 | Low | 48.6 | Very low | 99 Ų | 99 | 115.4 Ų | 115.4 | 51% | 0.508 | 61% | 0.611 | S | S | . | * | H | α-helix | trans | -63 | -39.3 | 172.8 | -66.7 | 164.4 | 0 | 0 | 0 | 110.5 | E30 I36 W37 I38 | E30-I34 VanDerWaalsContact O-CG1 3.3Å; E30-I34 WeakPolarHBondContact O-CG1 3.12Å; E30-I34 PolarHBondContact O-N 3.28Å; I34-I36 VanDerWaalsContact C-N 3.33Å; I34-I36 PolarHBondContact O-N 2.86Å; I34-W37 PolarHBondContact O-N 3.43Å; I34-I38 HydrophobicContact CG2-CD1 3.72Å; I34-I38 WeakPolarHBondContact O-CG1 3.47Å; I34-I38 PolarHBondContact O-N 3.24Å |
| 35 | S | 43.7 | Very low | 47.1 | Very low | 65 Ų | 65 | 115.1 Ų | 115.1 | 46% | 0.455 | 62% | 0.618 | S | S | . | * | H | α-helix | trans | -65.6 | -32.3 | 177 | -58.5 | 0 | 0 | 0 | 0 | 113.6 | T31 S32 F33 N39 | T31-S35 WeakPolarHBondContact O-CB 3.48Å; T31-S35 PolarHBondContact O-N 2.89Å; T31-S35 PolarHBondContact O-OG 3.35Å; S32-S35 WeakPolarHBondContact O-CB 3.24Å; S32-S35 PolarHBondContact O-N 3.09Å; F33-S35 VanDerWaalsContact C-N 3.31Å; F33-S35 PolarHBondContact O-N 2.89Å; S35-N39 PolarHBondContact O-ND2 3.48Å |
| 36 | I | 49.8 | Very low | 45.6 | Very low | 113 Ų | 113 | 118.5 Ų | 118.5 | 58% | 0.579 | 64% | 0.635 | S | S | * | * | H | α-helix | trans | -77.7 | -36.1 | 179.1 | -69.5 | 164.8 | 0 | 0 | 0 | 111.3 | S32 F33 I34 G40 | S32-I36 WeakPolarHBondContact O-CG1 3.39Å; S32-I36 PolarHBondContact O-N 3.14Å; S32-I36 VanDerWaalsContact O-N 3.09Å; F33-I36 PolarHBondContact O-N 3.46Å; I34-I36 VanDerWaalsContact C-N 3.33Å; I34-I36 PolarHBondContact O-N 2.86Å; I36-G40 PolarHBondContact O-N 3.26Å |
| 37 | W | 44.6 | Very low | 44.4 | Very low | 218 Ų | 218 | 118.6 Ų | 118.6 | 83% | 0.826 | 65% | 0.646 | S | S | * | * | H | α-helix | trans | -70.5 | -32 | 176.2 | -113.3 | 79.4 | 0 | 0 | 0 | 113.4 | F33 I34 | F33-W37 PolarHBondContact O-N 2.84Å; F33-W37 VanDerWaalsContact O-N 3.12Å; I34-W37 PolarHBondContact O-N 3.43Å |
| 38 | I | 47 | Very low | 43.3 | Very low | 128 Ų | 128 | 120.3 Ų | 120.3 | 66% | 0.656 | 66% | 0.66 | S | S | * | * | H | α-helix | trans | -78 | -23 | -179 | -66.6 | 170 | 0 | 0 | 0 | 112.6 | I34 | I34-I38 HydrophobicContact CG2-CD1 3.72Å; I34-I38 WeakPolarHBondContact O-CG1 3.47Å; I34-I38 PolarHBondContact O-N 3.24Å |
| 39 | N | 40 | Very low | 42 | Very low | 118 Ų | 118 | 123.2 Ų | 123.2 | 63% | 0.631 | 68% | 0.681 | S | S | * | * | S | Bend | trans | -105.7 | 5.1 | 179.4 | -67.3 | -72.3 | 0 | 0 | 0 | 114.3 | S35 Q41 | S35-N39 PolarHBondContact O-ND2 3.48Å; N39-Q41 PolarHBondContact O-N 3.01Å |
| 40 | G | 35.7 | Very low | 40.9 | Very low | 57 Ų | 57 | 121.3 Ų | 121.3 | 59% | 0.588 | 69% | 0.689 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -81.7 | -0.7 | -172.4 | 0 | 0 | 0 | 0 | 0 | 117 | I36 | I36-G40 PolarHBondContact O-N 3.26Š|
| 41 | Q | 37.6 | Very low | 39.5 | Very low | 185 Ų | 185 | 120.5 Ų | 120.5 | 86% | 0.864 | 70% | 0.698 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -102.9 | 8.9 | -171.5 | -68.3 | -162.4 | 1.4 | 0 | 0 | 115.7 | N39 | N39-Q41 PolarHBondContact O-N 3.01Š|
| 42 | S | 32.7 | Very low | 38.3 | Very low | 99 Ų | 99 | 122.6 Ų | 122.6 | 69% | 0.692 | 71% | 0.706 | S | S | * | * | S | Bend | trans | -136.2 | 42.2 | -170.4 | 69 | 0 | 0 | 0 | 0 | 115.9 | ||
| 43 | V | 33.5 | Very low | 37.1 | Very low | 124 Ų | 124 | 126.2 Ų | 126.2 | 75% | 0.752 | 73% | 0.726 | S | S | * | * | trans | -154.5 | 108.9 | 165 | -94.9 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 44 | N | 33.6 | Very low | 36.1 | Very low | 174 Ų | 174 | 129.2 Ų | 129.2 | 93% | 0.93 | 73% | 0.733 | S | S | * | * | trans | -179.6 | 61.8 | 146 | -92 | -20.6 | 0 | 0 | 0 | 110.3 | ||||
| 45 | S | 30.8 | Very low | 35 | Very low | 107 Ų | 107 | 132.8 Ų | 132.8 | 75% | 0.748 | 75% | 0.748 | S | S | * | * | trans | -119.7 | 115.5 | 161.1 | 51.7 | 0 | 0 | 0 | 0 | 108.4 | ||||
| 46 | L | 34.4 | Very low | 34.2 | Very low | 169 Ų | 169 | 135.9 Ų | 135.9 | 89% | 0.885 | 77% | 0.766 | S | S | * | * | trans | 156.8 | 103.2 | 144 | -103.9 | 77.7 | 0 | 0 | 0 | 110.5 | ||||
| 47 | S | 38.8 | Very low | 33.4 | Very low | 113 Ų | 113 | 141.1 Ų | 141.1 | 79% | 0.79 | 78% | 0.779 | S | S | * | * | trans | -171.2 | 102.3 | 140.5 | 39.9 | 0 | 0 | 0 | 0 | 112 | ||||
| 48 | N | 32.7 | Very low | 33.2 | Very low | 162 Ų | 162 | 135.5 Ų | 135.5 | 87% | 0.866 | 77% | 0.772 | S | S | * | * | trans | 32.1 | 114.5 | 148.8 | -54.2 | -17.5 | 0 | 0 | 0 | 118.2 | ||||
| 49 | S | 30.5 | Very low | 33.4 | Very low | 119 Ų | 119 | 133 Ų | 133 | 83% | 0.832 | 77% | 0.765 | S | S | * | * | -176.9 | 153.5 | 79.3 | 40.3 | 0 | 0 | 0 | 0 | 113.9 | |||||
| 50 | A | 30.8 | Very low | 34.2 | Very low | 88 Ų | 88 | 131.1 Ų | 131.1 | 73% | 0.727 | 76% | 0.757 | S | S | * | * | trans | 46.6 | 83.4 | 157.2 | 0 | 0 | 0 | 0 | 0 | 120.4 | ||||
| 51 | S | 26.9 | Very low | 35.8 | Very low | 116 Ų | 116 | 134 Ų | 134 | 81% | 0.811 | 75% | 0.75 | S | S | * | * | 33.9 | 94.9 | 127.9 | 60.3 | 0 | 0 | 0 | 0 | 120.5 | |||||
| 52 | D | 28.6 | Very low | 37.9 | Very low | 123 Ų | 123 | 126 Ų | 126 | 66% | 0.658 | 71% | 0.713 | S | S | * | * | -147.3 | 126.6 | 122 | -167.3 | 6.8 | 0 | 0 | 0 | 109.6 | R54 | D52-R54 VanDerWaalsContact C-N 3.34Å; D52-R54 PolarHBondContact O-N 2.77Å; D52-R54 IonicContact OD2-NE 3.45Å; D52-R54 PolarHBondContact OD2-NE 3.41Å | |||
| 53 | T | 26.6 | Very low | 40.3 | Very low | 138 Ų | 138 | 121.3 Ų | 121.3 | 85% | 0.847 | 68% | 0.681 | S | S | * | * | trans | -94.6 | 62.4 | -172 | -36.1 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 54 | R | 30 | Very low | 42.9 | Very low | 198 Ų | 198 | 117.7 Ų | 117.7 | 75% | 0.747 | 65% | 0.654 | S | S | * | * | trans | -100.5 | 100.8 | 172.5 | -67.8 | -173.8 | -175.1 | -150.7 | -4.8 | 110.3 | D52 | D52-R54 VanDerWaalsContact C-N 3.34Å; D52-R54 PolarHBondContact O-N 2.77Å; D52-R54 IonicContact OD2-NE 3.45Å; D52-R54 PolarHBondContact OD2-NE 3.41Å | ||
| 55 | Q | 27.2 | Very low | 45.4 | Very low | 175 Ų | 175 | 110.4 Ų | 110.4 | 82% | 0.818 | 62% | 0.615 | S | S | * | * | trans | -50.3 | 142.3 | 160.9 | -71 | 177 | -47.8 | 0 | 0 | 109.1 | R57 | Q55-R57 PolarHBondContact O-N 3.31Š| ||
| 56 | P | 27.4 | Very low | 48.1 | Very low | 129 Ų | 129 | 106 Ų | 106 | 84% | 0.838 | 58% | 0.583 | S | S | * | * | trans | -60.8 | 108.6 | 168.4 | 26.4 | -32.2 | 0 | 0 | 0 | 107.6 | S58 | P56-S58 PolarHBondContact O-N 2.94Š| ||
| 57 | R | 31.5 | Very low | 50.7 | Low | 224 Ų | 224 | 102.8 Ų | 102.8 | 85% | 0.845 | 56% | 0.559 | S | S | * | * | P | Polyproline II helix | trans | -55.7 | 131.4 | 172.8 | -93.2 | -173.9 | 166.9 | 112.8 | -1.9 | 107.6 | Q55 | Q55-R57 PolarHBondContact O-N 3.31Š|
| 58 | S | 40 | Very low | 53.2 | Low | 99 Ų | 99 | 100.6 Ų | 100.6 | 69% | 0.692 | 54% | 0.541 | S | S | * | . | P | Polyproline II helix | trans | -48.8 | 131.8 | 166.7 | 48.6 | 0 | 0 | 0 | 0 | 108.9 | P56 T60 | P56-S58 PolarHBondContact O-N 2.94Å; S58-T60 PolarHBondContact O-N 3.33Å; S58-T60 VanDerWaalsContact O-N 3.12Å |
| 59 | P | 52.1 | Low | 56 | Low | 77 Ų | 77 | 95.2 Ų | 95.2 | 50% | 0.5 | 52% | 0.523 | S | S | . | . | P | Polyproline II helix | trans | -58.9 | 121.7 | -176.2 | 23.7 | -33.4 | 0 | 0 | 0 | 109.3 | R61 | P59-R61 PolarHBondContact O-N 2.71Š|
| 60 | T | 57.9 | Low | 58.8 | Low | 77 Ų | 77 | 93.9 Ų | 93.9 | 47% | 0.472 | 50% | 0.504 | S | S | . | . | trans | -58.8 | 105.5 | 180 | -48.5 | 0 | 0 | 0 | 0 | 108.9 | S58 L62 V127 | S58-T60 PolarHBondContact O-N 3.33Å; S58-T60 VanDerWaalsContact O-N 3.12Å; T60-L62 HydrophobicContact CG2-CD2 4.11Å; T60-L62 HydrophobicContact CG2-CG 4.33Å; T60-L62 PolarHBondContact O-N 3.31Å; T60-V127 WeakPolarHBondContact O-CG1 3Å | ||
| 61 | R | 67.8 | Low | 61.7 | Low | 117 Ų | 117 | 93.4 Ų | 93.4 | 44% | 0.442 | 50% | 0.495 | S | S | . | . | trans | -80.3 | 104.8 | -178.1 | -71.7 | -168.9 | 175.4 | -170.6 | 0.4 | 109.5 | P59 L195 | P59-R61 PolarHBondContact O-N 2.71Å; R61-L195 HydrophobicContact CB-CB 4.37Å; R61-L195 HydrophobicContact CB-CD1 4.21Å; R61-L195 PolarHBondContact O-N 3.01Å | ||
| 62 | L | 81.1 | Confident | 64.7 | Low | 17 Ų | 17 | 89 Ų | 89 | 9% | 0.089 | 46% | 0.463 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.9 | 143.5 | 177.4 | -62.1 | 173 | 0 | 0 | 0 | 110.7 | T60 Y64 E128 M129 S130 D192 G193 | T60-L62 HydrophobicContact CG2-CD2 4.11Å; T60-L62 HydrophobicContact CG2-CG 4.33Å; T60-L62 PolarHBondContact O-N 3.31Å; L62-Y64 HydrophobicContact CB-CE2 3.99Å; L62-E128 PolarHBondContact N-O 2.91Å; L62-M129 HydrophobicContact CB-CB 4.44Å; L62-M129 HydrophobicContact CB-CG 4.15Å; L62-M129 HydrophobicContact CD1-CE 4.12Å; L62-M129 HydrophobicContact CD1-CG 4.34Å; L62-M129 HydrophobicContact CD1-SD 4.15Å; L62-M129 CarbonylContact O-C 3.57Å; L62-M129 WeakPolarHBondContact O-CA 3.25Å; L62-S130 PolarHBondContact O-N 3.11Å; L62-D192 WeakPolarHBondContact CD2-O 3.34Å; L62-G193 CarbonylContact C-O 3.56Å; L62-G193 VanDerWaalsContact CA-O 3.3Å; L62-G193 WeakPolarHBondContact CA-O 3.39Å |
| 63 | G | 84.4 | Confident | 67.7 | Low | 1 Ų | 1 | 87 Ų | 87 | 1% | 0.01 | 45% | 0.452 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.3 | 131.2 | -178 | 0 | 0 | 0 | 0 | 0 | 112 | S130 G193 | G63-S130 CarbonylContact C-O 3.53Å; G63-S130 VanDerWaalsContact CA-O 3.29Å; G63-S130 WeakPolarHBondContact CA-O 3.04Å; G63-G193 PolarHBondContact N-O 3.3Å; G63-G193 WeakPolarHBondContact O-CA 3.33Å |
| 64 | Y | 87 | Confident | 70.7 | Confident | 49 Ų | 49 | 80.5 Ų | 80.5 | 19% | 0.192 | 41% | 0.412 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.8 | 128.4 | -178.8 | -57.8 | -84.5 | 0 | 0 | 0 | 110.3 | L62 L72 L74 M129 S130 V131 R132 | L62-Y64 HydrophobicContact CB-CE2 3.99Å; Y64-L72 HydrophobicContact CD1-CD1 4.01Å; Y64-L72 HydrophobicContact CD1-CD2 4.34Å; Y64-L72 HydrophobicContact CD2-CD2 4.36Å; Y64-L72 HydrophobicContact CG-CD1 4.36Å; Y64-L72 HydrophobicContact CG-CD2 3.85Å; Y64-L74 HydrophobicContact CD2-CD2 3.57Å; Y64-L74 HydrophobicContact CE2-CD2 3.49Å; Y64-L74 VanDerWaalsContact CE2-CD2 3.49Å; Y64-L74 HydrophobicContact CG-CD2 4.23Å; Y64-M129 HydrophobicContact CE2-CB 4.31Å; Y64-M129 HydrophobicContact CE2-SD 4.3Å; Y64-S130 PolarHBondContact N-O 3.31Å; Y64-V131 HydrophobicContact CD2-CG2 4.26Å; Y64-R132 PolarHBondContact O-N 2.93Å |
| 65 | L | 86.7 | Confident | 73.6 | Confident | 20 Ų | 20 | 75.9 Ų | 75.9 | 11% | 0.105 | 40% | 0.397 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.6 | 117.5 | 172.6 | -174.8 | 68.2 | 0 | 0 | 0 | 109.3 | R132 I134 C160 V187 T189 | L65-R132 WeakPolarHBondContact CA-O 3.4Å; L65-R132 HydrophobicContact CD1-CB 3.81Å; L65-R132 HydrophobicContact CD1-CG 3.59Å; L65-I134 HydrophobicContact CD1-CD1 3.77Å; L65-I134 HydrophobicContact CD1-CG1 3.83Å; L65-I134 HydrophobicContact CD1-CG2 4.07Å; L65-I134 HydrophobicContact CD2-CD1 3.93Å; L65-I134 HydrophobicContact CG-CD1 3.96Å; L65-I134 HydrophobicContact CG-CG1 4.26Å; L65-C160 HydrophobicContact CD1-CB 3.92Å; L65-C160 HydrophobicContact CD2-CB 4.34Å; L65-C160 WeakPolarHBondContact CD2-SG 3.24Å; L65-V187 HydrophobicContact CB-CG2 4.3Å; L65-V187 HydrophobicContact CD1-CG2 4.24Å; L65-T189 HydrophobicContact CB-CG2 3.94Å; L65-T189 HydrophobicContact CD2-CG2 4.07Å; L65-T189 HydrophobicContact CG-CG2 4.42Å |
| 66 | I | 88.2 | Confident | 76.6 | Confident | 14 Ų | 14 | 67.5 Ų | 67.5 | 7% | 0.072 | 36% | 0.358 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.5 | 158.9 | -176.8 | 64.7 | 177.1 | 0 | 0 | 0 | 111.9 | L72 A106 V131 R132 V133 I134 | I66-L72 HydrophobicContact CD1-CB 3.79Å; I66-L72 HydrophobicContact CD1-CD2 4.08Å; I66-L72 HydrophobicContact CG2-CB 4.24Å; I66-L72 HydrophobicContact CG2-CD1 4.25Å; I66-L72 HydrophobicContact CG2-CD2 4.05Å; I66-L72 HydrophobicContact CG2-CG 4.41Å; I66-A106 HydrophobicContact CD1-CB 3.54Å; I66-A106 HydrophobicContact CG1-CB 4.32Å; I66-V131 HydrophobicContact CD1-CG1 4.06Å; I66-V131 HydrophobicContact CG1-CG1 4.35Å; I66-R132 PolarHBondContact N-O 2.92Å; I66-V133 HydrophobicContact CD1-CG2 4.01Å; I66-V133 HydrophobicContact CG1-CB 4.37Å; I66-V133 HydrophobicContact CG1-CG1 4.36Å; I66-V133 HydrophobicContact CG1-CG2 3.86Å; I66-V133 WeakPolarHBondContact O-CA 3.49Å; I66-I134 PolarHBondContact O-N 3.29Å |
| 67 | R | 88.9 | Confident | 79.4 | Confident | 102 Ų | 102 | 64.6 Ų | 64.6 | 39% | 0.385 | 34% | 0.339 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.6 | 151.1 | 176.4 | -62.7 | 177 | -174.1 | -102.1 | -7.2 | 111 | G69 Q70 I134 F136 | R67-G69 PolarHBondContact O-N 3.32Å; R67-Q70 HydrophobicContact CB-CG 3.94Å; R67-Q70 WeakPolarHBondContact O-CB 3.33Å; R67-Q70 PolarHBondContact O-N 2.85Å; R67-I134 WeakPolarHBondContact CA-O 3.26Å; R67-F136 HydrophobicContact CG-CD2 3.71Å; R67-F136 HydrophobicContact CG-CE2 3.48Å; R67-F136 VanDerWaalsContact CG-CE2 3.48Å; R67-F136 VanDerWaalsContact NH2-CZ 3.28Å |
| 68 | V | 91.6 | Very high | 81.9 | Confident | 68 Ų | 68 | 56.6 Ų | 56.6 | 41% | 0.412 | 31% | 0.313 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -51.8 | 133.1 | 165.1 | 176.7 | 0 | 0 | 0 | 0 | 109.8 | Q70 A106 L108 V133 I134 D135 | V68-Q70 VanDerWaalsContact C-N 3.31Å; V68-Q70 PolarHBondContact O-N 3.28Å; V68-A106 CarbonylContact C-O 3.54Å; V68-A106 VanDerWaalsContact CA-O 3.32Å; V68-A106 WeakPolarHBondContact CA-O 3.28Å; V68-L108 HydrophobicContact CG2-CD2 3.61Å; V68-L108 HydrophobicContact CG2-CG 4.01Å; V68-V133 HydrophobicContact CB-CG1 4.48Å; V68-V133 HydrophobicContact CG2-CG1 3.86Å; V68-I134 PolarHBondContact N-O 2.97Å; V68-I134 VanDerWaalsContact N-O 3.14Å; V68-D135 HydrophobicContact CG2-CB 4.05Å |
| 69 | G | 91.3 | Very high | 84.1 | Confident | 48 Ų | 48 | 58.6 Ų | 58.6 | 50% | 0.495 | 32% | 0.316 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 82.6 | -11.3 | -176.7 | 0 | 0 | 0 | 0 | 0 | 115.7 | R67 A106 | R67-G69 PolarHBondContact O-N 3.32Å; G69-A106 PolarHBondContact N-O 2.92Å |
| 70 | Q | 89.9 | Confident | 85.7 | Confident | 91 Ų | 91 | 55.6 Ų | 55.6 | 43% | 0.425 | 30% | 0.298 | S | S | . | . | trans | -73.2 | 158 | 170.9 | -74.1 | -178 | -34.5 | 0 | 0 | 111.2 | R67 V68 A106 | R67-Q70 HydrophobicContact CB-CG 3.94Å; R67-Q70 WeakPolarHBondContact O-CB 3.33Å; R67-Q70 PolarHBondContact O-N 2.85Å; V68-Q70 VanDerWaalsContact C-N 3.31Å; V68-Q70 PolarHBondContact O-N 3.28Å; Q70-A106 WeakPolarHBondContact O-CB 3.44Å; Q70-A106 PolarHBondContact O-N 2.66Å | ||
| 71 | S | 91.4 | Very high | 87.1 | Confident | 78 Ų | 78 | 57.2 Ų | 57.2 | 55% | 0.545 | 31% | 0.308 | S | S | . | . | trans | -110.4 | 139.9 | 171.5 | -57.4 | 0 | 0 | 0 | 0 | 109.8 | I103 S105 | S71-I103 CarbonylContact C-O 3.6Å; S71-I103 WeakPolarHBondContact CA-O 3.48Å; S71-I103 WeakPolarHBondContact CB-O 3.48Å; S71-S105 PolarHBondContact OG-N 2.89Å | ||
| 72 | L | 89.9 | Confident | 88.2 | Confident | 25 Ų | 25 | 58.5 Ų | 58.5 | 13% | 0.131 | 32% | 0.317 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.3 | 133.6 | -179 | 177.8 | 64.4 | 0 | 0 | 0 | 109.1 | Y64 I66 L74 T102 I103 V131 | Y64-L72 HydrophobicContact CD1-CD1 4.01Å; Y64-L72 HydrophobicContact CD1-CD2 4.34Å; Y64-L72 HydrophobicContact CD2-CD2 4.36Å; Y64-L72 HydrophobicContact CG-CD1 4.36Å; Y64-L72 HydrophobicContact CG-CD2 3.85Å; I66-L72 HydrophobicContact CD1-CB 3.79Å; I66-L72 HydrophobicContact CD1-CD2 4.08Å; I66-L72 HydrophobicContact CG2-CB 4.24Å; I66-L72 HydrophobicContact CG2-CD1 4.25Å; I66-L72 HydrophobicContact CG2-CD2 4.05Å; I66-L72 HydrophobicContact CG2-CG 4.41Å; L72-L74 HydrophobicContact CD2-CD2 3.66Å; L72-L74 HydrophobicContact CG-CD2 3.96Å; L72-T102 CarbonylContact O-C 3.58Å; L72-T102 WeakPolarHBondContact O-CA 3.11Å; L72-I103 PolarHBondContact N-O 3.02Å; L72-I103 PolarHBondContact O-N 2.88Å; L72-V131 HydrophobicContact CD2-CG1 3.86Å; L72-V131 HydrophobicContact CD2-CG2 3.94Å |
| 73 | N | 91.4 | Very high | 88.8 | Confident | 81 Ų | 81 | 58.9 Ų | 58.9 | 43% | 0.433 | 32% | 0.317 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.5 | 107.5 | 173.9 | -165.1 | 22.7 | 0 | 0 | 0 | 109.7 | F100 T102 | N73-F100 WeakPolarHBondContact ND2-CD1 3.49Å; N73-T102 PolarHBondContact OD1-OG1 2.96Å |
| 74 | L | 90.2 | Very high | 89.2 | Confident | 0 Ų | 0 | 62.5 Ų | 62.5 | 0% | 0 | 33% | 0.334 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -78.7 | 132.3 | 172.8 | -56.8 | -175.6 | 0 | 0 | 0 | 108.7 | Y64 L72 W85 F100 Y101 Y114 M129 V131 | Y64-L74 HydrophobicContact CD2-CD2 3.57Å; Y64-L74 HydrophobicContact CE2-CD2 3.49Å; Y64-L74 VanDerWaalsContact CE2-CD2 3.49Å; Y64-L74 HydrophobicContact CG-CD2 4.23Å; L72-L74 HydrophobicContact CD2-CD2 3.66Å; L72-L74 HydrophobicContact CG-CD2 3.96Å; L74-W85 HydrophobicContact CB-CH2 3.56Å; L74-W85 HydrophobicContact CB-CZ2 4.23Å; L74-W85 HydrophobicContact CB-CZ3 3.95Å; L74-W85 HydrophobicContact CD1-CH2 4.43Å; L74-W85 HydrophobicContact CD1-CZ3 3.96Å; L74-F100 CarbonylContact O-C 3.6Å; L74-F100 VanDerWaalsContact O-CA 3.29Å; L74-F100 WeakPolarHBondContact O-CA 3.3Å; L74-Y101 HydrophobicContact CD1-CD1 4.15Å; L74-Y101 PolarHBondContact N-O 2.85Å; L74-Y101 PolarHBondContact O-N 3Å; L74-Y114 HydrophobicContact CD1-CD1 4.44Å; L74-Y114 HydrophobicContact CD1-CD2 4.27Å; L74-Y114 HydrophobicContact CD1-CG 4Å; L74-M129 HydrophobicContact CB-SD 4.24Å; L74-V131 HydrophobicContact CD1-CG2 3.99Å; L74-V131 HydrophobicContact CD2-CG2 3.94Å; L74-V131 HydrophobicContact CG-CG2 4.5Å |
| 75 | K | 90.2 | Very high | 89.5 | Confident | 101 Ų | 101 | 60.1 Ų | 60.1 | 44% | 0.439 | 32% | 0.324 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.7 | 127.9 | 173.9 | -176.4 | -171 | 175.1 | -172.8 | 0 | 109.2 | Q99 F100 M129 | K75-Q99 HydrophobicContact CG-CG 4.31Å; K75-F100 HydrophobicContact CB-CD1 3.84Å; K75-F100 HydrophobicContact CB-CE1 3.7Å; K75-F100 HydrophobicContact CD-CE1 3.68Å; K75-F100 HydrophobicContact CD-CZ 3.88Å; K75-F100 HydrophobicContact CG-CD1 3.91Å; K75-F100 HydrophobicContact CG-CE1 3.45Å; K75-F100 VanDerWaalsContact CG-CE1 3.45Å; K75-F100 HydrophobicContact CG-CZ 3.91Å; K75-M129 WeakPolarHBondContact O-CE 3.34Å |
| 76 | C | 90.2 | Very high | 89.8 | Confident | 0 Ų | 0 | 59.2 Ų | 59.2 | 0% | 0 | 32% | 0.319 | C | S | . | . | trans | -65.1 | 124.6 | 169.3 | -154.9 | 0 | 0 | 0 | 0 | 109.8 | Y83 W85 Q99 C116 | C76-Y83 HydrophobicContact CB-CD1 3.85Å; C76-Y83 HydrophobicContact CB-CE1 3.97Å; C76-W85 HydrophobicContact CB-CZ2 4.04Å; C76-Q99 HydrophobicContact CB-CG 4.24Å; C76-Q99 PolarHBondContact N-O 2.89Å; C76-C116 HydrophobicContact CB-CB 3.9Å; C76-C116 WeakPolarHBondContact CB-SG 3.33Å; C76-C116 WeakPolarHBondContact SG-CB 3.31Å; C76-C116 CovalentContact SG-SG 2.03Å; C76-C116 PolarHBondContact SG-SG 2.84Å | ||
| 77 | P | 86.2 | Confident | 90 | Very high | 68 Ų | 68 | 59.4 Ų | 59.4 | 44% | 0.442 | 32% | 0.321 | S | S | . | . | S | Bend | trans | -76.7 | -24.5 | -172.9 | 31.2 | -36.8 | 0 | 0 | 0 | 112.9 | V127 | P77-V127 HydrophobicContact CG-CB 4.32Å; P77-V127 HydrophobicContact CG-CG1 4Å; P77-V127 HydrophobicContact CG-CG2 3.82Å |
| 78 | D | 84.7 | Confident | 89.9 | Confident | 55 Ų | 55 | 56.9 Ų | 56.9 | 29% | 0.294 | 32% | 0.317 | S | S | . | . | S | Bend | trans | -75.6 | 145.5 | 174.6 | -66.8 | -25.9 | 0 | 0 | 0 | 110.6 | Y83 A118 S125 | D78-Y83 WeakPolarHBondContact O-CE1 3.29Å; D78-Y83 PolarHBondContact O-OH 3.27Å; D78-A118 HydrophobicContact CB-CB 4.05Å; D78-S125 WeakPolarHBondContact OD2-CB 3.34Å; D78-S125 PolarHBondContact OD2-OG 3.43Å |
| 79 | D | 84.8 | Confident | 89.5 | Confident | 141 Ų | 141 | 59.5 Ų | 59.5 | 75% | 0.754 | 33% | 0.328 | S | S | * | . | trans | -98.4 | 119.7 | 172 | -162.7 | 16.6 | 0 | 0 | 0 | 109.4 | Y83 | D79-Y83 PolarHBondContact OD1-OH 2.97Š| ||
| 80 | A | 86.6 | Confident | 89.4 | Confident | 15 Ų | 15 | 61.6 Ų | 61.6 | 12% | 0.124 | 33% | 0.325 | C | S | . | . | trans | -148.1 | 163.3 | -168.7 | 0 | 0 | 0 | 0 | 0 | 111.7 | Y83 A118 | A80-Y83 HydrophobicContact CB-CE1 3.94Å; A80-Y83 PolarHBondContact N-OH 3.12Å; A80-Y83 WeakPolarHBondContact O-CE2 3.28Å; A80-Y83 VanDerWaalsContact O-CZ 3.31Å; A80-Y83 PolarHBondContact O-OH 3.29Å; A80-Y83 VanDerWaalsContact O-OH 3.11Å; A80-A118 HydrophobicContact CB-CB 3.74Å | ||
| 81 | V | 87.1 | Confident | 89.2 | Confident | 111 Ų | 111 | 61 Ų | 61 | 67% | 0.673 | 33% | 0.329 | S | S | * | . | S | Bend | trans | -82.7 | -36 | -179.3 | -176 | 0 | 0 | 0 | 0 | 111.1 | V119 | V81-V119 PolarHBondContact N-O 3.16Å; V81-V119 VanDerWaalsContact N-O 3.17Å |
| 82 | F | 91 | Very high | 88.9 | Confident | 143 Ų | 143 | 62.8 Ų | 62.8 | 63% | 0.627 | 34% | 0.341 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -125 | 137.9 | 177.2 | -59.6 | -82.9 | 0 | 0 | 0 | 110.4 | V119 | F82-V119 HydrophobicContact CB-CB 4.27Å; F82-V119 PolarHBondContact N-O 3.36Å; F82-V119 PolarHBondContact O-N 3.47Å |
| 83 | Y | 92.8 | Very high | 88.9 | Confident | 26 Ų | 26 | 66.3 Ų | 66.3 | 10% | 0.102 | 36% | 0.357 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.9 | 150.3 | 173.8 | -56.8 | -88.5 | 0 | 0 | 0 | 108.9 | C76 D78 D79 A80 E97 E98 Q99 H117 A118 | C76-Y83 HydrophobicContact CB-CD1 3.85Å; C76-Y83 HydrophobicContact CB-CE1 3.97Å; D78-Y83 WeakPolarHBondContact O-CE1 3.29Å; D78-Y83 PolarHBondContact O-OH 3.27Å; D79-Y83 PolarHBondContact OD1-OH 2.97Å; A80-Y83 HydrophobicContact CB-CE1 3.94Å; A80-Y83 PolarHBondContact N-OH 3.12Å; A80-Y83 WeakPolarHBondContact O-CE2 3.28Å; A80-Y83 VanDerWaalsContact O-CZ 3.31Å; A80-Y83 PolarHBondContact O-OH 3.29Å; A80-Y83 VanDerWaalsContact O-OH 3.11Å; Y83-E97 CarbonylContact O-C 3.55Å; Y83-E97 VanDerWaalsContact O-CA 3.25Å; Y83-E97 WeakPolarHBondContact O-CA 3.44Å; Y83-E98 WeakPolarHBondContact CB-O 3.5Å; Y83-Q99 HydrophobicContact CD1-CB 4.28Å; Y83-Q99 HydrophobicContact CD1-CG 4.32Å; Y83-Q99 HydrophobicContact CD2-CB 3.93Å; Y83-Q99 HydrophobicContact CE1-CB 4.03Å; Y83-Q99 HydrophobicContact CE1-CG 3.74Å; Y83-Q99 HydrophobicContact CE2-CB 3.67Å; Y83-Q99 HydrophobicContact CE2-CG 4.17Å; Y83-Q99 HydrophobicContact CG-CB 4.23Å; Y83-Q99 PolarHBondContact OH-NE2 3.17Å; Y83-Q99 VanDerWaalsContact OH-NE2 3.09Å; Y83-H117 CarbonylContact C-O 3.49Å; Y83-H117 WeakPolarHBondContact CA-O 3.31Å; Y83-A118 HydrophobicContact CD1-CB 4.28Å; Y83-A118 HydrophobicContact CE1-CB 4.41Å |
| 84 | Q | 92.4 | Very high | 88.8 | Confident | 76 Ų | 76 | 66.2 Ų | 66.2 | 36% | 0.355 | 36% | 0.356 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -147.1 | 116.5 | 172.7 | -178.2 | -172 | -18.2 | 0 | 0 | 108.8 | I94 H117 | Q84-I94 HydrophobicContact CG-CD1 4.18Å; Q84-I94 HydrophobicContact CG-CG1 4.09Å; Q84-I94 HydrophobicContact CG-CG2 4.1Å; Q84-H117 HydrophobicContact CB-CB 4.34Å; Q84-H117 PolarHBondContact N-O 3.43Å; Q84-H117 PolarHBondContact O-N 2.97Å |
| 85 | W | 93.7 | Very high | 88.8 | Confident | 0 Ų | 0 | 68.3 Ų | 68.3 | 0% | 0 | 37% | 0.367 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.6 | 134.7 | 175.1 | -68.5 | 88.3 | 0 | 0 | 0 | 111 | L74 C76 I94 L95 S96 E98 Y101 I115 C116 M129 | L74-W85 HydrophobicContact CB-CH2 3.56Å; L74-W85 HydrophobicContact CB-CZ2 4.23Å; L74-W85 HydrophobicContact CB-CZ3 3.95Å; L74-W85 HydrophobicContact CD1-CH2 4.43Å; L74-W85 HydrophobicContact CD1-CZ3 3.96Å; C76-W85 HydrophobicContact CB-CZ2 4.04Å; W85-I94 CarbonylContact O-C 3.51Å; W85-I94 WeakPolarHBondContact O-CA 3.28Å; W85-L95 HydrophobicContact CB-CB 4.02Å; W85-L95 PolarHBondContact O-N 2.59Å; W85-S96 PolarHBondContact N-O 2.85Å; W85-E98 VanDerWaalsContact CD1-O 3.27Å; W85-E98 PolarHBondContact NE1-O 2.72Å; W85-Y101 HydrophobicContact CD2-CG 4.49Å; W85-Y101 HydrophobicContact CG-CG 4.46Å; W85-I115 WeakPolarHBondContact CA-O 3.2Å; W85-C116 HydrophobicContact CD2-CB 4.04Å; W85-C116 HydrophobicContact CE3-CB 3.91Å; W85-C116 HydrophobicContact CH2-CB 3.83Å; W85-C116 HydrophobicContact CZ2-CB 3.94Å; W85-C116 HydrophobicContact CZ3-CB 3.8Å; W85-M129 HydrophobicContact CH2-CE 3.62Å; W85-M129 HydrophobicContact CH2-SD 3.68Å; W85-M129 HydrophobicContact CZ3-CE 4.09Å; W85-M129 HydrophobicContact CZ3-SD 3.88Å |
| 86 | S | 93.7 | Very high | 88.9 | Confident | 0 Ų | 0 | 64.5 Ų | 64.5 | 0% | 0 | 35% | 0.353 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -142 | 169.8 | 174.9 | 67.1 | 0 | 0 | 0 | 0 | 110.9 | Y114 I115 | S86-Y114 CarbonylContact O-C 3.13Å; S86-Y114 WeakPolarHBondContact O-CA 3.27Å; S86-I115 PolarHBondContact N-O 2.82Å; S86-I115 PolarHBondContact O-N 3.39Å |
| 87 | L | 91.6 | Very high | 89 | Confident | 19 Ų | 19 | 71.2 Ų | 71.2 | 10% | 0.099 | 38% | 0.384 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.4 | 142.6 | 167.1 | -64.6 | 175.5 | 0 | 0 | 0 | 109.4 | N89 Q90 L95 N112 Y114 | L87-N89 PolarHBondContact O-N 3.16Å; L87-N89 VanDerWaalsContact O-N 3.17Å; L87-Q90 HydrophobicContact CB-CB 4.23Å; L87-Q90 CarbonylContact O-C 3.51Å; L87-Q90 PolarHBondContact O-N 2.89Å; L87-L95 HydrophobicContact CD2-CD1 4.06Å; L87-L95 HydrophobicContact CG-CD1 4.09Å; L87-N112 HydrophobicContact CD2-CB 3.99Å; L87-Y114 HydrophobicContact CD2-CD1 3.64Å; L87-Y114 HydrophobicContact CD2-CD2 4.44Å; L87-Y114 HydrophobicContact CD2-CE1 3.48Å; L87-Y114 VanDerWaalsContact CD2-CE1 3.48Å; L87-Y114 HydrophobicContact CD2-CE2 4.3Å; L87-Y114 HydrophobicContact CD2-CG 4.13Å |
| 88 | V | 87.2 | Confident | 89.3 | Confident | 49 Ų | 49 | 74.5 Ų | 74.5 | 30% | 0.297 | 39% | 0.394 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -52.1 | -40.9 | 173.6 | 173.3 | 0 | 0 | 0 | 0 | 111.3 | Q90 R113 I115 E128 | V88-Q90 VanDerWaalsContact C-N 3.34Å; V88-R113 HydrophobicContact CB-CB 3.95Å; V88-R113 HydrophobicContact CG2-CB 3.38Å; V88-R113 HydrophobicContact CG2-CG 4.5Å; V88-R113 PolarHBondContact N-O 2.87Å; V88-I115 HydrophobicContact CB-CD1 4.44Å; V88-I115 HydrophobicContact CG2-CD1 3.81Å; V88-I115 HydrophobicContact CG2-CG1 3.56Å; V88-E128 HydrophobicContact CG2-CG 4.09Å |
| 89 | N | 84.3 | Confident | 89.6 | Confident | 122 Ų | 122 | 73.9 Ų | 73.9 | 65% | 0.652 | 39% | 0.389 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -80.5 | -12.4 | -178.1 | -64.4 | -14.2 | 0 | 0 | 0 | 113.7 | L87 | L87-N89 PolarHBondContact O-N 3.16Å; L87-N89 VanDerWaalsContact O-N 3.17Å |
| 90 | Q | 88 | Confident | 89.9 | Confident | 92 Ų | 92 | 70.9 Ų | 70.9 | 43% | 0.43 | 37% | 0.369 | S | S | . | . | B | Isolated β-bridge | trans | -142.8 | 64.3 | -177 | -64.2 | 177.8 | -21.5 | 0 | 0 | 110.2 | L87 V88 S92 Q93 | L87-Q90 HydrophobicContact CB-CB 4.23Å; L87-Q90 CarbonylContact O-C 3.51Å; L87-Q90 PolarHBondContact O-N 2.89Å; V88-Q90 VanDerWaalsContact C-N 3.34Å; Q90-S92 PolarHBondContact O-N 2.78Å; Q90-S92 VanDerWaalsContact O-N 3.14Å; Q90-Q93 HydrophobicContact CB-CB 4.31Å; Q90-Q93 PolarHBondContact O-N 3.15Å |
| 91 | P | 85.1 | Confident | 90.2 | Very high | 79 Ų | 79 | 72.3 Ų | 72.3 | 51% | 0.513 | 37% | 0.372 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -66.7 | -17.9 | -173.1 | 27.6 | -36.3 | 0 | 0 | 0 | 113.6 | ||
| 92 | S | 87 | Confident | 90.5 | Very high | 115 Ų | 115 | 70 Ų | 70 | 80% | 0.804 | 36% | 0.358 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -78.4 | -15.5 | 174.2 | 52 | 0 | 0 | 0 | 0 | 114 | Q90 | Q90-S92 PolarHBondContact O-N 2.78Å; Q90-S92 VanDerWaalsContact O-N 3.14Å |
| 93 | Q | 89.6 | Confident | 90.6 | Very high | 100 Ų | 100 | 63.4 Ų | 63.4 | 47% | 0.467 | 33% | 0.329 | S | S | . | . | S | Bend | trans | -93.9 | 111.4 | 178 | -176.9 | 170.8 | -14.1 | 0 | 0 | 110.1 | Q90 L95 | Q90-Q93 HydrophobicContact CB-CB 4.31Å; Q90-Q93 PolarHBondContact O-N 3.15Å; Q93-L95 HydrophobicContact CG-CD2 4.49Å |
| 94 | I | 89.2 | Confident | 90.6 | Very high | 78 Ų | 78 | 70 Ų | 70 | 40% | 0.4 | 36% | 0.359 | S | S | . | . | trans | -79.4 | 129 | 173.5 | -54.9 | -179.1 | 0 | 0 | 0 | 108.9 | Q84 W85 E97 | Q84-I94 HydrophobicContact CG-CD1 4.18Å; Q84-I94 HydrophobicContact CG-CG1 4.09Å; Q84-I94 HydrophobicContact CG-CG2 4.1Å; W85-I94 CarbonylContact O-C 3.51Å; W85-I94 WeakPolarHBondContact O-CA 3.28Å; I94-E97 HydrophobicContact CG2-CG 3.96Å | ||
| 95 | L | 90.6 | Very high | 90.5 | Very high | 45 Ų | 45 | 70.2 Ų | 70.2 | 24% | 0.236 | 37% | 0.369 | C | S | . | . | trans | -98.4 | -33.7 | 179.8 | -59.4 | 175.8 | 0 | 0 | 0 | 112.8 | W85 L87 Q93 Y101 Y114 | W85-L95 HydrophobicContact CB-CB 4.02Å; W85-L95 PolarHBondContact O-N 2.59Å; L87-L95 HydrophobicContact CD2-CD1 4.06Å; L87-L95 HydrophobicContact CG-CD1 4.09Å; Q93-L95 HydrophobicContact CG-CD2 4.49Å; L95-Y101 HydrophobicContact CB-CD2 4.12Å; L95-Y101 HydrophobicContact CB-CE2 3.69Å; L95-Y101 HydrophobicContact CD1-CE1 4.29Å; L95-Y101 HydrophobicContact CD1-CE2 4.48Å; L95-Y114 HydrophobicContact CD1-CD1 3.56Å; L95-Y114 HydrophobicContact CD1-CE1 3.68Å | ||
| 96 | S | 91.7 | Very high | 90.4 | Very high | 21 Ų | 21 | 70.2 Ų | 70.2 | 15% | 0.147 | 37% | 0.369 | C | S | . | . | B | Isolated β-bridge | trans | -165.7 | 151.9 | 179.1 | 175.4 | 0 | 0 | 0 | 0 | 109.3 | W85 E98 F100 | W85-S96 PolarHBondContact N-O 2.85Å; S96-E98 PolarHBondContact OG-N 3.35Å; S96-E98 VanDerWaalsContact OG-N 3.09Å; S96-F100 PolarHBondContact OG-O 2.88Å |
| 97 | E | 92.2 | Very high | 90.4 | Very high | 140 Ų | 140 | 73.3 Ų | 73.3 | 65% | 0.654 | 39% | 0.388 | S | S | * | . | S | Bend | trans | -109.9 | 6.2 | 172.3 | -62.7 | 179.5 | 176.7 | 0 | 0 | 112.1 | Y83 I94 | Y83-E97 CarbonylContact O-C 3.55Å; Y83-E97 VanDerWaalsContact O-CA 3.25Å; Y83-E97 WeakPolarHBondContact O-CA 3.44Å; I94-E97 HydrophobicContact CG2-CG 3.96Å |
| 98 | E | 91.9 | Very high | 90.3 | Very high | 137 Ų | 137 | 77.3 Ų | 77.3 | 64% | 0.64 | 41% | 0.409 | S | S | * | . | S | Bend | trans | -90.1 | 159.6 | 177.8 | -59.9 | -177.8 | 179.2 | 0 | 0 | 111.8 | Y83 W85 S96 F100 | Y83-E98 WeakPolarHBondContact CB-O 3.5Å; W85-E98 VanDerWaalsContact CD1-O 3.27Å; W85-E98 PolarHBondContact NE1-O 2.72Å; S96-E98 PolarHBondContact OG-N 3.35Å; S96-E98 VanDerWaalsContact OG-N 3.09Å; E98-F100 PolarHBondContact O-N 3.13Å |
| 99 | Q | 91.3 | Very high | 90.4 | Very high | 42 Ų | 42 | 84 Ų | 84 | 20% | 0.196 | 43% | 0.434 | C | S | . | . | S | Bend | trans | -57.8 | -22.6 | 172.3 | -172.5 | 177.3 | 48.7 | 0 | 0 | 112.7 | K75 C76 Y83 | K75-Q99 HydrophobicContact CG-CG 4.31Å; C76-Q99 HydrophobicContact CB-CG 4.24Å; C76-Q99 PolarHBondContact N-O 2.89Å; Y83-Q99 HydrophobicContact CD1-CB 4.28Å; Y83-Q99 HydrophobicContact CD1-CG 4.32Å; Y83-Q99 HydrophobicContact CD2-CB 3.93Å; Y83-Q99 HydrophobicContact CE1-CB 4.03Å; Y83-Q99 HydrophobicContact CE1-CG 3.74Å; Y83-Q99 HydrophobicContact CE2-CB 3.67Å; Y83-Q99 HydrophobicContact CE2-CG 4.17Å; Y83-Q99 HydrophobicContact CG-CB 4.23Å; Y83-Q99 PolarHBondContact OH-NE2 3.17Å; Y83-Q99 VanDerWaalsContact OH-NE2 3.09Å |
| 100 | F | 91.2 | Very high | 90.7 | Very high | 78 Ų | 78 | 80.1 Ų | 80.1 | 34% | 0.342 | 41% | 0.413 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.8 | 143.4 | -177.6 | -62.1 | -88.3 | 0 | 0 | 0 | 111.4 | N73 L74 K75 S96 E98 | N73-F100 WeakPolarHBondContact ND2-CD1 3.49Å; L74-F100 CarbonylContact O-C 3.6Å; L74-F100 VanDerWaalsContact O-CA 3.29Å; L74-F100 WeakPolarHBondContact O-CA 3.3Å; K75-F100 HydrophobicContact CB-CD1 3.84Å; K75-F100 HydrophobicContact CB-CE1 3.7Å; K75-F100 HydrophobicContact CD-CE1 3.68Å; K75-F100 HydrophobicContact CD-CZ 3.88Å; K75-F100 HydrophobicContact CG-CD1 3.91Å; K75-F100 HydrophobicContact CG-CE1 3.45Å; K75-F100 VanDerWaalsContact CG-CE1 3.45Å; K75-F100 HydrophobicContact CG-CZ 3.91Å; S96-F100 PolarHBondContact OG-O 2.88Å; E98-F100 PolarHBondContact O-N 3.13Å |
| 101 | Y | 92.9 | Very high | 90.8 | Very high | 45 Ų | 45 | 77 Ų | 77 | 18% | 0.176 | 40% | 0.401 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.6 | 114.5 | 168.8 | 176.6 | -108.2 | 0 | 0 | 0 | 109.7 | L74 W85 L95 I103 Y114 | L74-Y101 HydrophobicContact CD1-CD1 4.15Å; L74-Y101 PolarHBondContact N-O 2.85Å; L74-Y101 PolarHBondContact O-N 3Å; W85-Y101 HydrophobicContact CD2-CG 4.49Å; W85-Y101 HydrophobicContact CG-CG 4.46Å; L95-Y101 HydrophobicContact CB-CD2 4.12Å; L95-Y101 HydrophobicContact CB-CE2 3.69Å; L95-Y101 HydrophobicContact CD1-CE1 4.29Å; L95-Y101 HydrophobicContact CD1-CE2 4.48Å; Y101-I103 HydrophobicContact CD1-CG1 4.17Å; Y101-I103 HydrophobicContact CE1-CD1 4.33Å; Y101-I103 HydrophobicContact CE1-CG1 3.6Å; Y101-Y114 HydrophobicContact CD1-CD1 4.16Å; Y101-Y114 HydrophobicContact CD1-CE1 4.22Å; Y101-Y114 AromaticContact CE1-CD1 3.83Å; Y101-Y114 HydrophobicContact CE1-CD1 3.83Å; Y101-Y114 AromaticContact CE1-CE1 3.45Å; Y101-Y114 HydrophobicContact CE1-CE1 3.45Å; Y101-Y114 VanDerWaalsContact CE1-CE1 3.45Å |
| 102 | T | 93.2 | Very high | 91.1 | Very high | 62 Ų | 62 | 74.9 Ų | 74.9 | 38% | 0.38 | 39% | 0.386 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.5 | 112.1 | -178.4 | -52.9 | 0 | 0 | 0 | 0 | 111.6 | L72 N73 K104 | L72-T102 CarbonylContact O-C 3.58Å; L72-T102 WeakPolarHBondContact O-CA 3.11Å; N73-T102 PolarHBondContact OD1-OG1 2.96Å; T102-K104 HydrophobicContact CG2-CG 3.86Å; T102-K104 PolarHBondContact O-N 2.88Å |
| 103 | I | 92.9 | Very high | 91.3 | Very high | 5 Ų | 5 | 71.2 Ų | 71.2 | 3% | 0.026 | 35% | 0.354 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -75.5 | 115.5 | 164.3 | -58.2 | 170.8 | 0 | 0 | 0 | 106.9 | S71 L72 Y101 A106 D110 Y114 V131 | S71-I103 CarbonylContact C-O 3.6Å; S71-I103 WeakPolarHBondContact CA-O 3.48Å; S71-I103 WeakPolarHBondContact CB-O 3.48Å; L72-I103 PolarHBondContact N-O 3.02Å; L72-I103 PolarHBondContact O-N 2.88Å; Y101-I103 HydrophobicContact CD1-CG1 4.17Å; Y101-I103 HydrophobicContact CE1-CD1 4.33Å; Y101-I103 HydrophobicContact CE1-CG1 3.6Å; I103-A106 HydrophobicContact CG2-CB 3.79Å; I103-D110 HydrophobicContact CG2-CB 4.07Å; I103-Y114 HydrophobicContact CD1-CE2 4.14Å; I103-V131 HydrophobicContact CD1-CB 4.47Å; I103-V131 HydrophobicContact CD1-CG1 4.03Å; I103-V131 HydrophobicContact CD1-CG2 4.22Å |
| 104 | K | 92.2 | Very high | 91.4 | Very high | 164 Ų | 164 | 66.7 Ų | 66.7 | 71% | 0.713 | 33% | 0.333 | S | S | * | . | trans | -102.7 | 129.9 | 179.5 | -64.4 | 178.8 | -176.6 | 173 | 0 | 109.9 | T102 | T102-K104 HydrophobicContact CG2-CG 3.86Å; T102-K104 PolarHBondContact O-N 2.88Å | ||
| 105 | S | 91.1 | Very high | 91.5 | Very high | 82 Ų | 82 | 64.4 Ų | 64.4 | 57% | 0.573 | 32% | 0.321 | S | S | * | . | S | Bend | trans | 51.3 | 56.9 | 179.9 | -58.2 | 0 | 0 | 0 | 0 | 113.2 | S71 | S71-S105 PolarHBondContact OG-N 2.89Š|
| 106 | A | 92.3 | Very high | 91.6 | Very high | 0 Ų | 0 | 62.3 Ų | 62.3 | 0% | 0 | 31% | 0.31 | C | S | . | . | trans | -49.2 | 135.9 | -170.1 | 0 | 0 | 0 | 0 | 0 | 113.7 | I66 V68 G69 Q70 I103 V133 | I66-A106 HydrophobicContact CD1-CB 3.54Å; I66-A106 HydrophobicContact CG1-CB 4.32Å; V68-A106 CarbonylContact C-O 3.54Å; V68-A106 VanDerWaalsContact CA-O 3.32Å; V68-A106 WeakPolarHBondContact CA-O 3.28Å; G69-A106 PolarHBondContact N-O 2.92Å; Q70-A106 WeakPolarHBondContact O-CB 3.44Å; Q70-A106 PolarHBondContact O-N 2.66Å; I103-A106 HydrophobicContact CG2-CB 3.79Å; A106-V133 HydrophobicContact CB-CG1 3.94Å; A106-V133 HydrophobicContact CB-CG2 4Å | ||
| 107 | T | 93 | Very high | 91.5 | Very high | 65 Ų | 65 | 64 Ų | 64 | 40% | 0.399 | 32% | 0.316 | S | S | . | . | trans | -110.7 | 163.7 | 177 | 73.6 | 0 | 0 | 0 | 0 | 110 | K109 D110 V133 | T107-K109 PolarHBondContact O-N 2.9Å; T107-K109 PolarHBondContact OG1-N 3.06Å; T107-D110 WeakPolarHBondContact CA-OD2 3.31Å; T107-D110 WeakPolarHBondContact CB-OD2 3.36Å; T107-D110 PolarHBondContact N-OD2 2.71Å; T107-D110 PolarHBondContact O-N 2.97Å; T107-D110 PolarHBondContact OG1-OD2 3.49Å; T107-V133 WeakPolarHBondContact O-CB 3.26Å; T107-V133 WeakPolarHBondContact O-CG1 3.32Å; T107-V133 VanDerWaalsContact O-CG2 3.31Å; T107-V133 WeakPolarHBondContact O-CG2 3.43Å | ||
| 108 | L | 89.3 | Confident | 91.5 | Very high | 103 Ų | 103 | 57.4 Ų | 57.4 | 54% | 0.539 | 29% | 0.285 | S | S | . | . | G | 310 helix | trans | -56.5 | -25.6 | 177.1 | -62.5 | 176.1 | 0 | 0 | 0 | 113.1 | V68 D110 S111 V133 D135 | V68-L108 HydrophobicContact CG2-CD2 3.61Å; V68-L108 HydrophobicContact CG2-CG 4.01Å; L108-D110 VanDerWaalsContact C-N 3.31Å; L108-D110 PolarHBondContact O-N 2.78Å; L108-S111 VanDerWaalsContact O-CB 3.3Å; L108-S111 WeakPolarHBondContact O-CB 3.35Å; L108-S111 PolarHBondContact O-N 3.22Å; L108-S111 PolarHBondContact O-OG 3.02Å; L108-V133 WeakPolarHBondContact CD2-O 3.31Å; L108-D135 HydrophobicContact CD2-CB 4.39Å |
| 109 | K | 88.9 | Confident | 91.3 | Very high | 189 Ų | 189 | 53.3 Ų | 53.3 | 82% | 0.822 | 27% | 0.269 | S | S | * | . | G | 310 helix | trans | -72.1 | -20.3 | 178 | -63.6 | -177.2 | 178.9 | -179.6 | 0 | 113.9 | T107 S111 | T107-K109 PolarHBondContact O-N 2.9Å; T107-K109 PolarHBondContact OG1-N 3.06Å; K109-S111 PolarHBondContact O-N 2.9Å |
| 110 | D | 91.3 | Very high | 91.1 | Very high | 40 Ų | 40 | 54.1 Ų | 54.1 | 21% | 0.214 | 27% | 0.273 | C | S | . | . | G | 310 helix | trans | -81.2 | 5.1 | 176.2 | -51.1 | -64.1 | 0 | 0 | 0 | 111.7 | I103 T107 L108 N112 Y114 V133 | I103-D110 HydrophobicContact CG2-CB 4.07Å; T107-D110 WeakPolarHBondContact CA-OD2 3.31Å; T107-D110 WeakPolarHBondContact CB-OD2 3.36Å; T107-D110 PolarHBondContact N-OD2 2.71Å; T107-D110 PolarHBondContact O-N 2.97Å; T107-D110 PolarHBondContact OG1-OD2 3.49Å; L108-D110 VanDerWaalsContact C-N 3.31Å; L108-D110 PolarHBondContact O-N 2.78Å; D110-N112 PolarHBondContact O-N 3.41Å; D110-Y114 PolarHBondContact O-OH 2.64Å; D110-V133 HydrophobicContact CB-CG2 4.04Å |
| 111 | S | 90.8 | Very high | 90.7 | Very high | 27 Ų | 27 | 54.2 Ų | 54.2 | 19% | 0.189 | 30% | 0.296 | C | S | . | . | trans | -74.5 | 96.5 | 168.1 | -54.6 | 0 | 0 | 0 | 0 | 109.9 | L108 K109 V131 V133 | L108-S111 VanDerWaalsContact O-CB 3.3Å; L108-S111 WeakPolarHBondContact O-CB 3.35Å; L108-S111 PolarHBondContact O-N 3.22Å; L108-S111 PolarHBondContact O-OG 3.02Å; K109-S111 PolarHBondContact O-N 2.9Å; S111-V131 CarbonylContact C-O 3.54Å; S111-V131 VanDerWaalsContact CA-O 3.23Å; S111-V131 WeakPolarHBondContact CA-O 3.38Å; S111-V133 PolarHBondContact OG-N 3.41Å; S111-V133 PolarHBondContact OG-O 3.05Å | ||
| 112 | N | 91 | Very high | 90.1 | Very high | 34 Ų | 34 | 63.1 Ų | 63.1 | 18% | 0.182 | 33% | 0.331 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -158.3 | 173.5 | -174.7 | -143 | -38.4 | 0 | 0 | 0 | 112.6 | L87 D110 Y114 V131 | L87-N112 HydrophobicContact CD2-CB 3.99Å; D110-N112 PolarHBondContact O-N 3.41Å; N112-Y114 HydrophobicContact CB-CE2 3.95Å; N112-V131 PolarHBondContact N-O 3Å; N112-V131 PolarHBondContact O-N 3.47Å |
| 113 | R | 90.1 | Very high | 89.7 | Confident | 38 Ų | 38 | 61.8 Ų | 61.8 | 14% | 0.143 | 33% | 0.329 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.4 | 117.3 | 169.6 | -64.2 | 164.5 | 154.5 | -114.7 | -13.6 | 109 | V88 E128 L162 D185 | V88-R113 HydrophobicContact CB-CB 3.95Å; V88-R113 HydrophobicContact CG2-CB 3.38Å; V88-R113 HydrophobicContact CG2-CG 4.5Å; V88-R113 PolarHBondContact N-O 2.87Å; R113-E128 HydrophobicContact CB-CG 4.44Å; R113-E128 WeakPolarHBondContact CD-OE1 3.48Å; R113-E128 IonicContact CZ-OE1 3.27Å; R113-E128 IonicContact NE-OE1 3.46Å; R113-E128 PolarHBondContact NE-OE1 3.41Å; R113-E128 VanDerWaalsContact NH1-CD 3.28Å; R113-E128 IonicContact NH1-OE1 3.17Å; R113-E128 PolarHBondContact NH1-OE1 3.1Å; R113-E128 IonicContact NH1-OE2 3.31Å; R113-E128 PolarHBondContact NH1-OE2 2.95Å; R113-E128 IonicContact NH2-OE1 2.95Å; R113-L162 HydrophobicContact CG-CD2 3.72Å; R113-D185 IonicContact CZ-OD2 3.44Å; R113-D185 VanDerWaalsContact CZ-OD2 3.27Å; R113-D185 IonicContact NE-OD2 2.85Å; R113-D185 PolarHBondContact NE-OD2 2.93Å; R113-D185 IonicContact NH2-OD1 3.02Å; R113-D185 PolarHBondContact NH2-OD1 2.81Å; R113-D185 IonicContact NH2-OD2 3.19Å; R113-D185 PolarHBondContact NH2-OD2 3Å |
| 114 | Y | 91.8 | Very high | 89.3 | Confident | 6 Ų | 6 | 70.3 Ų | 70.3 | 2% | 0.024 | 36% | 0.361 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.6 | 136.4 | 177.6 | -65 | -99 | 0 | 0 | 0 | 109 | L74 S86 L87 L95 Y101 I103 D110 N112 E128 M129 V131 | L74-Y114 HydrophobicContact CD1-CD1 4.44Å; L74-Y114 HydrophobicContact CD1-CD2 4.27Å; L74-Y114 HydrophobicContact CD1-CG 4Å; S86-Y114 CarbonylContact O-C 3.13Å; S86-Y114 WeakPolarHBondContact O-CA 3.27Å; L87-Y114 HydrophobicContact CD2-CD1 3.64Å; L87-Y114 HydrophobicContact CD2-CD2 4.44Å; L87-Y114 HydrophobicContact CD2-CE1 3.48Å; L87-Y114 VanDerWaalsContact CD2-CE1 3.48Å; L87-Y114 HydrophobicContact CD2-CE2 4.3Å; L87-Y114 HydrophobicContact CD2-CG 4.13Å; L95-Y114 HydrophobicContact CD1-CD1 3.56Å; L95-Y114 HydrophobicContact CD1-CE1 3.68Å; Y101-Y114 HydrophobicContact CD1-CD1 4.16Å; Y101-Y114 HydrophobicContact CD1-CE1 4.22Å; Y101-Y114 AromaticContact CE1-CD1 3.83Å; Y101-Y114 HydrophobicContact CE1-CD1 3.83Å; Y101-Y114 AromaticContact CE1-CE1 3.45Å; Y101-Y114 HydrophobicContact CE1-CE1 3.45Å; Y101-Y114 VanDerWaalsContact CE1-CE1 3.45Å; I103-Y114 HydrophobicContact CD1-CE2 4.14Å; D110-Y114 PolarHBondContact O-OH 2.64Å; N112-Y114 HydrophobicContact CB-CE2 3.95Å; Y114-E128 WeakPolarHBondContact O-CA 3.3Å; Y114-M129 PolarHBondContact N-O 3.44Å; Y114-M129 PolarHBondContact O-N 3.03Å; Y114-V131 HydrophobicContact CD2-CB 4.14Å; Y114-V131 HydrophobicContact CD2-CG2 3.76Å; Y114-V131 HydrophobicContact CE2-CB 3.88Å; Y114-V131 HydrophobicContact CE2-CG2 3.88Å |
| 115 | I | 91.6 | Very high | 89.1 | Confident | 30 Ų | 30 | 63.9 Ų | 63.9 | 15% | 0.154 | 34% | 0.337 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.9 | 127.6 | 170.9 | -50.6 | 175.3 | 0 | 0 | 0 | 107.9 | W85 S86 V88 V127 | W85-I115 WeakPolarHBondContact CA-O 3.2Å; S86-I115 PolarHBondContact N-O 2.82Å; S86-I115 PolarHBondContact O-N 3.39Å; V88-I115 HydrophobicContact CB-CD1 4.44Å; V88-I115 HydrophobicContact CG2-CD1 3.81Å; V88-I115 HydrophobicContact CG2-CG1 3.56Å; I115-V127 WeakPolarHBondContact CA-O 3.37Å |
| 116 | C | 92.1 | Very high | 88.9 | Confident | 0 Ų | 0 | 63 Ų | 63 | 0% | 0 | 33% | 0.33 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.8 | 122.5 | 156.6 | 173.8 | 0 | 0 | 0 | 0 | 108.4 | C76 W85 S126 V127 M129 | C76-C116 HydrophobicContact CB-CB 3.9Å; C76-C116 WeakPolarHBondContact CB-SG 3.33Å; C76-C116 WeakPolarHBondContact SG-CB 3.31Å; C76-C116 CovalentContact SG-SG 2.03Å; C76-C116 PolarHBondContact SG-SG 2.84Å; W85-C116 HydrophobicContact CD2-CB 4.04Å; W85-C116 HydrophobicContact CE3-CB 3.91Å; W85-C116 HydrophobicContact CH2-CB 3.83Å; W85-C116 HydrophobicContact CZ2-CB 3.94Å; W85-C116 HydrophobicContact CZ3-CB 3.8Å; C116-S126 CarbonylContact O-C 3.53Å; C116-S126 VanDerWaalsContact O-CA 3.22Å; C116-S126 WeakPolarHBondContact O-CA 3.43Å; C116-V127 PolarHBondContact N-O 3.41Å; C116-V127 PolarHBondContact O-N 3.32Å; C116-M129 HydrophobicContact CB-CE 4.46Å |
| 117 | H | 91.2 | Very high | 88.6 | Confident | 58 Ų | 58 | 63.2 Ų | 63.2 | 27% | 0.269 | 33% | 0.332 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.5 | 129.5 | 162.8 | -58.6 | -84.3 | 0 | 0 | 0 | 108.9 | Y83 Q84 | Y83-H117 CarbonylContact C-O 3.49Å; Y83-H117 WeakPolarHBondContact CA-O 3.31Å; Q84-H117 HydrophobicContact CB-CB 4.34Å; Q84-H117 PolarHBondContact N-O 3.43Å; Q84-H117 PolarHBondContact O-N 2.97Å |
| 118 | A | 90.9 | Very high | 88.4 | Confident | 0 Ų | 0 | 62.1 Ų | 62.1 | 0% | 0 | 32% | 0.322 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.2 | 125.2 | -179.8 | 0 | 0 | 0 | 0 | 0 | 109.2 | D78 A80 Y83 R124 S125 | D78-A118 HydrophobicContact CB-CB 4.05Å; A80-A118 HydrophobicContact CB-CB 3.74Å; Y83-A118 HydrophobicContact CD1-CB 4.28Å; Y83-A118 HydrophobicContact CE1-CB 4.41Å; A118-R124 WeakPolarHBondContact O-CA 3.37Å; A118-S125 PolarHBondContact N-O 3.16Å; A118-S125 PolarHBondContact O-N 3.07Å |
| 119 | V | 89.3 | Confident | 88.3 | Confident | 52 Ų | 52 | 57.2 Ų | 57.2 | 32% | 0.315 | 30% | 0.296 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.2 | 112.9 | -178.4 | -169 | 0 | 0 | 0 | 0 | 109.8 | V81 F82 R124 | V81-V119 PolarHBondContact N-O 3.16Å; V81-V119 VanDerWaalsContact N-O 3.17Å; F82-V119 HydrophobicContact CB-CB 4.27Å; F82-V119 PolarHBondContact N-O 3.36Å; F82-V119 PolarHBondContact O-N 3.47Å; V119-R124 HydrophobicContact CG1-CG 4.25Å; V119-R124 HydrophobicContact CG2-CG 4.11Å |
| 120 | H | 86.4 | Confident | 88.4 | Confident | 58 Ų | 58 | 48.5 Ų | 48.5 | 27% | 0.269 | 26% | 0.259 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.2 | 167.8 | 175.7 | 24.4 | 74.6 | 0 | 0 | 0 | 109.6 | Y122 G123 S125 | H120-Y122 PolarHBondContact O-N 3.12Å; H120-G123 PolarHBondContact N-O 2.95Å; H120-G123 VanDerWaalsContact N-O 3.09Å; H120-G123 PolarHBondContact ND1-O 3.03Å; H120-G123 PolarHBondContact O-N 2.89Å; H120-G123 VanDerWaalsContact O-N 3.13Å; H120-S125 PolarHBondContact NE2-OG 3.1Å |
| 121 | G | 82.2 | Confident | 88.4 | Confident | 80 Ų | 80 | 46.6 Ų | 46.6 | 83% | 0.825 | 25% | 0.249 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -61.2 | -8.3 | -178.4 | 0 | 0 | 0 | 0 | 0 | 115.4 | ||
| 122 | Y | 81.4 | Confident | 88.4 | Confident | 233 Ų | 233 | 45.9 Ų | 45.9 | 91% | 0.914 | 24% | 0.242 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -109.3 | -7.1 | -178.8 | -58.3 | -77.5 | 0 | 0 | 0 | 113.8 | H120 | H120-Y122 PolarHBondContact O-N 3.12Š|
| 123 | G | 84.4 | Confident | 88.4 | Confident | 33 Ų | 33 | 44.3 Ų | 44.3 | 34% | 0.34 | 23% | 0.234 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | 155.7 | -156.3 | -179.6 | 0 | 0 | 0 | 0 | 0 | 114.4 | H120 | H120-G123 PolarHBondContact N-O 2.95Å; H120-G123 VanDerWaalsContact N-O 3.09Å; H120-G123 PolarHBondContact ND1-O 3.03Å; H120-G123 PolarHBondContact O-N 2.89Å; H120-G123 VanDerWaalsContact O-N 3.13Å |
| 124 | R | 85.3 | Confident | 88.4 | Confident | 184 Ų | 184 | 42.6 Ų | 42.6 | 69% | 0.694 | 23% | 0.227 | S | C | * | . | E | Extended strand (participates in β ladder) | trans | -120.7 | 131.2 | 176.4 | -56.2 | -174.4 | 179 | 163.1 | 2.6 | 109 | A118 V119 | A118-R124 WeakPolarHBondContact O-CA 3.37Å; V119-R124 HydrophobicContact CG1-CG 4.25Å; V119-R124 HydrophobicContact CG2-CG 4.11Å |
| 125 | S | 86.1 | Confident | 88.2 | Confident | 29 Ų | 29 | 45.2 Ų | 45.2 | 20% | 0.203 | 24% | 0.242 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.6 | 160.9 | 163.1 | 55.9 | 0 | 0 | 0 | 0 | 110 | D78 A118 H120 | D78-S125 WeakPolarHBondContact OD2-CB 3.34Å; D78-S125 PolarHBondContact OD2-OG 3.43Å; A118-S125 PolarHBondContact N-O 3.16Å; A118-S125 PolarHBondContact O-N 3.07Å; H120-S125 PolarHBondContact NE2-OG 3.1Å |
| 126 | S | 87.5 | Confident | 87.6 | Confident | 63 Ų | 63 | 46 Ų | 46 | 44% | 0.441 | 24% | 0.244 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -144.4 | 133.7 | 177.2 | 58.9 | 0 | 0 | 0 | 0 | 110.5 | C116 | C116-S126 CarbonylContact O-C 3.53Å; C116-S126 VanDerWaalsContact O-CA 3.22Å; C116-S126 WeakPolarHBondContact O-CA 3.43Å |
| 127 | V | 87.2 | Confident | 87.1 | Confident | 6 Ų | 6 | 50.7 Ų | 50.7 | 4% | 0.036 | 28% | 0.277 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122 | 127.7 | -179.2 | -179.4 | 0 | 0 | 0 | 0 | 109.3 | T60 P77 I115 C116 M129 | T60-V127 WeakPolarHBondContact O-CG1 3Å; P77-V127 HydrophobicContact CG-CB 4.32Å; P77-V127 HydrophobicContact CG-CG1 4Å; P77-V127 HydrophobicContact CG-CG2 3.82Å; I115-V127 WeakPolarHBondContact CA-O 3.37Å; C116-V127 PolarHBondContact N-O 3.41Å; C116-V127 PolarHBondContact O-N 3.32Å; V127-M129 HydrophobicContact CB-CE 4.28Å; V127-M129 HydrophobicContact CG1-CE 3.83Å; V127-M129 HydrophobicContact CG1-CG 4.38Å |
| 128 | E | 88.3 | Confident | 86.8 | Confident | 41 Ų | 41 | 49.7 Ų | 49.7 | 19% | 0.192 | 28% | 0.277 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.6 | 130.7 | 178.4 | -162.6 | -162.3 | 128 | 0 | 0 | 110.6 | L62 V88 R113 Y114 | L62-E128 PolarHBondContact N-O 2.91Å; V88-E128 HydrophobicContact CG2-CG 4.09Å; R113-E128 HydrophobicContact CB-CG 4.44Å; R113-E128 WeakPolarHBondContact CD-OE1 3.48Å; R113-E128 IonicContact CZ-OE1 3.27Å; R113-E128 IonicContact NE-OE1 3.46Å; R113-E128 PolarHBondContact NE-OE1 3.41Å; R113-E128 VanDerWaalsContact NH1-CD 3.28Å; R113-E128 IonicContact NH1-OE1 3.17Å; R113-E128 PolarHBondContact NH1-OE1 3.1Å; R113-E128 IonicContact NH1-OE2 3.31Å; R113-E128 PolarHBondContact NH1-OE2 2.95Å; R113-E128 IonicContact NH2-OE1 2.95Å; Y114-E128 WeakPolarHBondContact O-CA 3.3Å |
| 129 | M | 87.8 | Confident | 86.4 | Confident | 0 Ų | 0 | 55 Ų | 55 | 0% | 0 | 30% | 0.304 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.3 | 117.9 | -178.7 | -51.6 | -169.7 | -166.2 | 0 | 0 | 109.8 | L62 Y64 L74 K75 W85 Y114 C116 V127 | L62-M129 HydrophobicContact CB-CB 4.44Å; L62-M129 HydrophobicContact CB-CG 4.15Å; L62-M129 HydrophobicContact CD1-CE 4.12Å; L62-M129 HydrophobicContact CD1-CG 4.34Å; L62-M129 HydrophobicContact CD1-SD 4.15Å; L62-M129 CarbonylContact O-C 3.57Å; L62-M129 WeakPolarHBondContact O-CA 3.25Å; Y64-M129 HydrophobicContact CE2-CB 4.31Å; Y64-M129 HydrophobicContact CE2-SD 4.3Å; L74-M129 HydrophobicContact CB-SD 4.24Å; K75-M129 WeakPolarHBondContact O-CE 3.34Å; W85-M129 HydrophobicContact CH2-CE 3.62Å; W85-M129 HydrophobicContact CH2-SD 3.68Å; W85-M129 HydrophobicContact CZ3-CE 4.09Å; W85-M129 HydrophobicContact CZ3-SD 3.88Å; Y114-M129 PolarHBondContact N-O 3.44Å; Y114-M129 PolarHBondContact O-N 3.03Å; C116-M129 HydrophobicContact CB-CE 4.46Å; V127-M129 HydrophobicContact CB-CE 4.28Å; V127-M129 HydrophobicContact CG1-CE 3.83Å; V127-M129 HydrophobicContact CG1-CG 4.38Å |
| 130 | S | 90.4 | Very high | 86.2 | Confident | 6 Ų | 6 | 55.6 Ų | 55.6 | 4% | 0.042 | 31% | 0.308 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -88 | 119.6 | 176.7 | -68.1 | 0 | 0 | 0 | 0 | 110 | L62 G63 Y64 L162 | L62-S130 PolarHBondContact O-N 3.11Å; G63-S130 CarbonylContact C-O 3.53Å; G63-S130 VanDerWaalsContact CA-O 3.29Å; G63-S130 WeakPolarHBondContact CA-O 3.04Å; Y64-S130 PolarHBondContact N-O 3.31Å; S130-L162 WeakPolarHBondContact OG-CD2 3.48Å |
| 131 | V | 90.9 | Very high | 85.9 | Confident | 0 Ų | 0 | 53 Ų | 53 | 0% | 0 | 30% | 0.297 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.9 | 132.9 | 172.4 | -177.7 | 0 | 0 | 0 | 0 | 108.6 | Y64 I66 L72 L74 I103 S111 N112 Y114 V133 L162 | Y64-V131 HydrophobicContact CD2-CG2 4.26Å; I66-V131 HydrophobicContact CD1-CG1 4.06Å; I66-V131 HydrophobicContact CG1-CG1 4.35Å; L72-V131 HydrophobicContact CD2-CG1 3.86Å; L72-V131 HydrophobicContact CD2-CG2 3.94Å; L74-V131 HydrophobicContact CD1-CG2 3.99Å; L74-V131 HydrophobicContact CD2-CG2 3.94Å; L74-V131 HydrophobicContact CG-CG2 4.5Å; I103-V131 HydrophobicContact CD1-CB 4.47Å; I103-V131 HydrophobicContact CD1-CG1 4.03Å; I103-V131 HydrophobicContact CD1-CG2 4.22Å; S111-V131 CarbonylContact C-O 3.54Å; S111-V131 VanDerWaalsContact CA-O 3.23Å; S111-V131 WeakPolarHBondContact CA-O 3.38Å; N112-V131 PolarHBondContact N-O 3Å; N112-V131 PolarHBondContact O-N 3.47Å; Y114-V131 HydrophobicContact CD2-CB 4.14Å; Y114-V131 HydrophobicContact CD2-CG2 3.76Å; Y114-V131 HydrophobicContact CE2-CB 3.88Å; Y114-V131 HydrophobicContact CE2-CG2 3.88Å; V131-V133 HydrophobicContact CG1-CG2 4.4Å; V131-L162 WeakPolarHBondContact O-CD1 3.47Å |
| 132 | R | 91.4 | Very high | 85.8 | Confident | 13 Ų | 13 | 52.6 Ų | 52.6 | 5% | 0.049 | 27% | 0.273 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.8 | 124.4 | 173.1 | 179.3 | 64.3 | -172.8 | -155.6 | -5.6 | 109.1 | Y64 L65 I66 I134 E144 F161 L162 S164 V187 | Y64-R132 PolarHBondContact O-N 2.93Å; L65-R132 WeakPolarHBondContact CA-O 3.4Å; L65-R132 HydrophobicContact CD1-CB 3.81Å; L65-R132 HydrophobicContact CD1-CG 3.59Å; I66-R132 PolarHBondContact N-O 2.92Å; R132-I134 HydrophobicContact CG-CG2 4Å; R132-E144 IonicContact CZ-OE2 3.21Å; R132-E144 IonicContact NH1-OE2 3.7Å; R132-E144 IonicContact NH2-OE2 2.65Å; R132-E144 PolarHBondContact NH2-OE2 2.64Å; R132-F161 WeakPolarHBondContact CD-O 3.42Å; R132-F161 PolarHBondContact NE-O 2.9Å; R132-F161 PolarHBondContact NH1-O 3.05Å; R132-L162 HydrophobicContact CB-CD1 4.18Å; R132-L162 VanDerWaalsContact CD-O 3.24Å; R132-L162 WeakPolarHBondContact CD-O 3.48Å; R132-L162 PolarHBondContact NH1-O 2.89Å; R132-S164 PolarHBondContact NH1-OG 3.48Å; R132-S164 PolarHBondContact NH2-OG 2.89Å; R132-S164 VanDerWaalsContact NH2-OG 3.08Å; R132-V187 HydrophobicContact CB-CG2 3.4Å; R132-V187 VanDerWaalsContact CB-CG2 3.4Å; R132-V187 HydrophobicContact CG-CG2 4.17Å |
| 133 | V | 91.2 | Very high | 86 | Confident | 0 Ų | 0 | 48.4 Ų | 48.4 | 0% | 0 | 26% | 0.262 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.9 | 124.3 | 174.6 | -168.2 | 0 | 0 | 0 | 0 | 108.3 | I66 V68 A106 T107 L108 D110 S111 V131 | I66-V133 HydrophobicContact CD1-CG2 4.01Å; I66-V133 HydrophobicContact CG1-CB 4.37Å; I66-V133 HydrophobicContact CG1-CG1 4.36Å; I66-V133 HydrophobicContact CG1-CG2 3.86Å; I66-V133 WeakPolarHBondContact O-CA 3.49Å; V68-V133 HydrophobicContact CB-CG1 4.48Å; V68-V133 HydrophobicContact CG2-CG1 3.86Å; A106-V133 HydrophobicContact CB-CG1 3.94Å; A106-V133 HydrophobicContact CB-CG2 4Å; T107-V133 WeakPolarHBondContact O-CB 3.26Å; T107-V133 WeakPolarHBondContact O-CG1 3.32Å; T107-V133 VanDerWaalsContact O-CG2 3.31Å; T107-V133 WeakPolarHBondContact O-CG2 3.43Å; L108-V133 WeakPolarHBondContact CD2-O 3.31Å; D110-V133 HydrophobicContact CB-CG2 4.04Å; S111-V133 PolarHBondContact OG-N 3.41Å; S111-V133 PolarHBondContact OG-O 3.05Å; V131-V133 HydrophobicContact CG1-CG2 4.4Å |
| 134 | I | 88.3 | Confident | 86.2 | Confident | 2 Ų | 2 | 47.7 Ų | 47.7 | 1% | 0.01 | 25% | 0.249 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.5 | 140.3 | 179.4 | 51.6 | 168.3 | 0 | 0 | 0 | 112.6 | L65 I66 R67 V68 R132 F136 V154 | L65-I134 HydrophobicContact CD1-CD1 3.77Å; L65-I134 HydrophobicContact CD1-CG1 3.83Å; L65-I134 HydrophobicContact CD1-CG2 4.07Å; L65-I134 HydrophobicContact CD2-CD1 3.93Å; L65-I134 HydrophobicContact CG-CD1 3.96Å; L65-I134 HydrophobicContact CG-CG1 4.26Å; I66-I134 PolarHBondContact O-N 3.29Å; R67-I134 WeakPolarHBondContact CA-O 3.26Å; V68-I134 PolarHBondContact N-O 2.97Å; V68-I134 VanDerWaalsContact N-O 3.14Å; R132-I134 HydrophobicContact CG-CG2 4Å; I134-F136 HydrophobicContact CD1-CD2 3.78Å; I134-F136 HydrophobicContact CD1-CE1 4.1Å; I134-F136 HydrophobicContact CD1-CE2 3.16Å; I134-F136 HydrophobicContact CD1-CG 4.47Å; I134-F136 HydrophobicContact CD1-CZ 3.36Å; I134-F136 HydrophobicContact CG1-CD2 3.91Å; I134-F136 HydrophobicContact CG1-CE2 3.5Å; I134-F136 VanDerWaalsContact CG1-CE2 3.5Å; I134-F136 HydrophobicContact CG1-CZ 4.2Å; I134-V154 HydrophobicContact CD1-CG1 4.27Å |
| 135 | D | 87.9 | Confident | 86.4 | Confident | 61 Ų | 61 | 39.1 Ų | 39.1 | 33% | 0.326 | 22% | 0.218 | S | C | . | . | trans | -93.5 | 108.9 | 161.8 | -173.6 | -13.6 | 0 | 0 | 0 | 108.4 | V68 L108 S137 S138 A141 | V68-D135 HydrophobicContact CG2-CB 4.05Å; L108-D135 HydrophobicContact CD2-CB 4.39Å; D135-S137 VanDerWaalsContact CG-OG 3.25Å; D135-S137 PolarHBondContact O-N 3.5Å; D135-S137 WeakPolarHBondContact OD1-CB 3.16Å; D135-S137 PolarHBondContact OD1-N 2.91Å; D135-S137 PolarHBondContact OD1-OG 3.14Å; D135-S137 PolarHBondContact OD2-OG 3.33Å; D135-S138 WeakPolarHBondContact O-CB 3.42Å; D135-S138 PolarHBondContact O-N 2.85Å; D135-S138 VanDerWaalsContact O-N 3.1Å; D135-A141 VanDerWaalsContact O-CB 3.29Å; D135-A141 WeakPolarHBondContact O-CB 3.33Å | ||
| 136 | F | 80.7 | Confident | 86.5 | Confident | 46 Ų | 46 | 37.9 Ų | 37.9 | 20% | 0.202 | 21% | 0.209 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -66 | -13.8 | 179.3 | -80.1 | -105.1 | 0 | 0 | 0 | 113.4 | R67 I134 V154 T156 | R67-F136 HydrophobicContact CG-CD2 3.71Å; R67-F136 HydrophobicContact CG-CE2 3.48Å; R67-F136 VanDerWaalsContact CG-CE2 3.48Å; R67-F136 VanDerWaalsContact NH2-CZ 3.28Å; I134-F136 HydrophobicContact CD1-CD2 3.78Å; I134-F136 HydrophobicContact CD1-CE1 4.1Å; I134-F136 HydrophobicContact CD1-CE2 3.16Å; I134-F136 HydrophobicContact CD1-CG 4.47Å; I134-F136 HydrophobicContact CD1-CZ 3.36Å; I134-F136 HydrophobicContact CG1-CD2 3.91Å; I134-F136 HydrophobicContact CG1-CE2 3.5Å; I134-F136 VanDerWaalsContact CG1-CE2 3.5Å; I134-F136 HydrophobicContact CG1-CZ 4.2Å; F136-V154 HydrophobicContact CD1-CB 3.78Å; F136-V154 HydrophobicContact CD1-CG1 4.17Å; F136-V154 HydrophobicContact CE1-CB 3.77Å; F136-V154 HydrophobicContact CE1-CG1 3.7Å; F136-V154 HydrophobicContact CZ-CG1 4.33Å; F136-T156 HydrophobicContact CE1-CG2 3.97Å; F136-T156 HydrophobicContact CZ-CG2 3.96Å |
| 137 | S | 80.9 | Confident | 86.4 | Confident | 99 Ų | 99 | 38.9 Ų | 38.9 | 69% | 0.692 | 21% | 0.209 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -87 | -11.2 | 174.4 | 73.7 | 0 | 0 | 0 | 0 | 113.5 | D135 | D135-S137 VanDerWaalsContact CG-OG 3.25Å; D135-S137 PolarHBondContact O-N 3.5Å; D135-S137 WeakPolarHBondContact OD1-CB 3.16Å; D135-S137 PolarHBondContact OD1-N 2.91Å; D135-S137 PolarHBondContact OD1-OG 3.14Å; D135-S137 PolarHBondContact OD2-OG 3.33Å |
| 138 | S | 84.5 | Confident | 86.1 | Confident | 38 Ų | 38 | 40.5 Ų | 40.5 | 27% | 0.266 | 22% | 0.217 | S | C | . | . | trans | -79.4 | 134.2 | -179.6 | -178.9 | 0 | 0 | 0 | 0 | 112.4 | D135 T140 A141 | D135-S138 WeakPolarHBondContact O-CB 3.42Å; D135-S138 PolarHBondContact O-N 2.85Å; D135-S138 VanDerWaalsContact O-N 3.1Å; S138-T140 PolarHBondContact O-N 3.1Å; S138-T140 WeakPolarHBondContact OG-CB 3.4Å; S138-T140 PolarHBondContact OG-N 2.82Å; S138-T140 PolarHBondContact OG-OG1 3.38Å; S138-A141 WeakPolarHBondContact O-CB 3.46Å; S138-A141 PolarHBondContact O-N 2.91Å; S138-A141 VanDerWaalsContact O-N 3.07Å | ||
| 139 | I | 83.5 | Confident | 85.7 | Confident | 110 Ų | 110 | 44.3 Ų | 44.3 | 56% | 0.564 | 25% | 0.248 | S | C | * | . | H | α-helix | trans | -55.7 | -33.6 | 170.1 | -165 | 71.6 | 0 | 0 | 0 | 111.7 | A141 Q142 H143 | I139-A141 VanDerWaalsContact C-N 3.31Å; I139-A141 PolarHBondContact O-N 3.26Å; I139-Q142 WeakPolarHBondContact O-CB 3.11Å; I139-Q142 PolarHBondContact O-N 3.19Å; I139-Q142 VanDerWaalsContact O-N 3.17Å; I139-H143 PolarHBondContact O-CD2 2.83Å; I139-H143 PolarHBondContact O-N 2.86Å |
| 140 | T | 83.2 | Confident | 85.3 | Confident | 66 Ų | 66 | 52.3 Ų | 52.3 | 41% | 0.405 | 28% | 0.283 | S | S | . | . | H | α-helix | trans | -62.1 | -38 | 177.7 | -49.7 | 0 | 0 | 0 | 0 | 111.7 | S138 Q142 H143 E144 | S138-T140 PolarHBondContact O-N 3.1Å; S138-T140 WeakPolarHBondContact OG-CB 3.4Å; S138-T140 PolarHBondContact OG-N 2.82Å; S138-T140 PolarHBondContact OG-OG1 3.38Å; T140-Q142 VanDerWaalsContact C-N 3.26Å; T140-Q142 PolarHBondContact O-N 3.41Å; T140-H143 PolarHBondContact O-N 2.69Å; T140-H143 VanDerWaalsContact O-N 3.16Å; T140-E144 HydrophobicContact CG2-CG 4.24Å; T140-E144 WeakPolarHBondContact O-CB 3.36Å; T140-E144 WeakPolarHBondContact O-CG 3.23Å; T140-E144 PolarHBondContact O-N 3.29Å |
| 141 | A | 82.1 | Confident | 84.9 | Confident | 4 Ų | 4 | 55.9 Ų | 55.9 | 3% | 0.033 | 31% | 0.305 | C | S | . | . | H | α-helix | trans | -66.7 | -28.5 | 178.8 | 0 | 0 | 0 | 0 | 0 | 112.5 | D135 S138 I139 H143 C145 V154 | D135-A141 VanDerWaalsContact O-CB 3.29Å; D135-A141 WeakPolarHBondContact O-CB 3.33Å; S138-A141 WeakPolarHBondContact O-CB 3.46Å; S138-A141 PolarHBondContact O-N 2.91Å; S138-A141 VanDerWaalsContact O-N 3.07Å; I139-A141 VanDerWaalsContact C-N 3.31Å; I139-A141 PolarHBondContact O-N 3.26Å; A141-H143 VanDerWaalsContact C-N 3.34Å; A141-C145 VanDerWaalsContact O-CB 3.26Å; A141-C145 WeakPolarHBondContact O-CB 3.5Å; A141-C145 PolarHBondContact O-N 3.28Å; A141-V154 HydrophobicContact CB-CG2 4.15Å; A141-V154 WeakPolarHBondContact O-CG2 3.45Å |
| 142 | Q | 80 | Confident | 84.3 | Confident | 70 Ų | 70 | 57.9 Ų | 57.9 | 33% | 0.327 | 33% | 0.325 | S | S | . | . | H | α-helix | trans | -70.7 | -29.4 | 175.2 | -59.6 | -178.3 | -3.2 | 0 | 0 | 112.4 | I139 T140 I147 | I139-Q142 WeakPolarHBondContact O-CB 3.11Å; I139-Q142 PolarHBondContact O-N 3.19Å; I139-Q142 VanDerWaalsContact O-N 3.17Å; T140-Q142 VanDerWaalsContact C-N 3.26Å; T140-Q142 PolarHBondContact O-N 3.41Å; Q142-I147 HydrophobicContact CB-CD1 4.39Å; Q142-I147 WeakPolarHBondContact O-CD1 3.48Å |
| 143 | H | 83.8 | Confident | 83.8 | Confident | 146 Ų | 146 | 61.8 Ų | 61.8 | 68% | 0.676 | 35% | 0.347 | S | S | * | . | H | α-helix | trans | -86.1 | -24.8 | 175.9 | -68.2 | -67 | 0 | 0 | 0 | 113.5 | I139 T140 A141 | I139-H143 PolarHBondContact O-CD2 2.83Å; I139-H143 PolarHBondContact O-N 2.86Å; T140-H143 PolarHBondContact O-N 2.69Å; T140-H143 VanDerWaalsContact O-N 3.16Å; A141-H143 VanDerWaalsContact C-N 3.34Å |
| 144 | E | 88.9 | Confident | 83.3 | Confident | 17 Ų | 17 | 62.3 Ų | 62.3 | 8% | 0.079 | 35% | 0.351 | C | S | . | . | H | α-helix | trans | -101.7 | -11.7 | -174.5 | -66.5 | -178.1 | 160.6 | 0 | 0 | 114.7 | R132 T140 C160 F161 S164 | R132-E144 IonicContact CZ-OE2 3.21Å; R132-E144 IonicContact NH1-OE2 3.7Å; R132-E144 IonicContact NH2-OE2 2.65Å; R132-E144 PolarHBondContact NH2-OE2 2.64Å; T140-E144 HydrophobicContact CG2-CG 4.24Å; T140-E144 WeakPolarHBondContact O-CB 3.36Å; T140-E144 WeakPolarHBondContact O-CG 3.23Å; T140-E144 PolarHBondContact O-N 3.29Å; E144-C160 WeakPolarHBondContact O-CA 3.28Å; E144-F161 HydrophobicContact CB-CD2 4.44Å; E144-F161 WeakPolarHBondContact O-CD2 3.5Å; E144-F161 PolarHBondContact O-N 2.8Å; E144-S164 VanDerWaalsContact CD-OG 3.24Å; E144-S164 WeakPolarHBondContact OE1-CA 3.27Å; E144-S164 WeakPolarHBondContact OE1-CB 3.38Å; E144-S164 PolarHBondContact OE1-OG 2.98Å; E144-S164 VanDerWaalsContact OE1-OG 3.11Å; E144-S164 PolarHBondContact OE2-OG 2.83Å |
| 145 | C | 90.4 | Very high | 82.9 | Confident | 4 Ų | 4 | 63.9 Ų | 63.9 | 3% | 0.027 | 36% | 0.359 | C | S | . | . | B | Isolated β-bridge | trans | -122 | 155.1 | 176.8 | -63.7 | 0 | 0 | 0 | 0 | 112.1 | A141 I147 V154 C160 I317 | A141-C145 VanDerWaalsContact O-CB 3.26Å; A141-C145 WeakPolarHBondContact O-CB 3.5Å; A141-C145 PolarHBondContact O-N 3.28Å; C145-I147 PolarHBondContact O-N 2.87Å; C145-V154 HydrophobicContact CB-CB 4.37Å; C145-V154 HydrophobicContact CB-CG1 3.45Å; C145-V154 VanDerWaalsContact CB-CG1 3.45Å; C145-V154 HydrophobicContact CB-CG2 4.08Å; C145-C160 HydrophobicContact CB-CB 4.05Å; C145-C160 WeakPolarHBondContact CB-SG 3.48Å; C145-C160 WeakPolarHBondContact SG-CB 3.39Å; C145-C160 CovalentContact SG-SG 2.03Å; C145-C160 PolarHBondContact SG-SG 2.86Å; C145-I317 VanDerWaalsContact C-CG2 3.4Å |
| 146 | A | 88.4 | Confident | 82.2 | Confident | 3 Ų | 3 | 63.5 Ų | 63.5 | 3% | 0.025 | 36% | 0.359 | C | S | . | . | trans | -63.3 | 134 | 174 | 0 | 0 | 0 | 0 | 0 | 110.3 | N155 P159 P315 I317 | A146-N155 WeakPolarHBondContact O-CB 3.37Å; A146-N155 PolarHBondContact O-N 3.4Å; A146-P159 HydrophobicContact CB-CG 4.3Å; A146-P159 PolarHBondContact N-O 2.96Å; A146-P315 HydrophobicContact CB-CB 3.86Å; A146-I317 HydrophobicContact CB-CG2 3.92Å | ||
| 147 | I | 85 | Confident | 82 | Confident | 84 Ų | 84 | 66.3 Ų | 66.3 | 43% | 0.431 | 38% | 0.376 | S | S | . | . | B | Isolated β-bridge | trans | -90.8 | 139.6 | 177.2 | -60.5 | 175.6 | 0 | 0 | 0 | 109.1 | Q142 C145 S149 G152 N153 | Q142-I147 HydrophobicContact CB-CD1 4.39Å; Q142-I147 WeakPolarHBondContact O-CD1 3.48Å; C145-I147 PolarHBondContact O-N 2.87Å; I147-S149 PolarHBondContact O-N 2.95Å; I147-G152 VanDerWaalsContact CG2-C 3.5Å; I147-N153 WeakPolarHBondContact CA-O 3.39Å |
| 148 | D | 80.5 | Confident | 82 | Confident | 41 Ų | 41 | 61.6 Ų | 61.6 | 22% | 0.219 | 34% | 0.343 | C | S | . | . | trans | -75.2 | 114.1 | 167.7 | 167.4 | 22 | 0 | 0 | 0 | 109.7 | K150 T151 G152 N153 N155 | D148-K150 PolarHBondContact O-N 3.33Å; D148-K150 PolarHBondContact OD1-N 2.87Å; D148-T151 WeakPolarHBondContact CB-OG1 3.31Å; D148-T151 PolarHBondContact O-N 3.12Å; D148-T151 VanDerWaalsContact O-N 3.1Å; D148-T151 VanDerWaalsContact OD2-CG2 3.29Å; D148-T151 WeakPolarHBondContact OD2-CG2 3.45Å; D148-T151 PolarHBondContact OD2-OG1 2.91Å; D148-G152 PolarHBondContact O-N 2.87Å; D148-N153 PolarHBondContact N-O 2.9Å; D148-N155 HydrophobicContact CB-CB 4.01Å | ||
| 149 | S | 79.3 | Confident | 82.3 | Confident | 120 Ų | 120 | 59.8 Ų | 59.8 | 84% | 0.839 | 33% | 0.331 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -45.9 | -25.8 | 175 | 60.6 | 0 | 0 | 0 | 0 | 115.9 | I147 | I147-S149 PolarHBondContact O-N 2.95Š|
| 150 | K | 80.2 | Confident | 82.6 | Confident | 168 Ų | 168 | 54.6 Ų | 54.6 | 73% | 0.73 | 30% | 0.304 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -90.9 | -33.6 | -178.2 | -63.1 | 178.7 | -177.2 | 173.8 | 0 | 113.7 | D148 | D148-K150 PolarHBondContact O-N 3.33Å; D148-K150 PolarHBondContact OD1-N 2.87Å |
| 151 | T | 81.6 | Confident | 83.1 | Confident | 81 Ų | 81 | 51.6 Ų | 51.6 | 50% | 0.497 | 29% | 0.285 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -110.5 | -16.2 | -171.2 | 59 | 0 | 0 | 0 | 0 | 113.7 | D148 N153 | D148-T151 WeakPolarHBondContact CB-OG1 3.31Å; D148-T151 PolarHBondContact O-N 3.12Å; D148-T151 VanDerWaalsContact O-N 3.1Å; D148-T151 VanDerWaalsContact OD2-CG2 3.29Å; D148-T151 WeakPolarHBondContact OD2-CG2 3.45Å; D148-T151 PolarHBondContact OD2-OG1 2.91Å; T151-N153 PolarHBondContact O-N 3.2Å; T151-N153 VanDerWaalsContact O-N 3.17Å; T151-N153 PolarHBondContact O-ND2 2.97Å |
| 152 | G | 79.2 | Confident | 83.5 | Confident | 42 Ų | 42 | 51.6 Ų | 51.6 | 43% | 0.433 | 29% | 0.285 | S | S | . | . | S | Bend | trans | 69.8 | 0.8 | -173.6 | 0 | 0 | 0 | 0 | 0 | 114 | I147 D148 | I147-G152 VanDerWaalsContact CG2-C 3.5Å; D148-G152 PolarHBondContact O-N 2.87Å |
| 153 | N | 80.7 | Confident | 83.9 | Confident | 96 Ų | 96 | 50.4 Ų | 50.4 | 51% | 0.513 | 28% | 0.282 | S | S | . | . | S | Bend | trans | -92.6 | 163.1 | 178.2 | -65.3 | -52.5 | 0 | 0 | 0 | 110.9 | I147 D148 T151 N155 | I147-N153 WeakPolarHBondContact CA-O 3.39Å; D148-N153 PolarHBondContact N-O 2.9Å; T151-N153 PolarHBondContact O-N 3.2Å; T151-N153 VanDerWaalsContact O-N 3.17Å; T151-N153 PolarHBondContact O-ND2 2.97Å; N153-N155 PolarHBondContact O-N 3.33Å; N153-N155 VanDerWaalsContact O-N 3.15Å |
| 154 | V | 80.3 | Confident | 84.1 | Confident | 11 Ų | 11 | 46.4 Ų | 46.4 | 7% | 0.067 | 27% | 0.271 | C | S | . | . | B | Isolated β-bridge | trans | -56.8 | 119.5 | 171.3 | 173 | 0 | 0 | 0 | 0 | 110.1 | I134 F136 A141 C145 T156 | I134-V154 HydrophobicContact CD1-CG1 4.27Å; F136-V154 HydrophobicContact CD1-CB 3.78Å; F136-V154 HydrophobicContact CD1-CG1 4.17Å; F136-V154 HydrophobicContact CE1-CB 3.77Å; F136-V154 HydrophobicContact CE1-CG1 3.7Å; F136-V154 HydrophobicContact CZ-CG1 4.33Å; A141-V154 HydrophobicContact CB-CG2 4.15Å; A141-V154 WeakPolarHBondContact O-CG2 3.45Å; C145-V154 HydrophobicContact CB-CB 4.37Å; C145-V154 HydrophobicContact CB-CG1 3.45Å; C145-V154 VanDerWaalsContact CB-CG1 3.45Å; C145-V154 HydrophobicContact CB-CG2 4.08Å; V154-T156 PolarHBondContact O-N 2.87Å |
| 155 | N | 79.9 | Confident | 84.2 | Confident | 34 Ų | 34 | 47.4 Ų | 47.4 | 18% | 0.182 | 28% | 0.276 | C | S | . | . | trans | -69.9 | 112.5 | 174.5 | -178.2 | -4.9 | 0 | 0 | 0 | 108.7 | A146 D148 N153 N157 G158 | A146-N155 WeakPolarHBondContact O-CB 3.37Å; A146-N155 PolarHBondContact O-N 3.4Å; D148-N155 HydrophobicContact CB-CB 4.01Å; N153-N155 PolarHBondContact O-N 3.33Å; N153-N155 VanDerWaalsContact O-N 3.15Å; N155-N157 PolarHBondContact O-N 3.26Å; N155-N157 PolarHBondContact OD1-N 3.2Å; N155-G158 PolarHBondContact O-N 3.45Å | ||
| 156 | T | 74 | Confident | 84.1 | Confident | 54 Ų | 54 | 51 Ų | 51 | 33% | 0.331 | 30% | 0.299 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -56.5 | -38 | 178.6 | 50.7 | 0 | 0 | 0 | 0 | 112.1 | F136 V154 G158 T189 | F136-T156 HydrophobicContact CE1-CG2 3.97Å; F136-T156 HydrophobicContact CZ-CG2 3.96Å; V154-T156 PolarHBondContact O-N 2.87Å; T156-G158 PolarHBondContact O-N 2.93Å; T156-T189 WeakPolarHBondContact O-CG2 3.41Å; T156-T189 PolarHBondContact O-OG1 3.47Å |
| 157 | N | 76.3 | Confident | 84.2 | Confident | 105 Ų | 105 | 57.1 Ų | 57.1 | 56% | 0.561 | 33% | 0.33 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -84.8 | -0.7 | -175.5 | -54.5 | -1.8 | 0 | 0 | 0 | 112.4 | N155 | N155-N157 PolarHBondContact O-N 3.26Å; N155-N157 PolarHBondContact OD1-N 3.2Å |
| 158 | G | 81.5 | Confident | 84.5 | Confident | 0 Ų | 0 | 63.4 Ų | 63.4 | 0% | 0 | 35% | 0.349 | C | S | . | . | S | Bend | trans | -89.9 | 169.6 | 177.6 | 0 | 0 | 0 | 0 | 0 | 112.9 | N155 T156 | N155-G158 PolarHBondContact O-N 3.45Å; T156-G158 PolarHBondContact O-N 2.93Å |
| 159 | P | 89.6 | Confident | 85 | Confident | 0 Ų | 0 | 66.1 Ų | 66.1 | 0% | 0 | 36% | 0.36 | C | S | . | . | trans | -73.2 | 145.6 | 172.8 | 30 | -31.8 | 0 | 0 | 0 | 111.3 | A146 A186 V187 L198 V290 T292 I317 | A146-P159 HydrophobicContact CB-CG 4.3Å; A146-P159 PolarHBondContact N-O 2.96Å; P159-A186 HydrophobicContact CB-CB 4.46Å; P159-V187 CarbonylContact C-O 3.52Å; P159-V187 WeakPolarHBondContact CA-O 3.03Å; P159-L198 HydrophobicContact CB-CD2 3.95Å; P159-V290 HydrophobicContact CB-CG1 4.37Å; P159-T292 HydrophobicContact CG-CG2 4.46Å; P159-I317 HydrophobicContact CB-CD1 3.9Å; P159-I317 HydrophobicContact CB-CG1 4.18Å; P159-I317 HydrophobicContact CG-CD1 4.22Å; P159-I317 HydrophobicContact CG-CG1 3.97Å; P159-I317 HydrophobicContact CG-CG2 4.33Å; P159-I317 WeakPolarHBondContact O-CG2 3.47Å | ||
| 160 | C | 91 | Very high | 85.6 | Confident | 0 Ų | 0 | 62.3 Ų | 62.3 | 0% | 0 | 33% | 0.33 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.8 | 138.9 | 166.5 | -72.6 | 0 | 0 | 0 | 0 | 109.1 | L65 E144 C145 A186 V187 | L65-C160 HydrophobicContact CD1-CB 3.92Å; L65-C160 HydrophobicContact CD2-CB 4.34Å; L65-C160 WeakPolarHBondContact CD2-SG 3.24Å; E144-C160 WeakPolarHBondContact O-CA 3.28Å; C145-C160 HydrophobicContact CB-CB 4.05Å; C145-C160 WeakPolarHBondContact CB-SG 3.48Å; C145-C160 WeakPolarHBondContact SG-CB 3.39Å; C145-C160 CovalentContact SG-SG 2.03Å; C145-C160 PolarHBondContact SG-SG 2.86Å; C160-A186 CarbonylContact O-C 3.55Å; C160-A186 WeakPolarHBondContact O-CA 3.42Å; C160-A186 WeakPolarHBondContact O-CB 3.28Å; C160-V187 PolarHBondContact N-O 2.92Å; C160-V187 PolarHBondContact O-N 2.88Å |
| 161 | F | 92.6 | Very high | 86.3 | Confident | 3 Ų | 3 | 58 Ų | 58 | 1% | 0.013 | 32% | 0.315 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -61.5 | 139.6 | 169.9 | -66.8 | -63.7 | 0 | 0 | 0 | 111 | R132 E144 C184 D185 V290 I317 R319 | R132-F161 WeakPolarHBondContact CD-O 3.42Å; R132-F161 PolarHBondContact NE-O 2.9Å; R132-F161 PolarHBondContact NH1-O 3.05Å; E144-F161 HydrophobicContact CB-CD2 4.44Å; E144-F161 WeakPolarHBondContact O-CD2 3.5Å; E144-F161 PolarHBondContact O-N 2.8Å; F161-C184 HydrophobicContact CE1-CB 4.3Å; F161-D185 CarbonylContact C-O 3.6Å; F161-D185 WeakPolarHBondContact CA-O 3.28Å; F161-V290 HydrophobicContact CE1-CG2 3.97Å; F161-I317 HydrophobicContact CD1-CD1 3.71Å; F161-I317 HydrophobicContact CD2-CD1 3.83Å; F161-I317 HydrophobicContact CE1-CD1 3.66Å; F161-I317 HydrophobicContact CE1-CG1 3.97Å; F161-I317 HydrophobicContact CE2-CB 3.9Å; F161-I317 HydrophobicContact CE2-CD1 3.79Å; F161-I317 HydrophobicContact CE2-CG1 3.99Å; F161-I317 HydrophobicContact CG-CD1 3.78Å; F161-I317 HydrophobicContact CZ-CB 3.95Å; F161-I317 HydrophobicContact CZ-CD1 3.68Å; F161-I317 HydrophobicContact CZ-CG1 3.67Å; F161-R319 HydrophobicContact CE1-CB 3.96Å; F161-R319 HydrophobicContact CE2-CB 3.77Å; F161-R319 VanDerWaalsContact CG-NH2 3.33Å; F161-R319 HydrophobicContact CZ-CB 3.37Å |
| 162 | L | 89.8 | Confident | 86.9 | Confident | 5 Ų | 5 | 54.8 Ų | 54.8 | 3% | 0.026 | 30% | 0.296 | C | S | . | . | S | Bend | trans | -72.6 | -44.6 | -179.6 | 179.7 | 59.1 | 0 | 0 | 0 | 111.1 | R113 S130 V131 R132 D185 V187 | R113-L162 HydrophobicContact CG-CD2 3.72Å; S130-L162 WeakPolarHBondContact OG-CD2 3.48Å; V131-L162 WeakPolarHBondContact O-CD1 3.47Å; R132-L162 HydrophobicContact CB-CD1 4.18Å; R132-L162 VanDerWaalsContact CD-O 3.24Å; R132-L162 WeakPolarHBondContact CD-O 3.48Å; R132-L162 PolarHBondContact NH1-O 2.89Å; L162-D185 HydrophobicContact CB-CB 3.94Å; L162-D185 HydrophobicContact CD2-CB 4.04Å; L162-D185 PolarHBondContact N-O 2.83Å; L162-V187 HydrophobicContact CD1-CG1 4.17Å |
| 163 | T | 89.2 | Confident | 87.6 | Confident | 44 Ų | 44 | 56.6 Ų | 56.6 | 27% | 0.27 | 30% | 0.299 | S | S | . | . | S | Bend | trans | -98 | 138.5 | 177.7 | 52.8 | 0 | 0 | 0 | 0 | 110.8 | D183 R319 | T163-D183 WeakPolarHBondContact CB-OD2 3.28Å; T163-D183 WeakPolarHBondContact CG2-OD2 3.5Å; T163-D183 PolarHBondContact OG1-OD2 2.81Å; T163-R319 PolarHBondContact O-NH2 2.73Å; T163-R319 PolarHBondContact OG1-NH1 3.31Å |
| 164 | S | 88.2 | Confident | 88.2 | Confident | 63 Ų | 63 | 55.1 Ų | 55.1 | 44% | 0.441 | 29% | 0.287 | S | S | . | . | trans | -91.8 | 127.7 | 165.3 | -63.1 | 0 | 0 | 0 | 0 | 108.4 | R132 E144 | R132-S164 PolarHBondContact NH1-OG 3.48Å; R132-S164 PolarHBondContact NH2-OG 2.89Å; R132-S164 VanDerWaalsContact NH2-OG 3.08Å; E144-S164 VanDerWaalsContact CD-OG 3.24Å; E144-S164 WeakPolarHBondContact OE1-CA 3.27Å; E144-S164 WeakPolarHBondContact OE1-CB 3.38Å; E144-S164 PolarHBondContact OE1-OG 2.98Å; E144-S164 VanDerWaalsContact OE1-OG 3.11Å; E144-S164 PolarHBondContact OE2-OG 2.83Å | ||
| 165 | L | 89.8 | Confident | 88.6 | Confident | 38 Ų | 38 | 57.2 Ų | 57.2 | 20% | 0.199 | 30% | 0.303 | C | S | . | . | trans | -112.5 | 139.1 | -175.2 | -61.7 | -176.3 | 0 | 0 | 0 | 110.8 | E169 L170 F321 | L165-E169 HydrophobicContact CB-CB 4.21Å; L165-E169 HydrophobicContact CD2-CB 4.34Å; L165-L170 HydrophobicContact CB-CD2 4.05Å; L165-L170 HydrophobicContact CB-CG 4.15Å; L165-L170 HydrophobicContact CD1-CD2 3.96Å; L165-F321 HydrophobicContact CD1-CE1 3.72Å; L165-F321 HydrophobicContact CD1-CZ 4.2Å | ||
| 166 | T | 90.1 | Very high | 89 | Confident | 80 Ų | 80 | 59.4 Ų | 59.4 | 49% | 0.491 | 31% | 0.308 | S | S | . | . | trans | -78.1 | 160.3 | 173.5 | 64 | 0 | 0 | 0 | 0 | 111.6 | R168 E169 L170 | T166-R168 PolarHBondContact O-N 3.11Å; T166-E169 WeakPolarHBondContact CB-OE2 2.97Å; T166-E169 WeakPolarHBondContact CG2-OE2 3.35Å; T166-E169 PolarHBondContact N-OE2 3.03Å; T166-E169 PolarHBondContact O-N 3.28Å; T166-E169 PolarHBondContact OG1-OE2 3.09Å; T166-L170 PolarHBondContact O-N 3.2Å | ||
| 167 | D | 88.9 | Confident | 89.5 | Confident | 130 Ų | 130 | 58.7 Ų | 58.7 | 70% | 0.695 | 31% | 0.312 | S | S | * | . | H | α-helix | trans | -53.8 | -29.6 | 175.3 | -65.3 | -37.3 | 0 | 0 | 0 | 113.2 | N171 | D167-N171 VanDerWaalsContact O-CB 3.31Å; D167-N171 WeakPolarHBondContact O-CB 3.45Å; D167-N171 PolarHBondContact O-N 2.72Å; D167-N171 PolarHBondContact O-ND2 2.89Å |
| 168 | R | 91 | Very high | 90.2 | Very high | 216 Ų | 216 | 56.6 Ų | 56.6 | 82% | 0.815 | 30% | 0.301 | S | S | * | . | H | α-helix | trans | -71.8 | -31.4 | 176.9 | -176.2 | 178.8 | 176.3 | -170.3 | -2 | 112.9 | T166 N171 | T166-R168 PolarHBondContact O-N 3.11Å; R168-N171 CarbonylContact O-C 3.47Å |
| 169 | E | 91.6 | Very high | 90.7 | Very high | 99 Ų | 99 | 61.6 Ų | 61.6 | 46% | 0.463 | 32% | 0.324 | S | S | . | . | H | α-helix | trans | -82.2 | -29.6 | 176.5 | -69 | 158.5 | 134.3 | 0 | 0 | 111.3 | L165 T166 P172 | L165-E169 HydrophobicContact CB-CB 4.21Å; L165-E169 HydrophobicContact CD2-CB 4.34Å; T166-E169 WeakPolarHBondContact CB-OE2 2.97Å; T166-E169 WeakPolarHBondContact CG2-OE2 3.35Å; T166-E169 PolarHBondContact N-OE2 3.03Å; T166-E169 PolarHBondContact O-N 3.28Å; T166-E169 PolarHBondContact OG1-OE2 3.09Å; E169-P172 WeakPolarHBondContact O-CD 3.45Å |
| 170 | L | 92.9 | Very high | 90.9 | Very high | 39 Ų | 39 | 62.1 Ų | 62.1 | 20% | 0.204 | 33% | 0.327 | C | S | . | . | H | α-helix | trans | -75.4 | -26.6 | 169.3 | -61.8 | 175.1 | 0 | 0 | 0 | 112.8 | L165 T166 P172 R319 F321 R322 | L165-L170 HydrophobicContact CB-CD2 4.05Å; L165-L170 HydrophobicContact CB-CG 4.15Å; L165-L170 HydrophobicContact CD1-CD2 3.96Å; T166-L170 PolarHBondContact O-N 3.2Å; L170-P172 WeakPolarHBondContact O-CD 3.34Å; L170-R319 HydrophobicContact CD2-CG 3.92Å; L170-F321 HydrophobicContact CD2-CD1 4.21Å; L170-F321 HydrophobicContact CD2-CE1 4.16Å; L170-F321 CarbonylContact O-C 3.49Å; L170-F321 WeakPolarHBondContact O-CA 3.3Å; L170-R322 PolarHBondContact O-N 3.33Å |
| 171 | N | 94.6 | Very high | 90.9 | Very high | 77 Ų | 77 | 66.1 Ų | 66.1 | 41% | 0.412 | 35% | 0.347 | S | S | . | . | S | Bend | trans | -116.5 | 59.6 | 176.5 | -61.3 | -93.8 | 0 | 0 | 0 | 111.9 | D167 R168 T173 R322 | D167-N171 VanDerWaalsContact O-CB 3.31Å; D167-N171 WeakPolarHBondContact O-CB 3.45Å; D167-N171 PolarHBondContact O-N 2.72Å; D167-N171 PolarHBondContact O-ND2 2.89Å; R168-N171 CarbonylContact O-C 3.47Å; N171-T173 PolarHBondContact O-N 2.93Å; N171-R322 WeakPolarHBondContact OD1-CB 3.37Å |
| 172 | P | 93.7 | Very high | 90.9 | Very high | 14 Ų | 14 | 66.1 Ų | 66.1 | 9% | 0.091 | 35% | 0.347 | C | S | . | . | trans | -70.4 | 130.3 | -173.2 | 29.3 | -33.5 | 0 | 0 | 0 | 111.1 | E169 L170 I180 F182 L323 T324 | E169-P172 WeakPolarHBondContact O-CD 3.45Å; L170-P172 WeakPolarHBondContact O-CD 3.34Å; P172-I180 HydrophobicContact CB-CD1 3.61Å; P172-I180 HydrophobicContact CG-CD1 3.45Å; P172-I180 VanDerWaalsContact CG-CD1 3.45Å; P172-F182 HydrophobicContact CG-CE1 3.99Å; P172-L323 HydrophobicContact CG-CD1 4.27Å; P172-T324 PolarHBondContact O-N 3.04Å | ||
| 173 | T | 93.3 | Very high | 91 | Very high | 81 Ų | 81 | 67.1 Ų | 67.1 | 50% | 0.497 | 35% | 0.353 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -104 | 123.4 | 169 | -54.3 | 0 | 0 | 0 | 0 | 109.8 | N171 T324 K326 | N171-T173 PolarHBondContact O-N 2.93Å; T173-T324 CarbonylContact C-O 3.47Å; T173-T324 VanDerWaalsContact CA-O 3.26Å; T173-T324 WeakPolarHBondContact CA-O 3.4Å; T173-T324 HydrophobicContact CG2-CG2 4.3Å; T173-K326 HydrophobicContact CG2-CD 4.3Å; T173-K326 HydrophobicContact CG2-CG 4Å |
| 174 | K | 93.3 | Very high | 91.2 | Very high | 64 Ų | 64 | 65 Ų | 65 | 28% | 0.278 | 34% | 0.34 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.7 | 159.9 | -178 | -69.1 | -70.9 | -174.7 | 151.5 | 0 | 110.9 | D178 H179 I180 L278 L323 T324 V325 K326 | K174-D178 HydrophobicContact CB-CB 4.2Å; K174-D178 HydrophobicContact CD-CB 4.23Å; K174-H179 PolarHBondContact NZ-O 3.1Å; K174-I180 HydrophobicContact CG-CD1 4.22Å; K174-L278 HydrophobicContact CB-CD1 3.55Å; K174-L278 HydrophobicContact CG-CD1 3.81Å; K174-L323 HydrophobicContact CB-CD1 4.42Å; K174-L323 HydrophobicContact CG-CD1 4.25Å; K174-T324 PolarHBondContact N-O 3.46Å; K174-V325 CarbonylContact O-C 3.56Å; K174-V325 WeakPolarHBondContact O-CA 3.42Å; K174-K326 PolarHBondContact O-N 3.03Å |
| 175 | S | 90.1 | Very high | 91.3 | Very high | 56 Ų | 56 | 62.3 Ų | 62.3 | 39% | 0.392 | 32% | 0.32 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.7 | 158 | 174.3 | -43.3 | 0 | 0 | 0 | 0 | 110.2 | G177 D178 | S175-G177 PolarHBondContact O-N 2.9Å; S175-D178 WeakPolarHBondContact CA-OD2 3.41Å; S175-D178 WeakPolarHBondContact CB-OD2 3.41Å; S175-D178 PolarHBondContact N-OD2 3.06Å; S175-D178 VanDerWaalsContact O-CB 3.31Å; S175-D178 WeakPolarHBondContact O-CB 3.39Å; S175-D178 PolarHBondContact O-N 2.88Å; S175-D178 PolarHBondContact OG-OD2 2.87Å |
| 176 | W | 87.3 | Confident | 91.3 | Very high | 79 Ų | 79 | 60.6 Ų | 60.6 | 30% | 0.299 | 31% | 0.312 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -55.1 | 135.3 | 167.7 | -173.2 | 98.4 | 0 | 0 | 0 | 110.3 | D178 L278 T279 K326 R328 E359 E360 | W176-D178 VanDerWaalsContact C-N 3.31Å; W176-D178 PolarHBondContact O-N 2.79Å; W176-L278 CarbonylContact C-O 3.56Å; W176-L278 WeakPolarHBondContact CA-O 3.26Å; W176-T279 HydrophobicContact CZ2-CG2 4.44Å; W176-K326 WeakPolarHBondContact CB-O 3.44Å; W176-K326 PolarHBondContact N-O 3.32Å; W176-K326 VanDerWaalsContact N-O 3.14Å; W176-R328 HydrophobicContact CB-CB 4.26Å; W176-R328 HydrophobicContact CD2-CB 4.26Å; W176-R328 HydrophobicContact CD2-CG 4.3Å; W176-R328 HydrophobicContact CE3-CG 4.17Å; W176-R328 HydrophobicContact CG-CB 4.09Å; W176-E359 PolarHBondContact NE1-O 2.75Å; W176-E360 HydrophobicContact CZ2-CG 3.9Å |
| 177 | G | 85.6 | Confident | 91.2 | Very high | 39 Ų | 39 | 56.8 Ų | 56.8 | 40% | 0.402 | 29% | 0.288 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 83.6 | -11.4 | -178 | 0 | 0 | 0 | 0 | 0 | 115.8 | S175 L278 | S175-G177 PolarHBondContact O-N 2.9Å; G177-L278 PolarHBondContact N-O 2.77Å |
| 178 | D | 91 | Very high | 90.9 | Very high | 62 Ų | 62 | 51.7 Ų | 51.7 | 33% | 0.332 | 26% | 0.261 | S | S | . | . | trans | -63.9 | 172.2 | 174.4 | -77.6 | -18.5 | 0 | 0 | 0 | 111.9 | K174 S175 W176 K277 L278 | K174-D178 HydrophobicContact CB-CB 4.2Å; K174-D178 HydrophobicContact CD-CB 4.23Å; S175-D178 WeakPolarHBondContact CA-OD2 3.41Å; S175-D178 WeakPolarHBondContact CB-OD2 3.41Å; S175-D178 PolarHBondContact N-OD2 3.06Å; S175-D178 VanDerWaalsContact O-CB 3.31Å; S175-D178 WeakPolarHBondContact O-CB 3.39Å; S175-D178 PolarHBondContact O-N 2.88Å; S175-D178 PolarHBondContact OG-OD2 2.87Å; W176-D178 VanDerWaalsContact C-N 3.31Å; W176-D178 PolarHBondContact O-N 2.79Å; D178-K277 PolarHBondContact O-N 2.94Å; D178-L278 HydrophobicContact CB-CD1 4.28Å; D178-L278 WeakPolarHBondContact O-CB 3.38Å; D178-L278 WeakPolarHBondContact O-CG 3.23Å; D178-L278 PolarHBondContact O-N 2.89Å | ||
| 179 | H | 91.1 | Very high | 90 | Very high | 105 Ų | 105 | 44 Ų | 44 | 49% | 0.486 | 24% | 0.238 | S | C | . | . | trans | -115.7 | 159.3 | 165.5 | 66.8 | -84 | 0 | 0 | 0 | 111.5 | K174 I275 D276 | K174-H179 PolarHBondContact NZ-O 3.1Å; H179-I275 WeakPolarHBondContact CA-O 3.44Å; H179-D276 WeakPolarHBondContact CB-OD1 3.5Å | ||
| 180 | I | 93.1 | Very high | 88.6 | Confident | 11 Ų | 11 | 40.2 Ų | 40.2 | 6% | 0.056 | 23% | 0.226 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -142.9 | 150.2 | 173.6 | -167.7 | 163.6 | 0 | 0 | 0 | 111.2 | P172 K174 F182 R274 I275 L278 L323 | P172-I180 HydrophobicContact CB-CD1 3.61Å; P172-I180 HydrophobicContact CG-CD1 3.45Å; P172-I180 VanDerWaalsContact CG-CD1 3.45Å; K174-I180 HydrophobicContact CG-CD1 4.22Å; I180-F182 HydrophobicContact CD1-CD1 4.17Å; I180-F182 HydrophobicContact CD1-CE1 3.56Å; I180-F182 HydrophobicContact CD1-CZ 3.99Å; I180-F182 HydrophobicContact CG1-CD1 4.4Å; I180-F182 HydrophobicContact CG1-CE1 4.18Å; I180-F182 HydrophobicContact CG1-CZ 4.5Å; I180-F182 HydrophobicContact CG2-CE2 4.24Å; I180-F182 HydrophobicContact CG2-CZ 4.17Å; I180-R274 WeakPolarHBondContact O-CA 3.19Å; I180-I275 HydrophobicContact CG2-CB 3.97Å; I180-I275 HydrophobicContact CG2-CG1 4.46Å; I180-I275 PolarHBondContact N-O 3.43Å; I180-I275 PolarHBondContact O-N 3.31Å; I180-L278 HydrophobicContact CB-CD1 4.17Å; I180-L278 HydrophobicContact CG2-CD1 3.93Å; I180-L278 HydrophobicContact CG2-CD2 4.05Å; I180-L278 HydrophobicContact CG2-CG 4.41Å; I180-L323 HydrophobicContact CD1-CD1 3.93Å; I180-L323 HydrophobicContact CG2-CD2 4.42Å |
| 181 | I | 92 | Very high | 86.7 | Confident | 84 Ų | 84 | 46 Ų | 46 | 43% | 0.431 | 26% | 0.263 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.7 | 122.6 | 170.2 | -57.6 | 171 | 0 | 0 | 0 | 106 | Q272 L273 R274 | I181-Q272 HydrophobicContact CG2-CB 4.1Å; I181-L273 WeakPolarHBondContact CA-O 3.42Å; I181-R274 HydrophobicContact CG1-CB 4.21Å; I181-R274 HydrophobicContact CG1-CG 4.07Å |
| 182 | F | 93.3 | Very high | 85.1 | Confident | 2 Ų | 2 | 46.9 Ų | 46.9 | 1% | 0.009 | 27% | 0.267 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.4 | 126.1 | 170.3 | -59.5 | -63.4 | 0 | 0 | 0 | 109.1 | P172 I180 W202 Q272 L273 I275 Y286 F321 L323 | P172-F182 HydrophobicContact CG-CE1 3.99Å; I180-F182 HydrophobicContact CD1-CD1 4.17Å; I180-F182 HydrophobicContact CD1-CE1 3.56Å; I180-F182 HydrophobicContact CD1-CZ 3.99Å; I180-F182 HydrophobicContact CG1-CD1 4.4Å; I180-F182 HydrophobicContact CG1-CE1 4.18Å; I180-F182 HydrophobicContact CG1-CZ 4.5Å; I180-F182 HydrophobicContact CG2-CE2 4.24Å; I180-F182 HydrophobicContact CG2-CZ 4.17Å; F182-W202 HydrophobicContact CB-CH2 3.47Å; F182-W202 VanDerWaalsContact CB-CH2 3.47Å; F182-W202 HydrophobicContact CB-CZ3 3.7Å; F182-W202 HydrophobicContact CD2-CZ3 4.45Å; F182-W202 HydrophobicContact CG-CZ3 4.37Å; F182-Q272 CarbonylContact O-C 3.58Å; F182-Q272 VanDerWaalsContact O-CA 3.24Å; F182-Q272 WeakPolarHBondContact O-CA 3.29Å; F182-L273 HydrophobicContact CB-CB 4.33Å; F182-L273 HydrophobicContact CD2-CB 4.26Å; F182-L273 HydrophobicContact CD2-CD2 4Å; F182-L273 HydrophobicContact CD2-CG 4.14Å; F182-L273 PolarHBondContact N-O 3.15Å; F182-L273 PolarHBondContact O-N 3.03Å; F182-I275 HydrophobicContact CD2-CD1 4.41Å; F182-I275 HydrophobicContact CE2-CD1 3.76Å; F182-I275 HydrophobicContact CE2-CG1 4.43Å; F182-Y286 HydrophobicContact CE2-CD1 4.17Å; F182-Y286 AromaticContact CE2-CD2 3.84Å; F182-Y286 HydrophobicContact CE2-CD2 3.84Å; F182-Y286 HydrophobicContact CE2-CE1 4.44Å; F182-Y286 HydrophobicContact CE2-CE2 4.13Å; F182-Y286 AromaticContact CE2-CG 3.87Å; F182-Y286 HydrophobicContact CE2-CG 3.87Å; F182-Y286 AromaticContact CZ-CD2 3.81Å; F182-Y286 HydrophobicContact CZ-CD2 3.81Å; F182-Y286 HydrophobicContact CZ-CE2 4.16Å; F182-Y286 HydrophobicContact CZ-CG 4.24Å; F182-F321 HydrophobicContact CB-CD1 4.47Å; F182-F321 HydrophobicContact CB-CD2 4.04Å; F182-F321 HydrophobicContact CB-CE1 4.22Å; F182-F321 HydrophobicContact CB-CE2 3.78Å; F182-F321 HydrophobicContact CB-CG 4.36Å; F182-F321 HydrophobicContact CB-CZ 3.86Å; F182-F321 HydrophobicContact CD1-CB 3.69Å; F182-F321 AromaticContact CD1-CD1 3.52Å; F182-F321 HydrophobicContact CD1-CD1 3.52Å; F182-F321 AromaticContact CD1-CD2 3.91Å; F182-F321 HydrophobicContact CD1-CD2 3.91Å; F182-F321 HydrophobicContact CD1-CE1 4.02Å; F182-F321 HydrophobicContact CD1-CE2 4.38Å; F182-F321 AromaticContact CD1-CG 3.44Å; F182-F321 HydrophobicContact CD1-CG 3.44Å; F182-F321 VanDerWaalsContact CD1-CG 3.44Å; F182-F321 HydrophobicContact CD1-CZ 4.41Å; F182-F321 HydrophobicContact CE1-CB 3.6Å; F182-F321 HydrophobicContact CE1-CD1 4.16Å; F182-F321 AromaticContact CE1-CG 3.91Å; F182-F321 HydrophobicContact CE1-CG 3.91Å; F182-F321 HydrophobicContact CG-CD1 4.37Å; F182-F321 HydrophobicContact CG-CD2 4.1Å; F182-F321 HydrophobicContact CG-CE2 4.34Å; F182-F321 HydrophobicContact CG-CG 4.1Å; F182-F321 HydrophobicContact CZ-CB 4.38Å; F182-L323 HydrophobicContact CZ-CB 4.03Å; F182-L323 HydrophobicContact CZ-CD2 4.02Å; F182-L323 HydrophobicContact CZ-CG 4.45Å |
| 183 | D | 91.6 | Very high | 83.6 | Confident | 27 Ų | 27 | 46.3 Ų | 46.3 | 14% | 0.144 | 26% | 0.264 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.9 | 117.1 | -176.9 | 176 | 20.3 | 0 | 0 | 0 | 111.8 | T163 D185 R319 F321 | T163-D183 WeakPolarHBondContact CB-OD2 3.28Å; T163-D183 WeakPolarHBondContact CG2-OD2 3.5Å; T163-D183 PolarHBondContact OG1-OD2 2.81Å; D183-D185 VanDerWaalsContact OD1-CB 3.25Å; D183-D185 WeakPolarHBondContact OD1-CB 3.36Å; D183-D185 PolarHBondContact OD1-N 2.8Å; D183-R319 WeakPolarHBondContact O-CD 3.47Å; D183-R319 PolarHBondContact O-NH1 2.93Å; D183-F321 WeakPolarHBondContact O-CZ 3.32Å |
| 184 | C | 92.2 | Very high | 82.5 | Confident | 0 Ų | 0 | 43.2 Ų | 43.2 | 0% | 0 | 25% | 0.246 | C | C | . | . | trans | -122.6 | 22.8 | 171 | -70.6 | 0 | 0 | 0 | 0 | 113.1 | F161 A186 Y200 W202 S271 C288 F321 | F161-C184 HydrophobicContact CE1-CB 4.3Å; C184-A186 PolarHBondContact O-N 2.92Å; C184-Y200 VanDerWaalsContact O-CE1 3.25Å; C184-Y200 WeakPolarHBondContact O-CE1 3.16Å; C184-W202 HydrophobicContact CB-CH2 4.03Å; C184-W202 HydrophobicContact CB-CZ2 3.73Å; C184-W202 WeakPolarHBondContact SG-CH2 3.34Å; C184-S271 CarbonylContact C-O 3.55Å; C184-S271 WeakPolarHBondContact CA-O 3.36Å; C184-S271 WeakPolarHBondContact CB-O 3.29Å; C184-S271 PolarHBondContact N-O 3Å; C184-C288 HydrophobicContact CB-CB 3.69Å; C184-C288 WeakPolarHBondContact CB-SG 3.33Å; C184-C288 WeakPolarHBondContact SG-CB 3.5Å; C184-C288 CovalentContact SG-SG 2.01Å; C184-C288 PolarHBondContact SG-SG 3.08Å; C184-F321 VanDerWaalsContact SG-CE2 3.53Å | ||
| 185 | D | 90.1 | Very high | 81.5 | Confident | 5 Ų | 5 | 41.2 Ų | 41.2 | 3% | 0.027 | 24% | 0.238 | C | C | . | . | trans | -50.2 | 134.4 | 172.7 | -71.7 | -42.5 | 0 | 0 | 0 | 111.2 | R113 F161 L162 D183 S271 Q272 | R113-D185 IonicContact CZ-OD2 3.44Å; R113-D185 VanDerWaalsContact CZ-OD2 3.27Å; R113-D185 IonicContact NE-OD2 2.85Å; R113-D185 PolarHBondContact NE-OD2 2.93Å; R113-D185 IonicContact NH2-OD1 3.02Å; R113-D185 PolarHBondContact NH2-OD1 2.81Å; R113-D185 IonicContact NH2-OD2 3.19Å; R113-D185 PolarHBondContact NH2-OD2 3Å; F161-D185 CarbonylContact C-O 3.6Å; F161-D185 WeakPolarHBondContact CA-O 3.28Å; L162-D185 HydrophobicContact CB-CB 3.94Å; L162-D185 HydrophobicContact CD2-CB 4.04Å; L162-D185 PolarHBondContact N-O 2.83Å; D183-D185 VanDerWaalsContact OD1-CB 3.25Å; D183-D185 WeakPolarHBondContact OD1-CB 3.36Å; D183-D185 PolarHBondContact OD1-N 2.8Å; D185-S271 PolarHBondContact N-O 3.03Å; D185-S271 WeakPolarHBondContact OD1-CB 3.29Å; D185-S271 PolarHBondContact OD1-OG 3.29Å; D185-Q272 PolarHBondContact OD2-NE2 3.14Å | ||
| 186 | A | 90.1 | Very high | 80.7 | Confident | 3 Ų | 3 | 44.1 Ų | 44.1 | 3% | 0.025 | 25% | 0.249 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -137.8 | 157.6 | 179.4 | 0 | 0 | 0 | 0 | 0 | 111.2 | P159 C160 C184 L198 Y200 V290 I317 | P159-A186 HydrophobicContact CB-CB 4.46Å; C160-A186 CarbonylContact O-C 3.55Å; C160-A186 WeakPolarHBondContact O-CA 3.42Å; C160-A186 WeakPolarHBondContact O-CB 3.28Å; C184-A186 PolarHBondContact O-N 2.92Å; A186-L198 HydrophobicContact CB-CD1 4.03Å; A186-L198 WeakPolarHBondContact O-CD1 3.07Å; A186-Y200 HydrophobicContact CB-CE1 4.33Å; A186-Y200 PolarHBondContact N-OH 3.27Å; A186-Y200 PolarHBondContact O-OH 3.2Å; A186-V290 HydrophobicContact CB-CG1 4.03Å; A186-V290 HydrophobicContact CB-CG2 4.28Å; A186-I317 HydrophobicContact CB-CD1 4.09Å |
| 187 | V | 88.9 | Confident | 80.4 | Confident | 0 Ų | 0 | 42 Ų | 42 | 0% | 0 | 24% | 0.243 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.9 | 162.7 | 172.7 | -58.5 | 0 | 0 | 0 | 0 | 110.3 | L65 R132 P159 C160 L162 L195 | L65-V187 HydrophobicContact CB-CG2 4.3Å; L65-V187 HydrophobicContact CD1-CG2 4.24Å; R132-V187 HydrophobicContact CB-CG2 3.4Å; R132-V187 VanDerWaalsContact CB-CG2 3.4Å; R132-V187 HydrophobicContact CG-CG2 4.17Å; P159-V187 CarbonylContact C-O 3.52Å; P159-V187 WeakPolarHBondContact CA-O 3.03Å; C160-V187 PolarHBondContact N-O 2.92Å; C160-V187 PolarHBondContact O-N 2.88Å; L162-V187 HydrophobicContact CD1-CG1 4.17Å; V187-L195 HydrophobicContact CB-CD2 4.27Å; V187-L195 HydrophobicContact CG1-CD2 4.26Å |
| 188 | M | 82.5 | Confident | 80.4 | Confident | 22 Ų | 22 | 40.7 Ų | 40.7 | 11% | 0.108 | 23% | 0.227 | C | C | . | . | trans | -141.8 | 163.8 | 178.2 | 59.4 | 178.5 | -70.8 | 0 | 0 | 110.1 | G190 N197 L198 T292 | M188-G190 VanDerWaalsContact C-N 3.28Å; M188-G190 PolarHBondContact O-N 3.17Å; M188-N197 HydrophobicContact CE-CB 4.22Å; M188-N197 HydrophobicContact SD-CB 3.65Å; M188-L198 HydrophobicContact CB-CD2 4.39Å; M188-L198 HydrophobicContact CG-CD2 4.2Å; M188-L198 HydrophobicContact CG-CG 4.47Å; M188-L198 HydrophobicContact SD-CD2 3.72Å; M188-L198 HydrophobicContact SD-CG 4.14Å; M188-T292 HydrophobicContact CE-CG2 4.13Å; M188-T292 HydrophobicContact SD-CG2 4.06Å | ||
| 189 | T | 71 | Confident | 80.1 | Confident | 55 Ų | 55 | 40.8 Ų | 40.8 | 34% | 0.337 | 23% | 0.227 | S | C | . | . | trans | -77 | 77.7 | 171.6 | 63.4 | 0 | 0 | 0 | 0 | 111.2 | L65 T156 | L65-T189 HydrophobicContact CB-CG2 3.94Å; L65-T189 HydrophobicContact CD2-CG2 4.07Å; L65-T189 HydrophobicContact CG-CG2 4.42Å; T156-T189 WeakPolarHBondContact O-CG2 3.41Å; T156-T189 PolarHBondContact O-OG1 3.47Å | ||
| 190 | G | 62.8 | Low | 80.1 | Confident | 20 Ų | 20 | 36.9 Ų | 36.9 | 21% | 0.206 | 21% | 0.208 | C | C | . | . | trans | -81.4 | 134.8 | 162 | 0 | 0 | 0 | 0 | 0 | 110.3 | M188 D192 G193 | M188-G190 VanDerWaalsContact C-N 3.28Å; M188-G190 PolarHBondContact O-N 3.17Å; G190-D192 PolarHBondContact O-N 3.41Å; G190-G193 PolarHBondContact O-N 3.01Å; G190-G193 VanDerWaalsContact O-N 3.12Å | ||
| 191 | T | 53.5 | Low | 80 | Confident | 160 Ų | 160 | 39.1 Ų | 39.1 | 98% | 0.982 | 22% | 0.218 | S | C | * | . | S | Bend | trans | -67.8 | -22.7 | 171.6 | 46.1 | 0 | 0 | 0 | 0 | 112.6 | ||
| 192 | D | 60.5 | Low | 79.9 | Confident | 96 Ų | 96 | 35.1 Ų | 35.1 | 51% | 0.513 | 20% | 0.198 | S | C | . | . | S | Bend | trans | -94.4 | -7.8 | 172.1 | 59 | -5.6 | 0 | 0 | 0 | 112.9 | L62 G190 S194 | L62-D192 WeakPolarHBondContact CD2-O 3.34Å; G190-D192 PolarHBondContact O-N 3.41Å; D192-S194 PolarHBondContact O-N 2.88Å; D192-S194 PolarHBondContact OD1-N 3.47Å; D192-S194 WeakPolarHBondContact OD2-CB 3.24Å |
| 193 | G | 61.5 | Low | 79.7 | Confident | 2 Ų | 2 | 36.6 Ų | 36.6 | 2% | 0.021 | 21% | 0.205 | C | C | . | . | trans | 64.1 | 9.6 | -169.8 | 0 | 0 | 0 | 0 | 0 | 114.7 | L62 G63 G190 L195 | L62-G193 CarbonylContact C-O 3.56Å; L62-G193 VanDerWaalsContact CA-O 3.3Å; L62-G193 WeakPolarHBondContact CA-O 3.39Å; G63-G193 PolarHBondContact N-O 3.3Å; G63-G193 WeakPolarHBondContact O-CA 3.33Å; G190-G193 PolarHBondContact O-N 3.01Å; G190-G193 VanDerWaalsContact O-N 3.12Å; G193-L195 PolarHBondContact O-N 3.37Å | ||
| 194 | S | 70.3 | Confident | 79.5 | Confident | 16 Ų | 16 | 37.2 Ų | 37.2 | 11% | 0.112 | 21% | 0.206 | C | C | . | . | B | Isolated β-bridge | trans | -71.6 | 123.9 | -173.7 | 177.4 | 0 | 0 | 0 | 0 | 112 | D192 D196 | D192-S194 PolarHBondContact O-N 2.88Å; D192-S194 PolarHBondContact OD1-N 3.47Å; D192-S194 WeakPolarHBondContact OD2-CB 3.24Å; S194-D196 VanDerWaalsContact C-N 3.27Å; S194-D196 PolarHBondContact O-N 3.31Å; S194-D196 WeakPolarHBondContact OG-CB 3.39Å; S194-D196 PolarHBondContact OG-N 3.05Å; S194-D196 VanDerWaalsContact OG-N 3.14Å; S194-D196 PolarHBondContact OG-OD2 3.01Å |
| 195 | L | 73.6 | Confident | 78.9 | Confident | 22 Ų | 22 | 39.6 Ų | 39.6 | 12% | 0.115 | 22% | 0.218 | C | C | . | . | G | 310 helix | trans | -80.7 | -2.1 | 173.6 | -64.8 | -178.6 | 0 | 0 | 0 | 113.7 | R61 V187 G193 N197 L198 | R61-L195 HydrophobicContact CB-CB 4.37Å; R61-L195 HydrophobicContact CB-CD1 4.21Å; R61-L195 PolarHBondContact O-N 3.01Å; V187-L195 HydrophobicContact CB-CD2 4.27Å; V187-L195 HydrophobicContact CG1-CD2 4.26Å; G193-L195 PolarHBondContact O-N 3.37Å; L195-N197 PolarHBondContact O-N 3.42Å; L195-N197 VanDerWaalsContact O-N 3.08Å; L195-L198 HydrophobicContact CD2-CD1 3.87Å; L195-L198 PolarHBondContact O-N 3.33Å |
| 196 | D | 73.6 | Confident | 77.6 | Confident | 116 Ų | 116 | 40.7 Ų | 40.7 | 62% | 0.62 | 23% | 0.227 | S | C | * | . | G | 310 helix | trans | -62.3 | -17.9 | 178.7 | -61 | -39.6 | 0 | 0 | 0 | 113.4 | S194 L198 R293 | S194-D196 VanDerWaalsContact C-N 3.27Å; S194-D196 PolarHBondContact O-N 3.31Å; S194-D196 WeakPolarHBondContact OG-CB 3.39Å; S194-D196 PolarHBondContact OG-N 3.05Å; S194-D196 VanDerWaalsContact OG-N 3.14Å; S194-D196 PolarHBondContact OG-OD2 3.01Å; D196-L198 VanDerWaalsContact C-N 3.3Å; D196-R293 PolarHBondContact O-NE 3.41Å |
| 197 | N | 79.3 | Confident | 75.8 | Confident | 34 Ų | 34 | 47.1 Ų | 47.1 | 18% | 0.182 | 26% | 0.26 | C | S | . | . | G | 310 helix | trans | -77.7 | -10.8 | 176 | -68.6 | -56.1 | 0 | 0 | 0 | 113.4 | M188 L195 T292 R293 | M188-N197 HydrophobicContact CE-CB 4.22Å; M188-N197 HydrophobicContact SD-CB 3.65Å; L195-N197 PolarHBondContact O-N 3.42Å; L195-N197 VanDerWaalsContact O-N 3.08Å; N197-T292 CarbonylContact O-C 3.39Å; N197-T292 WeakPolarHBondContact O-CA 3.39Å; N197-R293 PolarHBondContact O-N 2.79Å |
| 198 | L | 85.6 | Confident | 73.7 | Confident | 12 Ų | 12 | 50.9 Ų | 50.9 | 6% | 0.063 | 28% | 0.284 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.1 | 134.3 | 177.7 | -60.9 | -177.6 | 0 | 0 | 0 | 111.6 | P159 A186 M188 L195 D196 Y200 V290 T292 | P159-L198 HydrophobicContact CB-CD2 3.95Å; A186-L198 HydrophobicContact CB-CD1 4.03Å; A186-L198 WeakPolarHBondContact O-CD1 3.07Å; M188-L198 HydrophobicContact CB-CD2 4.39Å; M188-L198 HydrophobicContact CG-CD2 4.2Å; M188-L198 HydrophobicContact CG-CG 4.47Å; M188-L198 HydrophobicContact SD-CD2 3.72Å; M188-L198 HydrophobicContact SD-CG 4.14Å; L195-L198 HydrophobicContact CD2-CD1 3.87Å; L195-L198 PolarHBondContact O-N 3.33Å; D196-L198 VanDerWaalsContact C-N 3.3Å; L198-Y200 HydrophobicContact CB-CE2 4.06Å; L198-Y200 WeakPolarHBondContact CD1-OH 3.36Å; L198-V290 HydrophobicContact CB-CG1 4.24Å; L198-V290 HydrophobicContact CD2-CG1 4.22Å; L198-T292 HydrophobicContact CD2-CG2 4.01Å |
| 199 | I | 86.5 | Confident | 71.4 | Confident | 64 Ų | 64 | 57.2 Ų | 57.2 | 33% | 0.328 | 32% | 0.318 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.4 | 119.9 | 171.6 | -62.8 | 170.5 | 0 | 0 | 0 | 107.8 | V290 R291 R293 | I199-V290 WeakPolarHBondContact O-CA 3.18Å; I199-R291 PolarHBondContact N-O 2.83Å; I199-R291 PolarHBondContact O-N 3.02Å; I199-R293 HydrophobicContact CD1-CG 3.59Å; I199-R293 HydrophobicContact CG1-CG 3.95Å |
| 200 | Y | 90.1 | Very high | 69.6 | Low | 24 Ų | 24 | 61.3 Ų | 61.3 | 9% | 0.094 | 34% | 0.338 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.5 | 141.9 | 171 | -54.3 | -89.5 | 0 | 0 | 0 | 109.4 | C184 A186 L198 H269 E270 V290 | C184-Y200 VanDerWaalsContact O-CE1 3.25Å; C184-Y200 WeakPolarHBondContact O-CE1 3.16Å; A186-Y200 HydrophobicContact CB-CE1 4.33Å; A186-Y200 PolarHBondContact N-OH 3.27Å; A186-Y200 PolarHBondContact O-OH 3.2Å; L198-Y200 HydrophobicContact CB-CE2 4.06Å; L198-Y200 WeakPolarHBondContact CD1-OH 3.36Å; Y200-H269 PolarHBondContact O-ND1 2.78Å; Y200-E270 WeakPolarHBondContact CB-O 3.43Å; Y200-V290 HydrophobicContact CD1-CB 4.38Å; Y200-V290 HydrophobicContact CD1-CG1 4.01Å; Y200-V290 HydrophobicContact CD1-CG2 3.66Å; Y200-V290 HydrophobicContact CE1-CB 4.43Å; Y200-V290 HydrophobicContact CE1-CG1 3.77Å; Y200-V290 HydrophobicContact CE1-CG2 3.77Å |
| 201 | Q | 90.4 | Very high | 68 | Low | 57 Ų | 57 | 67.5 Ų | 67.5 | 27% | 0.266 | 37% | 0.366 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -139.8 | 124.6 | 174.3 | 179.3 | -177.4 | -6.2 | 0 | 0 | 108.4 | C288 T289 | Q201-C288 CarbonylContact O-C 3.53Å; Q201-C288 WeakPolarHBondContact O-CA 3.44Å; Q201-T289 PolarHBondContact N-O 3.46Å; Q201-T289 PolarHBondContact O-N 3.17Å |
| 202 | W | 90.5 | Very high | 67.1 | Low | 0 Ų | 0 | 65 Ų | 65 | 0% | 0 | 35% | 0.345 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105 | 146.1 | 176.5 | -67.9 | 81.7 | 0 | 0 | 0 | 111.8 | F182 C184 L265 F268 E270 L273 Q287 C288 F321 | F182-W202 HydrophobicContact CB-CH2 3.47Å; F182-W202 VanDerWaalsContact CB-CH2 3.47Å; F182-W202 HydrophobicContact CB-CZ3 3.7Å; F182-W202 HydrophobicContact CD2-CZ3 4.45Å; F182-W202 HydrophobicContact CG-CZ3 4.37Å; C184-W202 HydrophobicContact CB-CH2 4.03Å; C184-W202 HydrophobicContact CB-CZ2 3.73Å; C184-W202 WeakPolarHBondContact SG-CH2 3.34Å; W202-L265 HydrophobicContact CB-CB 4.43Å; W202-L265 HydrophobicContact CB-CD2 4.2Å; W202-L265 CarbonylContact O-C 3.33Å; W202-F268 HydrophobicContact CB-CD1 4.43Å; W202-F268 AromaticContact CD1-CD1 3.47Å; W202-F268 VanDerWaalsContact CD1-CD1 3.47Å; W202-F268 AromaticContact CG-CD1 3.95Å; W202-F268 HydrophobicContact CG-CD1 3.95Å; W202-F268 AromaticContact NE1-CD1 3.84Å; W202-F268 AromaticContact NE1-CE1 3.94Å; W202-E270 PolarHBondContact NE1-O 2.8Å; W202-L273 HydrophobicContact CD2-CB 3.89Å; W202-L273 HydrophobicContact CD2-CD2 4.08Å; W202-L273 HydrophobicContact CE3-CB 3.92Å; W202-L273 HydrophobicContact CE3-CD2 3.67Å; W202-L273 HydrophobicContact CE3-CG 4.46Å; W202-L273 HydrophobicContact CH2-CB 3.79Å; W202-L273 HydrophobicContact CZ2-CB 3.75Å; W202-L273 HydrophobicContact CZ3-CB 3.87Å; W202-L273 HydrophobicContact CZ3-CD2 4.09Å; W202-Q287 CarbonylContact C-O 3.55Å; W202-Q287 WeakPolarHBondContact CA-O 3.47Å; W202-C288 HydrophobicContact CD2-CB 3.75Å; W202-C288 HydrophobicContact CE3-CB 3.72Å; W202-C288 HydrophobicContact CG-CB 4.45Å; W202-C288 HydrophobicContact CH2-CB 3.89Å; W202-C288 HydrophobicContact CZ2-CB 3.92Å; W202-C288 HydrophobicContact CZ3-CB 3.79Å; W202-F321 AromaticContact CH2-CE2 3.84Å; W202-F321 HydrophobicContact CH2-CE2 3.84Å; W202-F321 HydrophobicContact CZ3-CD2 4.11Å; W202-F321 AromaticContact CZ3-CE2 3.8Å; W202-F321 HydrophobicContact CZ3-CE2 3.8Å |
| 203 | E | 88.7 | Confident | 65.8 | Low | 34 Ų | 34 | 66.9 Ų | 66.9 | 16% | 0.159 | 36% | 0.356 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -139.7 | 152.9 | 170.1 | 63.8 | 173.8 | -110.3 | 0 | 0 | 111.1 | I205 R237 Y286 Q287 | E203-I205 HydrophobicContact CG-CG1 4.41Å; E203-I205 WeakPolarHBondContact OE1-CD1 3.34Å; E203-I205 WeakPolarHBondContact OE1-CG1 3.17Å; E203-R237 VanDerWaalsContact CD-NH1 3.28Å; E203-R237 IonicContact OE1-CZ 3.82Å; E203-R237 IonicContact OE1-NE 2.77Å; E203-R237 IonicContact OE1-NH1 2.74Å; E203-R237 PolarHBondContact OE1-NH1 2.03Å; E203-R237 IonicContact OE1-NH2 3.21Å; E203-R237 PolarHBondContact OE1-NH2 2.91Å; E203-R237 IonicContact OE2-CZ 3.94Å; E203-R237 IonicContact OE2-NH1 2.8Å; E203-R237 PolarHBondContact OE2-NH1 2.81Å; E203-R237 IonicContact OE2-NH2 2.78Å; E203-Y286 WeakPolarHBondContact O-CA 3.36Å; E203-Q287 HydrophobicContact CG-CB 3.74Å; E203-Q287 HydrophobicContact CG-CG 4.46Å; E203-Q287 PolarHBondContact N-O 3.03Å; E203-Q287 PolarHBondContact O-N 3.4Å; E203-Q287 PolarHBondContact OE1-OE1 2.79Å |
| 204 | F | 86.9 | Confident | 64.2 | Low | 40 Ų | 40 | 73.3 Ų | 73.3 | 18% | 0.175 | 39% | 0.39 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.5 | 122 | 170.5 | 176.6 | -109 | 0 | 0 | 0 | 109.4 | V242 L265 Y286 | F204-V242 HydrophobicContact CD1-CG2 3.64Å; F204-V242 HydrophobicContact CE1-CG2 3.44Å; F204-V242 VanDerWaalsContact CE1-CG2 3.44Å; F204-V242 HydrophobicContact CG-CG2 4.35Å; F204-V242 HydrophobicContact CZ-CG2 4.02Å; F204-L265 HydrophobicContact CB-CD1 3.47Å; F204-L265 VanDerWaalsContact CB-CD1 3.47Å; F204-Y286 HydrophobicContact CB-CD1 4.45Å; F204-Y286 HydrophobicContact CB-CE1 4.43Å; F204-Y286 AromaticContact CD2-CD1 3.93Å; F204-Y286 HydrophobicContact CD2-CD1 3.93Å; F204-Y286 HydrophobicContact CD2-CD2 4.09Å; F204-Y286 AromaticContact CD2-CE1 3.59Å; F204-Y286 HydrophobicContact CD2-CE1 3.59Å; F204-Y286 AromaticContact CD2-CE2 3.76Å; F204-Y286 HydrophobicContact CD2-CE2 3.76Å; F204-Y286 HydrophobicContact CD2-CG 4.17Å; F204-Y286 AromaticContact CD2-CZ 3.5Å; F204-Y286 VanDerWaalsContact CD2-CZ 3.5Å; F204-Y286 HydrophobicContact CE2-CD2 4.37Å; F204-Y286 HydrophobicContact CE2-CE1 4.22Å; F204-Y286 AromaticContact CE2-CE2 3.72Å; F204-Y286 HydrophobicContact CE2-CE2 3.72Å; F204-Y286 AromaticContact CE2-CZ 3.64Å; F204-Y286 HydrophobicContact CG-CE1 4.39Å |
| 205 | I | 81 | Confident | 62.5 | Low | 49 Ų | 49 | 79.4 Ų | 79.4 | 25% | 0.251 | 42% | 0.421 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.4 | 91.1 | 178.4 | -56.1 | 170.1 | 0 | 0 | 0 | 106.1 | E203 N207 E285 Q287 | E203-I205 HydrophobicContact CG-CG1 4.41Å; E203-I205 WeakPolarHBondContact OE1-CD1 3.34Å; E203-I205 WeakPolarHBondContact OE1-CG1 3.17Å; I205-N207 PolarHBondContact O-N 3.33Å; I205-E285 HydrophobicContact CB-CB 4.13Å; I205-E285 HydrophobicContact CB-CG 4.5Å; I205-E285 HydrophobicContact CD1-CG 4.39Å; I205-E285 PolarHBondContact N-O 3.25Å; I205-E285 PolarHBondContact O-N 2.74Å; I205-Q287 HydrophobicContact CD1-CB 3.98Å |
| 206 | S | 62.1 | Low | 60.4 | Low | 29 Ų | 29 | 86 Ų | 86 | 20% | 0.203 | 46% | 0.456 | C | S | . | . | trans | -70.2 | 127.4 | 175.1 | 63.4 | 0 | 0 | 0 | 0 | 110 | T208 | S206-T208 PolarHBondContact O-N 2.94Å; S206-T208 PolarHBondContact OG-OG1 2.89Å | ||
| 207 | N | 52.9 | Low | 58.4 | Low | 137 Ų | 137 | 88.9 Ų | 88.9 | 73% | 0.733 | 47% | 0.471 | S | S | * | . | trans | -77 | 31.9 | -177.7 | -158.8 | 11.8 | 0 | 0 | 0 | 113.7 | I205 N209 | I205-N207 PolarHBondContact O-N 3.33Å; N207-N209 VanDerWaalsContact C-N 3.27Å; N207-N209 PolarHBondContact O-N 3.08Å; N207-N209 VanDerWaalsContact O-N 3.14Å | ||
| 208 | T | 45.5 | Very low | 56 | Low | 80 Ų | 80 | 99 Ų | 99 | 49% | 0.491 | 51% | 0.506 | S | S | . | . | trans | -88.9 | 53 | -176 | 52.9 | 0 | 0 | 0 | 0 | 112.1 | S206 N210 | S206-T208 PolarHBondContact O-N 2.94Å; S206-T208 PolarHBondContact OG-OG1 2.89Å; T208-N210 PolarHBondContact O-N 2.81Å | ||
| 209 | N | 32.4 | Very low | 53.3 | Low | 154 Ų | 154 | 103.2 Ų | 103.2 | 82% | 0.824 | 54% | 0.537 | S | S | * | . | trans | -75.5 | 72.6 | 167 | -91.3 | -25.3 | 0 | 0 | 0 | 110.3 | N207 | N207-N209 VanDerWaalsContact C-N 3.27Å; N207-N209 PolarHBondContact O-N 3.08Å; N207-N209 VanDerWaalsContact O-N 3.14Å | ||
| 210 | N | 34.9 | Very low | 50.7 | Low | 141 Ų | 141 | 106.5 Ų | 106.5 | 75% | 0.754 | 56% | 0.56 | S | S | * | * | S | Bend | trans | -131.5 | 98.2 | 171.3 | -88.1 | -30.5 | 0 | 0 | 0 | 110.4 | T208 I212 | T208-N210 PolarHBondContact O-N 2.81Å; N210-I212 PolarHBondContact O-N 2.95Å |
| 211 | N | 28.2 | Very low | 47.8 | Very low | 150 Ų | 150 | 114.3 Ų | 114.3 | 80% | 0.802 | 59% | 0.594 | S | S | * | * | trans | 39.1 | 60.8 | 153.9 | -66.4 | -17.7 | 0 | 0 | 0 | 118.2 | N213 | N211-N213 PolarHBondContact O-N 2.84Š| ||
| 212 | I | 34.4 | Very low | 45 | Very low | 107 Ų | 107 | 120.6 Ų | 120.6 | 55% | 0.549 | 62% | 0.624 | S | S | . | * | trans | -90 | 92.8 | 150.5 | -66.2 | 172.8 | 0 | 0 | 0 | 107.2 | N210 N214 | N210-I212 PolarHBondContact O-N 2.95Å; I212-N214 PolarHBondContact O-N 2.89Å | ||
| 213 | N | 32.5 | Very low | 42.2 | Very low | 137 Ų | 137 | 126 Ų | 126 | 73% | 0.733 | 66% | 0.657 | S | S | * | * | trans | -57.1 | 125.6 | 167.6 | -79 | -30.2 | 0 | 0 | 0 | 108.7 | N211 N215 | N211-N213 PolarHBondContact O-N 2.84Å; N213-N215 PolarHBondContact O-N 2.95Å | ||
| 214 | N | 28.5 | Very low | 39.6 | Very low | 137 Ų | 137 | 130.1 Ų | 130.1 | 73% | 0.733 | 69% | 0.689 | S | S | * | * | S | Bend | trans | -61.9 | 92.2 | 177.4 | -74.3 | -38.5 | 0 | 0 | 0 | 110.8 | I212 | I212-N214 PolarHBondContact O-N 2.89Š|
| 215 | N | 33.9 | Very low | 36.9 | Very low | 144 Ų | 144 | 135.6 Ų | 135.6 | 77% | 0.77 | 72% | 0.72 | S | S | * | * | trans | -172.8 | 97.7 | 161.3 | -86.7 | -35.2 | 0 | 0 | 0 | 107.7 | N213 | N213-N215 PolarHBondContact O-N 2.95Š| ||
| 216 | N | 31.1 | Very low | 34.6 | Very low | 160 Ų | 160 | 139.3 Ų | 139.3 | 86% | 0.856 | 75% | 0.751 | S | S | * | * | trans | 154.6 | 0.1 | 150.1 | -77.9 | -21.7 | 0 | 0 | 0 | 117.3 | R218 | N216-R218 PolarHBondContact O-N 3.1Å; N216-R218 VanDerWaalsContact O-N 3.1Å | ||
| 217 | L | 31.5 | Very low | 33.2 | Very low | 176 Ų | 176 | 140.9 Ų | 140.9 | 92% | 0.921 | 77% | 0.771 | S | S | * | * | trans | -81.8 | 88.9 | 167.5 | -92.1 | 81.9 | 0 | 0 | 0 | 111.4 | ||||
| 218 | R | 27.6 | Very low | 32.2 | Very low | 246 Ų | 246 | 139.8 Ų | 139.8 | 93% | 0.928 | 77% | 0.774 | S | S | * | * | trans | -123.3 | 56.3 | 174 | -159.4 | -171.2 | -166.1 | -157.7 | 6.2 | 112.6 | N216 | N216-R218 PolarHBondContact O-N 3.1Å; N216-R218 VanDerWaalsContact O-N 3.1Å | ||
| 219 | S | 28.8 | Very low | 31.6 | Very low | 102 Ų | 102 | 142.9 Ų | 142.9 | 71% | 0.713 | 79% | 0.788 | S | S | * | * | trans | -171.8 | 130.1 | 163.1 | -160.8 | 0 | 0 | 0 | 0 | 105.8 | ||||
| 220 | V | 32.6 | Very low | 31.7 | Very low | 133 Ų | 133 | 141.2 Ų | 141.2 | 81% | 0.806 | 78% | 0.783 | S | S | * | * | cis | -135.1 | 146.9 | 29.9 | 172.4 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 221 | K | 29.6 | Very low | 31.4 | Very low | 187 Ų | 187 | 139.4 Ų | 139.4 | 81% | 0.813 | 78% | 0.782 | S | S | * | * | trans | -90.7 | 136.1 | 174.3 | -79.5 | 179.8 | 172.3 | -179.3 | 0 | 112.4 | ||||
| 222 | Q | 32 | Very low | 31.4 | Very low | 189 Ų | 189 | 139.9 Ų | 139.9 | 88% | 0.883 | 78% | 0.784 | S | S | * | * | trans | -169.4 | 101.6 | 144 | -103.3 | 170 | -3.3 | 0 | 0 | 104.9 | ||||
| 223 | V | 30.4 | Very low | 31.2 | Very low | 115 Ų | 115 | 140.7 Ų | 140.7 | 70% | 0.697 | 79% | 0.794 | S | S | * | * | 52.5 | 100.5 | 60.4 | -168.4 | 0 | 0 | 0 | 0 | 109.6 | |||||
| 224 | S | 33.9 | Very low | 30.9 | Very low | 119 Ų | 119 | 141.5 Ų | 141.5 | 83% | 0.832 | 80% | 0.797 | S | S | * | * | -150.9 | 166.2 | 82.8 | 41.5 | 0 | 0 | 0 | 0 | 115.9 | |||||
| 225 | N | 31.3 | Very low | 30.9 | Very low | 156 Ų | 156 | 141.1 Ų | 141.1 | 83% | 0.834 | 79% | 0.793 | S | S | * | * | trans | -83.9 | 137.9 | -163.8 | -58.2 | -28.8 | 0 | 0 | 0 | 115.7 | ||||
| 226 | S | 33.4 | Very low | 30.6 | Very low | 127 Ų | 127 | 141.6 Ų | 141.6 | 89% | 0.888 | 79% | 0.791 | S | S | * | * | 171.7 | 145.3 | 123.8 | 57.3 | 0 | 0 | 0 | 0 | 108.5 | |||||
| 227 | G | 31.9 | Very low | 30.6 | Very low | 62 Ų | 62 | 141.3 Ų | 141.3 | 64% | 0.639 | 78% | 0.777 | S | S | * | * | cis | 162.7 | 119.1 | -11.3 | 0 | 0 | 0 | 0 | 0 | 108.3 | ||||
| 228 | S | 31.9 | Very low | 30.5 | Very low | 114 Ų | 114 | 137.6 Ų | 137.6 | 80% | 0.797 | 76% | 0.755 | S | S | * | * | trans | 54.7 | 127.4 | 178.7 | 39.6 | 0 | 0 | 0 | 0 | 116.1 | ||||
| 229 | D | 33.2 | Very low | 30.6 | Very low | 145 Ų | 145 | 134 Ų | 134 | 78% | 0.775 | 74% | 0.742 | S | S | * | * | cis | -161.7 | 152.8 | 37.8 | -101.5 | -31.9 | 0 | 0 | 0 | 114.7 | ||||
| 230 | V | 34.9 | Very low | 30.7 | Very low | 119 Ų | 119 | 133.2 Ų | 133.2 | 72% | 0.721 | 73% | 0.729 | S | S | * | * | trans | 51.6 | 103.5 | 140 | -173.2 | 0 | 0 | 0 | 0 | 120.2 | ||||
| 231 | S | 27.3 | Very low | 30.6 | Very low | 103 Ų | 103 | 129.6 Ų | 129.6 | 72% | 0.72 | 71% | 0.705 | S | S | * | * | trans | 58.7 | 91.3 | 137.8 | -54.2 | 0 | 0 | 0 | 0 | 120.2 | ||||
| 232 | N | 28.8 | Very low | 30.7 | Very low | 159 Ų | 159 | 122 Ų | 122 | 85% | 0.85 | 67% | 0.674 | S | S | * | * | -146.7 | 155.7 | 128.2 | -100.8 | -36 | 0 | 0 | 0 | 110.5 | I234 | N232-I234 PolarHBondContact O-N 3.13Š| |||
| 233 | T | 29.6 | Very low | 30.8 | Very low | 124 Ų | 124 | 120 Ų | 120 | 76% | 0.761 | 66% | 0.659 | S | S | * | * | trans | -53.4 | 121.5 | -168.6 | 41.6 | 0 | 0 | 0 | 0 | 113.6 | I235 | T233-I235 VanDerWaalsContact C-N 3.32Å; T233-I235 PolarHBondContact O-N 3.38Å | ||
| 234 | I | 27.1 | Very low | 30.9 | Very low | 154 Ų | 154 | 118 Ų | 118 | 79% | 0.79 | 65% | 0.647 | S | S | * | * | trans | -72.8 | 86.4 | 175.3 | -56 | 174.9 | 0 | 0 | 0 | 109.1 | N232 H236 | N232-I234 PolarHBondContact O-N 3.13Å; I234-H236 PolarHBondContact O-N 3.03Å | ||
| 235 | I | 28.7 | Very low | 30.9 | Very low | 129 Ų | 129 | 113.7 Ų | 113.7 | 66% | 0.662 | 62% | 0.616 | S | S | * | * | trans | -69.1 | 116.8 | 157.9 | -61.5 | 178.2 | 0 | 0 | 0 | 106.2 | T233 R237 | T233-I235 VanDerWaalsContact C-N 3.32Å; T233-I235 PolarHBondContact O-N 3.38Å; I235-R237 HydrophobicContact CG2-CG 4.27Å; I235-R237 PolarHBondContact O-N 3.03Å | ||
| 236 | H | 26.4 | Very low | 30.8 | Very low | 154 Ų | 154 | 109.6 Ų | 109.6 | 71% | 0.713 | 60% | 0.599 | S | S | * | * | trans | -75.2 | 76.1 | -178.6 | -144 | 39.4 | 0 | 0 | 0 | 109.6 | I234 Q238 | I234-H236 PolarHBondContact O-N 3.03Å; H236-Q238 PolarHBondContact O-N 3.29Å; H236-Q238 VanDerWaalsContact O-N 3.08Å | ||
| 237 | R | 32.3 | Very low | 30.8 | Very low | 154 Ų | 154 | 105.9 Ų | 105.9 | 58% | 0.581 | 57% | 0.572 | S | S | * | * | trans | -61.9 | 106 | -177.7 | -76.5 | 177.6 | 163.5 | -170.2 | -11.9 | 110.6 | E203 I235 R239 | E203-R237 VanDerWaalsContact CD-NH1 3.28Å; E203-R237 IonicContact OE1-CZ 3.82Å; E203-R237 IonicContact OE1-NE 2.77Å; E203-R237 IonicContact OE1-NH1 2.74Å; E203-R237 PolarHBondContact OE1-NH1 2.03Å; E203-R237 IonicContact OE1-NH2 3.21Å; E203-R237 PolarHBondContact OE1-NH2 2.91Å; E203-R237 IonicContact OE2-CZ 3.94Å; E203-R237 IonicContact OE2-NH1 2.8Å; E203-R237 PolarHBondContact OE2-NH1 2.81Å; E203-R237 IonicContact OE2-NH2 2.78Å; I235-R237 HydrophobicContact CG2-CG 4.27Å; I235-R237 PolarHBondContact O-N 3.03Å; R237-R239 PolarHBondContact O-N 2.64Å | ||
| 238 | Q | 28.2 | Very low | 30.6 | Very low | 98 Ų | 98 | 108.3 Ų | 108.3 | 46% | 0.458 | 57% | 0.573 | S | S | . | * | trans | -74.7 | 116.2 | 170.6 | -68.7 | -175.9 | -10.8 | 0 | 0 | 109.6 | H236 L240 | H236-Q238 PolarHBondContact O-N 3.29Å; H236-Q238 VanDerWaalsContact O-N 3.08Å; Q238-L240 VanDerWaalsContact C-N 3.27Å; Q238-L240 PolarHBondContact O-N 3.14Å | ||
| 239 | R | 29.8 | Very low | 30.5 | Very low | 171 Ų | 171 | 105.7 Ų | 105.7 | 65% | 0.645 | 56% | 0.555 | S | S | * | * | trans | -65.9 | 84.7 | 166.5 | -100.9 | -173.9 | 169.4 | 124.7 | -13.5 | 109.3 | R237 L241 D264 S266 | R237-R239 PolarHBondContact O-N 2.64Å; R239-L241 WeakPolarHBondContact O-CD1 3.46Å; R239-L241 PolarHBondContact O-N 2.76Å; R239-D264 IonicContact CZ-OD2 3.63Å; R239-D264 IonicContact NE-OD1 2.73Å; R239-D264 PolarHBondContact NE-OD1 3.19Å; R239-D264 IonicContact NE-OD2 2.87Å; R239-D264 PolarHBondContact NE-OD2 2.82Å; R239-D264 IonicContact NH2-OD1 3.36Å; R239-D264 IonicContact NH2-OD2 3.78Å; R239-D264 PolarHBondContact NH2-OD2 2.76Å; R239-S266 PolarHBondContact NH2-OG 2.95Å | ||
| 240 | L | 30.9 | Very low | 30.2 | Very low | 86 Ų | 86 | 105.4 Ų | 105.4 | 45% | 0.45 | 56% | 0.559 | S | S | . | * | trans | -87.5 | 87.9 | 169.3 | -108.6 | 151.1 | 0 | 0 | 0 | 108.7 | Q238 V242 | Q238-L240 VanDerWaalsContact C-N 3.27Å; Q238-L240 PolarHBondContact O-N 3.14Å; L240-V242 PolarHBondContact O-N 3.48Å | ||
| 241 | L | 30.1 | Very low | 29.9 | Very low | 57 Ų | 57 | 105.6 Ų | 105.6 | 30% | 0.298 | 56% | 0.56 | S | S | . | * | P | Polyproline II helix | trans | -64.6 | 130.6 | -178.8 | -44.8 | 88.6 | 0 | 0 | 0 | 110.6 | R239 K262 D264 | R239-L241 WeakPolarHBondContact O-CD1 3.46Å; R239-L241 PolarHBondContact O-N 2.76Å; L241-K262 HydrophobicContact CB-CB 3.7Å; L241-K262 HydrophobicContact CB-CD 3.75Å; L241-K262 HydrophobicContact CB-CG 3.86Å; L241-K262 HydrophobicContact CD1-CD 4.04Å; L241-K262 HydrophobicContact CD2-CB 3.96Å; L241-K262 HydrophobicContact CD2-CD 4.49Å; L241-K262 HydrophobicContact CG-CB 4.39Å; L241-K262 HydrophobicContact CG-CD 4.31Å; L241-K262 WeakPolarHBondContact O-CE 3.45Å; L241-D264 HydrophobicContact CD2-CB 3.94Å |
| 242 | V | 32.7 | Very low | 29.7 | Very low | 27 Ų | 27 | 105.4 Ų | 105.4 | 16% | 0.164 | 56% | 0.559 | C | S | . | * | E | Extended strand (participates in β ladder) | trans | -81.4 | 150.6 | 176.4 | -176.2 | 0 | 0 | 0 | 0 | 109.3 | F204 L240 F263 | F204-V242 HydrophobicContact CD1-CG2 3.64Å; F204-V242 HydrophobicContact CE1-CG2 3.44Å; F204-V242 VanDerWaalsContact CE1-CG2 3.44Å; F204-V242 HydrophobicContact CG-CG2 4.35Å; F204-V242 HydrophobicContact CZ-CG2 4.02Å; L240-V242 PolarHBondContact O-N 3.48Å; V242-F263 PolarHBondContact O-N 3.37Å |
| 243 | R | 34.3 | Very low | 29.8 | Very low | 147 Ų | 147 | 106.3 Ų | 106.3 | 56% | 0.555 | 56% | 0.558 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -79.8 | 141.1 | 177.1 | -136 | 176.7 | -170.1 | -178.4 | 2.4 | 109 | P245 N260 | R243-P245 WeakPolarHBondContact O-CD 3.14Å; R243-N260 PolarHBondContact NH2-OD1 3.47Å; R243-N260 VanDerWaalsContact NH2-OD1 3.14Å |
| 244 | T | 32.4 | Very low | 29.7 | Very low | 73 Ų | 73 | 108 Ų | 108 | 45% | 0.448 | 56% | 0.562 | S | S | . | * | P | Polyproline II helix | trans | -65.6 | 130.1 | -166.2 | 46.3 | 0 | 0 | 0 | 0 | 114.7 | N261 F263 | T244-N261 WeakPolarHBondContact CG2-O 3.41Å; T244-N261 PolarHBondContact OG1-O 3.45Å; T244-F263 HydrophobicContact CG2-CB 3.83Å; T244-F263 HydrophobicContact CG2-CD2 4.14Å; T244-F263 HydrophobicContact CG2-CG 4.46Å |
| 245 | P | 34 | Very low | 29.8 | Very low | 29 Ų | 29 | 107.9 Ų | 107.9 | 19% | 0.188 | 56% | 0.563 | C | S | . | * | P | Polyproline II helix | trans | -77.7 | 159.6 | 139.8 | 35.1 | -31.6 | 0 | 0 | 0 | 109.9 | R243 V247 I275 D276 H282 | R243-P245 WeakPolarHBondContact O-CD 3.14Å; P245-V247 PolarHBondContact O-N 3.1Å; P245-I275 HydrophobicContact CB-CG2 4.49Å; P245-I275 HydrophobicContact CG-CG2 3.81Å; P245-D276 VanDerWaalsContact CB-O 3.23Å; P245-D276 WeakPolarHBondContact CB-O 3.32Å; P245-H282 WeakPolarHBondContact CD-NE2 3.28Å; P245-H282 VanDerWaalsContact CG-NE2 3.35Å; P245-H282 WeakPolarHBondContact CG-NE2 3.35Å |
| 246 | S | 29.1 | Very low | 29.7 | Very low | 69 Ų | 69 | 113.1 Ų | 113.1 | 48% | 0.483 | 58% | 0.576 | S | S | . | * | trans | -72.2 | 98.4 | 179.2 | 54.8 | 0 | 0 | 0 | 0 | 111.6 | V248 | S246-V248 PolarHBondContact O-N 3.44Š| ||
| 247 | V | 32.6 | Very low | 29.8 | Very low | 50 Ų | 50 | 112 Ų | 112 | 30% | 0.303 | 58% | 0.575 | S | S | . | * | trans | -71.4 | 111.9 | 164.4 | -179 | 0 | 0 | 0 | 0 | 108 | P245 S249 F263 | P245-V247 PolarHBondContact O-N 3.1Å; V247-S249 PolarHBondContact O-N 3.11Å; V247-F263 HydrophobicContact CG2-CE2 4.27Å; V247-F263 HydrophobicContact CG2-CZ 4.35Å | ||
| 248 | V | 29.1 | Very low | 29.5 | Very low | 112 Ų | 112 | 110.8 Ų | 110.8 | 68% | 0.679 | 58% | 0.58 | S | S | * | * | trans | -78 | 75.4 | 169.8 | -174.8 | 0 | 0 | 0 | 0 | 108.5 | S246 T250 | S246-V248 PolarHBondContact O-N 3.44Å; V248-T250 PolarHBondContact O-N 3.3Å | ||
| 249 | S | 29 | Very low | 29.5 | Very low | 59 Ų | 59 | 111 Ų | 111 | 41% | 0.413 | 59% | 0.588 | S | S | . | * | trans | -68.9 | 121.1 | 158.9 | -67 | 0 | 0 | 0 | 0 | 107.4 | V247 V251 | V247-S249 PolarHBondContact O-N 3.11Å; S249-V251 PolarHBondContact O-N 3.47Å | ||
| 250 | T | 26.3 | Very low | 29.4 | Very low | 139 Ų | 139 | 108.6 Ų | 108.6 | 85% | 0.853 | 59% | 0.588 | S | S | * | * | trans | -73.3 | 68.4 | 171.9 | 47.8 | 0 | 0 | 0 | 0 | 110.4 | V248 | V248-T250 PolarHBondContact O-N 3.3Š| ||
| 251 | V | 29.9 | Very low | 29.4 | Very low | 123 Ų | 123 | 110.2 Ų | 110.2 | 75% | 0.745 | 60% | 0.597 | S | S | * | * | trans | -126.6 | 104.5 | 167.2 | -176.8 | 0 | 0 | 0 | 0 | 106.9 | S249 H253 | S249-V251 PolarHBondContact O-N 3.47Å; V251-H253 PolarHBondContact O-N 3.01Å | ||
| 252 | S | 23.5 | Very low | 29.8 | Very low | 99 Ų | 99 | 112.7 Ų | 112.7 | 69% | 0.692 | 61% | 0.605 | S | S | * | * | trans | -60.9 | 113.9 | 169.9 | 51 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 253 | H | 30 | Very low | 30.5 | Very low | 179 Ų | 179 | 114.6 Ų | 114.6 | 83% | 0.829 | 61% | 0.612 | S | S | * | * | -171.2 | 143.2 | 129 | -93 | -51.7 | 0 | 0 | 0 | 112.3 | V251 N255 | V251-H253 PolarHBondContact O-N 3.01Å; H253-N255 PolarHBondContact O-N 2.83Å | |||
| 254 | N | 27 | Very low | 31.5 | Very low | 160 Ų | 160 | 109.4 Ų | 109.4 | 86% | 0.856 | 60% | 0.595 | S | S | * | * | trans | -68.2 | 125.4 | -175 | -50.5 | -33.3 | 0 | 0 | 0 | 111.5 | ||||
| 255 | N | 30.7 | Very low | 33.1 | Very low | 151 Ų | 151 | 107 Ų | 107 | 81% | 0.807 | 58% | 0.579 | S | S | * | * | trans | -154.5 | 97.9 | 144 | -144.9 | 2.9 | 0 | 0 | 0 | 110.7 | H253 D257 | H253-N255 PolarHBondContact O-N 2.83Å; N255-D257 PolarHBondContact O-N 3.21Å | ||
| 256 | Y | 26.5 | Very low | 34.2 | Very low | 239 Ų | 239 | 107 Ų | 107 | 94% | 0.937 | 58% | 0.58 | S | S | * | * | trans | -101.1 | 70.5 | -177.5 | -140.5 | -79 | 0 | 0 | 0 | 109 | ||||
| 257 | D | 27.4 | Very low | 35.4 | Very low | 130 Ų | 130 | 111 Ų | 111 | 70% | 0.695 | 59% | 0.591 | S | S | * | * | trans | -150.1 | 133.1 | 177.7 | -106 | -40.3 | 0 | 0 | 0 | 113.7 | N255 | N255-D257 PolarHBondContact O-N 3.21Š| ||
| 258 | N | 27.2 | Very low | 37.1 | Very low | 128 Ų | 128 | 109.2 Ų | 109.2 | 68% | 0.684 | 58% | 0.579 | S | S | * | * | trans | 65.5 | 121.5 | 160.8 | -79.2 | -60.8 | 0 | 0 | 0 | 122.5 | ||||
| 259 | V | 27.2 | Very low | 39.1 | Very low | 104 Ų | 104 | 109.2 Ų | 109.2 | 63% | 0.63 | 57% | 0.571 | S | S | * | * | S | Bend | trans | 72.3 | 106.5 | 137 | -176.6 | 0 | 0 | 0 | 0 | 119.4 | N261 | V259-N261 PolarHBondContact O-N 3.43Å; V259-N261 VanDerWaalsContact O-N 3.1Å |
| 260 | N | 28 | Very low | 41.6 | Very low | 119 Ų | 119 | 111.4 Ų | 111.4 | 64% | 0.636 | 58% | 0.575 | S | S | * | * | trans | 50 | 39.4 | 147.7 | -68.2 | -36.6 | 0 | 0 | 0 | 118.7 | R243 K262 | R243-N260 PolarHBondContact NH2-OD1 3.47Å; R243-N260 VanDerWaalsContact NH2-OD1 3.14Å; N260-K262 PolarHBondContact O-N 3.33Å | ||
| 261 | N | 31.1 | Very low | 44.5 | Very low | 120 Ų | 120 | 105.1 Ų | 105.1 | 64% | 0.642 | 54% | 0.537 | S | S | * | . | trans | -67.4 | 92.9 | 175.2 | -72.4 | -27.6 | 0 | 0 | 0 | 112.2 | T244 V259 | T244-N261 WeakPolarHBondContact CG2-O 3.41Å; T244-N261 PolarHBondContact OG1-O 3.45Å; V259-N261 PolarHBondContact O-N 3.43Å; V259-N261 VanDerWaalsContact O-N 3.1Å | ||
| 262 | K | 38.6 | Very low | 47.3 | Very low | 109 Ų | 109 | 102.3 Ų | 102.3 | 47% | 0.474 | 52% | 0.516 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -70.3 | 137.3 | 159.7 | -93.1 | 170.9 | 137.4 | -165.6 | 0 | 109 | L241 N260 | L241-K262 HydrophobicContact CB-CB 3.7Å; L241-K262 HydrophobicContact CB-CD 3.75Å; L241-K262 HydrophobicContact CB-CG 3.86Å; L241-K262 HydrophobicContact CD1-CD 4.04Å; L241-K262 HydrophobicContact CD2-CB 3.96Å; L241-K262 HydrophobicContact CD2-CD 4.49Å; L241-K262 HydrophobicContact CG-CB 4.39Å; L241-K262 HydrophobicContact CG-CD 4.31Å; L241-K262 WeakPolarHBondContact O-CE 3.45Å; N260-K262 PolarHBondContact O-N 3.33Å |
| 263 | F | 47.6 | Very low | 50.5 | Low | 67 Ų | 67 | 97.8 Ų | 97.8 | 29% | 0.294 | 48% | 0.484 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.7 | 125.5 | 177.2 | -159 | -100.8 | 0 | 0 | 0 | 110.6 | V242 T244 V247 L265 F268 | V242-F263 PolarHBondContact O-N 3.37Å; T244-F263 HydrophobicContact CG2-CB 3.83Å; T244-F263 HydrophobicContact CG2-CD2 4.14Å; T244-F263 HydrophobicContact CG2-CG 4.46Å; V247-F263 HydrophobicContact CG2-CE2 4.27Å; V247-F263 HydrophobicContact CG2-CZ 4.35Å; F263-L265 HydrophobicContact CD1-CD2 4.11Å; F263-L265 HydrophobicContact CD1-CG 3.95Å; F263-L265 HydrophobicContact CE1-CD2 3.83Å; F263-L265 HydrophobicContact CE1-CG 4.12Å; F263-F268 HydrophobicContact CE1-CB 4.32Å; F263-F268 HydrophobicContact CZ-CB 4.48Å; F263-F268 HydrophobicContact CZ-CD2 4.25Å |
| 264 | D | 54.6 | Low | 53.3 | Low | 39 Ų | 39 | 95.3 Ų | 95.3 | 21% | 0.209 | 47% | 0.467 | C | S | . | . | trans | -101.1 | 99.3 | 168.9 | -168.6 | -14.8 | 0 | 0 | 0 | 109.4 | R239 L241 S266 Q267 | R239-D264 IonicContact CZ-OD2 3.63Å; R239-D264 IonicContact NE-OD1 2.73Å; R239-D264 PolarHBondContact NE-OD1 3.19Å; R239-D264 IonicContact NE-OD2 2.87Å; R239-D264 PolarHBondContact NE-OD2 2.82Å; R239-D264 IonicContact NH2-OD1 3.36Å; R239-D264 IonicContact NH2-OD2 3.78Å; R239-D264 PolarHBondContact NH2-OD2 2.76Å; L241-D264 HydrophobicContact CD2-CB 3.94Å; D264-S266 PolarHBondContact O-N 3.41Å; D264-S266 VanDerWaalsContact OD1-CB 3.32Å; D264-S266 WeakPolarHBondContact OD1-CB 3.23Å; D264-S266 PolarHBondContact OD1-N 3.24Å; D264-S266 VanDerWaalsContact OD1-N 3.11Å; D264-S266 PolarHBondContact OD1-OG 3.47Å; D264-S266 PolarHBondContact OD2-OG 2.97Å; D264-Q267 PolarHBondContact O-N 3.35Å; D264-Q267 VanDerWaalsContact O-N 3.15Å | ||
| 265 | L | 65.8 | Low | 56.3 | Low | 21 Ų | 21 | 88.1 Ų | 88.1 | 11% | 0.11 | 43% | 0.429 | C | S | . | . | G | 310 helix | trans | -54.1 | -20.9 | 179.1 | -82 | 158.2 | 0 | 0 | 0 | 114 | W202 F204 F263 Q267 F268 L273 Y286 | W202-L265 HydrophobicContact CB-CB 4.43Å; W202-L265 HydrophobicContact CB-CD2 4.2Å; W202-L265 CarbonylContact O-C 3.33Å; F204-L265 HydrophobicContact CB-CD1 3.47Å; F204-L265 VanDerWaalsContact CB-CD1 3.47Å; F263-L265 HydrophobicContact CD1-CD2 4.11Å; F263-L265 HydrophobicContact CD1-CG 3.95Å; F263-L265 HydrophobicContact CE1-CD2 3.83Å; F263-L265 HydrophobicContact CE1-CG 4.12Å; L265-Q267 PolarHBondContact O-N 2.92Å; L265-F268 VanDerWaalsContact O-CB 3.31Å; L265-F268 WeakPolarHBondContact O-CB 3.48Å; L265-F268 PolarHBondContact O-N 3.11Å; L265-L273 HydrophobicContact CD2-CD1 3.88Å; L265-L273 HydrophobicContact CD2-CD2 3.62Å; L265-L273 HydrophobicContact CD2-CG 4.43Å; L265-Y286 HydrophobicContact CD1-CD1 4.13Å; L265-Y286 HydrophobicContact CD1-CE1 4.04Å |
| 266 | S | 56.4 | Low | 59 | Low | 29 Ų | 29 | 82.1 Ų | 82.1 | 20% | 0.203 | 40% | 0.396 | C | S | . | . | G | 310 helix | trans | -65.8 | -15.3 | 178.7 | 64.3 | 0 | 0 | 0 | 0 | 114.9 | R239 D264 | R239-S266 PolarHBondContact NH2-OG 2.95Å; D264-S266 PolarHBondContact O-N 3.41Å; D264-S266 VanDerWaalsContact OD1-CB 3.32Å; D264-S266 WeakPolarHBondContact OD1-CB 3.23Å; D264-S266 PolarHBondContact OD1-N 3.24Å; D264-S266 VanDerWaalsContact OD1-N 3.11Å; D264-S266 PolarHBondContact OD1-OG 3.47Å; D264-S266 PolarHBondContact OD2-OG 2.97Å |
| 267 | Q | 55.3 | Low | 61.9 | Low | 153 Ų | 153 | 78 Ų | 78 | 72% | 0.715 | 38% | 0.383 | S | S | * | . | G | 310 helix | trans | -90.8 | -7.3 | 172 | -58.6 | -176.4 | 21.7 | 0 | 0 | 112.6 | D264 L265 H269 | D264-Q267 PolarHBondContact O-N 3.35Å; D264-Q267 VanDerWaalsContact O-N 3.15Å; L265-Q267 PolarHBondContact O-N 2.92Å; Q267-H269 PolarHBondContact O-CD2 3.08Å; Q267-H269 VanDerWaalsContact O-CD2 3.25Å; Q267-H269 PolarHBondContact O-N 3.34Å |
| 268 | F | 68.4 | Low | 64.7 | Low | 14 Ų | 14 | 71.8 Ų | 71.8 | 6% | 0.061 | 35% | 0.35 | C | S | . | . | trans | -86.1 | 110.8 | -178.3 | -168 | -104.8 | 0 | 0 | 0 | 110.3 | W202 F263 L265 E270 Q272 L273 | W202-F268 HydrophobicContact CB-CD1 4.43Å; W202-F268 AromaticContact CD1-CD1 3.47Å; W202-F268 VanDerWaalsContact CD1-CD1 3.47Å; W202-F268 AromaticContact CG-CD1 3.95Å; W202-F268 HydrophobicContact CG-CD1 3.95Å; W202-F268 AromaticContact NE1-CD1 3.84Å; W202-F268 AromaticContact NE1-CE1 3.94Å; F263-F268 HydrophobicContact CE1-CB 4.32Å; F263-F268 HydrophobicContact CZ-CB 4.48Å; F263-F268 HydrophobicContact CZ-CD2 4.25Å; L265-F268 VanDerWaalsContact O-CB 3.31Å; L265-F268 WeakPolarHBondContact O-CB 3.48Å; L265-F268 PolarHBondContact O-N 3.11Å; F268-E270 HydrophobicContact CE1-CB 3.88Å; F268-E270 HydrophobicContact CE2-CB 4.11Å; F268-E270 HydrophobicContact CE2-CG 3.9Å; F268-E270 HydrophobicContact CZ-CB 3.57Å; F268-E270 HydrophobicContact CZ-CG 3.88Å; F268-Q272 WeakPolarHBondContact CE1-O 3.39Å; F268-Q272 VanDerWaalsContact CZ-O 3.31Å; F268-Q272 WeakPolarHBondContact CZ-O 3.46Å; F268-L273 HydrophobicContact CD1-CB 4.42Å; F268-L273 HydrophobicContact CD1-CD1 3.87Å; F268-L273 HydrophobicContact CE1-CB 3.86Å; F268-L273 HydrophobicContact CE1-CD1 3.69Å; F268-L273 HydrophobicContact CE1-CG 4.38Å; F268-L273 HydrophobicContact CG-CD1 4.47Å; F268-L273 HydrophobicContact CZ-CD1 4.12Å | ||
| 269 | H | 71.3 | Confident | 67.5 | Low | 111 Ų | 111 | 66.7 Ų | 66.7 | 51% | 0.514 | 32% | 0.324 | S | S | . | . | trans | -114.4 | 11.5 | -172.7 | -67.5 | -59.8 | 0 | 0 | 0 | 114.1 | Y200 Q267 | Y200-H269 PolarHBondContact O-ND1 2.78Å; Q267-H269 PolarHBondContact O-CD2 3.08Å; Q267-H269 VanDerWaalsContact O-CD2 3.25Å; Q267-H269 PolarHBondContact O-N 3.34Å | ||
| 270 | E | 81.4 | Confident | 70.1 | Confident | 105 Ų | 105 | 62 Ų | 62 | 49% | 0.491 | 30% | 0.295 | S | S | . | . | trans | -79.9 | 157 | 174.5 | -54.1 | -177.1 | -173 | 0 | 0 | 111.1 | Y200 W202 F268 Q272 | Y200-E270 WeakPolarHBondContact CB-O 3.43Å; W202-E270 PolarHBondContact NE1-O 2.8Å; F268-E270 HydrophobicContact CE1-CB 3.88Å; F268-E270 HydrophobicContact CE2-CB 4.11Å; F268-E270 HydrophobicContact CE2-CG 3.9Å; F268-E270 HydrophobicContact CZ-CB 3.57Å; F268-E270 HydrophobicContact CZ-CG 3.88Å; E270-Q272 VanDerWaalsContact C-N 3.33Å; E270-Q272 PolarHBondContact O-N 2.9Å | ||
| 271 | S | 86.6 | Confident | 72.7 | Confident | 7 Ų | 7 | 58.9 Ų | 58.9 | 5% | 0.049 | 28% | 0.279 | C | S | . | . | S | Bend | trans | -76.6 | -18.5 | -176.9 | 59.3 | 0 | 0 | 0 | 0 | 114.2 | C184 D185 | C184-S271 CarbonylContact C-O 3.55Å; C184-S271 WeakPolarHBondContact CA-O 3.36Å; C184-S271 WeakPolarHBondContact CB-O 3.29Å; C184-S271 PolarHBondContact N-O 3Å; D185-S271 PolarHBondContact N-O 3.03Å; D185-S271 WeakPolarHBondContact OD1-CB 3.29Å; D185-S271 PolarHBondContact OD1-OG 3.29Å |
| 272 | Q | 89.2 | Confident | 75.3 | Confident | 64 Ų | 64 | 53.5 Ų | 53.5 | 30% | 0.299 | 25% | 0.249 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.2 | 134.4 | 177.3 | -59.5 | -174.8 | -4.4 | 0 | 0 | 110 | I181 F182 D185 F268 E270 | I181-Q272 HydrophobicContact CG2-CB 4.1Å; F182-Q272 CarbonylContact O-C 3.58Å; F182-Q272 VanDerWaalsContact O-CA 3.24Å; F182-Q272 WeakPolarHBondContact O-CA 3.29Å; D185-Q272 PolarHBondContact OD2-NE2 3.14Å; F268-Q272 WeakPolarHBondContact CE1-O 3.39Å; F268-Q272 VanDerWaalsContact CZ-O 3.31Å; F268-Q272 WeakPolarHBondContact CZ-O 3.46Å; E270-Q272 VanDerWaalsContact C-N 3.33Å; E270-Q272 PolarHBondContact O-N 2.9Å |
| 273 | L | 90.2 | Very high | 77.6 | Confident | 4 Ų | 4 | 49.5 Ų | 49.5 | 2% | 0.021 | 23% | 0.233 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.6 | 108.9 | 176.1 | 173.9 | 62 | 0 | 0 | 0 | 110 | I181 F182 W202 L265 F268 I275 Y286 | I181-L273 WeakPolarHBondContact CA-O 3.42Å; F182-L273 HydrophobicContact CB-CB 4.33Å; F182-L273 HydrophobicContact CD2-CB 4.26Å; F182-L273 HydrophobicContact CD2-CD2 4Å; F182-L273 HydrophobicContact CD2-CG 4.14Å; F182-L273 PolarHBondContact N-O 3.15Å; F182-L273 PolarHBondContact O-N 3.03Å; W202-L273 HydrophobicContact CD2-CB 3.89Å; W202-L273 HydrophobicContact CD2-CD2 4.08Å; W202-L273 HydrophobicContact CE3-CB 3.92Å; W202-L273 HydrophobicContact CE3-CD2 3.67Å; W202-L273 HydrophobicContact CE3-CG 4.46Å; W202-L273 HydrophobicContact CH2-CB 3.79Å; W202-L273 HydrophobicContact CZ2-CB 3.75Å; W202-L273 HydrophobicContact CZ3-CB 3.87Å; W202-L273 HydrophobicContact CZ3-CD2 4.09Å; L265-L273 HydrophobicContact CD2-CD1 3.88Å; L265-L273 HydrophobicContact CD2-CD2 3.62Å; L265-L273 HydrophobicContact CD2-CG 4.43Å; F268-L273 HydrophobicContact CD1-CB 4.42Å; F268-L273 HydrophobicContact CD1-CD1 3.87Å; F268-L273 HydrophobicContact CE1-CB 3.86Å; F268-L273 HydrophobicContact CE1-CD1 3.69Å; F268-L273 HydrophobicContact CE1-CG 4.38Å; F268-L273 HydrophobicContact CG-CD1 4.47Å; F268-L273 HydrophobicContact CZ-CD1 4.12Å; L273-I275 HydrophobicContact CD2-CD1 4.44Å; L273-I275 HydrophobicContact CG-CD1 4.49Å; L273-I275 HydrophobicContact CG-CG1 4.22Å; L273-Y286 HydrophobicContact CD2-CD1 3.89Å; L273-Y286 HydrophobicContact CD2-CE1 4.32Å |
| 274 | R | 89.4 | Confident | 79.6 | Confident | 128 Ų | 128 | 46.9 Ų | 46.9 | 48% | 0.483 | 23% | 0.225 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -93.1 | 131.3 | 174.8 | 179 | 174 | 171.7 | 166.9 | 2.4 | 111 | I180 I181 D276 | I180-R274 WeakPolarHBondContact O-CA 3.19Å; I181-R274 HydrophobicContact CG1-CB 4.21Å; I181-R274 HydrophobicContact CG1-CG 4.07Å; R274-D276 IonicContact CZ-OD1 3.9Å; R274-D276 IonicContact CZ-OD2 3.67Å; R274-D276 VanDerWaalsContact NE-CG 3.3Å; R274-D276 IonicContact NE-OD1 3.37Å; R274-D276 PolarHBondContact NE-OD1 3.19Å; R274-D276 IonicContact NE-OD2 3.42Å; R274-D276 PolarHBondContact NE-OD2 2.86Å; R274-D276 IonicContact NH2-OD1 3.32Å; R274-D276 PolarHBondContact NH2-OD1 2.94Å; R274-D276 IonicContact NH2-OD2 2.67Å; R274-D276 PolarHBondContact NH2-OD2 3.32Å |
| 275 | I | 88.8 | Confident | 81.4 | Confident | 9 Ų | 9 | 47.9 Ų | 47.9 | 5% | 0.046 | 23% | 0.228 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.1 | 113.6 | 174.5 | -49.2 | -173.8 | 0 | 0 | 0 | 108.2 | H179 I180 F182 P245 L273 L278 Y286 | H179-I275 WeakPolarHBondContact CA-O 3.44Å; I180-I275 HydrophobicContact CG2-CB 3.97Å; I180-I275 HydrophobicContact CG2-CG1 4.46Å; I180-I275 PolarHBondContact N-O 3.43Å; I180-I275 PolarHBondContact O-N 3.31Å; F182-I275 HydrophobicContact CD2-CD1 4.41Å; F182-I275 HydrophobicContact CE2-CD1 3.76Å; F182-I275 HydrophobicContact CE2-CG1 4.43Å; P245-I275 HydrophobicContact CB-CG2 4.49Å; P245-I275 HydrophobicContact CG-CG2 3.81Å; L273-I275 HydrophobicContact CD2-CD1 4.44Å; L273-I275 HydrophobicContact CG-CD1 4.49Å; L273-I275 HydrophobicContact CG-CG1 4.22Å; I275-L278 HydrophobicContact CB-CD2 4.15Å; I275-L278 HydrophobicContact CG2-CD2 3.63Å; I275-Y286 HydrophobicContact CD1-CE1 3.8Å |
| 276 | D | 88 | Confident | 82.7 | Confident | 24 Ų | 24 | 47.1 Ų | 47.1 | 13% | 0.128 | 22% | 0.224 | C | C | . | . | trans | -97.2 | 151.5 | 174.5 | -65.8 | -61.9 | 0 | 0 | 0 | 110.7 | H179 P245 R274 | H179-D276 WeakPolarHBondContact CB-OD1 3.5Å; P245-D276 VanDerWaalsContact CB-O 3.23Å; P245-D276 WeakPolarHBondContact CB-O 3.32Å; R274-D276 IonicContact CZ-OD1 3.9Å; R274-D276 IonicContact CZ-OD2 3.67Å; R274-D276 VanDerWaalsContact NE-CG 3.3Å; R274-D276 IonicContact NE-OD1 3.37Å; R274-D276 PolarHBondContact NE-OD1 3.19Å; R274-D276 IonicContact NE-OD2 3.42Å; R274-D276 PolarHBondContact NE-OD2 2.86Å; R274-D276 IonicContact NH2-OD1 3.32Å; R274-D276 PolarHBondContact NH2-OD1 2.94Å; R274-D276 IonicContact NH2-OD2 2.67Å; R274-D276 PolarHBondContact NH2-OD2 3.32Å | ||
| 277 | K | 86.7 | Confident | 84.4 | Confident | 152 Ų | 152 | 46.9 Ų | 46.9 | 66% | 0.661 | 22% | 0.22 | S | C | * | . | S | Bend | trans | 57.4 | 62.3 | 178.4 | -59.3 | 178.3 | 178.6 | 176 | 0 | 113.7 | D178 T279 | D178-K277 PolarHBondContact O-N 2.94Å; K277-T279 PolarHBondContact O-N 3.02Å |
| 278 | L | 88.1 | Confident | 86.2 | Confident | 0 Ų | 0 | 39.7 Ų | 39.7 | 0% | 0 | 19% | 0.186 | C | C | . | . | trans | -61 | 117.9 | -178.8 | -72 | 174.7 | 0 | 0 | 0 | 113.6 | K174 W176 G177 D178 I180 I275 H282 L323 V325 | K174-L278 HydrophobicContact CB-CD1 3.55Å; K174-L278 HydrophobicContact CG-CD1 3.81Å; W176-L278 CarbonylContact C-O 3.56Å; W176-L278 WeakPolarHBondContact CA-O 3.26Å; G177-L278 PolarHBondContact N-O 2.77Å; D178-L278 HydrophobicContact CB-CD1 4.28Å; D178-L278 WeakPolarHBondContact O-CB 3.38Å; D178-L278 WeakPolarHBondContact O-CG 3.23Å; D178-L278 PolarHBondContact O-N 2.89Å; I180-L278 HydrophobicContact CB-CD1 4.17Å; I180-L278 HydrophobicContact CG2-CD1 3.93Å; I180-L278 HydrophobicContact CG2-CD2 4.05Å; I180-L278 HydrophobicContact CG2-CG 4.41Å; I275-L278 HydrophobicContact CB-CD2 4.15Å; I275-L278 HydrophobicContact CG2-CD2 3.63Å; L278-H282 HydrophobicContact CD2-CB 3.98Å; L278-L323 HydrophobicContact CD2-CD2 3.81Å; L278-V325 HydrophobicContact CB-CG1 4.12Å; L278-V325 HydrophobicContact CB-CG2 4.18Å; L278-V325 HydrophobicContact CD1-CG2 4.49Å; L278-V325 HydrophobicContact CD2-CG2 4.39Å | ||
| 279 | T | 84.8 | Confident | 87.3 | Confident | 22 Ų | 22 | 39.4 Ų | 39.4 | 14% | 0.135 | 19% | 0.186 | C | C | . | . | trans | -105.2 | 169.4 | 171.8 | 41.1 | 0 | 0 | 0 | 0 | 111.6 | W176 K277 D281 H282 | W176-T279 HydrophobicContact CZ2-CG2 4.44Å; K277-T279 PolarHBondContact O-N 3.02Å; T279-D281 WeakPolarHBondContact CB-OD1 3.44Å; T279-D281 PolarHBondContact O-N 2.92Å; T279-D281 PolarHBondContact OG1-OD1 3.4Å; T279-H282 PolarHBondContact N-ND1 2.58Å; T279-H282 WeakPolarHBondContact O-CB 3.46Å; T279-H282 PolarHBondContact O-N 2.88Å; T279-H282 PolarHBondContact O-ND1 2.76Å; T279-H282 PolarHBondContact OG1-CE1 3.42Å; T279-H282 PolarHBondContact OG1-ND1 3.17Å | ||
| 280 | L | 82.6 | Confident | 88.3 | Confident | 6 Ų | 6 | 34.1 Ų | 34.1 | 3% | 0.031 | 16% | 0.161 | C | C | . | . | G | 310 helix | trans | -69.1 | -13.4 | -172.5 | -76.8 | -177.9 | 0 | 0 | 0 | 115.9 | N283 V325 E359 E360 R362 | L280-N283 WeakPolarHBondContact O-CB 3.45Å; L280-N283 PolarHBondContact O-ND2 3.27Å; L280-V325 HydrophobicContact CD2-CB 4.45Å; L280-V325 HydrophobicContact CD2-CG1 4.45Å; L280-V325 WeakPolarHBondContact CD2-O 3.19Å; L280-E359 WeakPolarHBondContact CB-O 3.31Å; L280-E359 PolarHBondContact N-O 3.23Å; L280-E360 VanDerWaalsContact CD1-C 3.42Å; L280-E360 VanDerWaalsContact CD1-O 3.23Å; L280-E360 WeakPolarHBondContact CD1-O 3.25Å; L280-R362 HydrophobicContact CD1-CB 4.23Å; L280-R362 HydrophobicContact CD1-CG 3.96Å; L280-R362 PolarHBondContact O-NH2 3.02Å |
| 281 | D | 81.2 | Confident | 88.6 | Confident | 53 Ų | 53 | 33.9 Ų | 33.9 | 28% | 0.283 | 16% | 0.156 | S | C | . | . | G | 310 helix | trans | -77.1 | -24.9 | 174.4 | 65.2 | -31.4 | 0 | 0 | 0 | 113.3 | T279 N283 | T279-D281 WeakPolarHBondContact CB-OD1 3.44Å; T279-D281 PolarHBondContact O-N 2.92Å; T279-D281 PolarHBondContact OG1-OD1 3.4Å; D281-N283 PolarHBondContact O-N 3.11Å |
| 282 | H | 85.6 | Confident | 88.4 | Confident | 6 Ų | 6 | 34.1 Ų | 34.1 | 3% | 0.028 | 16% | 0.157 | C | C | . | . | G | 310 helix | trans | -69.7 | -6.3 | 172.1 | -63.7 | 90 | 0 | 0 | 0 | 113.5 | P245 L278 T279 G284 Y286 L323 V325 | P245-H282 WeakPolarHBondContact CD-NE2 3.28Å; P245-H282 VanDerWaalsContact CG-NE2 3.35Å; P245-H282 WeakPolarHBondContact CG-NE2 3.35Å; L278-H282 HydrophobicContact CD2-CB 3.98Å; T279-H282 PolarHBondContact N-ND1 2.58Å; T279-H282 WeakPolarHBondContact O-CB 3.46Å; T279-H282 PolarHBondContact O-N 2.88Å; T279-H282 PolarHBondContact O-ND1 2.76Å; T279-H282 PolarHBondContact OG1-CE1 3.42Å; T279-H282 PolarHBondContact OG1-ND1 3.17Å; H282-G284 PolarHBondContact O-N 2.98Å; H282-Y286 WeakPolarHBondContact O-CE2 3.41Å; H282-Y286 PolarHBondContact O-OH 2.91Å; H282-L323 HydrophobicContact CB-CD2 4.18Å; H282-L323 WeakPolarHBondContact O-CD2 3.27Å; H282-V325 HydrophobicContact CB-CG2 4.25Å |
| 283 | N | 87.6 | Confident | 87.8 | Confident | 26 Ų | 26 | 38 Ų | 38 | 14% | 0.139 | 17% | 0.169 | C | C | . | . | trans | -63.5 | 117.7 | 171.6 | -85.6 | -71.7 | 0 | 0 | 0 | 110.9 | L280 D281 T324 V325 | L280-N283 WeakPolarHBondContact O-CB 3.45Å; L280-N283 PolarHBondContact O-ND2 3.27Å; D281-N283 PolarHBondContact O-N 3.11Å; N283-T324 WeakPolarHBondContact OD1-CA 3.33Å; N283-V325 PolarHBondContact ND2-O 2.95Å; N283-V325 PolarHBondContact OD1-N 3.44Å | ||
| 284 | G | 88.8 | Confident | 86.5 | Confident | 12 Ų | 12 | 43 Ų | 43 | 12% | 0.124 | 19% | 0.194 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 169.8 | -166.2 | 176.2 | 0 | 0 | 0 | 0 | 0 | 112.3 | H282 L323 | H282-G284 PolarHBondContact O-N 2.98Å; G284-L323 PolarHBondContact N-O 3.06Å; G284-L323 PolarHBondContact O-N 3.25Å |
| 285 | E | 92.5 | Very high | 84.6 | Confident | 59 Ų | 59 | 40.9 Ų | 40.9 | 28% | 0.276 | 20% | 0.196 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -107 | 129.6 | 177.9 | -177.4 | -176 | 149.6 | 0 | 0 | 109.6 | I205 Q320 F321 | I205-E285 HydrophobicContact CB-CB 4.13Å; I205-E285 HydrophobicContact CB-CG 4.5Å; I205-E285 HydrophobicContact CD1-CG 4.39Å; I205-E285 PolarHBondContact N-O 3.25Å; I205-E285 PolarHBondContact O-N 2.74Å; E285-Q320 PolarHBondContact OE1-NE2 3.14Å; E285-F321 CarbonylContact C-O 3.51Å; E285-F321 VanDerWaalsContact CA-O 3.27Å; E285-F321 WeakPolarHBondContact CA-O 3.35Å |
| 286 | Y | 93 | Very high | 82.2 | Confident | 6 Ų | 6 | 46.7 Ų | 46.7 | 2% | 0.024 | 23% | 0.232 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111 | 120.6 | 177.4 | -66.3 | -98.6 | 0 | 0 | 0 | 107.8 | F182 E203 F204 L265 L273 I275 H282 Q320 F321 L323 | F182-Y286 HydrophobicContact CE2-CD1 4.17Å; F182-Y286 AromaticContact CE2-CD2 3.84Å; F182-Y286 HydrophobicContact CE2-CD2 3.84Å; F182-Y286 HydrophobicContact CE2-CE1 4.44Å; F182-Y286 HydrophobicContact CE2-CE2 4.13Å; F182-Y286 AromaticContact CE2-CG 3.87Å; F182-Y286 HydrophobicContact CE2-CG 3.87Å; F182-Y286 AromaticContact CZ-CD2 3.81Å; F182-Y286 HydrophobicContact CZ-CD2 3.81Å; F182-Y286 HydrophobicContact CZ-CE2 4.16Å; F182-Y286 HydrophobicContact CZ-CG 4.24Å; E203-Y286 WeakPolarHBondContact O-CA 3.36Å; F204-Y286 HydrophobicContact CB-CD1 4.45Å; F204-Y286 HydrophobicContact CB-CE1 4.43Å; F204-Y286 AromaticContact CD2-CD1 3.93Å; F204-Y286 HydrophobicContact CD2-CD1 3.93Å; F204-Y286 HydrophobicContact CD2-CD2 4.09Å; F204-Y286 AromaticContact CD2-CE1 3.59Å; F204-Y286 HydrophobicContact CD2-CE1 3.59Å; F204-Y286 AromaticContact CD2-CE2 3.76Å; F204-Y286 HydrophobicContact CD2-CE2 3.76Å; F204-Y286 HydrophobicContact CD2-CG 4.17Å; F204-Y286 AromaticContact CD2-CZ 3.5Å; F204-Y286 VanDerWaalsContact CD2-CZ 3.5Å; F204-Y286 HydrophobicContact CE2-CD2 4.37Å; F204-Y286 HydrophobicContact CE2-CE1 4.22Å; F204-Y286 AromaticContact CE2-CE2 3.72Å; F204-Y286 HydrophobicContact CE2-CE2 3.72Å; F204-Y286 AromaticContact CE2-CZ 3.64Å; F204-Y286 HydrophobicContact CG-CE1 4.39Å; L265-Y286 HydrophobicContact CD1-CD1 4.13Å; L265-Y286 HydrophobicContact CD1-CE1 4.04Å; L273-Y286 HydrophobicContact CD2-CD1 3.89Å; L273-Y286 HydrophobicContact CD2-CE1 4.32Å; I275-Y286 HydrophobicContact CD1-CE1 3.8Å; H282-Y286 WeakPolarHBondContact O-CE2 3.41Å; H282-Y286 PolarHBondContact O-OH 2.91Å; Y286-Q320 CarbonylContact O-C 3.59Å; Y286-Q320 WeakPolarHBondContact O-CA 3.32Å; Y286-F321 PolarHBondContact N-O 3.02Å; Y286-F321 PolarHBondContact O-N 3.05Å; Y286-L323 HydrophobicContact CD2-CB 4.25Å; Y286-L323 HydrophobicContact CE2-CB 3.99Å; Y286-L323 HydrophobicContact CE2-CD2 4.02Å |
| 287 | Q | 92.9 | Very high | 79.8 | Confident | 24 Ų | 24 | 50 Ų | 50 | 11% | 0.112 | 26% | 0.257 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.7 | 128.3 | 175.1 | -178.8 | 174.8 | 45.8 | 0 | 0 | 109.1 | W202 E203 I205 R319 Q320 | W202-Q287 CarbonylContact C-O 3.55Å; W202-Q287 WeakPolarHBondContact CA-O 3.47Å; E203-Q287 HydrophobicContact CG-CB 3.74Å; E203-Q287 HydrophobicContact CG-CG 4.46Å; E203-Q287 PolarHBondContact N-O 3.03Å; E203-Q287 PolarHBondContact O-N 3.4Å; E203-Q287 PolarHBondContact OE1-OE1 2.79Å; I205-Q287 HydrophobicContact CD1-CB 3.98Å; Q287-R319 WeakPolarHBondContact CA-O 3.41Å; Q287-Q320 HydrophobicContact CB-CG 3.98Å; Q287-Q320 HydrophobicContact CG-CG 3.88Å |
| 288 | C | 93.4 | Very high | 77.2 | Confident | 1 Ų | 1 | 46.9 Ų | 46.9 | 1% | 0.007 | 27% | 0.268 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.2 | 144.3 | 163.4 | 73.3 | 0 | 0 | 0 | 0 | 109.5 | C184 Q201 W202 T318 R319 | C184-C288 HydrophobicContact CB-CB 3.69Å; C184-C288 WeakPolarHBondContact CB-SG 3.33Å; C184-C288 WeakPolarHBondContact SG-CB 3.5Å; C184-C288 CovalentContact SG-SG 2.01Å; C184-C288 PolarHBondContact SG-SG 3.08Å; Q201-C288 CarbonylContact O-C 3.53Å; Q201-C288 WeakPolarHBondContact O-CA 3.44Å; W202-C288 HydrophobicContact CD2-CB 3.75Å; W202-C288 HydrophobicContact CE3-CB 3.72Å; W202-C288 HydrophobicContact CG-CB 4.45Å; W202-C288 HydrophobicContact CH2-CB 3.89Å; W202-C288 HydrophobicContact CZ2-CB 3.92Å; W202-C288 HydrophobicContact CZ3-CB 3.79Å; C288-T318 VanDerWaalsContact O-CA 3.25Å; C288-T318 WeakPolarHBondContact O-CA 3.01Å; C288-R319 PolarHBondContact N-O 3.31Å; C288-R319 PolarHBondContact O-N 3.21Å |
| 289 | T | 91.9 | Very high | 74.5 | Confident | 8 Ų | 8 | 50.5 Ų | 50.5 | 5% | 0.049 | 31% | 0.305 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.7 | 126.6 | 171.6 | -55.9 | 0 | 0 | 0 | 0 | 108 | Q201 R291 M316 I317 T318 | Q201-T289 PolarHBondContact N-O 3.46Å; Q201-T289 PolarHBondContact O-N 3.17Å; T289-R291 HydrophobicContact CG2-CG 3.89Å; T289-M316 HydrophobicContact CG2-SD 4.26Å; T289-I317 WeakPolarHBondContact CA-O 3.39Å; T289-T318 HydrophobicContact CG2-CG2 3.97Å |
| 290 | V | 91.1 | Very high | 71.9 | Confident | 0 Ų | 0 | 53.6 Ų | 53.6 | 0% | 0 | 34% | 0.342 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.1 | 127.2 | 172.3 | -165.2 | 0 | 0 | 0 | 0 | 108.5 | P159 F161 A186 L198 I199 Y200 M316 I317 | P159-V290 HydrophobicContact CB-CG1 4.37Å; F161-V290 HydrophobicContact CE1-CG2 3.97Å; A186-V290 HydrophobicContact CB-CG1 4.03Å; A186-V290 HydrophobicContact CB-CG2 4.28Å; L198-V290 HydrophobicContact CB-CG1 4.24Å; L198-V290 HydrophobicContact CD2-CG1 4.22Å; I199-V290 WeakPolarHBondContact O-CA 3.18Å; Y200-V290 HydrophobicContact CD1-CB 4.38Å; Y200-V290 HydrophobicContact CD1-CG1 4.01Å; Y200-V290 HydrophobicContact CD1-CG2 3.66Å; Y200-V290 HydrophobicContact CE1-CB 4.43Å; Y200-V290 HydrophobicContact CE1-CG1 3.77Å; Y200-V290 HydrophobicContact CE1-CG2 3.77Å; V290-M316 CarbonylContact O-C 3.57Å; V290-M316 WeakPolarHBondContact O-CA 3.42Å; V290-M316 WeakPolarHBondContact O-CB 3.21Å; V290-I317 HydrophobicContact CB-CD1 4.31Å; V290-I317 HydrophobicContact CB-CG1 3.76Å; V290-I317 HydrophobicContact CG2-CD1 4.38Å; V290-I317 HydrophobicContact CG2-CG1 4.06Å; V290-I317 PolarHBondContact N-O 3.23Å; V290-I317 PolarHBondContact O-N 2.71Å |
| 291 | R | 87.7 | Confident | 69.5 | Low | 100 Ų | 100 | 56.8 Ų | 56.8 | 38% | 0.377 | 38% | 0.376 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.8 | 143.8 | 179.2 | -52.3 | -170.2 | 175.7 | 150.9 | 6 | 110.2 | I199 T289 M316 | I199-R291 PolarHBondContact N-O 2.83Å; I199-R291 PolarHBondContact O-N 3.02Å; T289-R291 HydrophobicContact CG2-CG 3.89Å; R291-M316 HydrophobicContact CB-CB 4.45Å; R291-M316 HydrophobicContact CG-CB 3.86Å |
| 292 | T | 83.3 | Confident | 66.9 | Low | 12 Ų | 12 | 58.8 Ų | 58.8 | 7% | 0.074 | 41% | 0.409 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -80.2 | 138.5 | 167.2 | 52.9 | 0 | 0 | 0 | 0 | 110.8 | P159 M188 N197 L198 I294 P314 P315 | P159-T292 HydrophobicContact CG-CG2 4.46Å; M188-T292 HydrophobicContact CE-CG2 4.13Å; M188-T292 HydrophobicContact SD-CG2 4.06Å; N197-T292 CarbonylContact O-C 3.39Å; N197-T292 WeakPolarHBondContact O-CA 3.39Å; L198-T292 HydrophobicContact CD2-CG2 4.01Å; T292-I294 PolarHBondContact O-N 3.49Å; T292-P314 WeakPolarHBondContact O-CB 3.23Å; T292-P315 HydrophobicContact CG2-CG 4.34Å; T292-P315 PolarHBondContact N-O 3.26Å; T292-P315 WeakPolarHBondContact OG1-CD 3.35Å; T292-P315 WeakPolarHBondContact OG1-CG 3.31Å; T292-P315 PolarHBondContact OG1-O 2.92Å |
| 293 | R | 76.8 | Confident | 64.3 | Low | 145 Ų | 145 | 61.7 Ų | 61.7 | 55% | 0.547 | 44% | 0.441 | S | S | . | . | trans | -58.8 | 130.2 | 159.3 | -67.3 | -179.2 | -169 | -163.3 | 5.3 | 108.2 | D196 N197 I199 T295 | D196-R293 PolarHBondContact O-NE 3.41Å; N197-R293 PolarHBondContact O-N 2.79Å; I199-R293 HydrophobicContact CD1-CG 3.59Å; I199-R293 HydrophobicContact CG1-CG 3.95Å; R293-T295 PolarHBondContact O-N 3.48Å | ||
| 294 | I | 62.5 | Low | 61.4 | Low | 109 Ų | 109 | 64.7 Ų | 64.7 | 56% | 0.559 | 48% | 0.478 | S | S | * | . | trans | -70.3 | 98.8 | 170.5 | -56.1 | 175 | 0 | 0 | 0 | 106.6 | T292 T296 P314 | T292-I294 PolarHBondContact O-N 3.49Å; I294-T296 HydrophobicContact CG2-CG2 4.17Å; I294-T296 PolarHBondContact O-N 2.72Å; I294-P314 HydrophobicContact CD1-CB 4.31Å; I294-P314 HydrophobicContact CD1-CG 4.36Å; I294-P314 HydrophobicContact CG1-CB 3.83Å; I294-P314 HydrophobicContact CG1-CG 4.3Å | ||
| 295 | T | 50 | Low | 58.9 | Low | 84 Ų | 84 | 68.7 Ų | 68.7 | 52% | 0.515 | 51% | 0.51 | S | S | . | . | trans | -70.3 | 100.2 | 166.9 | 44.8 | 0 | 0 | 0 | 0 | 108 | R293 S297 | R293-T295 PolarHBondContact O-N 3.48Å; T295-S297 PolarHBondContact O-N 3.06Å | ||
| 296 | T | 38.6 | Very low | 56.1 | Low | 132 Ų | 132 | 71.6 Ų | 71.6 | 81% | 0.81 | 53% | 0.532 | S | S | * | . | trans | -72.1 | 46.6 | 166.9 | 52.5 | 0 | 0 | 0 | 0 | 110.8 | I294 G298 | I294-T296 HydrophobicContact CG2-CG2 4.17Å; I294-T296 PolarHBondContact O-N 2.72Å; T296-G298 VanDerWaalsContact C-N 3.32Å | ||
| 297 | S | 37 | Very low | 53.3 | Low | 93 Ų | 93 | 80.6 Ų | 80.6 | 65% | 0.65 | 58% | 0.577 | S | S | * | * | trans | -98.2 | 35.9 | 178.5 | 63 | 0 | 0 | 0 | 0 | 111.8 | T295 G299 | T295-S297 PolarHBondContact O-N 3.06Å; S297-G299 PolarHBondContact O-N 3.31Å | ||
| 298 | G | 32.5 | Very low | 50.6 | Low | 87 Ų | 87 | 86 Ų | 86 | 90% | 0.897 | 61% | 0.606 | S | S | * | * | trans | -79.2 | 74.6 | 151.8 | 0 | 0 | 0 | 0 | 0 | 108.7 | T296 | T296-G298 VanDerWaalsContact C-N 3.32Š| ||
| 299 | G | 31.6 | Very low | 47.7 | Very low | 75 Ų | 75 | 92.8 Ų | 92.8 | 77% | 0.773 | 64% | 0.642 | S | S | * | * | trans | -165.5 | 52.8 | -166.4 | 0 | 0 | 0 | 0 | 0 | 113.9 | S297 | S297-G299 PolarHBondContact O-N 3.31Š| ||
| 300 | G | 30.1 | Very low | 45.1 | Very low | 87 Ų | 87 | 102 Ų | 102 | 90% | 0.897 | 68% | 0.678 | S | S | * | * | S | Bend | trans | -175.3 | 36.1 | -175.2 | 0 | 0 | 0 | 0 | 0 | 115.2 | ||
| 301 | G | 31.9 | Very low | 43 | Very low | 73 Ų | 73 | 110.6 Ų | 110.6 | 75% | 0.753 | 72% | 0.718 | S | S | * | * | S | Bend | trans | 175.9 | 119.4 | 179.5 | 0 | 0 | 0 | 0 | 0 | 111 | G303 | G301-G303 PolarHBondContact O-N 3.48Š|
| 302 | G | 27.2 | Very low | 41.4 | Very low | 95 Ų | 95 | 112.5 Ų | 112.5 | 98% | 0.979 | 73% | 0.731 | S | S | * | * | trans | -68.4 | 120.6 | -172.4 | 0 | 0 | 0 | 0 | 0 | 113.2 | ||||
| 303 | G | 30.2 | Very low | 40.5 | Very low | 67 Ų | 67 | 118.7 Ų | 118.7 | 69% | 0.691 | 76% | 0.762 | S | S | * | * | trans | 178.9 | 111.5 | 173.6 | 0 | 0 | 0 | 0 | 0 | 109.2 | G301 A305 | G301-G303 PolarHBondContact O-N 3.48Å; G303-A305 PolarHBondContact O-N 2.85Å | ||
| 304 | G | 26.9 | Very low | 40.3 | Very low | 90 Ų | 90 | 113.5 Ų | 113.5 | 93% | 0.928 | 75% | 0.747 | S | S | * | * | trans | -65.3 | 102.9 | -167.3 | 0 | 0 | 0 | 0 | 0 | 113.8 | ||||
| 305 | A | 35.3 | Very low | 41.2 | Very low | 96 Ų | 96 | 110 Ų | 110 | 79% | 0.793 | 73% | 0.731 | S | S | * | * | trans | -91.4 | 116 | 162.4 | 0 | 0 | 0 | 0 | 0 | 109 | G303 | G303-A305 PolarHBondContact O-N 2.85Š| ||
| 306 | T | 34.2 | Very low | 43 | Very low | 120 Ų | 120 | 110.2 Ų | 110.2 | 74% | 0.736 | 73% | 0.728 | S | S | * | * | trans | -61 | 138.4 | 178.3 | 44.1 | 0 | 0 | 0 | 0 | 111.6 | N308 | T306-N308 VanDerWaalsContact C-N 3.33Å; T306-N308 PolarHBondContact O-N 3Å | ||
| 307 | M | 34.6 | Very low | 45.5 | Very low | 195 Ų | 195 | 104.4 Ų | 104.4 | 96% | 0.961 | 69% | 0.691 | S | S | * | * | trans | -65.3 | 88.9 | 171.6 | -82.4 | -166.3 | 172.4 | 0 | 0 | 111 | ||||
| 308 | N | 36.8 | Very low | 48.2 | Very low | 137 Ų | 137 | 103.1 Ų | 103.1 | 73% | 0.733 | 68% | 0.679 | S | S | * | * | trans | -98.6 | 100.4 | 161.9 | -78.6 | -11.2 | 0 | 0 | 0 | 108.7 | T306 Y310 | T306-N308 VanDerWaalsContact C-N 3.33Å; T306-N308 PolarHBondContact O-N 3Å; N308-Y310 PolarHBondContact O-N 3.16Å | ||
| 309 | N | 31.5 | Very low | 51 | Low | 144 Ų | 144 | 99.7 Ų | 99.7 | 77% | 0.77 | 64% | 0.639 | S | S | * | * | trans | -71.2 | 89 | -175.1 | -163.2 | -1.6 | 0 | 0 | 0 | 110.7 | ||||
| 310 | Y | 37.9 | Very low | 54 | Low | 202 Ų | 202 | 100.8 Ų | 100.8 | 79% | 0.792 | 62% | 0.624 | S | S | * | * | trans | -118.1 | 120.7 | 160.9 | -97.9 | -90.8 | 0 | 0 | 0 | 107.9 | N308 Q312 | N308-Y310 PolarHBondContact O-N 3.16Å; Y310-Q312 PolarHBondContact O-N 3.33Å | ||
| 311 | H | 45.9 | Very low | 57 | Low | 180 Ų | 180 | 96.8 Ų | 96.8 | 83% | 0.833 | 58% | 0.583 | S | S | * | * | trans | -62 | 90.3 | 161.1 | -88.4 | 43.7 | 0 | 0 | 0 | 108 | I313 | H311-I313 PolarHBondContact O-N 3.02Å; H311-I313 VanDerWaalsContact O-N 3.15Å | ||
| 312 | Q | 55.4 | Low | 60 | Low | 139 Ų | 139 | 100.4 Ų | 100.4 | 65% | 0.65 | 57% | 0.573 | S | S | * | * | trans | -68.6 | 112.5 | 171.4 | -71.4 | -176 | 7.8 | 0 | 0 | 107.4 | Y310 | Y310-Q312 PolarHBondContact O-N 3.33Š| ||
| 313 | I | 64.3 | Low | 63.2 | Low | 142 Ų | 142 | 96 Ų | 96 | 73% | 0.728 | 53% | 0.527 | S | S | * | . | P | Polyproline II helix | trans | -55.3 | 122.7 | 172.4 | -60.4 | 172.2 | 0 | 0 | 0 | 106.5 | H311 | H311-I313 PolarHBondContact O-N 3.02Å; H311-I313 VanDerWaalsContact O-N 3.15Å |
| 314 | P | 72.2 | Confident | 66.1 | Low | 37 Ų | 37 | 95.6 Ų | 95.6 | 24% | 0.24 | 51% | 0.512 | C | S | . | . | P | Polyproline II helix | trans | -60.7 | 139.8 | -177 | 21.6 | -29.4 | 0 | 0 | 0 | 109.5 | T292 I294 M316 | T292-P314 WeakPolarHBondContact O-CB 3.23Å; I294-P314 HydrophobicContact CD1-CB 4.31Å; I294-P314 HydrophobicContact CD1-CG 4.36Å; I294-P314 HydrophobicContact CG1-CB 3.83Å; I294-P314 HydrophobicContact CG1-CG 4.3Å; P314-M316 PolarHBondContact O-N 3.45Å |
| 315 | P | 81.2 | Confident | 69.1 | Low | 34 Ų | 34 | 91.6 Ų | 91.6 | 22% | 0.221 | 47% | 0.469 | C | S | . | . | P | Polyproline II helix | trans | -57.8 | 131.1 | 178.5 | 24.4 | -33.3 | 0 | 0 | 0 | 109.9 | A146 T292 | A146-P315 HydrophobicContact CB-CB 3.86Å; T292-P315 HydrophobicContact CG2-CG 4.34Å; T292-P315 PolarHBondContact N-O 3.26Å; T292-P315 WeakPolarHBondContact OG1-CD 3.35Å; T292-P315 WeakPolarHBondContact OG1-CG 3.31Å; T292-P315 PolarHBondContact OG1-O 2.92Å |
| 316 | M | 87.3 | Confident | 71.6 | Confident | 90 Ų | 90 | 93.1 Ų | 93.1 | 44% | 0.443 | 46% | 0.458 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.5 | 150.8 | -177.5 | 65.9 | 176.3 | 179.3 | 0 | 0 | 111.2 | T289 V290 R291 P314 | T289-M316 HydrophobicContact CG2-SD 4.26Å; V290-M316 CarbonylContact O-C 3.57Å; V290-M316 WeakPolarHBondContact O-CA 3.42Å; V290-M316 WeakPolarHBondContact O-CB 3.21Å; R291-M316 HydrophobicContact CB-CB 4.45Å; R291-M316 HydrophobicContact CG-CB 3.86Å; P314-M316 PolarHBondContact O-N 3.45Å |
| 317 | I | 91.6 | Very high | 73.9 | Confident | 9 Ų | 9 | 88.9 Ų | 88.9 | 5% | 0.046 | 43% | 0.433 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.6 | 151.9 | 171 | 55.4 | -177.7 | 0 | 0 | 0 | 109.5 | C145 A146 P159 F161 A186 T289 V290 | C145-I317 VanDerWaalsContact C-CG2 3.4Å; A146-I317 HydrophobicContact CB-CG2 3.92Å; P159-I317 HydrophobicContact CB-CD1 3.9Å; P159-I317 HydrophobicContact CB-CG1 4.18Å; P159-I317 HydrophobicContact CG-CD1 4.22Å; P159-I317 HydrophobicContact CG-CG1 3.97Å; P159-I317 HydrophobicContact CG-CG2 4.33Å; P159-I317 WeakPolarHBondContact O-CG2 3.47Å; F161-I317 HydrophobicContact CD1-CD1 3.71Å; F161-I317 HydrophobicContact CD2-CD1 3.83Å; F161-I317 HydrophobicContact CE1-CD1 3.66Å; F161-I317 HydrophobicContact CE1-CG1 3.97Å; F161-I317 HydrophobicContact CE2-CB 3.9Å; F161-I317 HydrophobicContact CE2-CD1 3.79Å; F161-I317 HydrophobicContact CE2-CG1 3.99Å; F161-I317 HydrophobicContact CG-CD1 3.78Å; F161-I317 HydrophobicContact CZ-CB 3.95Å; F161-I317 HydrophobicContact CZ-CD1 3.68Å; F161-I317 HydrophobicContact CZ-CG1 3.67Å; A186-I317 HydrophobicContact CB-CD1 4.09Å; T289-I317 WeakPolarHBondContact CA-O 3.39Å; V290-I317 HydrophobicContact CB-CD1 4.31Å; V290-I317 HydrophobicContact CB-CG1 3.76Å; V290-I317 HydrophobicContact CG2-CD1 4.38Å; V290-I317 HydrophobicContact CG2-CG1 4.06Å; V290-I317 PolarHBondContact N-O 3.23Å; V290-I317 PolarHBondContact O-N 2.71Å |
| 318 | T | 92.5 | Very high | 76.2 | Confident | 66 Ų | 66 | 82.3 Ų | 82.3 | 41% | 0.405 | 40% | 0.398 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.8 | 140.3 | 178 | 56.1 | 0 | 0 | 0 | 0 | 110.4 | C288 T289 | C288-T318 VanDerWaalsContact O-CA 3.25Å; C288-T318 WeakPolarHBondContact O-CA 3.01Å; T289-T318 HydrophobicContact CG2-CG2 3.97Å |
| 319 | R | 93 | Very high | 78.3 | Confident | 15 Ų | 15 | 81.5 Ų | 81.5 | 6% | 0.057 | 40% | 0.398 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.9 | 134 | 174.6 | 162.7 | -175.8 | -67.6 | -174.8 | -8.6 | 108.5 | F161 T163 L170 D183 Q287 C288 F321 | F161-R319 HydrophobicContact CE1-CB 3.96Å; F161-R319 HydrophobicContact CE2-CB 3.77Å; F161-R319 VanDerWaalsContact CG-NH2 3.33Å; F161-R319 HydrophobicContact CZ-CB 3.37Å; T163-R319 PolarHBondContact O-NH2 2.73Å; T163-R319 PolarHBondContact OG1-NH1 3.31Å; L170-R319 HydrophobicContact CD2-CG 3.92Å; D183-R319 WeakPolarHBondContact O-CD 3.47Å; D183-R319 PolarHBondContact O-NH1 2.93Å; Q287-R319 WeakPolarHBondContact CA-O 3.41Å; C288-R319 PolarHBondContact N-O 3.31Å; C288-R319 PolarHBondContact O-N 3.21Å; R319-F321 VanDerWaalsContact CD-CZ 3.41Å; R319-F321 HydrophobicContact CG-CD2 4.47Å; R319-F321 HydrophobicContact CG-CE1 4.34Å; R319-F321 HydrophobicContact CG-CE2 3.79Å; R319-F321 HydrophobicContact CG-CZ 3.73Å |
| 320 | Q | 93.5 | Very high | 80.5 | Confident | 98 Ų | 98 | 78.7 Ų | 78.7 | 46% | 0.458 | 38% | 0.383 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.9 | 133.4 | -176.8 | -74.6 | 167.7 | -52.8 | 0 | 0 | 109.2 | E285 Y286 Q287 | E285-Q320 PolarHBondContact OE1-NE2 3.14Å; Y286-Q320 CarbonylContact O-C 3.59Å; Y286-Q320 WeakPolarHBondContact O-CA 3.32Å; Q287-Q320 HydrophobicContact CB-CG 3.98Å; Q287-Q320 HydrophobicContact CG-CG 3.88Å |
| 321 | F | 94.4 | Very high | 82.4 | Confident | 4 Ų | 4 | 70.9 Ų | 70.9 | 2% | 0.018 | 36% | 0.364 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.3 | 134 | 173.6 | -54 | -94.1 | 0 | 0 | 0 | 109.9 | L165 L170 F182 D183 C184 W202 E285 Y286 R319 | L165-F321 HydrophobicContact CD1-CE1 3.72Å; L165-F321 HydrophobicContact CD1-CZ 4.2Å; L170-F321 HydrophobicContact CD2-CD1 4.21Å; L170-F321 HydrophobicContact CD2-CE1 4.16Å; L170-F321 CarbonylContact O-C 3.49Å; L170-F321 WeakPolarHBondContact O-CA 3.3Å; F182-F321 HydrophobicContact CB-CD1 4.47Å; F182-F321 HydrophobicContact CB-CD2 4.04Å; F182-F321 HydrophobicContact CB-CE1 4.22Å; F182-F321 HydrophobicContact CB-CE2 3.78Å; F182-F321 HydrophobicContact CB-CG 4.36Å; F182-F321 HydrophobicContact CB-CZ 3.86Å; F182-F321 HydrophobicContact CD1-CB 3.69Å; F182-F321 AromaticContact CD1-CD1 3.52Å; F182-F321 HydrophobicContact CD1-CD1 3.52Å; F182-F321 AromaticContact CD1-CD2 3.91Å; F182-F321 HydrophobicContact CD1-CD2 3.91Å; F182-F321 HydrophobicContact CD1-CE1 4.02Å; F182-F321 HydrophobicContact CD1-CE2 4.38Å; F182-F321 AromaticContact CD1-CG 3.44Å; F182-F321 HydrophobicContact CD1-CG 3.44Å; F182-F321 VanDerWaalsContact CD1-CG 3.44Å; F182-F321 HydrophobicContact CD1-CZ 4.41Å; F182-F321 HydrophobicContact CE1-CB 3.6Å; F182-F321 HydrophobicContact CE1-CD1 4.16Å; F182-F321 AromaticContact CE1-CG 3.91Å; F182-F321 HydrophobicContact CE1-CG 3.91Å; F182-F321 HydrophobicContact CG-CD1 4.37Å; F182-F321 HydrophobicContact CG-CD2 4.1Å; F182-F321 HydrophobicContact CG-CE2 4.34Å; F182-F321 HydrophobicContact CG-CG 4.1Å; F182-F321 HydrophobicContact CZ-CB 4.38Å; D183-F321 WeakPolarHBondContact O-CZ 3.32Å; C184-F321 VanDerWaalsContact SG-CE2 3.53Å; W202-F321 AromaticContact CH2-CE2 3.84Å; W202-F321 HydrophobicContact CH2-CE2 3.84Å; W202-F321 HydrophobicContact CZ3-CD2 4.11Å; W202-F321 AromaticContact CZ3-CE2 3.8Å; W202-F321 HydrophobicContact CZ3-CE2 3.8Å; E285-F321 CarbonylContact C-O 3.51Å; E285-F321 VanDerWaalsContact CA-O 3.27Å; E285-F321 WeakPolarHBondContact CA-O 3.35Å; Y286-F321 PolarHBondContact N-O 3.02Å; Y286-F321 PolarHBondContact O-N 3.05Å; R319-F321 VanDerWaalsContact CD-CZ 3.41Å; R319-F321 HydrophobicContact CG-CD2 4.47Å; R319-F321 HydrophobicContact CG-CE1 4.34Å; R319-F321 HydrophobicContact CG-CE2 3.79Å; R319-F321 HydrophobicContact CG-CZ 3.73Å |
| 322 | R | 94.5 | Very high | 84.2 | Confident | 148 Ų | 148 | 65.7 Ų | 65.7 | 56% | 0.558 | 35% | 0.348 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -109.4 | 93.5 | 176.5 | -173.9 | 176.6 | 174.9 | 166.8 | -1.5 | 110 | L170 N171 | L170-R322 PolarHBondContact O-N 3.33Å; N171-R322 WeakPolarHBondContact OD1-CB 3.37Å |
| 323 | L | 93.4 | Very high | 85.6 | Confident | 3 Ų | 3 | 59.2 Ų | 59.2 | 2% | 0.016 | 32% | 0.317 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -77.6 | 125.4 | -178.7 | 179.4 | 56.2 | 0 | 0 | 0 | 110.9 | P172 K174 I180 F182 L278 H282 G284 Y286 V325 | P172-L323 HydrophobicContact CG-CD1 4.27Å; K174-L323 HydrophobicContact CB-CD1 4.42Å; K174-L323 HydrophobicContact CG-CD1 4.25Å; I180-L323 HydrophobicContact CD1-CD1 3.93Å; I180-L323 HydrophobicContact CG2-CD2 4.42Å; F182-L323 HydrophobicContact CZ-CB 4.03Å; F182-L323 HydrophobicContact CZ-CD2 4.02Å; F182-L323 HydrophobicContact CZ-CG 4.45Å; L278-L323 HydrophobicContact CD2-CD2 3.81Å; H282-L323 HydrophobicContact CB-CD2 4.18Å; H282-L323 WeakPolarHBondContact O-CD2 3.27Å; G284-L323 PolarHBondContact N-O 3.06Å; G284-L323 PolarHBondContact O-N 3.25Å; Y286-L323 HydrophobicContact CD2-CB 4.25Å; Y286-L323 HydrophobicContact CE2-CB 3.99Å; Y286-L323 HydrophobicContact CE2-CD2 4.02Å; L323-V325 HydrophobicContact CD1-CG2 4.25Å; L323-V325 HydrophobicContact CD2-CG2 4.04Å; L323-V325 HydrophobicContact CG-CG2 3.92Å |
| 324 | T | 91.8 | Very high | 86.7 | Confident | 59 Ų | 59 | 52.5 Ų | 52.5 | 36% | 0.362 | 28% | 0.283 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.9 | 109.9 | 169.3 | -54.7 | 0 | 0 | 0 | 0 | 110 | P172 T173 K174 N283 | P172-T324 PolarHBondContact O-N 3.04Å; T173-T324 CarbonylContact C-O 3.47Å; T173-T324 VanDerWaalsContact CA-O 3.26Å; T173-T324 WeakPolarHBondContact CA-O 3.4Å; T173-T324 HydrophobicContact CG2-CG2 4.3Å; K174-T324 PolarHBondContact N-O 3.46Å; N283-T324 WeakPolarHBondContact OD1-CA 3.33Å |
| 325 | V | 89.7 | Confident | 87.4 | Confident | 6 Ų | 6 | 54.1 Ų | 54.1 | 4% | 0.036 | 29% | 0.287 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -95 | 121.3 | 173.4 | -171.5 | 0 | 0 | 0 | 0 | 108.8 | K174 L278 L280 H282 N283 L323 | K174-V325 CarbonylContact O-C 3.56Å; K174-V325 WeakPolarHBondContact O-CA 3.42Å; L278-V325 HydrophobicContact CB-CG1 4.12Å; L278-V325 HydrophobicContact CB-CG2 4.18Å; L278-V325 HydrophobicContact CD1-CG2 4.49Å; L278-V325 HydrophobicContact CD2-CG2 4.39Å; L280-V325 HydrophobicContact CD2-CB 4.45Å; L280-V325 HydrophobicContact CD2-CG1 4.45Å; L280-V325 WeakPolarHBondContact CD2-O 3.19Å; H282-V325 HydrophobicContact CB-CG2 4.25Å; N283-V325 PolarHBondContact ND2-O 2.95Å; N283-V325 PolarHBondContact OD1-N 3.44Å; L323-V325 HydrophobicContact CD1-CG2 4.25Å; L323-V325 HydrophobicContact CD2-CG2 4.04Å; L323-V325 HydrophobicContact CG-CG2 3.92Å |
| 326 | K | 87.8 | Confident | 87.7 | Confident | 128 Ų | 128 | 55.1 Ų | 55.1 | 56% | 0.557 | 30% | 0.304 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -73 | 143.1 | 173.1 | -63 | 178.1 | 177.4 | 178.3 | 0 | 110.3 | T173 K174 W176 | T173-K326 HydrophobicContact CG2-CD 4.3Å; T173-K326 HydrophobicContact CG2-CG 4Å; K174-K326 PolarHBondContact O-N 3.03Å; W176-K326 WeakPolarHBondContact CB-O 3.44Å; W176-K326 PolarHBondContact N-O 3.32Å; W176-K326 VanDerWaalsContact N-O 3.14Å |
| 327 | S | 83.5 | Confident | 87.8 | Confident | 30 Ų | 30 | 54.7 Ų | 54.7 | 21% | 0.21 | 31% | 0.308 | C | S | . | . | P | Polyproline II helix | trans | -62.9 | 157.8 | 175.2 | 56.7 | 0 | 0 | 0 | 0 | 112.5 | T329 A494 | S327-T329 PolarHBondContact O-N 3.17Å; S327-A494 WeakPolarHBondContact OG-CB 3.33Å |
| 328 | R | 82.6 | Confident | 87.7 | Confident | 58 Ų | 58 | 57.1 Ų | 57.1 | 22% | 0.219 | 32% | 0.319 | C | S | . | . | P | Polyproline II helix | trans | -64.1 | 129.4 | 179.2 | -167.2 | -179.7 | 178 | -179.2 | -2.1 | 112.2 | W176 D330 E360 R496 | W176-R328 HydrophobicContact CB-CB 4.26Å; W176-R328 HydrophobicContact CD2-CB 4.26Å; W176-R328 HydrophobicContact CD2-CG 4.3Å; W176-R328 HydrophobicContact CE3-CG 4.17Å; W176-R328 HydrophobicContact CG-CB 4.09Å; R328-D330 WeakPolarHBondContact CG-OD1 3.37Å; R328-D330 IonicContact CZ-OD1 3.07Å; R328-D330 IonicContact CZ-OD2 3.69Å; R328-D330 VanDerWaalsContact NE-CG 3.31Å; R328-D330 IonicContact NE-OD1 3.89Å; R328-D330 PolarHBondContact NE-OD1 3.42Å; R328-D330 IonicContact NE-OD2 3.27Å; R328-D330 PolarHBondContact NE-OD2 3.04Å; R328-D330 VanDerWaalsContact NE-OD2 3.14Å; R328-D330 IonicContact NH2-OD2 2.67Å; R328-D330 PolarHBondContact NH2-OD2 3.28Å; R328-E360 HydrophobicContact CB-CB 4.46Å; R328-E360 WeakPolarHBondContact CD-OE2 3.21Å; R328-E360 IonicContact CZ-OE2 3.01Å; R328-E360 PolarHBondContact N-O 3.21Å; R328-E360 IonicContact NE-OE2 3.27Å; R328-E360 IonicContact NH1-OE2 2.78Å; R328-E360 PolarHBondContact NH1-OE2 3.2Å; R328-R496 PolarHBondContact O-NH1 3.3Å |
| 329 | T | 79.6 | Confident | 87.7 | Confident | 120 Ų | 120 | 59.7 Ų | 59.7 | 74% | 0.736 | 33% | 0.329 | S | S | * | . | S | Bend | trans | -92.1 | -19.2 | -177.5 | 48.3 | 0 | 0 | 0 | 0 | 114.1 | S327 R496 | S327-T329 PolarHBondContact O-N 3.17Å; T329-R496 VanDerWaalsContact C-NH1 3.25Å; T329-R496 PolarHBondContact O-NH1 2.56Å |
| 330 | D | 79 | Confident | 87.7 | Confident | 85 Ų | 85 | 60.5 Ų | 60.5 | 46% | 0.455 | 33% | 0.334 | S | S | . | . | S | Bend | trans | -107.1 | -177.1 | 175.7 | 69.5 | -57.9 | 0 | 0 | 0 | 111.6 | R328 R496 | R328-D330 WeakPolarHBondContact CG-OD1 3.37Å; R328-D330 IonicContact CZ-OD1 3.07Å; R328-D330 IonicContact CZ-OD2 3.69Å; R328-D330 VanDerWaalsContact NE-CG 3.31Å; R328-D330 IonicContact NE-OD1 3.89Å; R328-D330 PolarHBondContact NE-OD1 3.42Å; R328-D330 IonicContact NE-OD2 3.27Å; R328-D330 PolarHBondContact NE-OD2 3.04Å; R328-D330 VanDerWaalsContact NE-OD2 3.14Å; R328-D330 IonicContact NH2-OD2 2.67Å; R328-D330 PolarHBondContact NH2-OD2 3.28Å; D330-R496 PolarHBondContact O-NH1 3.07Å |
| 331 | G | 78 | Confident | 87.7 | Confident | 38 Ų | 38 | 61.7 Ų | 61.7 | 39% | 0.392 | 34% | 0.343 | S | S | . | . | S | Bend | trans | 77.5 | 168.1 | 176.4 | 0 | 0 | 0 | 0 | 0 | 115.6 | R496 | G331-R496 PolarHBondContact O-NH2 2.79Š|
| 332 | S | 82.3 | Confident | 87.6 | Confident | 71 Ų | 71 | 66 Ų | 66 | 50% | 0.497 | 36% | 0.364 | S | S | . | . | trans | -74.3 | 140.7 | 168.6 | 48.4 | 0 | 0 | 0 | 0 | 110.5 | H338 | S332-H338 VanDerWaalsContact CB-NE2 3.31Å; S332-H338 WeakPolarHBondContact CB-NE2 3.42Å | ||
| 333 | I | 85.1 | Confident | 87.4 | Confident | 2 Ų | 2 | 63.9 Ų | 63.9 | 1% | 0.01 | 37% | 0.367 | C | S | . | . | S | Bend | trans | -86.7 | -38 | 177.3 | -52.6 | -177.9 | 0 | 0 | 0 | 109.7 | V356 H361 V490 T492 R496 D498 | I333-V356 HydrophobicContact CG2-CG1 3.75Å; I333-V356 HydrophobicContact CG2-CG2 4.3Å; I333-H361 HydrophobicContact CG2-CB 4.38Å; I333-V490 HydrophobicContact CG2-CG1 3.78Å; I333-T492 HydrophobicContact CD1-CG2 3.81Å; I333-T492 HydrophobicContact CG2-CG2 3.57Å; I333-R496 HydrophobicContact CD1-CB 3.62Å; I333-D498 WeakPolarHBondContact CA-OD2 3.48Å; I333-D498 HydrophobicContact CB-CB 3.71Å; I333-D498 WeakPolarHBondContact CB-OD2 3.44Å; I333-D498 HydrophobicContact CD1-CB 3.83Å; I333-D498 HydrophobicContact CG1-CB 3.87Å; I333-D498 PolarHBondContact N-OD2 3.29Å |
| 334 | I | 87.7 | Confident | 87.3 | Confident | 1 Ų | 1 | 64.4 Ų | 64.4 | 1% | 0.005 | 37% | 0.371 | C | S | . | . | B | Isolated β-bridge | trans | -84.7 | 133 | 179.5 | -55.4 | 173.6 | 0 | 0 | 0 | 110.1 | Q355 V490 D498 K500 | I334-Q355 WeakPolarHBondContact CA-O 3.11Å; I334-V490 HydrophobicContact CD1-CB 4.19Å; I334-V490 HydrophobicContact CD1-CG2 3.7Å; I334-V490 HydrophobicContact CG1-CB 4.07Å; I334-V490 HydrophobicContact CG1-CG2 3.64Å; I334-D498 HydrophobicContact CD1-CB 4.23Å; I334-D498 HydrophobicContact CG1-CB 4.16Å; I334-D498 PolarHBondContact N-OD2 2.92Å; I334-K500 HydrophobicContact CD1-CB 3.7Å; I334-K500 HydrophobicContact CG2-CB 4.1Å; I334-K500 HydrophobicContact CG2-CD 3.74Å |
| 335 | E | 87 | Confident | 87.2 | Confident | 72 Ų | 72 | 67.8 Ų | 67.8 | 34% | 0.336 | 38% | 0.382 | S | S | . | . | trans | -77.3 | 136.7 | 176.1 | -65 | -179.3 | 179.6 | 0 | 0 | 112.2 | Q355 N357 | E335-Q355 HydrophobicContact CB-CB 4.46Å; E335-Q355 PolarHBondContact N-O 3.31Å; E335-Q355 WeakPolarHBondContact OE2-CG 3.31Å; E335-Q355 PolarHBondContact OE2-NE2 3.42Å; E335-N357 HydrophobicContact CG-CB 4.44Å; E335-N357 VanDerWaalsContact OE1-CA 3.23Å; E335-N357 WeakPolarHBondContact OE1-CA 3.32Å; E335-N357 VanDerWaalsContact OE1-CB 3.26Å; E335-N357 WeakPolarHBondContact OE1-CB 3.23Å; E335-N357 PolarHBondContact OE1-N 2.9Å | ||
| 336 | G | 86.6 | Confident | 87.1 | Confident | 55 Ų | 55 | 69 Ų | 69 | 57% | 0.567 | 39% | 0.393 | S | S | * | . | S | Bend | trans | 87.1 | -160.1 | 175 | 0 | 0 | 0 | 0 | 0 | 114.5 | H338 | G336-H338 PolarHBondContact O-N 3.42Š|
| 337 | P | 89.6 | Confident | 87 | Confident | 81 Ų | 81 | 65 Ų | 65 | 53% | 0.526 | 39% | 0.389 | S | S | . | . | trans | -72.2 | 129.1 | -175.7 | 27.6 | -33.4 | 0 | 0 | 0 | 112 | I339 I340 K500 | P337-I339 VanDerWaalsContact C-N 3.3Å; P337-I339 PolarHBondContact O-N 2.91Å; P337-I340 HydrophobicContact CB-CG1 4.39Å; P337-I340 HydrophobicContact CG-CD1 4.11Å; P337-I340 HydrophobicContact CG-CG1 3.94Å; P337-K500 WeakPolarHBondContact O-CE 3.33Å | ||
| 338 | H | 91 | Very high | 87.2 | Confident | 59 Ų | 59 | 68.1 Ų | 68.1 | 27% | 0.273 | 40% | 0.399 | S | S | . | . | S | Bend | trans | -74.6 | -14.9 | 176.1 | -73.1 | -108.7 | 0 | 0 | 0 | 114.1 | S332 G336 D498 H499 K500 F501 | S332-H338 VanDerWaalsContact CB-NE2 3.31Å; S332-H338 WeakPolarHBondContact CB-NE2 3.42Å; G336-H338 PolarHBondContact O-N 3.42Å; H338-D498 IonicContact CE1-OD1 3.39Å; H338-D498 PolarHBondContact CE1-OD1 3.12Å; H338-D498 IonicContact CE1-OD2 3.14Å; H338-D498 PolarHBondContact CE1-OD2 3.19Å; H338-D498 VanDerWaalsContact CE1-OD2 3.31Å; H338-D498 IonicContact ND1-OD1 3.34Å; H338-D498 PolarHBondContact ND1-OD1 2.85Å; H338-H499 PolarHBondContact ND1-O 3.48Å; H338-H499 VanDerWaalsContact ND1-O 3.08Å; H338-K500 CarbonylContact O-C 3.53Å; H338-K500 WeakPolarHBondContact O-CA 3.15Å; H338-F501 PolarHBondContact O-N 3.34Å |
| 339 | I | 91.5 | Very high | 87.4 | Confident | 120 Ų | 120 | 68.7 Ų | 68.7 | 62% | 0.615 | 41% | 0.407 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -132 | 121.4 | 177.6 | -56.2 | 177.7 | 0 | 0 | 0 | 107.8 | P337 F501 | P337-I339 VanDerWaalsContact C-N 3.3Å; P337-I339 PolarHBondContact O-N 2.91Å; I339-F501 WeakPolarHBondContact CA-O 3.24Å |
| 340 | I | 92.7 | Very high | 88 | Confident | 32 Ų | 32 | 63.7 Ų | 63.7 | 16% | 0.164 | 38% | 0.378 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.2 | 130.4 | 178.8 | -64.4 | 178.2 | 0 | 0 | 0 | 107.8 | P337 E342 K500 F501 V502 Q503 | P337-I340 HydrophobicContact CB-CG1 4.39Å; P337-I340 HydrophobicContact CG-CD1 4.11Å; P337-I340 HydrophobicContact CG-CG1 3.94Å; I340-E342 HydrophobicContact CG2-CB 4.45Å; I340-E342 HydrophobicContact CG2-CG 3.39Å; I340-K500 VanDerWaalsContact CD1-CE 3.43Å; I340-F501 PolarHBondContact N-O 3.17Å; I340-V502 HydrophobicContact CB-CG1 4.36Å; I340-V502 HydrophobicContact CB-CG2 4.35Å; I340-V502 HydrophobicContact CG2-CG1 4.18Å; I340-V502 CarbonylContact O-C 3.58Å; I340-V502 WeakPolarHBondContact O-CA 3.36Å; I340-Q503 PolarHBondContact O-N 3.38Å |
| 341 | N | 93.7 | Very high | 88.5 | Confident | 123 Ų | 123 | 62.4 Ų | 62.4 | 66% | 0.658 | 37% | 0.37 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -120 | 114.5 | 176.4 | -65.5 | -25.4 | 0 | 0 | 0 | 108.2 | Q503 | N341-Q503 WeakPolarHBondContact OD1-CB 3.08Å |
| 342 | E | 91.7 | Very high | 89.2 | Confident | 95 Ų | 95 | 61.5 Ų | 61.5 | 44% | 0.444 | 36% | 0.356 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.9 | 141.5 | -167.5 | -76 | -77.4 | -170.5 | 0 | 0 | 112.1 | I340 F352 Q503 S505 | I340-E342 HydrophobicContact CG2-CB 4.45Å; I340-E342 HydrophobicContact CG2-CG 3.39Å; E342-F352 HydrophobicContact CB-CE1 3.88Å; E342-F352 HydrophobicContact CB-CZ 4.2Å; E342-F352 HydrophobicContact CG-CE1 3.83Å; E342-Q503 PolarHBondContact N-O 3.07Å; E342-S505 PolarHBondContact O-N 3.2Å |
| 343 | T | 91.9 | Very high | 89.7 | Confident | 104 Ų | 104 | 62.6 Ų | 62.6 | 64% | 0.638 | 35% | 0.353 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -113.1 | 116 | -179.5 | 55.2 | 0 | 0 | 0 | 0 | 109.8 | S505 | T343-S505 WeakPolarHBondContact CA-O 3.47Å |
| 344 | V | 90.4 | Very high | 90.1 | Very high | 14 Ų | 14 | 62.5 Ų | 62.5 | 9% | 0.085 | 35% | 0.352 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.1 | 134.1 | -177.3 | -175.7 | 0 | 0 | 0 | 0 | 108.9 | Q348 A350 F352 A478 I504 S505 V506 V507 | V344-Q348 HydrophobicContact CG1-CB 4.14Å; V344-A350 HydrophobicContact CG1-CB 4.04Å; V344-A350 HydrophobicContact CG2-CB 3.79Å; V344-F352 HydrophobicContact CG2-CZ 4.42Å; V344-A478 HydrophobicContact CB-CB 4.43Å; V344-A478 HydrophobicContact CG1-CB 3.65Å; V344-I504 HydrophobicContact CG2-CG2 4.06Å; V344-S505 PolarHBondContact N-O 3.42Å; V344-S505 VanDerWaalsContact N-O 3.07Å; V344-V506 CarbonylContact O-C 3.34Å; V344-V506 VanDerWaalsContact O-CA 3.26Å; V344-V506 WeakPolarHBondContact O-CA 3.38Å; V344-V507 PolarHBondContact O-N 3.23Å |
| 345 | E | 89.7 | Confident | 90.2 | Very high | 129 Ų | 129 | 66.2 Ų | 66.2 | 60% | 0.603 | 37% | 0.37 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -75.8 | 140.4 | 174.4 | -172.4 | 174.8 | -160.8 | 0 | 0 | 110.5 | G347 Q348 V507 | E345-G347 PolarHBondContact O-N 2.66Å; E345-Q348 HydrophobicContact CB-CG 3.92Å; E345-Q348 VanDerWaalsContact O-CB 3.31Å; E345-Q348 WeakPolarHBondContact O-CB 3.42Å; E345-Q348 PolarHBondContact O-N 3.06Å; E345-V507 CarbonylContact C-O 3.49Å; E345-V507 WeakPolarHBondContact CA-O 3.46Å |
| 346 | A | 87.9 | Confident | 90.2 | Very high | 33 Ų | 33 | 62.8 Ų | 62.8 | 27% | 0.273 | 35% | 0.354 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -60.5 | 131.6 | -177.7 | 0 | 0 | 0 | 0 | 0 | 112.1 | Q348 A478 V506 V507 G508 | A346-Q348 VanDerWaalsContact C-N 3.35Å; A346-A478 CarbonylContact C-O 3.52Å; A346-A478 WeakPolarHBondContact CA-O 3.48Å; A346-V506 HydrophobicContact CB-CG1 3.91Å; A346-V507 PolarHBondContact N-O 3.26Å; A346-G508 VanDerWaalsContact CB-O 3.31Å; A346-G508 WeakPolarHBondContact CB-O 3.29Å |
| 347 | G | 85.8 | Confident | 90 | Very high | 44 Ų | 44 | 61.6 Ų | 61.6 | 45% | 0.454 | 33% | 0.334 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 85.7 | -5.6 | -173.8 | 0 | 0 | 0 | 0 | 0 | 115.4 | E345 A478 | E345-G347 PolarHBondContact O-N 2.66Å; G347-A478 PolarHBondContact N-O 2.69Å |
| 348 | Q | 87 | Confident | 89.3 | Confident | 94 Ų | 94 | 60.7 Ų | 60.7 | 44% | 0.439 | 33% | 0.328 | S | S | . | . | trans | -79.6 | 155.7 | 168.7 | -64.9 | -63.8 | -29.9 | 0 | 0 | 111.7 | V344 E345 A346 A478 | V344-Q348 HydrophobicContact CG1-CB 4.14Å; E345-Q348 HydrophobicContact CB-CG 3.92Å; E345-Q348 VanDerWaalsContact O-CB 3.31Å; E345-Q348 WeakPolarHBondContact O-CB 3.42Å; E345-Q348 PolarHBondContact O-N 3.06Å; A346-Q348 VanDerWaalsContact C-N 3.35Å; Q348-A478 WeakPolarHBondContact O-CB 3.46Å; Q348-A478 PolarHBondContact O-N 3.46Å | ||
| 349 | D | 88.1 | Confident | 88.4 | Confident | 70 Ų | 70 | 61.8 Ų | 61.8 | 37% | 0.374 | 33% | 0.333 | S | S | . | . | trans | -93.5 | 143.3 | 169.6 | -72.9 | 8.2 | 0 | 0 | 0 | 109.2 | L475 R476 Q477 | D349-L475 CarbonylContact C-O 3.59Å; D349-L475 VanDerWaalsContact CA-O 3.27Å; D349-L475 WeakPolarHBondContact CA-O 3.34Å; D349-R476 VanDerWaalsContact OD1-CA 3.31Å; D349-R476 WeakPolarHBondContact OD1-CA 3.46Å; D349-R476 IonicContact OD2-NE 3.77Å; D349-Q477 PolarHBondContact OD1-N 3.49Å | ||
| 350 | A | 90.2 | Very high | 87.6 | Confident | 15 Ų | 15 | 57.6 Ų | 57.6 | 12% | 0.124 | 31% | 0.312 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -139 | 143.8 | 179.3 | 0 | 0 | 0 | 0 | 0 | 111.6 | V344 F352 L475 | V344-A350 HydrophobicContact CG1-CB 4.04Å; V344-A350 HydrophobicContact CG2-CB 3.79Å; A350-F352 HydrophobicContact CB-CE2 3.97Å; A350-F352 HydrophobicContact CB-CZ 4.02Å; A350-L475 HydrophobicContact CB-CB 4.41Å; A350-L475 PolarHBondContact N-O 2.78Å; A350-L475 PolarHBondContact O-N 3.27Å |
| 351 | I | 91.3 | Very high | 86.9 | Confident | 59 Ų | 59 | 56.1 Ų | 56.1 | 30% | 0.303 | 30% | 0.304 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.1 | 130 | -176.6 | -54.9 | 179 | 0 | 0 | 0 | 110 | Q472 L473 V474 | I351-Q472 HydrophobicContact CG2-CB 4.07Å; I351-L473 CarbonylContact C-O 3.51Å; I351-L473 VanDerWaalsContact CA-O 3.32Å; I351-L473 WeakPolarHBondContact CA-O 3.35Å; I351-V474 HydrophobicContact CG1-CG1 4.42Å; I351-V474 HydrophobicContact CG1-CG2 4.38Å; I351-V474 HydrophobicContact CG2-CG2 4.45Å |
| 352 | F | 92.8 | Very high | 85.8 | Confident | 18 Ų | 18 | 55.6 Ų | 55.6 | 8% | 0.079 | 29% | 0.293 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.6 | 130 | 176.8 | -51.8 | -78.8 | 0 | 0 | 0 | 110.8 | E342 V344 A350 W368 Q472 L473 L475 V502 I504 | E342-F352 HydrophobicContact CB-CE1 3.88Å; E342-F352 HydrophobicContact CB-CZ 4.2Å; E342-F352 HydrophobicContact CG-CE1 3.83Å; V344-F352 HydrophobicContact CG2-CZ 4.42Å; A350-F352 HydrophobicContact CB-CE2 3.97Å; A350-F352 HydrophobicContact CB-CZ 4.02Å; F352-W368 HydrophobicContact CB-CH2 4.13Å; F352-W368 WeakPolarHBondContact O-CZ2 3.34Å; F352-Q472 CarbonylContact O-C 3.6Å; F352-Q472 VanDerWaalsContact O-CA 3.31Å; F352-Q472 WeakPolarHBondContact O-CA 3.25Å; F352-L473 HydrophobicContact CB-CB 4.29Å; F352-L473 HydrophobicContact CD2-CB 4.48Å; F352-L473 HydrophobicContact CD2-CD2 4Å; F352-L473 HydrophobicContact CD2-CG 4.2Å; F352-L473 PolarHBondContact N-O 2.84Å; F352-L473 PolarHBondContact O-N 2.86Å; F352-L475 HydrophobicContact CD2-CD1 4.44Å; F352-L475 HydrophobicContact CE2-CD1 4.21Å; F352-V502 HydrophobicContact CB-CG2 4.31Å; F352-V502 HydrophobicContact CD1-CG1 3.75Å; F352-V502 HydrophobicContact CD2-CG1 4.2Å; F352-V502 HydrophobicContact CE1-CG1 3.99Å; F352-V502 HydrophobicContact CE2-CG1 4.41Å; F352-V502 HydrophobicContact CG-CG1 3.87Å; F352-V502 HydrophobicContact CZ-CG1 4.3Å; F352-I504 HydrophobicContact CD2-CD1 4Å; F352-I504 HydrophobicContact CE2-CD1 3.38Å; F352-I504 HydrophobicContact CE2-CG1 4.08Å; F352-I504 HydrophobicContact CZ-CD1 3.99Å; F352-I504 HydrophobicContact CZ-CG1 4.19Å |
| 353 | H | 91.8 | Very high | 84.6 | Confident | 95 Ų | 95 | 54.6 Ų | 54.6 | 44% | 0.44 | 30% | 0.296 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.2 | 137.4 | -174.2 | -63.2 | -93.8 | 0 | 0 | 0 | 112.3 | Q472 K500 | H353-Q472 PolarHBondContact CE1-NE2 3.5Å; H353-K500 WeakPolarHBondContact O-CE 3.32Å; H353-K500 PolarHBondContact O-NZ 3.48Å |
| 354 | C | 92.6 | Very high | 83.7 | Confident | 0 Ų | 0 | 50.1 Ų | 50.1 | 0% | 0 | 27% | 0.269 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.8 | 124 | 165.7 | -165.2 | 0 | 0 | 0 | 0 | 107.9 | I366 W368 S470 S471 C488 | C354-I366 HydrophobicContact CB-CG2 4.39Å; C354-W368 HydrophobicContact CB-CH2 4.07Å; C354-W368 HydrophobicContact CB-CZ2 3.45Å; C354-W368 VanDerWaalsContact CB-CZ2 3.45Å; C354-S470 CarbonylContact O-C 3.47Å; C354-S470 VanDerWaalsContact O-CA 3.28Å; C354-S470 WeakPolarHBondContact O-CA 3.25Å; C354-S470 PolarHBondContact O-OG 3.03Å; C354-S471 PolarHBondContact N-O 3.43Å; C354-S471 PolarHBondContact O-N 3.2Å; C354-C488 HydrophobicContact CB-CB 3.67Å; C354-C488 WeakPolarHBondContact CB-SG 3.48Å; C354-C488 WeakPolarHBondContact SG-CB 3.33Å; C354-C488 CovalentContact SG-SG 2.03Å; C354-C488 PolarHBondContact SG-SG 2.74Å |
| 355 | Q | 90.4 | Very high | 83.5 | Confident | 79 Ų | 79 | 52.7 Ų | 52.7 | 37% | 0.369 | 29% | 0.285 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -139.4 | 143.8 | -173.1 | -180 | 170.8 | -34.2 | 0 | 0 | 108.4 | I334 E335 | I334-Q355 WeakPolarHBondContact CA-O 3.11Å; E335-Q355 HydrophobicContact CB-CB 4.46Å; E335-Q355 PolarHBondContact N-O 3.31Å; E335-Q355 WeakPolarHBondContact OE2-CG 3.31Å; E335-Q355 PolarHBondContact OE2-NE2 3.42Å |
| 356 | V | 87.4 | Confident | 83.5 | Confident | 0 Ų | 0 | 47.1 Ų | 47.1 | 0% | 0 | 26% | 0.259 | C | S | . | . | B | Isolated β-bridge | trans | -124.7 | 133.5 | -178.7 | 173.3 | 0 | 0 | 0 | 0 | 108 | I333 P358 H361 I366 Q469 V490 | I333-V356 HydrophobicContact CG2-CG1 3.75Å; I333-V356 HydrophobicContact CG2-CG2 4.3Å; V356-P358 WeakPolarHBondContact O-CD 3.49Å; V356-P358 VanDerWaalsContact O-N 3.16Å; V356-H361 HydrophobicContact CG1-CB 3.87Å; V356-I366 HydrophobicContact CG2-CD1 3.85Å; V356-I366 HydrophobicContact CG2-CG1 4.41Å; V356-Q469 HydrophobicContact CB-CB 4.18Å; V356-Q469 PolarHBondContact N-O 2.86Å; V356-V490 HydrophobicContact CG2-CB 4.39Å; V356-V490 HydrophobicContact CG2-CG1 3.53Å; V356-V490 HydrophobicContact CG2-CG2 3.98Å |
| 357 | N | 81.5 | Confident | 83.7 | Confident | 30 Ų | 30 | 50.1 Ų | 50.1 | 16% | 0.16 | 26% | 0.263 | C | S | . | . | trans | -67.4 | 112.5 | 179.9 | -173.4 | -6.2 | 0 | 0 | 0 | 110.5 | E335 E359 E360 H361 | E335-N357 HydrophobicContact CG-CB 4.44Å; E335-N357 VanDerWaalsContact OE1-CA 3.23Å; E335-N357 WeakPolarHBondContact OE1-CA 3.32Å; E335-N357 VanDerWaalsContact OE1-CB 3.26Å; E335-N357 WeakPolarHBondContact OE1-CB 3.23Å; E335-N357 PolarHBondContact OE1-N 2.9Å; N357-E359 PolarHBondContact O-N 3.23Å; N357-E359 WeakPolarHBondContact OD1-CB 3.44Å; N357-E359 PolarHBondContact OD1-N 3.48Å; N357-E360 HydrophobicContact CB-CB 4.27Å; N357-E360 HydrophobicContact CB-CG 4.41Å; N357-E360 PolarHBondContact ND2-OE1 2.86Å; N357-E360 PolarHBondContact O-N 3.16Å; N357-H361 PolarHBondContact O-N 2.86Å | ||
| 358 | P | 76.4 | Confident | 84.1 | Confident | 62 Ų | 62 | 48.1 Ų | 48.1 | 40% | 0.403 | 24% | 0.242 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -69.3 | -16.7 | -179.4 | 31.1 | -36.8 | 0 | 0 | 0 | 113.5 | V356 | V356-P358 WeakPolarHBondContact O-CD 3.49Å; V356-P358 VanDerWaalsContact O-N 3.16Å |
| 359 | E | 71.4 | Confident | 84.4 | Confident | 81 Ų | 81 | 43.6 Ų | 43.6 | 38% | 0.379 | 22% | 0.221 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -79 | -22.8 | 177.6 | -58.5 | 179.8 | 177 | 0 | 0 | 112.5 | W176 L280 N357 | W176-E359 PolarHBondContact NE1-O 2.75Å; L280-E359 WeakPolarHBondContact CB-O 3.31Å; L280-E359 PolarHBondContact N-O 3.23Å; N357-E359 PolarHBondContact O-N 3.23Å; N357-E359 WeakPolarHBondContact OD1-CB 3.44Å; N357-E359 PolarHBondContact OD1-N 3.48Å |
| 360 | E | 75.9 | Confident | 84.7 | Confident | 33 Ų | 33 | 41.9 Ų | 41.9 | 15% | 0.154 | 21% | 0.21 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -103.5 | -31.9 | -179.5 | -68 | -177.9 | -115.7 | 0 | 0 | 112.8 | W176 L280 R328 N357 | W176-E360 HydrophobicContact CZ2-CG 3.9Å; L280-E360 VanDerWaalsContact CD1-C 3.42Å; L280-E360 VanDerWaalsContact CD1-O 3.23Å; L280-E360 WeakPolarHBondContact CD1-O 3.25Å; R328-E360 HydrophobicContact CB-CB 4.46Å; R328-E360 WeakPolarHBondContact CD-OE2 3.21Å; R328-E360 IonicContact CZ-OE2 3.01Å; R328-E360 PolarHBondContact N-O 3.21Å; R328-E360 IonicContact NE-OE2 3.27Å; R328-E360 IonicContact NH1-OE2 2.78Å; R328-E360 PolarHBondContact NH1-OE2 3.2Å; N357-E360 HydrophobicContact CB-CB 4.27Å; N357-E360 HydrophobicContact CB-CG 4.41Å; N357-E360 PolarHBondContact ND2-OE1 2.86Å; N357-E360 PolarHBondContact O-N 3.16Å |
| 361 | H | 76.7 | Confident | 84.8 | Confident | 1 Ų | 1 | 43.2 Ų | 43.2 | 1% | 0.005 | 22% | 0.219 | C | C | . | . | trans | -132 | 123.9 | -175.5 | -59.2 | -63.9 | 0 | 0 | 0 | 113.3 | I333 V356 N357 Q469 T492 | I333-H361 HydrophobicContact CG2-CB 4.38Å; V356-H361 HydrophobicContact CG1-CB 3.87Å; N357-H361 PolarHBondContact O-N 2.86Å; H361-Q469 PolarHBondContact O-NE2 2.92Å; H361-T492 HydrophobicContact CB-CG2 3.91Å | ||
| 362 | R | 71.5 | Confident | 84.8 | Confident | 112 Ų | 112 | 41 Ų | 41 | 42% | 0.423 | 21% | 0.207 | S | C | . | . | S | Bend | trans | -80.6 | 138.7 | 171.8 | -96.3 | 166.8 | -175.6 | -123.5 | -7.3 | 111.3 | L280 S364 E493 | L280-R362 HydrophobicContact CD1-CB 4.23Å; L280-R362 HydrophobicContact CD1-CG 3.96Å; L280-R362 PolarHBondContact O-NH2 3.02Å; R362-S364 PolarHBondContact O-N 2.76Å; R362-E493 PolarHBondContact O-N 3.17Å |
| 363 | S | 66.1 | Low | 84.5 | Confident | 73 Ų | 73 | 45.8 Ų | 45.8 | 51% | 0.51 | 23% | 0.233 | S | C | . | . | S | Bend | trans | 49.5 | 55.4 | 160.2 | -37.5 | 0 | 0 | 0 | 0 | 113.3 | E493 | S363-E493 PolarHBondContact OG-OE2 3.35Š|
| 364 | S | 73.1 | Confident | 84.1 | Confident | 10 Ų | 10 | 47.1 Ų | 47.1 | 7% | 0.07 | 24% | 0.244 | C | C | . | . | trans | -72.9 | 130.8 | 173.6 | 68.4 | 0 | 0 | 0 | 0 | 111.6 | R362 Q469 L491 | R362-S364 PolarHBondContact O-N 2.76Å; S364-Q469 VanDerWaalsContact CB-OE1 3.23Å; S364-Q469 PolarHBondContact OG-OE1 2.98Å; S364-L491 WeakPolarHBondContact CA-O 3.4Å | ||
| 365 | T | 86.6 | Confident | 83.7 | Confident | 69 Ų | 69 | 54.5 Ų | 54.5 | 42% | 0.423 | 28% | 0.283 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.7 | 126.2 | 163.2 | 57 | 0 | 0 | 0 | 0 | 107.7 | V490 L491 | T365-V490 WeakPolarHBondContact O-CA 3.42Å; T365-L491 PolarHBondContact N-O 2.94Å; T365-L491 PolarHBondContact O-N 3.17Å; T365-L491 PolarHBondContact OG1-O 3.1Å |
| 366 | I | 89.9 | Confident | 83.4 | Confident | 11 Ų | 11 | 54.7 Ų | 54.7 | 6% | 0.056 | 28% | 0.284 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.1 | 124.7 | -178.6 | -50 | -175.7 | 0 | 0 | 0 | 107.8 | C354 V356 V465 Q469 C488 V490 | C354-I366 HydrophobicContact CB-CG2 4.39Å; V356-I366 HydrophobicContact CG2-CD1 3.85Å; V356-I366 HydrophobicContact CG2-CG1 4.41Å; I366-V465 HydrophobicContact CB-CG1 4.48Å; I366-V465 HydrophobicContact CB-CG2 3.82Å; I366-V465 HydrophobicContact CD1-CG1 4.05Å; I366-V465 HydrophobicContact CG1-CG1 4.18Å; I366-V465 HydrophobicContact CG1-CG2 4.36Å; I366-Q469 VanDerWaalsContact CD1-O 3.24Å; I366-Q469 WeakPolarHBondContact CD1-O 3.22Å; I366-C488 WeakPolarHBondContact CG2-SG 3.48Å; I366-V490 HydrophobicContact CB-CG2 4.46Å; I366-V490 HydrophobicContact CG1-CG2 4.08Å; I366-V490 HydrophobicContact CG2-CG2 4.07Å |
| 367 | R | 92.2 | Very high | 83.3 | Confident | 97 Ų | 97 | 58.7 Ų | 58.7 | 37% | 0.366 | 30% | 0.3 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.6 | 150 | 176 | -68.9 | -174.5 | 171.3 | -159.2 | -1.5 | 110.4 | E386 W390 C488 S489 | R367-E386 IonicContact CZ-OE1 3.6Å; R367-E386 IonicContact CZ-OE2 3.74Å; R367-E386 IonicContact NH1-OE1 3.72Å; R367-E386 PolarHBondContact NH1-OE1 2.69Å; R367-E386 IonicContact NH1-OE2 3.76Å; R367-E386 PolarHBondContact NH1-OE2 3.38Å; R367-E386 IonicContact NH2-OE1 3.09Å; R367-W390 HydrophobicContact CB-CH2 3.68Å; R367-W390 HydrophobicContact CB-CZ2 3.99Å; R367-C488 CarbonylContact O-C 3.57Å; R367-C488 WeakPolarHBondContact O-CA 3.31Å; R367-S489 PolarHBondContact N-O 3.25Å; R367-S489 PolarHBondContact O-N 3.28Å |
| 368 | W | 93.8 | Very high | 83.4 | Confident | 1 Ų | 1 | 63.5 Ų | 63.5 | 0% | 0.004 | 33% | 0.325 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.6 | 146.3 | 171.9 | -67.8 | 87.9 | 0 | 0 | 0 | 110.9 | F352 C354 L398 A462 S471 L473 V487 C488 V502 | F352-W368 HydrophobicContact CB-CH2 4.13Å; F352-W368 WeakPolarHBondContact O-CZ2 3.34Å; C354-W368 HydrophobicContact CB-CH2 4.07Å; C354-W368 HydrophobicContact CB-CZ2 3.45Å; C354-W368 VanDerWaalsContact CB-CZ2 3.45Å; W368-L398 HydrophobicContact CB-CB 4.47Å; W368-L398 HydrophobicContact CB-CD1 4.14Å; W368-L398 PolarHBondContact O-N 3.44Å; W368-A462 HydrophobicContact CB-CB 4Å; W368-A462 HydrophobicContact CG-CB 4.16Å; W368-S471 PolarHBondContact NE1-OG 3.39Å; W368-L473 HydrophobicContact CD2-CB 3.75Å; W368-L473 HydrophobicContact CE3-CB 3.76Å; W368-L473 HydrophobicContact CE3-CD2 3.93Å; W368-L473 HydrophobicContact CE3-CG 4.37Å; W368-L473 HydrophobicContact CG-CB 4.41Å; W368-L473 HydrophobicContact CH2-CB 3.8Å; W368-L473 HydrophobicContact CZ2-CB 3.8Å; W368-L473 HydrophobicContact CZ3-CB 3.79Å; W368-L473 HydrophobicContact CZ3-CD2 3.9Å; W368-L473 HydrophobicContact CZ3-CG 4.5Å; W368-V487 CarbonylContact C-O 3.57Å; W368-V487 VanDerWaalsContact CA-O 3.28Å; W368-V487 WeakPolarHBondContact CA-O 3.2Å; W368-C488 HydrophobicContact CD2-CB 3.91Å; W368-C488 HydrophobicContact CE3-CB 3.76Å; W368-C488 HydrophobicContact CH2-CB 3.92Å; W368-C488 HydrophobicContact CZ2-CB 4.04Å; W368-C488 HydrophobicContact CZ3-CB 3.77Å; W368-V502 HydrophobicContact CH2-CG2 4.38Å; W368-V502 HydrophobicContact CZ3-CG2 4.03Å |
| 369 | G | 93.4 | Very high | 83.8 | Confident | 0 Ų | 0 | 63.1 Ų | 63.1 | 0% | 0 | 33% | 0.326 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -142 | 159.5 | 169.8 | 0 | 0 | 0 | 0 | 0 | 112.9 | V396 Y486 V487 | G369-V396 CarbonylContact C-O 3.58Å; G369-V396 WeakPolarHBondContact CA-O 3.35Å; G369-Y486 CarbonylContact O-C 3.55Å; G369-Y486 VanDerWaalsContact O-CA 3.28Å; G369-Y486 WeakPolarHBondContact O-CA 3.4Å; G369-V487 PolarHBondContact N-O 2.9Å; G369-V487 PolarHBondContact O-N 3.46Å |
| 370 | K | 93.8 | Very high | 84.5 | Confident | 34 Ų | 34 | 61.2 Ų | 61.2 | 15% | 0.148 | 32% | 0.316 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.5 | 134.8 | 173.1 | -172.3 | -177.5 | -175.3 | 178.3 | 0 | 109.4 | I372 F395 V396 L398 S481 Y486 | K370-I372 PolarHBondContact O-N 3.21Å; K370-F395 VanDerWaalsContact C-CD1 3.46Å; K370-F395 CarbonylContact O-C 3.53Å; K370-F395 VanDerWaalsContact O-CA 3.24Å; K370-F395 WeakPolarHBondContact O-CA 3.24Å; K370-V396 HydrophobicContact CB-CG1 4.08Å; K370-V396 PolarHBondContact N-O 3.21Å; K370-V396 PolarHBondContact O-N 2.79Å; K370-L398 HydrophobicContact CB-CD2 4.35Å; K370-S481 PolarHBondContact NZ-O 2.53Å; K370-Y486 HydrophobicContact CB-CD1 3.96Å; K370-Y486 HydrophobicContact CB-CE1 3.76Å; K370-Y486 HydrophobicContact CD-CE1 3.91Å; K370-Y486 HydrophobicContact CD-CE2 4.48Å; K370-Y486 WeakPolarHBondContact CD-OH 3.38Å; K370-Y486 WeakPolarHBondContact CE-OH 3.32Å; K370-Y486 HydrophobicContact CG-CD1 4.16Å; K370-Y486 HydrophobicContact CG-CE1 3.74Å; K370-Y486 HydrophobicContact CG-CE2 4.28Å |
| 371 | S | 93 | Very high | 85 | Confident | 43 Ų | 43 | 63.3 Ų | 63.3 | 30% | 0.301 | 33% | 0.326 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -62.3 | 133.4 | 177.2 | 62.1 | 0 | 0 | 0 | 0 | 110.1 | F395 R485 | S371-F395 VanDerWaalsContact N-CD1 3.3Å; S371-R485 WeakPolarHBondContact CB-O 3.15Å; S371-R485 PolarHBondContact N-O 3.01Å; S371-R485 PolarHBondContact OG-N 2.89Å; S371-R485 PolarHBondContact OG-O 3.03Å; S371-R485 VanDerWaalsContact OG-O 3.1Å |
| 372 | I | 90.9 | Very high | 85.2 | Confident | 11 Ų | 11 | 67.4 Ų | 67.4 | 6% | 0.056 | 36% | 0.36 | C | S | . | . | trans | -123.6 | 149.6 | 174.2 | 62.2 | 175.3 | 0 | 0 | 0 | 109.8 | K370 E376 R377 Y380 V387 T394 V396 | K370-I372 PolarHBondContact O-N 3.21Å; I372-E376 HydrophobicContact CB-CB 4.4Å; I372-R377 HydrophobicContact CD1-CB 4.29Å; I372-Y380 HydrophobicContact CB-CD2 4.46Å; I372-Y380 HydrophobicContact CB-CE2 4.3Å; I372-Y380 HydrophobicContact CD1-CD2 3.98Å; I372-Y380 HydrophobicContact CD1-CG 4.28Å; I372-Y380 HydrophobicContact CG2-CD2 4.03Å; I372-Y380 HydrophobicContact CG2-CE1 4.45Å; I372-Y380 HydrophobicContact CG2-CE2 3.64Å; I372-V387 HydrophobicContact CD1-CG1 3.85Å; I372-V387 HydrophobicContact CD1-CG2 3.95Å; I372-T394 HydrophobicContact CD1-CG2 3.99Å; I372-T394 HydrophobicContact CG1-CG2 3.76Å; I372-T394 PolarHBondContact N-O 2.86Å; I372-V396 HydrophobicContact CD1-CB 4.49Å; I372-V396 HydrophobicContact CG2-CB 4.1Å; I372-V396 HydrophobicContact CG2-CG1 3.76Å | ||
| 373 | D | 87.2 | Confident | 85.8 | Confident | 119 Ų | 119 | 67.9 Ų | 67.9 | 64% | 0.636 | 37% | 0.367 | S | S | * | . | trans | -75 | 153.3 | 173.8 | -78 | -34 | 0 | 0 | 0 | 110.9 | N375 E376 R377 | D373-N375 PolarHBondContact O-N 3.47Å; D373-E376 HydrophobicContact CB-CG 4.27Å; D373-E376 PolarHBondContact N-OE2 3.25Å; D373-E376 WeakPolarHBondContact O-CB 2.99Å; D373-E376 PolarHBondContact O-N 2.71Å; D373-R377 PolarHBondContact O-N 3.15Å | ||
| 374 | N | 83.3 | Confident | 86.6 | Confident | 124 Ų | 124 | 67.7 Ų | 67.7 | 66% | 0.663 | 38% | 0.377 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -56.9 | -27 | 180 | -75.9 | -17.5 | 0 | 0 | 0 | 113.4 | ||
| 375 | N | 84.3 | Confident | 87.2 | Confident | 154 Ų | 154 | 72.7 Ų | 72.7 | 82% | 0.824 | 39% | 0.394 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -73 | -30.7 | 176.4 | -63.8 | -19.7 | 0 | 0 | 0 | 112.5 | D373 | D373-N375 PolarHBondContact O-N 3.47Š|
| 376 | E | 83.3 | Confident | 87.3 | Confident | 83 Ų | 83 | 73.7 Ų | 73.7 | 39% | 0.388 | 39% | 0.394 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -80.9 | -27.8 | -178.9 | -57.7 | -174.7 | 133 | 0 | 0 | 112 | I372 D373 L378 A379 Y380 | I372-E376 HydrophobicContact CB-CB 4.4Å; D373-E376 HydrophobicContact CB-CG 4.27Å; D373-E376 PolarHBondContact N-OE2 3.25Å; D373-E376 WeakPolarHBondContact O-CB 2.99Å; D373-E376 PolarHBondContact O-N 2.71Å; E376-L378 PolarHBondContact O-N 3.44Å; E376-L378 VanDerWaalsContact O-N 3.1Å; E376-A379 WeakPolarHBondContact O-CA 3.43Å; E376-A379 WeakPolarHBondContact O-CB 2.98Å; E376-A379 PolarHBondContact O-N 3.06Å; E376-Y380 HydrophobicContact CB-CD2 3.93Å; E376-Y380 HydrophobicContact CB-CE2 3.84Å; E376-Y380 WeakPolarHBondContact O-CD2 3.36Å; E376-Y380 PolarHBondContact O-N 3.44Å; E376-Y380 VanDerWaalsContact O-N 3.14Å |
| 377 | R | 85.2 | Confident | 87.3 | Confident | 85 Ų | 85 | 74.2 Ų | 74.2 | 32% | 0.321 | 40% | 0.398 | S | S | . | . | H | α-helix | trans | -43.2 | -48.1 | -178.6 | 175.6 | 172.7 | 179.3 | 162.9 | 8.5 | 113.5 | I372 D373 A379 Y380 E381 V387 | I372-R377 HydrophobicContact CD1-CB 4.29Å; D373-R377 PolarHBondContact O-N 3.15Å; R377-A379 VanDerWaalsContact C-N 3.3Å; R377-A379 PolarHBondContact O-N 3.21Å; R377-Y380 PolarHBondContact O-N 3.12Å; R377-E381 HydrophobicContact CG-CG 4.32Å; R377-E381 IonicContact CZ-OE1 2.71Å; R377-E381 IonicContact NE-OE1 2.99Å; R377-E381 PolarHBondContact NE-OE1 3.42Å; R377-E381 IonicContact NE-OE2 3.06Å; R377-E381 IonicContact NH2-OE1 3.95Å; R377-E381 PolarHBondContact NH2-OE1 2.99Å; R377-E381 WeakPolarHBondContact O-CB 3.45Å; R377-E381 WeakPolarHBondContact O-CG 3.26Å; R377-E381 PolarHBondContact O-N 3.31Å; R377-V387 HydrophobicContact CG-CG1 4.26Å |
| 378 | L | 83.6 | Confident | 87.1 | Confident | 131 Ų | 131 | 71.7 Ų | 71.7 | 69% | 0.686 | 39% | 0.391 | S | S | * | . | H | α-helix | trans | -64.2 | -32.1 | -179.3 | -68.4 | 172.7 | 0 | 0 | 0 | 113.1 | E376 A382 | E376-L378 PolarHBondContact O-N 3.44Å; E376-L378 VanDerWaalsContact O-N 3.1Å; L378-A382 WeakPolarHBondContact O-CB 3.39Å; L378-A382 PolarHBondContact O-N 3.29Å |
| 379 | A | 85.5 | Confident | 86.7 | Confident | 53 Ų | 53 | 78 Ų | 78 | 44% | 0.438 | 42% | 0.421 | S | S | . | . | H | α-helix | trans | -72.2 | -46.4 | 175.8 | 0 | 0 | 0 | 0 | 0 | 111 | E376 R377 E381 A382 E383 | E376-A379 WeakPolarHBondContact O-CA 3.43Å; E376-A379 WeakPolarHBondContact O-CB 2.98Å; E376-A379 PolarHBondContact O-N 3.06Å; R377-A379 VanDerWaalsContact C-N 3.3Å; R377-A379 PolarHBondContact O-N 3.21Å; A379-E381 PolarHBondContact O-N 3.47Å; A379-A382 PolarHBondContact O-N 3.35Å; A379-E383 WeakPolarHBondContact O-CG 3.38Å; A379-E383 PolarHBondContact O-N 3.25Å |
| 380 | Y | 85.4 | Confident | 86.4 | Confident | 41 Ų | 41 | 79.5 Ų | 79.5 | 16% | 0.161 | 43% | 0.426 | C | S | . | . | H | α-helix | trans | -62.5 | -42.5 | 176.8 | -77.3 | -87.2 | 0 | 0 | 0 | 112.4 | I372 E376 R377 E383 G384 R385 V396 | I372-Y380 HydrophobicContact CB-CD2 4.46Å; I372-Y380 HydrophobicContact CB-CE2 4.3Å; I372-Y380 HydrophobicContact CD1-CD2 3.98Å; I372-Y380 HydrophobicContact CD1-CG 4.28Å; I372-Y380 HydrophobicContact CG2-CD2 4.03Å; I372-Y380 HydrophobicContact CG2-CE1 4.45Å; I372-Y380 HydrophobicContact CG2-CE2 3.64Å; E376-Y380 HydrophobicContact CB-CD2 3.93Å; E376-Y380 HydrophobicContact CB-CE2 3.84Å; E376-Y380 WeakPolarHBondContact O-CD2 3.36Å; E376-Y380 PolarHBondContact O-N 3.44Å; E376-Y380 VanDerWaalsContact O-N 3.14Å; R377-Y380 PolarHBondContact O-N 3.12Å; Y380-E383 PolarHBondContact O-N 3.09Å; Y380-G384 PolarHBondContact O-N 3.41Å; Y380-R385 HydrophobicContact CD1-CB 4.45Å; Y380-R385 WeakPolarHBondContact O-CB 3.48Å; Y380-R385 PolarHBondContact O-N 2.83Å; Y380-V396 HydrophobicContact CD1-CB 3.91Å; Y380-V396 HydrophobicContact CD1-CG1 4.16Å; Y380-V396 HydrophobicContact CD1-CG2 3.61Å; Y380-V396 HydrophobicContact CE1-CB 4.15Å; Y380-V396 HydrophobicContact CE1-CG1 3.86Å; Y380-V396 HydrophobicContact CE1-CG2 4.07Å; Y380-V396 HydrophobicContact CG-CB 4.45Å; Y380-V396 HydrophobicContact CG-CG2 4.39Å |
| 381 | E | 85.4 | Confident | 85.8 | Confident | 77 Ų | 77 | 81.1 Ų | 81.1 | 36% | 0.36 | 45% | 0.446 | S | S | . | . | H | α-helix | trans | -66.4 | -38.5 | 175.5 | -72.7 | 176.3 | 166.1 | 0 | 0 | 111.9 | R377 A379 E383 G384 V387 | R377-E381 HydrophobicContact CG-CG 4.32Å; R377-E381 IonicContact CZ-OE1 2.71Å; R377-E381 IonicContact NE-OE1 2.99Å; R377-E381 PolarHBondContact NE-OE1 3.42Å; R377-E381 IonicContact NE-OE2 3.06Å; R377-E381 IonicContact NH2-OE1 3.95Å; R377-E381 PolarHBondContact NH2-OE1 2.99Å; R377-E381 WeakPolarHBondContact O-CB 3.45Å; R377-E381 WeakPolarHBondContact O-CG 3.26Å; R377-E381 PolarHBondContact O-N 3.31Å; A379-E381 PolarHBondContact O-N 3.47Å; E381-E383 VanDerWaalsContact C-N 3.33Å; E381-E383 PolarHBondContact O-N 3.26Å; E381-G384 PolarHBondContact O-N 2.96Å; E381-V387 HydrophobicContact CG-CB 4.16Å; E381-V387 HydrophobicContact CG-CG2 3.94Å |
| 382 | A | 81.8 | Confident | 85.3 | Confident | 88 Ų | 88 | 83.2 Ų | 83.2 | 73% | 0.727 | 47% | 0.474 | S | S | * | . | H | α-helix | trans | -68.8 | -28.5 | 176.5 | 0 | 0 | 0 | 0 | 0 | 113.7 | L378 A379 G384 | L378-A382 WeakPolarHBondContact O-CB 3.39Å; L378-A382 PolarHBondContact O-N 3.29Å; A379-A382 PolarHBondContact O-N 3.35Å; A382-G384 PolarHBondContact O-N 2.84Å |
| 383 | E | 84.1 | Confident | 85.1 | Confident | 121 Ų | 121 | 83.9 Ų | 83.9 | 57% | 0.565 | 48% | 0.484 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -75.9 | -2.6 | 169.6 | -70.7 | 171.6 | 174.4 | 0 | 0 | 113.2 | A379 Y380 E381 R385 | A379-E383 WeakPolarHBondContact O-CG 3.38Å; A379-E383 PolarHBondContact O-N 3.25Å; Y380-E383 PolarHBondContact O-N 3.09Å; E381-E383 VanDerWaalsContact C-N 3.33Å; E381-E383 PolarHBondContact O-N 3.26Å; E383-R385 VanDerWaalsContact C-N 3.34Å; E383-R385 HydrophobicContact CB-CG 4.32Å; E383-R385 IonicContact OE1-NH2 2.69Å; E383-R385 IonicContact OE2-CZ 3.58Å; E383-R385 IonicContact OE2-NE 2.78Å; E383-R385 PolarHBondContact OE2-NE 3.15Å; E383-R385 IonicContact OE2-NH2 2.66Å; E383-R385 PolarHBondContact OE2-NH2 2.96Å |
| 384 | G | 83.2 | Confident | 85.3 | Confident | 70 Ų | 70 | 79 Ų | 79 | 72% | 0.722 | 46% | 0.459 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 75.7 | 17.8 | -177.9 | 0 | 0 | 0 | 0 | 0 | 114.3 | Y380 E381 A382 | Y380-G384 PolarHBondContact O-N 3.41Å; E381-G384 PolarHBondContact O-N 2.96Å; A382-G384 PolarHBondContact O-N 2.84Å |
| 385 | R | 85 | Confident | 85.8 | Confident | 114 Ų | 114 | 73.4 Ų | 73.4 | 43% | 0.43 | 43% | 0.428 | S | S | . | . | trans | -81.3 | 137.5 | 175.2 | -59.9 | -160.5 | -100.5 | 178.4 | -1 | 110.3 | Y380 E383 V387 V396 | Y380-R385 HydrophobicContact CD1-CB 4.45Å; Y380-R385 WeakPolarHBondContact O-CB 3.48Å; Y380-R385 PolarHBondContact O-N 2.83Å; E383-R385 VanDerWaalsContact C-N 3.34Å; E383-R385 HydrophobicContact CB-CG 4.32Å; E383-R385 IonicContact OE1-NH2 2.69Å; E383-R385 IonicContact OE2-CZ 3.58Å; E383-R385 IonicContact OE2-NE 2.78Å; E383-R385 PolarHBondContact OE2-NE 3.15Å; E383-R385 IonicContact OE2-NH2 2.66Å; E383-R385 PolarHBondContact OE2-NH2 2.96Å; R385-V387 PolarHBondContact O-N 2.8Å; R385-V396 HydrophobicContact CB-CG2 3.89Å | ||
| 386 | E | 89.4 | Confident | 86.1 | Confident | 90 Ų | 90 | 66.3 Ų | 66.3 | 42% | 0.421 | 39% | 0.391 | S | S | . | . | trans | -69.7 | 120.3 | 179.4 | -172.1 | -177.4 | -157.7 | 0 | 0 | 109.7 | R367 I388 V397 | R367-E386 IonicContact CZ-OE1 3.6Å; R367-E386 IonicContact CZ-OE2 3.74Å; R367-E386 IonicContact NH1-OE1 3.72Å; R367-E386 PolarHBondContact NH1-OE1 2.69Å; R367-E386 IonicContact NH1-OE2 3.76Å; R367-E386 PolarHBondContact NH1-OE2 3.38Å; R367-E386 IonicContact NH2-OE1 3.09Å; E386-I388 HydrophobicContact CG-CD1 4.08Å; E386-I388 HydrophobicContact CG-CG1 4.03Å; E386-V397 HydrophobicContact CB-CB 4.15Å; E386-V397 HydrophobicContact CB-CG2 4.06Å; E386-V397 HydrophobicContact CG-CB 4.46Å; E386-V397 HydrophobicContact CG-CG2 3.88Å; E386-V397 PolarHBondContact O-N 2.84Å | ||
| 387 | V | 88.7 | Confident | 86.5 | Confident | 23 Ų | 23 | 63.5 Ų | 63.5 | 14% | 0.139 | 38% | 0.379 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.7 | 125.4 | 176.5 | 178.1 | 0 | 0 | 0 | 0 | 109.1 | I372 R377 E381 R385 T394 F395 | I372-V387 HydrophobicContact CD1-CG1 3.85Å; I372-V387 HydrophobicContact CD1-CG2 3.95Å; R377-V387 HydrophobicContact CG-CG1 4.26Å; E381-V387 HydrophobicContact CG-CB 4.16Å; E381-V387 HydrophobicContact CG-CG2 3.94Å; R385-V387 PolarHBondContact O-N 2.8Å; V387-T394 HydrophobicContact CG1-CG2 3.47Å; V387-T394 VanDerWaalsContact CG1-CG2 3.47Å; V387-F395 CarbonylContact C-O 3.54Å; V387-F395 WeakPolarHBondContact CA-O 3.45Å |
| 388 | I | 87.9 | Confident | 86.8 | Confident | 43 Ų | 43 | 60.4 Ų | 60.4 | 22% | 0.221 | 37% | 0.369 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.8 | 150 | -175.7 | -56.1 | -178.7 | 0 | 0 | 0 | 109.8 | E386 W390 F395 V397 | E386-I388 HydrophobicContact CG-CD1 4.08Å; E386-I388 HydrophobicContact CG-CG1 4.03Å; I388-W390 HydrophobicContact CB-CD2 4.39Å; I388-W390 HydrophobicContact CB-CZ2 4.3Å; I388-W390 HydrophobicContact CD1-CH2 4.26Å; I388-W390 HydrophobicContact CD1-CZ2 3.75Å; I388-W390 HydrophobicContact CG2-CD2 4.09Å; I388-W390 HydrophobicContact CG2-CG 4.21Å; I388-W390 HydrophobicContact CG2-CZ2 4.18Å; I388-F395 PolarHBondContact N-O 3.02Å; I388-F395 PolarHBondContact O-N 2.93Å; I388-V397 HydrophobicContact CB-CG2 4.42Å; I388-V397 HydrophobicContact CD1-CG2 3.5Å; I388-V397 VanDerWaalsContact CD1-CG2 3.5Å; I388-V397 HydrophobicContact CG1-CG2 3.74Å |
| 389 | Q | 87.4 | Confident | 87 | Confident | 134 Ų | 134 | 58 Ų | 58 | 63% | 0.626 | 36% | 0.361 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -92.8 | 120.8 | 167.7 | -70.1 | -178.1 | -18.8 | 0 | 0 | 110.4 | G393 | Q389-G393 VanDerWaalsContact CA-O 3.29Å; Q389-G393 WeakPolarHBondContact CA-O 3.34Å |
| 390 | W | 86.6 | Confident | 86.9 | Confident | 32 Ų | 32 | 59 Ų | 59 | 12% | 0.121 | 36% | 0.364 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.9 | 134 | 176.8 | -72.3 | -39.2 | 0 | 0 | 0 | 109.3 | R367 I388 G392 G393 F395 V397 V487 | R367-W390 HydrophobicContact CB-CH2 3.68Å; R367-W390 HydrophobicContact CB-CZ2 3.99Å; I388-W390 HydrophobicContact CB-CD2 4.39Å; I388-W390 HydrophobicContact CB-CZ2 4.3Å; I388-W390 HydrophobicContact CD1-CH2 4.26Å; I388-W390 HydrophobicContact CD1-CZ2 3.75Å; I388-W390 HydrophobicContact CG2-CD2 4.09Å; I388-W390 HydrophobicContact CG2-CG 4.21Å; I388-W390 HydrophobicContact CG2-CZ2 4.18Å; W390-G392 PolarHBondContact O-N 3.34Å; W390-G393 PolarHBondContact N-O 2.9Å; W390-G393 PolarHBondContact O-N 2.95Å; W390-F395 HydrophobicContact CB-CD2 4.05Å; W390-F395 HydrophobicContact CB-CE2 4.31Å; W390-F395 HydrophobicContact CE3-CB 3.94Å; W390-F395 HydrophobicContact CE3-CD2 4.48Å; W390-F395 HydrophobicContact CE3-CG 4.25Å; W390-F395 HydrophobicContact CZ3-CB 4.38Å; W390-F395 WeakPolarHBondContact O-CE2 3.5Å; W390-V397 HydrophobicContact CH2-CG2 3.86Å; W390-V397 HydrophobicContact CZ3-CG2 4.36Å; W390-V487 HydrophobicContact CD2-CG1 4.46Å; W390-V487 HydrophobicContact CE3-CG1 3.56Å; W390-V487 HydrophobicContact CZ3-CG1 4.18Å |
| 391 | A | 81.8 | Confident | 86.9 | Confident | 67 Ų | 67 | 58.3 Ų | 58.3 | 55% | 0.554 | 37% | 0.365 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 47.2 | 35.2 | -179.6 | 0 | 0 | 0 | 0 | 0 | 114.9 | G393 F501 | A391-G393 VanDerWaalsContact C-N 3.31Å; A391-G393 PolarHBondContact O-N 2.8Å; A391-F501 HydrophobicContact CB-CE1 4.36Å; A391-F501 HydrophobicContact CB-CZ 3.67Å |
| 392 | G | 82.6 | Confident | 86.5 | Confident | 87 Ų | 87 | 56.8 Ų | 56.8 | 90% | 0.897 | 36% | 0.362 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 78.8 | -0.6 | -179.2 | 0 | 0 | 0 | 0 | 0 | 116.2 | W390 | W390-G392 PolarHBondContact O-N 3.34Š|
| 393 | G | 86.6 | Confident | 86 | Confident | 26 Ų | 26 | 54.3 Ų | 54.3 | 27% | 0.268 | 34% | 0.34 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -103 | 159.7 | 172.5 | 0 | 0 | 0 | 0 | 0 | 112.9 | Q389 W390 A391 F395 | Q389-G393 VanDerWaalsContact CA-O 3.29Å; Q389-G393 WeakPolarHBondContact CA-O 3.34Å; W390-G393 PolarHBondContact N-O 2.9Å; W390-G393 PolarHBondContact O-N 2.95Å; A391-G393 VanDerWaalsContact C-N 3.31Å; A391-G393 PolarHBondContact O-N 2.8Å; G393-F395 WeakPolarHBondContact O-CD2 3.45Å |
| 394 | T | 91.5 | Very high | 84.9 | Confident | 16 Ų | 16 | 52.6 Ų | 52.6 | 10% | 0.098 | 34% | 0.341 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.1 | 127.1 | 173.1 | -52.6 | 0 | 0 | 0 | 0 | 109.5 | I372 V387 | I372-T394 HydrophobicContact CD1-CG2 3.99Å; I372-T394 HydrophobicContact CG1-CG2 3.76Å; I372-T394 PolarHBondContact N-O 2.86Å; V387-T394 HydrophobicContact CG1-CG2 3.47Å; V387-T394 VanDerWaalsContact CG1-CG2 3.47Å |
| 395 | F | 92.2 | Very high | 83.8 | Confident | 6 Ų | 6 | 53.1 Ų | 53.1 | 3% | 0.026 | 33% | 0.327 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.7 | 137.4 | -177.5 | -65.8 | -96.2 | 0 | 0 | 0 | 111.3 | K370 S371 V387 I388 W390 G393 V487 F501 | K370-F395 VanDerWaalsContact C-CD1 3.46Å; K370-F395 CarbonylContact O-C 3.53Å; K370-F395 VanDerWaalsContact O-CA 3.24Å; K370-F395 WeakPolarHBondContact O-CA 3.24Å; S371-F395 VanDerWaalsContact N-CD1 3.3Å; V387-F395 CarbonylContact C-O 3.54Å; V387-F395 WeakPolarHBondContact CA-O 3.45Å; I388-F395 PolarHBondContact N-O 3.02Å; I388-F395 PolarHBondContact O-N 2.93Å; W390-F395 HydrophobicContact CB-CD2 4.05Å; W390-F395 HydrophobicContact CB-CE2 4.31Å; W390-F395 HydrophobicContact CE3-CB 3.94Å; W390-F395 HydrophobicContact CE3-CD2 4.48Å; W390-F395 HydrophobicContact CE3-CG 4.25Å; W390-F395 HydrophobicContact CZ3-CB 4.38Å; W390-F395 WeakPolarHBondContact O-CE2 3.5Å; G393-F395 WeakPolarHBondContact O-CD2 3.45Å; F395-V487 HydrophobicContact CB-CG1 4.5Å; F395-V487 HydrophobicContact CD1-CB 4.15Å; F395-V487 HydrophobicContact CD1-CG1 3.37Å; F395-V487 HydrophobicContact CD2-CG1 4.09Å; F395-V487 HydrophobicContact CE1-CB 3.72Å; F395-V487 HydrophobicContact CE1-CG1 3.45Å; F395-V487 VanDerWaalsContact CE1-CG1 3.45Å; F395-V487 HydrophobicContact CE2-CG1 4.15Å; F395-V487 HydrophobicContact CG-CG1 3.74Å; F395-V487 HydrophobicContact CZ-CB 4.02Å; F395-V487 HydrophobicContact CZ-CG1 3.85Å; F395-F501 HydrophobicContact CZ-CE1 4.28Å |
| 396 | V | 92.3 | Very high | 82.4 | Confident | 6 Ų | 6 | 48.4 Ų | 48.4 | 4% | 0.036 | 31% | 0.312 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -81.9 | 130.6 | 162.7 | 63.5 | 0 | 0 | 0 | 0 | 109 | G369 K370 I372 Y380 R385 | G369-V396 CarbonylContact C-O 3.58Å; G369-V396 WeakPolarHBondContact CA-O 3.35Å; K370-V396 HydrophobicContact CB-CG1 4.08Å; K370-V396 PolarHBondContact N-O 3.21Å; K370-V396 PolarHBondContact O-N 2.79Å; I372-V396 HydrophobicContact CD1-CB 4.49Å; I372-V396 HydrophobicContact CG2-CB 4.1Å; I372-V396 HydrophobicContact CG2-CG1 3.76Å; Y380-V396 HydrophobicContact CD1-CB 3.91Å; Y380-V396 HydrophobicContact CD1-CG1 4.16Å; Y380-V396 HydrophobicContact CD1-CG2 3.61Å; Y380-V396 HydrophobicContact CE1-CB 4.15Å; Y380-V396 HydrophobicContact CE1-CG1 3.86Å; Y380-V396 HydrophobicContact CE1-CG2 4.07Å; Y380-V396 HydrophobicContact CG-CB 4.45Å; Y380-V396 HydrophobicContact CG-CG2 4.39Å; R385-V396 HydrophobicContact CB-CG2 3.89Å |
| 397 | V | 91.6 | Very high | 80.7 | Confident | 23 Ų | 23 | 47.9 Ų | 47.9 | 14% | 0.139 | 31% | 0.312 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -71.7 | 131.4 | 176.6 | -175.1 | 0 | 0 | 0 | 0 | 109.4 | E386 I388 W390 | E386-V397 HydrophobicContact CB-CB 4.15Å; E386-V397 HydrophobicContact CB-CG2 4.06Å; E386-V397 HydrophobicContact CG-CB 4.46Å; E386-V397 HydrophobicContact CG-CG2 3.88Å; E386-V397 PolarHBondContact O-N 2.84Å; I388-V397 HydrophobicContact CB-CG2 4.42Å; I388-V397 HydrophobicContact CD1-CG2 3.5Å; I388-V397 VanDerWaalsContact CD1-CG2 3.5Å; I388-V397 HydrophobicContact CG1-CG2 3.74Å; W390-V397 HydrophobicContact CH2-CG2 3.86Å; W390-V397 HydrophobicContact CZ3-CG2 4.36Å |
| 398 | L | 91.2 | Very high | 78.5 | Confident | 21 Ų | 21 | 52.9 Ų | 52.9 | 11% | 0.11 | 34% | 0.338 | C | S | . | . | P | Polyproline II helix | trans | -80.6 | 143.6 | 177.3 | -63.9 | 179.3 | 0 | 0 | 0 | 110.9 | W368 K370 A460 A462 L473 Y486 | W368-L398 HydrophobicContact CB-CB 4.47Å; W368-L398 HydrophobicContact CB-CD1 4.14Å; W368-L398 PolarHBondContact O-N 3.44Å; K370-L398 HydrophobicContact CB-CD2 4.35Å; L398-A460 HydrophobicContact CD1-CB 4.4Å; L398-A462 HydrophobicContact CB-CB 4.23Å; L398-L473 HydrophobicContact CD1-CD1 3.42Å; L398-L473 VanDerWaalsContact CD1-CD1 3.42Å; L398-Y486 HydrophobicContact CD1-CD1 3.94Å; L398-Y486 HydrophobicContact CD1-CE1 3.99Å |
| 399 | P | 86.8 | Confident | 76.5 | Confident | 79 Ų | 79 | 57.8 Ų | 57.8 | 51% | 0.513 | 36% | 0.355 | S | S | . | . | P | Polyproline II helix | trans | -63.5 | 137.9 | 175.5 | 27.5 | -34.1 | 0 | 0 | 0 | 110.6 | V461 A462 | P399-V461 WeakPolarHBondContact O-CG1 3.43Å; P399-A462 PolarHBondContact O-N 2.88Å |
| 400 | S | 84.7 | Confident | 74.5 | Confident | 74 Ų | 74 | 55.2 Ų | 55.2 | 52% | 0.517 | 35% | 0.346 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.8 | 130.8 | 174.2 | 56.4 | 0 | 0 | 0 | 0 | 111.4 | A462 | S400-A462 CarbonylContact C-O 3.5Å; S400-A462 VanDerWaalsContact CA-O 3.28Å; S400-A462 WeakPolarHBondContact CA-O 3.31Å |
| 401 | V | 83.8 | Confident | 72.3 | Confident | 27 Ų | 27 | 58.2 Ų | 58.2 | 16% | 0.164 | 37% | 0.371 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.4 | 147.5 | 171.1 | -61.2 | 0 | 0 | 0 | 0 | 111.2 | S403 L456 V461 A462 T463 E464 | V401-S403 PolarHBondContact O-N 3.28Å; V401-L456 HydrophobicContact CB-CD2 4.13Å; V401-L456 HydrophobicContact CG1-CD2 3.98Å; V401-L456 HydrophobicContact CG2-CD2 3.87Å; V401-V461 HydrophobicContact CB-CG1 4.27Å; V401-V461 HydrophobicContact CG1-CG1 3.6Å; V401-V461 HydrophobicContact CG2-CG1 3.75Å; V401-A462 PolarHBondContact N-O 3.14Å; V401-T463 CarbonylContact O-C 3.54Å; V401-T463 VanDerWaalsContact O-CA 3.27Å; V401-T463 WeakPolarHBondContact O-CA 3.35Å; V401-E464 PolarHBondContact O-N 2.81Å |
| 402 | S | 77.6 | Confident | 70.2 | Confident | 45 Ų | 45 | 60.5 Ų | 60.5 | 32% | 0.315 | 37% | 0.374 | S | S | . | . | trans | -57.8 | 135.8 | 177.8 | -52.5 | 0 | 0 | 0 | 0 | 112.1 | S404 L405 E464 | S402-S404 PolarHBondContact O-N 3.25Å; S402-L405 WeakPolarHBondContact O-CB 3.49Å; S402-L405 PolarHBondContact O-N 2.82Å; S402-E464 WeakPolarHBondContact CA-OE2 3.46Å; S402-E464 VanDerWaalsContact CB-OE2 3.23Å; S402-E464 WeakPolarHBondContact CB-OE2 3.37Å; S402-E464 PolarHBondContact OG-OE1 3.02Å; S402-E464 PolarHBondContact OG-OE2 2.78Å | ||
| 403 | S | 70.7 | Confident | 68 | Low | 36 Ų | 36 | 62.1 Ų | 62.1 | 25% | 0.252 | 36% | 0.36 | S | S | . | . | H | α-helix | trans | -58.5 | -26.2 | -171.9 | -30.6 | 0 | 0 | 0 | 0 | 112.9 | V401 A406 L407 E464 | V401-S403 PolarHBondContact O-N 3.28Å; S403-A406 PolarHBondContact O-N 2.88Å; S403-L407 WeakPolarHBondContact O-CB 3.33Å; S403-L407 VanDerWaalsContact O-CG 3.3Å; S403-L407 WeakPolarHBondContact O-CG 3.41Å; S403-L407 PolarHBondContact O-N 2.82Å; S403-E464 PolarHBondContact OG-O 2.97Å |
| 404 | S | 61.7 | Low | 65.3 | Low | 85 Ų | 85 | 65.7 Ų | 65.7 | 59% | 0.594 | 38% | 0.378 | S | S | * | . | H | α-helix | trans | -61.9 | -37.8 | 173.2 | 52.4 | 0 | 0 | 0 | 0 | 113.5 | S402 N408 | S402-S404 PolarHBondContact O-N 3.25Å; S404-N408 VanDerWaalsContact O-CB 3.31Å; S404-N408 WeakPolarHBondContact O-CB 3.29Å; S404-N408 PolarHBondContact O-N 2.99Å; S404-N408 VanDerWaalsContact O-N 3.16Å |
| 405 | L | 59.7 | Low | 62.5 | Low | 81 Ų | 81 | 70.9 Ų | 70.9 | 42% | 0.424 | 42% | 0.415 | S | S | . | . | H | α-helix | trans | -70.7 | -37.7 | 177.7 | -67.6 | 169.2 | 0 | 0 | 0 | 111.4 | S402 L456 | S402-L405 WeakPolarHBondContact O-CB 3.49Å; S402-L405 PolarHBondContact O-N 2.82Å; L405-L456 HydrophobicContact CB-CD2 4.13Å |
| 406 | A | 56.3 | Low | 59.6 | Low | 15 Ų | 15 | 76.8 Ų | 76.8 | 12% | 0.124 | 45% | 0.447 | C | S | . | . | H | α-helix | trans | -70.8 | -38.1 | 176.2 | 0 | 0 | 0 | 0 | 0 | 112.9 | S403 T463 V474 | S403-A406 PolarHBondContact O-N 2.88Å; A406-T463 HydrophobicContact CB-CG2 3.46Å; A406-T463 VanDerWaalsContact CB-CG2 3.46Å; A406-V474 HydrophobicContact CB-CG2 4.35Å |
| 407 | L | 52.4 | Low | 56.8 | Low | 80 Ų | 80 | 83.8 Ų | 83.8 | 42% | 0.419 | 49% | 0.485 | S | S | . | . | H | α-helix | trans | -83.7 | -20.7 | -175.5 | -71.8 | 169.8 | 0 | 0 | 0 | 114.7 | S403 Y409 N410 | S403-L407 WeakPolarHBondContact O-CB 3.33Å; S403-L407 VanDerWaalsContact O-CG 3.3Å; S403-L407 WeakPolarHBondContact O-CG 3.41Å; S403-L407 PolarHBondContact O-N 2.82Å; L407-Y409 PolarHBondContact O-N 3.23Å; L407-N410 PolarHBondContact O-N 3.42Å |
| 408 | N | 44.4 | Very low | 53.9 | Low | 128 Ų | 128 | 90.1 Ų | 90.1 | 68% | 0.684 | 52% | 0.517 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -70.9 | 13.7 | -176.9 | -159.4 | 25.4 | 0 | 0 | 0 | 114.7 | S404 | S404-N408 VanDerWaalsContact O-CB 3.31Å; S404-N408 WeakPolarHBondContact O-CB 3.29Å; S404-N408 PolarHBondContact O-N 2.99Å; S404-N408 VanDerWaalsContact O-N 3.16Å |
| 409 | Y | 44.1 | Very low | 51.1 | Low | 146 Ų | 146 | 98.7 Ų | 98.7 | 57% | 0.573 | 55% | 0.554 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -118.5 | -13.9 | 168.4 | -136 | -96.9 | 0 | 0 | 0 | 113.4 | L407 S411 N412 | L407-Y409 PolarHBondContact O-N 3.23Å; Y409-S411 PolarHBondContact O-N 2.88Å; Y409-N412 PolarHBondContact O-N 2.73Å; Y409-N412 VanDerWaalsContact O-N 3.1Å |
| 410 | N | 45.1 | Very low | 48.5 | Very low | 80 Ų | 80 | 101.2 Ų | 101.2 | 43% | 0.428 | 57% | 0.57 | S | S | . | * | G | 310 helix | trans | -66.6 | -18.3 | 178.4 | -85.5 | -0.2 | 0 | 0 | 0 | 113.2 | L407 N412 | L407-N410 PolarHBondContact O-N 3.42Å; N410-N412 PolarHBondContact O-N 3.14Å |
| 411 | S | 41.3 | Very low | 46.2 | Very low | 95 Ų | 95 | 102.9 Ų | 102.9 | 66% | 0.664 | 58% | 0.582 | S | S | * | * | G | 310 helix | trans | -72.6 | -7.2 | 173.5 | 55.6 | 0 | 0 | 0 | 0 | 114.3 | Y409 | Y409-S411 PolarHBondContact O-N 2.88Š|
| 412 | N | 36.8 | Very low | 43.7 | Very low | 115 Ų | 115 | 111.1 Ų | 111.1 | 62% | 0.615 | 62% | 0.615 | S | S | * | * | G | 310 helix | trans | -112.4 | 4.2 | 179 | -74.2 | -10.7 | 0 | 0 | 0 | 113.8 | Y409 N410 | Y409-N412 PolarHBondContact O-N 2.73Å; Y409-N412 VanDerWaalsContact O-N 3.1Å; N410-N412 PolarHBondContact O-N 3.14Å |
| 413 | M | 37.1 | Very low | 41.7 | Very low | 121 Ų | 121 | 117 Ų | 117 | 60% | 0.596 | 64% | 0.642 | S | S | * | * | S | Bend | trans | -87.1 | 126.6 | 169 | -99.9 | -70.5 | -168.2 | 0 | 0 | 109.6 | S415 | M413-S415 PolarHBondContact O-N 3.27Å; M413-S415 VanDerWaalsContact O-N 3.14Å |
| 414 | P | 31.2 | Very low | 39.8 | Very low | 100 Ų | 100 | 121.3 Ų | 121.3 | 65% | 0.649 | 67% | 0.672 | S | S | * | * | trans | -67.2 | 111.5 | 169 | -12.3 | 27.1 | 0 | 0 | 0 | 109 | D416 | P414-D416 PolarHBondContact O-N 2.96Š| ||
| 415 | S | 31.8 | Very low | 38.7 | Very low | 126 Ų | 126 | 121.5 Ų | 121.5 | 88% | 0.881 | 68% | 0.679 | S | S | * | * | trans | -77.6 | 52.6 | 174.7 | 39.2 | 0 | 0 | 0 | 0 | 112.1 | M413 | M413-S415 PolarHBondContact O-N 3.27Å; M413-S415 VanDerWaalsContact O-N 3.14Å | ||
| 416 | D | 31.9 | Very low | 37.7 | Very low | 130 Ų | 130 | 125 Ų | 125 | 70% | 0.695 | 70% | 0.697 | S | S | * | * | trans | -97.4 | 134.1 | 170.2 | -75.7 | -40.6 | 0 | 0 | 0 | 110.1 | P414 | P414-D416 PolarHBondContact O-N 2.96Š| ||
| 417 | N | 31.7 | Very low | 36.7 | Very low | 153 Ų | 153 | 135.2 Ų | 135.2 | 82% | 0.818 | 73% | 0.733 | S | S | * | * | S | Bend | trans | 82.2 | 72.3 | 179 | -43.6 | -59.1 | 0 | 0 | 0 | 117.7 | ||
| 418 | L | 31.7 | Very low | 35.9 | Very low | 156 Ų | 156 | 137.3 Ų | 137.3 | 82% | 0.817 | 75% | 0.751 | S | S | * | * | S | Bend | -161.1 | 38.9 | 127.2 | -133.8 | 77 | 0 | 0 | 0 | 117.9 | |||
| 419 | F | 32.9 | Very low | 35.6 | Very low | 201 Ų | 201 | 136.7 Ų | 136.7 | 88% | 0.882 | 76% | 0.757 | S | S | * | * | trans | -146.9 | 89.7 | 163.8 | -80.7 | -70.7 | 0 | 0 | 0 | 113.2 | S421 | F419-S421 PolarHBondContact O-N 2.81Å; F419-S421 VanDerWaalsContact O-N 3.16Å | ||
| 420 | P | 31.9 | Very low | 35.5 | Very low | 132 Ų | 132 | 134.6 Ų | 134.6 | 86% | 0.857 | 76% | 0.764 | S | S | * | * | trans | -85.4 | 76.9 | 169.8 | 34.1 | -31.9 | 0 | 0 | 0 | 111 | ||||
| 421 | S | 35.1 | Very low | 35.2 | Very low | 109 Ų | 109 | 136.3 Ų | 136.3 | 76% | 0.762 | 78% | 0.782 | S | S | * | * | trans | -81.7 | 120.3 | 165.3 | -72.2 | 0 | 0 | 0 | 0 | 110.1 | F419 L423 | F419-S421 PolarHBondContact O-N 2.81Å; F419-S421 VanDerWaalsContact O-N 3.16Å; S421-L423 PolarHBondContact O-N 3.18Å | ||
| 422 | K | 31.3 | Very low | 35.1 | Very low | 199 Ų | 199 | 136.4 Ų | 136.4 | 87% | 0.865 | 78% | 0.782 | S | S | * | * | S | Bend | trans | -16.5 | 117.6 | 172.5 | -65.8 | 169.1 | 175.2 | 173 | 0 | 116.1 | ||
| 423 | L | 35.9 | Very low | 35.3 | Very low | 169 Ų | 169 | 136 Ų | 136 | 89% | 0.885 | 79% | 0.789 | S | S | * | * | -171.3 | 123.3 | 120.8 | -126.4 | 70.4 | 0 | 0 | 0 | 111.3 | S421 | S421-L423 PolarHBondContact O-N 3.18Š| |||
| 424 | S | 32.5 | Very low | 35.4 | Very low | 126 Ų | 126 | 136 Ų | 136 | 88% | 0.881 | 80% | 0.8 | S | S | * | * | trans | -123.3 | 99.4 | 177 | -51.4 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 425 | A | 37.6 | Very low | 35.6 | Very low | 90 Ų | 90 | 135.1 Ų | 135.1 | 74% | 0.744 | 80% | 0.802 | S | S | * | * | trans | -165.6 | 124 | 163.4 | 0 | 0 | 0 | 0 | 0 | 114 | ||||
| 426 | L | 38.5 | Very low | 35.9 | Very low | 154 Ų | 154 | 137 Ų | 137 | 81% | 0.806 | 80% | 0.801 | S | S | * | * | trans | 80.8 | 88.2 | 145 | -60.2 | 162.3 | 0 | 0 | 0 | 121.7 | ||||
| 427 | R | 36.2 | Very low | 36.2 | Very low | 229 Ų | 229 | 135.7 Ų | 135.7 | 86% | 0.864 | 80% | 0.802 | S | S | * | * | 79.7 | 121.7 | 113.4 | -143.2 | 173.8 | -163.3 | 153.5 | 2.5 | 120.5 | |||||
| 428 | P | 35.2 | Very low | 36.4 | Very low | 125 Ų | 125 | 134 Ų | 134 | 81% | 0.812 | 80% | 0.802 | S | S | * | * | trans | -112.8 | 156.4 | 176.8 | 40.3 | -32.6 | 0 | 0 | 0 | 116 | ||||
| 429 | S | 38.2 | Very low | 36.8 | Very low | 115 Ų | 115 | 132.6 Ų | 132.6 | 80% | 0.804 | 81% | 0.805 | S | S | * | * | trans | -178.1 | 148.3 | 166.8 | 51.3 | 0 | 0 | 0 | 0 | 109.1 | ||||
| 430 | S | 41.2 | Very low | 37.1 | Very low | 102 Ų | 102 | 128.9 Ų | 128.9 | 71% | 0.713 | 80% | 0.804 | S | S | * | * | cis | 178.9 | 161.8 | -14.3 | 47.8 | 0 | 0 | 0 | 0 | 108.8 | ||||
| 431 | S | 40.1 | Very low | 37.4 | Very low | 115 Ų | 115 | 128.1 Ų | 128.1 | 80% | 0.804 | 80% | 0.803 | S | S | * | * | trans | 67.8 | 156.7 | 173.7 | 73.9 | 0 | 0 | 0 | 0 | 116.6 | ||||
| 432 | S | 39 | Very low | 37.4 | Very low | 97 Ų | 97 | 129 Ų | 129 | 68% | 0.678 | 81% | 0.808 | S | S | * | * | cis | -158.9 | 126.2 | 8.3 | 8.1 | 0 | 0 | 0 | 0 | 108.6 | ||||
| 433 | S | 39.6 | Very low | 37.6 | Very low | 107 Ų | 107 | 124.6 Ų | 124.6 | 75% | 0.748 | 80% | 0.803 | S | S | * | * | 74.8 | 138.6 | 90.1 | 74.9 | 0 | 0 | 0 | 0 | 118.8 | |||||
| 434 | S | 39.7 | Very low | 37.5 | Very low | 120 Ų | 120 | 122.7 Ų | 122.7 | 84% | 0.839 | 80% | 0.804 | S | S | * | * | trans | 83.3 | 160.2 | 167.7 | 78.9 | 0 | 0 | 0 | 0 | 119.2 | ||||
| 435 | A | 34.9 | Very low | 37.8 | Very low | 83 Ų | 83 | 121.5 Ų | 121.5 | 69% | 0.686 | 80% | 0.795 | S | S | * | * | -179.2 | 158.2 | -60.6 | 0 | 0 | 0 | 0 | 0 | 111.1 | |||||
| 436 | L | 39 | Very low | 37.6 | Very low | 166 Ų | 166 | 123.3 Ų | 123.3 | 87% | 0.869 | 80% | 0.803 | S | S | * | * | trans | 88.8 | 146.8 | 154.7 | -69.2 | 147.8 | 0 | 0 | 0 | 123.2 | ||||
| 437 | S | 38.4 | Very low | 37.5 | Very low | 102 Ų | 102 | 120.9 Ų | 120.9 | 71% | 0.713 | 80% | 0.799 | S | S | * | * | trans | 77.6 | 81.6 | 152 | 43.8 | 0 | 0 | 0 | 0 | 121.9 | ||||
| 438 | S | 36.4 | Very low | 37.3 | Very low | 117 Ų | 117 | 115.7 Ų | 115.7 | 82% | 0.818 | 80% | 0.797 | S | S | * | * | 14.1 | 127.4 | 120.6 | 59 | 0 | 0 | 0 | 0 | 120.5 | |||||
| 439 | S | 40.1 | Very low | 37.3 | Very low | 126 Ų | 126 | 115 Ų | 115 | 88% | 0.881 | 80% | 0.795 | S | S | * | * | trans | -151.4 | 139 | 130.4 | 48.8 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 440 | S | 37.5 | Very low | 37.1 | Very low | 123 Ų | 123 | 114.8 Ų | 114.8 | 86% | 0.86 | 79% | 0.794 | S | S | * | * | trans | -100.5 | 128.2 | -176.3 | 51.6 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 441 | S | 39.1 | Very low | 36.7 | Very low | 117 Ų | 117 | 115.1 Ų | 115.1 | 82% | 0.818 | 80% | 0.796 | S | S | * | * | trans | -144.4 | 116.2 | 158.5 | 54.8 | 0 | 0 | 0 | 0 | 110 | ||||
| 442 | S | 34.9 | Very low | 36.3 | Very low | 126 Ų | 126 | 116.1 Ų | 116.1 | 88% | 0.881 | 80% | 0.797 | S | S | * | * | trans | -81 | 121.9 | 178.1 | 49.6 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 443 | S | 36.2 | Very low | 36.1 | Very low | 108 Ų | 108 | 115.8 Ų | 115.8 | 76% | 0.755 | 80% | 0.8 | S | S | * | * | trans | -137.9 | 104.2 | 161.6 | 58.1 | 0 | 0 | 0 | 0 | 109.5 | S445 | S443-S445 PolarHBondContact O-N 3.43Š| ||
| 444 | S | 33.8 | Very low | 36.2 | Very low | 129 Ų | 129 | 113.6 Ų | 113.6 | 90% | 0.902 | 79% | 0.789 | S | S | * | * | trans | -69.4 | 114.6 | 175.5 | 49.7 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 445 | S | 39.3 | Very low | 36.6 | Very low | 101 Ų | 101 | 112.5 Ų | 112.5 | 71% | 0.706 | 79% | 0.787 | S | S | * | * | trans | -132.8 | 90.3 | 164 | 59.5 | 0 | 0 | 0 | 0 | 109.3 | S443 S447 | S443-S445 PolarHBondContact O-N 3.43Å; S445-S447 VanDerWaalsContact C-N 3.32Å; S445-S447 PolarHBondContact O-N 3.15Å | ||
| 446 | S | 32.5 | Very low | 37.5 | Very low | 128 Ų | 128 | 109.9 Ų | 109.9 | 90% | 0.895 | 76% | 0.761 | S | S | * | * | trans | -71.3 | 83.7 | 173.5 | 51.4 | 0 | 0 | 0 | 0 | 110.4 | S448 | S446-S448 PolarHBondContact O-N 3.03Š| ||
| 447 | S | 36.2 | Very low | 38.5 | Very low | 103 Ų | 103 | 105.4 Ų | 105.4 | 72% | 0.72 | 74% | 0.742 | S | S | * | * | trans | -86.7 | 102.1 | 169.8 | 55.7 | 0 | 0 | 0 | 0 | 109.7 | S445 S449 | S445-S447 VanDerWaalsContact C-N 3.32Å; S445-S447 PolarHBondContact O-N 3.15Å; S447-S449 PolarHBondContact O-N 2.83Å; S447-S449 VanDerWaalsContact O-N 3.1Å | ||
| 448 | S | 31.7 | Very low | 39.7 | Very low | 120 Ų | 120 | 107.2 Ų | 107.2 | 84% | 0.839 | 74% | 0.743 | S | S | * | * | trans | -62.8 | 102.6 | 177.2 | 50.4 | 0 | 0 | 0 | 0 | 112.2 | S446 | S446-S448 PolarHBondContact O-N 3.03Š| ||
| 449 | S | 35.4 | Very low | 41.6 | Very low | 109 Ų | 109 | 102.1 Ų | 102.1 | 76% | 0.762 | 71% | 0.709 | S | S | * | * | trans | -82.6 | 116 | 161.2 | 48.8 | 0 | 0 | 0 | 0 | 109.2 | S447 S451 | S447-S449 PolarHBondContact O-N 2.83Å; S447-S449 VanDerWaalsContact O-N 3.1Å; S449-S451 PolarHBondContact O-N 2.8Å | ||
| 450 | S | 35.1 | Very low | 43.7 | Very low | 111 Ų | 111 | 96.9 Ų | 96.9 | 78% | 0.776 | 67% | 0.673 | S | S | * | * | trans | -69.3 | 94.2 | -177.2 | 53.9 | 0 | 0 | 0 | 0 | 111.7 | V452 | S450-V452 PolarHBondContact O-N 2.81Š| ||
| 451 | S | 31 | Very low | 46.2 | Very low | 110 Ų | 110 | 91.4 Ų | 91.4 | 77% | 0.769 | 64% | 0.635 | S | S | * | * | trans | -76.6 | 85.5 | 174.6 | 57.8 | 0 | 0 | 0 | 0 | 111.2 | S449 A453 | S449-S451 PolarHBondContact O-N 2.8Å; S451-A453 PolarHBondContact O-N 3.42Å | ||
| 452 | V | 33.4 | Very low | 48.6 | Very low | 135 Ų | 135 | 86 Ų | 86 | 82% | 0.818 | 60% | 0.597 | S | S | * | * | trans | -78.4 | 59.5 | 164.7 | -165.9 | 0 | 0 | 0 | 0 | 109.4 | S450 A454 | S450-V452 PolarHBondContact O-N 2.81Å; V452-A454 PolarHBondContact O-N 3.27Å | ||
| 453 | A | 33.1 | Very low | 51.2 | Low | 90 Ų | 90 | 80.2 Ų | 80.2 | 74% | 0.744 | 56% | 0.557 | S | S | * | * | trans | -76.7 | 81.2 | 165.3 | 0 | 0 | 0 | 0 | 0 | 107.4 | S451 A455 | S451-A453 PolarHBondContact O-N 3.42Å; A453-A455 PolarHBondContact O-N 3.37Å | ||
| 454 | A | 41.6 | Very low | 53.5 | Low | 62 Ų | 62 | 79.1 Ų | 79.1 | 51% | 0.512 | 54% | 0.54 | S | S | . | . | trans | -58.2 | 111.3 | 175.1 | 0 | 0 | 0 | 0 | 0 | 108.6 | V452 L456 | V452-A454 PolarHBondContact O-N 3.27Å; A454-L456 PolarHBondContact O-N 3Å | ||
| 455 | A | 47.8 | Very low | 55.8 | Low | 97 Ų | 97 | 76 Ų | 76 | 80% | 0.802 | 52% | 0.515 | S | S | * | . | trans | -64.5 | 107.6 | 178.4 | 0 | 0 | 0 | 0 | 0 | 108.7 | A453 | A453-A455 PolarHBondContact O-N 3.37Š| ||
| 456 | L | 54.2 | Low | 57.7 | Low | 28 Ų | 28 | 72.9 Ų | 72.9 | 15% | 0.147 | 49% | 0.493 | C | S | . | . | P | Polyproline II helix | trans | -52.4 | 140.7 | 167.8 | -72 | 166.5 | 0 | 0 | 0 | 109 | V401 L405 A454 | V401-L456 HydrophobicContact CB-CD2 4.13Å; V401-L456 HydrophobicContact CG1-CD2 3.98Å; V401-L456 HydrophobicContact CG2-CD2 3.87Å; L405-L456 HydrophobicContact CB-CD2 4.13Å; A454-L456 PolarHBondContact O-N 3Å |
| 457 | P | 61 | Low | 59.6 | Low | 72 Ų | 72 | 73.2 Ų | 73.2 | 47% | 0.468 | 50% | 0.495 | S | S | . | . | P | Polyproline II helix | trans | -51.8 | 142 | 174.9 | -24.4 | 33 | 0 | 0 | 0 | 111.5 | V461 | P457-V461 HydrophobicContact CB-CG2 4.2Å; P457-V461 HydrophobicContact CG-CG2 4.36Å |
| 458 | L | 63.8 | Low | 61.4 | Low | 139 Ų | 139 | 71.5 Ų | 71.5 | 73% | 0.728 | 48% | 0.483 | S | S | * | . | S | Bend | trans | -68.5 | 142.8 | 165.8 | -75.5 | 86.5 | 0 | 0 | 0 | 109.1 | ||
| 459 | G | 75.5 | Confident | 63.9 | Low | 10 Ų | 10 | 66.9 Ų | 66.9 | 10% | 0.103 | 45% | 0.449 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 103.8 | -158.9 | -176.8 | 0 | 0 | 0 | 0 | 0 | 113.9 | R476 D482 | G459-R476 PolarHBondContact N-O 3.5Å; G459-R476 PolarHBondContact O-N 3.41Å; G459-R476 VanDerWaalsContact O-N 3.15Å; G459-D482 WeakPolarHBondContact CA-OD1 3.45Å |
| 460 | A | 85 | Confident | 66.3 | Low | 16 Ų | 16 | 62.1 Ų | 62.1 | 13% | 0.132 | 42% | 0.415 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.4 | 126 | -177.2 | 0 | 0 | 0 | 0 | 0 | 113.6 | L398 L473 L475 D482 Y486 | L398-A460 HydrophobicContact CD1-CB 4.4Å; A460-L473 HydrophobicContact CB-CD1 4.24Å; A460-L475 HydrophobicContact CB-CD1 3.9Å; A460-L475 HydrophobicContact CB-CG 3.96Å; A460-D482 PolarHBondContact N-OD1 2.86Å; A460-Y486 HydrophobicContact CB-CE1 3.75Å |
| 461 | V | 89.1 | Confident | 69 | Low | 8 Ų | 8 | 57 Ų | 57 | 5% | 0.048 | 38% | 0.379 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.7 | 144.9 | -178.3 | -177.5 | 0 | 0 | 0 | 0 | 109.9 | P399 V401 P457 V474 | P399-V461 WeakPolarHBondContact O-CG1 3.43Å; V401-V461 HydrophobicContact CB-CG1 4.27Å; V401-V461 HydrophobicContact CG1-CG1 3.6Å; V401-V461 HydrophobicContact CG2-CG1 3.75Å; P457-V461 HydrophobicContact CB-CG2 4.2Å; P457-V461 HydrophobicContact CG-CG2 4.36Å; V461-V474 PolarHBondContact N-O 2.01Å; V461-V474 PolarHBondContact O-N 3.01Å |
| 462 | A | 90.7 | Very high | 71.9 | Confident | 4 Ų | 4 | 53.5 Ų | 53.5 | 3% | 0.033 | 35% | 0.351 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -94 | 152.1 | 175.4 | 0 | 0 | 0 | 0 | 0 | 111.3 | W368 L398 P399 S400 V401 Q472 | W368-A462 HydrophobicContact CB-CB 4Å; W368-A462 HydrophobicContact CG-CB 4.16Å; L398-A462 HydrophobicContact CB-CB 4.23Å; P399-A462 PolarHBondContact O-N 2.88Å; S400-A462 CarbonylContact C-O 3.5Å; S400-A462 VanDerWaalsContact CA-O 3.28Å; S400-A462 WeakPolarHBondContact CA-O 3.31Å; V401-A462 PolarHBondContact N-O 3.14Å; A462-Q472 CarbonylContact C-O 3.6Å; A462-Q472 WeakPolarHBondContact CA-O 3.48Å |
| 463 | T | 88.4 | Confident | 74.7 | Confident | 5 Ų | 5 | 47 Ų | 47 | 3% | 0.031 | 31% | 0.312 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.6 | 146.5 | 167.4 | 60 | 0 | 0 | 0 | 0 | 112 | V401 A406 S471 Q472 V474 | V401-T463 CarbonylContact O-C 3.54Å; V401-T463 VanDerWaalsContact O-CA 3.27Å; V401-T463 WeakPolarHBondContact O-CA 3.35Å; A406-T463 HydrophobicContact CB-CG2 3.46Å; A406-T463 VanDerWaalsContact CB-CG2 3.46Å; T463-S471 PolarHBondContact O-OG 3.36Å; T463-Q472 HydrophobicContact CG2-CB 4.26Å; T463-Q472 PolarHBondContact N-O 2.77Å; T463-Q472 WeakPolarHBondContact OG1-CA 3.46Å; T463-Q472 WeakPolarHBondContact OG1-CB 3.06Å; T463-Q472 PolarHBondContact OG1-N 3Å; T463-Q472 PolarHBondContact OG1-O 3.04Å; T463-V474 HydrophobicContact CG2-CG2 4.12Å |
| 464 | E | 85.3 | Confident | 77.5 | Confident | 85 Ų | 85 | 43.5 Ų | 43.5 | 40% | 0.397 | 28% | 0.281 | S | S | . | . | P | Polyproline II helix | trans | -54.9 | 146.5 | 170.4 | -72.2 | 174.3 | 167.2 | 0 | 0 | 111.3 | V401 S402 S403 S466 | V401-E464 PolarHBondContact O-N 2.81Å; S402-E464 WeakPolarHBondContact CA-OE2 3.46Å; S402-E464 VanDerWaalsContact CB-OE2 3.23Å; S402-E464 WeakPolarHBondContact CB-OE2 3.37Å; S402-E464 PolarHBondContact OG-OE1 3.02Å; S402-E464 PolarHBondContact OG-OE2 2.78Å; S403-E464 PolarHBondContact OG-O 2.97Å; E464-S466 PolarHBondContact O-N 3.4Å |
| 465 | V | 82 | Confident | 79.9 | Confident | 63 Ų | 63 | 40.5 Ų | 40.5 | 38% | 0.382 | 26% | 0.256 | S | S | . | . | P | Polyproline II helix | trans | -66.6 | 116.8 | -178.2 | -168.9 | 0 | 0 | 0 | 0 | 109.7 | I366 | I366-V465 HydrophobicContact CB-CG1 4.48Å; I366-V465 HydrophobicContact CB-CG2 3.82Å; I366-V465 HydrophobicContact CD1-CG1 4.05Å; I366-V465 HydrophobicContact CG1-CG1 4.18Å; I366-V465 HydrophobicContact CG1-CG2 4.36Å |
| 466 | S | 79.2 | Confident | 81.7 | Confident | 36 Ų | 36 | 39 Ų | 39 | 25% | 0.252 | 23% | 0.23 | S | C | . | . | P | Polyproline II helix | trans | -67.1 | 161.1 | 176 | 56.8 | 0 | 0 | 0 | 0 | 112.3 | E464 S468 Q469 S470 | E464-S466 PolarHBondContact O-N 3.4Å; S466-S468 PolarHBondContact O-N 2.96Å; S466-S468 VanDerWaalsContact O-N 3.09Å; S466-S468 PolarHBondContact OG-OG 2.9Å; S466-Q469 PolarHBondContact O-N 2.83Å; S466-S470 WeakPolarHBondContact CB-O 3.38Å; S466-S470 PolarHBondContact N-O 2.79Å; S466-S470 WeakPolarHBondContact OG-CA 3.36Å; S466-S470 WeakPolarHBondContact OG-CB 3.49Å; S466-S470 PolarHBondContact OG-N 2.85Å; S466-S470 VanDerWaalsContact OG-N 3.11Å; S466-S470 PolarHBondContact OG-O 3.41Å |
| 467 | S | 73 | Confident | 83.1 | Confident | 134 Ų | 134 | 43.2 Ų | 43.2 | 94% | 0.937 | 25% | 0.249 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -59.2 | -19.7 | 175.4 | 52.7 | 0 | 0 | 0 | 0 | 114.1 | Q469 | S467-Q469 VanDerWaalsContact C-N 3.3Š|
| 468 | S | 73.4 | Confident | 84.4 | Confident | 67 Ų | 67 | 39.9 Ų | 39.9 | 47% | 0.469 | 23% | 0.227 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -89.9 | 20.7 | 172.6 | 55.3 | 0 | 0 | 0 | 0 | 113.6 | S466 S470 | S466-S468 PolarHBondContact O-N 2.96Å; S466-S468 VanDerWaalsContact O-N 3.09Å; S466-S468 PolarHBondContact OG-OG 2.9Å; S468-S470 VanDerWaalsContact C-N 3.31Å; S468-S470 PolarHBondContact O-N 2.91Å |
| 469 | Q | 83.4 | Confident | 85.6 | Confident | 24 Ų | 24 | 35.1 Ų | 35.1 | 11% | 0.112 | 21% | 0.206 | C | C | . | . | S | Bend | trans | 50.4 | 46.4 | -178.3 | -57.9 | -167.1 | 56.2 | 0 | 0 | 113.4 | V356 H361 S364 I366 S466 S467 | V356-Q469 HydrophobicContact CB-CB 4.18Å; V356-Q469 PolarHBondContact N-O 2.86Å; H361-Q469 PolarHBondContact O-NE2 2.92Å; S364-Q469 VanDerWaalsContact CB-OE1 3.23Å; S364-Q469 PolarHBondContact OG-OE1 2.98Å; I366-Q469 VanDerWaalsContact CD1-O 3.24Å; I366-Q469 WeakPolarHBondContact CD1-O 3.22Å; S466-Q469 PolarHBondContact O-N 2.83Å; S467-Q469 VanDerWaalsContact C-N 3.3Å |
| 470 | S | 87.1 | Confident | 86.2 | Confident | 9 Ų | 9 | 40.1 Ų | 40.1 | 6% | 0.063 | 23% | 0.226 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.8 | 140 | 173.6 | -177.3 | 0 | 0 | 0 | 0 | 111.9 | C354 S466 S468 | C354-S470 CarbonylContact O-C 3.47Å; C354-S470 VanDerWaalsContact O-CA 3.28Å; C354-S470 WeakPolarHBondContact O-CA 3.25Å; C354-S470 PolarHBondContact O-OG 3.03Å; S466-S470 WeakPolarHBondContact CB-O 3.38Å; S466-S470 PolarHBondContact N-O 2.79Å; S466-S470 WeakPolarHBondContact OG-CA 3.36Å; S466-S470 WeakPolarHBondContact OG-CB 3.49Å; S466-S470 PolarHBondContact OG-N 2.85Å; S466-S470 VanDerWaalsContact OG-N 3.11Å; S466-S470 PolarHBondContact OG-O 3.41Å; S468-S470 VanDerWaalsContact C-N 3.31Å; S468-S470 PolarHBondContact O-N 2.91Å |
| 471 | S | 90.5 | Very high | 86.2 | Confident | 2 Ų | 2 | 43.5 Ų | 43.5 | 1% | 0.014 | 25% | 0.249 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.1 | 150.5 | 171.3 | 173.5 | 0 | 0 | 0 | 0 | 109.5 | C354 W368 T463 | C354-S471 PolarHBondContact N-O 3.43Å; C354-S471 PolarHBondContact O-N 3.2Å; W368-S471 PolarHBondContact NE1-OG 3.39Å; T463-S471 PolarHBondContact O-OG 3.36Å |
| 472 | Q | 92 | Very high | 86.3 | Confident | 37 Ų | 37 | 43.8 Ų | 43.8 | 17% | 0.173 | 25% | 0.25 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.6 | 134.1 | -175 | -52 | 178.3 | 1 | 0 | 0 | 109.8 | I351 F352 H353 A462 T463 V474 | I351-Q472 HydrophobicContact CG2-CB 4.07Å; F352-Q472 CarbonylContact O-C 3.6Å; F352-Q472 VanDerWaalsContact O-CA 3.31Å; F352-Q472 WeakPolarHBondContact O-CA 3.25Å; H353-Q472 PolarHBondContact CE1-NE2 3.5Å; A462-Q472 CarbonylContact C-O 3.6Å; A462-Q472 WeakPolarHBondContact CA-O 3.48Å; T463-Q472 HydrophobicContact CG2-CB 4.26Å; T463-Q472 PolarHBondContact N-O 2.77Å; T463-Q472 WeakPolarHBondContact OG1-CA 3.46Å; T463-Q472 WeakPolarHBondContact OG1-CB 3.06Å; T463-Q472 PolarHBondContact OG1-N 3Å; T463-Q472 PolarHBondContact OG1-O 3.04Å; Q472-V474 HydrophobicContact CB-CG2 4.49Å |
| 473 | L | 93.1 | Very high | 86.3 | Confident | 0 Ų | 0 | 45.1 Ų | 45.1 | 0% | 0 | 26% | 0.259 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.7 | 121.4 | 165 | 171.5 | 62.6 | 0 | 0 | 0 | 108.1 | I351 F352 W368 L398 A460 L475 Y486 I504 | I351-L473 CarbonylContact C-O 3.51Å; I351-L473 VanDerWaalsContact CA-O 3.32Å; I351-L473 WeakPolarHBondContact CA-O 3.35Å; F352-L473 HydrophobicContact CB-CB 4.29Å; F352-L473 HydrophobicContact CD2-CB 4.48Å; F352-L473 HydrophobicContact CD2-CD2 4Å; F352-L473 HydrophobicContact CD2-CG 4.2Å; F352-L473 PolarHBondContact N-O 2.84Å; F352-L473 PolarHBondContact O-N 2.86Å; W368-L473 HydrophobicContact CD2-CB 3.75Å; W368-L473 HydrophobicContact CE3-CB 3.76Å; W368-L473 HydrophobicContact CE3-CD2 3.93Å; W368-L473 HydrophobicContact CE3-CG 4.37Å; W368-L473 HydrophobicContact CG-CB 4.41Å; W368-L473 HydrophobicContact CH2-CB 3.8Å; W368-L473 HydrophobicContact CZ2-CB 3.8Å; W368-L473 HydrophobicContact CZ3-CB 3.79Å; W368-L473 HydrophobicContact CZ3-CD2 3.9Å; W368-L473 HydrophobicContact CZ3-CG 4.5Å; L398-L473 HydrophobicContact CD1-CD1 3.42Å; L398-L473 VanDerWaalsContact CD1-CD1 3.42Å; A460-L473 HydrophobicContact CB-CD1 4.24Å; L473-L475 HydrophobicContact CD1-CD1 3.97Å; L473-L475 HydrophobicContact CD2-CD1 4.05Å; L473-L475 HydrophobicContact CG-CD1 3.71Å; L473-Y486 HydrophobicContact CD1-CD1 4.22Å; L473-Y486 HydrophobicContact CD1-CE1 4.41Å; L473-Y486 HydrophobicContact CD2-CD1 3.66Å; L473-Y486 HydrophobicContact CD2-CD2 4.47Å; L473-Y486 HydrophobicContact CD2-CE1 4.34Å; L473-Y486 HydrophobicContact CD2-CG 3.72Å; L473-I504 HydrophobicContact CD2-CD1 4.3Å |
| 474 | V | 91.8 | Very high | 86.5 | Confident | 15 Ų | 15 | 45.8 Ų | 45.8 | 9% | 0.091 | 27% | 0.267 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.5 | 119.1 | 179.5 | -177 | 0 | 0 | 0 | 0 | 108.7 | I351 A406 V461 T463 Q472 R476 | I351-V474 HydrophobicContact CG1-CG1 4.42Å; I351-V474 HydrophobicContact CG1-CG2 4.38Å; I351-V474 HydrophobicContact CG2-CG2 4.45Å; A406-V474 HydrophobicContact CB-CG2 4.35Å; V461-V474 PolarHBondContact N-O 2.01Å; V461-V474 PolarHBondContact O-N 3.01Å; T463-V474 HydrophobicContact CG2-CG2 4.12Å; Q472-V474 HydrophobicContact CB-CG2 4.49Å; V474-R476 HydrophobicContact CG1-CG 3.98Å |
| 475 | L | 90.7 | Very high | 86.9 | Confident | 0 Ų | 0 | 47.8 Ų | 47.8 | 0% | 0 | 27% | 0.271 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.8 | 126.1 | 167.9 | -82.5 | 67.4 | 0 | 0 | 0 | 107.9 | D349 A350 F352 A460 L473 D482 I504 | D349-L475 CarbonylContact C-O 3.59Å; D349-L475 VanDerWaalsContact CA-O 3.27Å; D349-L475 WeakPolarHBondContact CA-O 3.34Å; A350-L475 HydrophobicContact CB-CB 4.41Å; A350-L475 PolarHBondContact N-O 2.78Å; A350-L475 PolarHBondContact O-N 3.27Å; F352-L475 HydrophobicContact CD2-CD1 4.44Å; F352-L475 HydrophobicContact CE2-CD1 4.21Å; A460-L475 HydrophobicContact CB-CD1 3.9Å; A460-L475 HydrophobicContact CB-CG 3.96Å; L473-L475 HydrophobicContact CD1-CD1 3.97Å; L473-L475 HydrophobicContact CD2-CD1 4.05Å; L473-L475 HydrophobicContact CG-CD1 3.71Å; L475-D482 HydrophobicContact CD2-CB 3.93Å; L475-I504 HydrophobicContact CD1-CD1 3.78Å; L475-I504 HydrophobicContact CD2-CD1 3.63Å; L475-I504 HydrophobicContact CD2-CG2 4.03Å; L475-I504 HydrophobicContact CG-CD1 4.38Å |
| 476 | R | 86.2 | Confident | 87.5 | Confident | 64 Ų | 64 | 44.9 Ų | 44.9 | 24% | 0.242 | 25% | 0.253 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.8 | 129.5 | 174.8 | -58.3 | -165 | 72.3 | -155.4 | 5.4 | 111.1 | D349 G459 V474 | D349-R476 VanDerWaalsContact OD1-CA 3.31Å; D349-R476 WeakPolarHBondContact OD1-CA 3.46Å; D349-R476 IonicContact OD2-NE 3.77Å; G459-R476 PolarHBondContact N-O 3.5Å; G459-R476 PolarHBondContact O-N 3.41Å; G459-R476 VanDerWaalsContact O-N 3.15Å; V474-R476 HydrophobicContact CG1-CG 3.98Å |
| 477 | Q | 84.9 | Confident | 88.2 | Confident | 118 Ų | 118 | 43.1 Ų | 43.1 | 55% | 0.551 | 24% | 0.241 | S | C | * | . | S | Bend | trans | 48.6 | 60.7 | -176.8 | -62.9 | -177 | -9.5 | 0 | 0 | 112.1 | D349 S479 | D349-Q477 PolarHBondContact OD1-N 3.49Å; Q477-S479 PolarHBondContact O-N 2.9Å; Q477-S479 VanDerWaalsContact O-N 3.17Å |
| 478 | A | 87.8 | Confident | 89.2 | Confident | 1 Ų | 1 | 36.8 Ų | 36.8 | 1% | 0.008 | 20% | 0.197 | C | C | . | . | trans | -45.5 | 120.9 | -170.2 | 0 | 0 | 0 | 0 | 0 | 112.5 | V344 A346 G347 Q348 V506 | V344-A478 HydrophobicContact CB-CB 4.43Å; V344-A478 HydrophobicContact CG1-CB 3.65Å; A346-A478 CarbonylContact C-O 3.52Å; A346-A478 WeakPolarHBondContact CA-O 3.48Å; G347-A478 PolarHBondContact N-O 2.69Å; Q348-A478 WeakPolarHBondContact O-CB 3.46Å; Q348-A478 PolarHBondContact O-N 3.46Å; A478-V506 HydrophobicContact CB-CG1 4.2Å; A478-V506 HydrophobicContact CB-CG2 4.11Å | ||
| 479 | S | 88.6 | Confident | 90.2 | Very high | 40 Ų | 40 | 34 Ų | 34 | 28% | 0.28 | 18% | 0.177 | S | C | . | . | trans | -100.7 | 161.5 | 179.3 | 70.5 | 0 | 0 | 0 | 0 | 110.6 | Q477 S481 D482 V506 | Q477-S479 PolarHBondContact O-N 2.9Å; Q477-S479 VanDerWaalsContact O-N 3.17Å; S479-S481 PolarHBondContact O-N 2.77Å; S479-S481 VanDerWaalsContact O-N 3.13Å; S479-S481 PolarHBondContact OG-OG 3.35Å; S479-D482 WeakPolarHBondContact CB-OD2 3.26Å; S479-D482 PolarHBondContact N-OD2 3Å; S479-D482 WeakPolarHBondContact O-CB 3.42Å; S479-D482 PolarHBondContact O-N 3.1Å; S479-D482 PolarHBondContact OG-N 2.92Å; S479-D482 PolarHBondContact OG-OD2 3.41Å; S479-V506 WeakPolarHBondContact O-CG2 3.41Å | ||
| 480 | Q | 87.2 | Confident | 90.6 | Very high | 114 Ų | 114 | 32.9 Ų | 32.9 | 53% | 0.533 | 17% | 0.172 | S | C | . | . | G | 310 helix | trans | -56.4 | -33.8 | 174.9 | -167 | 67.7 | 77.8 | 0 | 0 | 111.6 | D482 S483 V506 | Q480-D482 VanDerWaalsContact C-N 3.28Å; Q480-D482 PolarHBondContact O-N 2.84Å; Q480-S483 PolarHBondContact NE2-OG 2.89Å; Q480-S483 VanDerWaalsContact NE2-OG 3.12Å; Q480-S483 VanDerWaalsContact O-CB 3.26Å; Q480-S483 WeakPolarHBondContact O-CB 3.04Å; Q480-S483 PolarHBondContact O-N 2.8Å; Q480-S483 VanDerWaalsContact O-N 3.16Å; Q480-S483 PolarHBondContact O-OG 2.95Å; Q480-V506 PolarHBondContact NE2-O 3.28Å |
| 481 | S | 86.2 | Confident | 90.6 | Very high | 88 Ų | 88 | 36.4 Ų | 36.4 | 62% | 0.615 | 19% | 0.19 | S | C | * | . | G | 310 helix | trans | -64 | -21.1 | 173.5 | 26.4 | 0 | 0 | 0 | 0 | 114.8 | K370 S479 S483 | K370-S481 PolarHBondContact NZ-O 2.53Å; S479-S481 PolarHBondContact O-N 2.77Å; S479-S481 VanDerWaalsContact O-N 3.13Å; S479-S481 PolarHBondContact OG-OG 3.35Å; S481-S483 PolarHBondContact O-N 2.89Å |
| 482 | D | 90 | Very high | 90.4 | Very high | 13 Ų | 13 | 36.7 Ų | 36.7 | 7% | 0.07 | 19% | 0.191 | C | C | . | . | G | 310 helix | trans | -80.7 | -3.9 | 174.2 | -62.3 | -61 | 0 | 0 | 0 | 113 | G459 A460 L475 S479 Q480 Y486 V506 | G459-D482 WeakPolarHBondContact CA-OD1 3.45Å; A460-D482 PolarHBondContact N-OD1 2.86Å; L475-D482 HydrophobicContact CD2-CB 3.93Å; S479-D482 WeakPolarHBondContact CB-OD2 3.26Å; S479-D482 PolarHBondContact N-OD2 3Å; S479-D482 WeakPolarHBondContact O-CB 3.42Å; S479-D482 PolarHBondContact O-N 3.1Å; S479-D482 PolarHBondContact OG-N 2.92Å; S479-D482 PolarHBondContact OG-OD2 3.41Å; Q480-D482 VanDerWaalsContact C-N 3.28Å; Q480-D482 PolarHBondContact O-N 2.84Å; D482-Y486 WeakPolarHBondContact O-CE2 2.98Å; D482-Y486 PolarHBondContact O-OH 3.32Å; D482-V506 HydrophobicContact CB-CG2 4.42Å |
| 483 | S | 91.1 | Very high | 89.9 | Confident | 33 Ų | 33 | 40.2 Ų | 40.2 | 23% | 0.231 | 21% | 0.208 | C | C | . | . | trans | -64.1 | 146.7 | 168.8 | -54.8 | 0 | 0 | 0 | 0 | 110.7 | Q480 S481 I504 V506 | Q480-S483 PolarHBondContact NE2-OG 2.89Å; Q480-S483 VanDerWaalsContact NE2-OG 3.12Å; Q480-S483 VanDerWaalsContact O-CB 3.26Å; Q480-S483 WeakPolarHBondContact O-CB 3.04Å; Q480-S483 PolarHBondContact O-N 2.8Å; Q480-S483 VanDerWaalsContact O-N 3.16Å; Q480-S483 PolarHBondContact O-OG 2.95Å; S481-S483 PolarHBondContact O-N 2.89Å; S483-I504 WeakPolarHBondContact CA-O 3.11Å; S483-V506 WeakPolarHBondContact OG-CB 3.3Å; S483-V506 PolarHBondContact OG-N 3.23Å | ||
| 484 | G | 92.5 | Very high | 89.2 | Confident | 19 Ų | 19 | 43 Ų | 43 | 20% | 0.196 | 23% | 0.231 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 148 | -173.8 | 178 | 0 | 0 | 0 | 0 | 0 | 113.4 | Q503 I504 | G484-Q503 PolarHBondContact O-NE2 2.99Å; G484-I504 PolarHBondContact N-O 2.87Å; G484-I504 PolarHBondContact O-N 3.03Å |
| 485 | R | 94 | Very high | 88.7 | Confident | 127 Ų | 127 | 45 Ų | 45 | 48% | 0.479 | 25% | 0.254 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.9 | 128.7 | 172.4 | -172.3 | 178.7 | -64 | 175.8 | 1.7 | 109.7 | S371 F501 | S371-R485 WeakPolarHBondContact CB-O 3.15Å; S371-R485 PolarHBondContact N-O 3.01Å; S371-R485 PolarHBondContact OG-N 2.89Å; S371-R485 PolarHBondContact OG-O 3.03Å; S371-R485 VanDerWaalsContact OG-O 3.1Å; R485-F501 HydrophobicContact CG-CD1 4.38Å |
| 486 | Y | 94.8 | Very high | 88.5 | Confident | 1 Ų | 1 | 48.2 Ų | 48.2 | 0% | 0.004 | 27% | 0.266 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.8 | 151.8 | 171.6 | -65.5 | -100.1 | 0 | 0 | 0 | 109.1 | G369 K370 L398 A460 L473 D482 F501 V502 I504 | G369-Y486 CarbonylContact O-C 3.55Å; G369-Y486 VanDerWaalsContact O-CA 3.28Å; G369-Y486 WeakPolarHBondContact O-CA 3.4Å; K370-Y486 HydrophobicContact CB-CD1 3.96Å; K370-Y486 HydrophobicContact CB-CE1 3.76Å; K370-Y486 HydrophobicContact CD-CE1 3.91Å; K370-Y486 HydrophobicContact CD-CE2 4.48Å; K370-Y486 WeakPolarHBondContact CD-OH 3.38Å; K370-Y486 WeakPolarHBondContact CE-OH 3.32Å; K370-Y486 HydrophobicContact CG-CD1 4.16Å; K370-Y486 HydrophobicContact CG-CE1 3.74Å; K370-Y486 HydrophobicContact CG-CE2 4.28Å; L398-Y486 HydrophobicContact CD1-CD1 3.94Å; L398-Y486 HydrophobicContact CD1-CE1 3.99Å; A460-Y486 HydrophobicContact CB-CE1 3.75Å; L473-Y486 HydrophobicContact CD1-CD1 4.22Å; L473-Y486 HydrophobicContact CD1-CE1 4.41Å; L473-Y486 HydrophobicContact CD2-CD1 3.66Å; L473-Y486 HydrophobicContact CD2-CD2 4.47Å; L473-Y486 HydrophobicContact CD2-CE1 4.34Å; L473-Y486 HydrophobicContact CD2-CG 3.72Å; D482-Y486 WeakPolarHBondContact O-CE2 2.98Å; D482-Y486 PolarHBondContact O-OH 3.32Å; Y486-F501 CarbonylContact O-C 3.49Å; Y486-F501 WeakPolarHBondContact O-CA 3.16Å; Y486-V502 PolarHBondContact N-O 2.99Å; Y486-V502 PolarHBondContact O-N 3.4Å; Y486-I504 HydrophobicContact CD2-CB 4.38Å; Y486-I504 HydrophobicContact CD2-CD1 3.6Å; Y486-I504 HydrophobicContact CD2-CG1 3.89Å; Y486-I504 HydrophobicContact CE2-CB 4.23Å; Y486-I504 HydrophobicContact CE2-CD1 3.67Å; Y486-I504 HydrophobicContact CE2-CG1 4.13Å; Y486-I504 HydrophobicContact CG-CD1 4.35Å |
| 487 | V | 94.6 | Very high | 88.5 | Confident | 0 Ų | 0 | 49.8 Ų | 49.8 | 0% | 0 | 28% | 0.28 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.4 | 133.5 | 172.5 | 70.2 | 0 | 0 | 0 | 0 | 109.1 | W368 G369 W390 F395 H499 K500 F501 | W368-V487 CarbonylContact C-O 3.57Å; W368-V487 VanDerWaalsContact CA-O 3.28Å; W368-V487 WeakPolarHBondContact CA-O 3.2Å; G369-V487 PolarHBondContact N-O 2.9Å; G369-V487 PolarHBondContact O-N 3.46Å; W390-V487 HydrophobicContact CD2-CG1 4.46Å; W390-V487 HydrophobicContact CE3-CG1 3.56Å; W390-V487 HydrophobicContact CZ3-CG1 4.18Å; F395-V487 HydrophobicContact CB-CG1 4.5Å; F395-V487 HydrophobicContact CD1-CB 4.15Å; F395-V487 HydrophobicContact CD1-CG1 3.37Å; F395-V487 HydrophobicContact CD2-CG1 4.09Å; F395-V487 HydrophobicContact CE1-CB 3.72Å; F395-V487 HydrophobicContact CE1-CG1 3.45Å; F395-V487 VanDerWaalsContact CE1-CG1 3.45Å; F395-V487 HydrophobicContact CE2-CG1 4.15Å; F395-V487 HydrophobicContact CG-CG1 3.74Å; F395-V487 HydrophobicContact CZ-CB 4.02Å; F395-V487 HydrophobicContact CZ-CG1 3.85Å; V487-H499 HydrophobicContact CG2-CB 4.04Å; V487-K500 CarbonylContact C-O 3.42Å; V487-K500 WeakPolarHBondContact CA-O 3.45Å; V487-F501 HydrophobicContact CB-CD1 4Å; V487-F501 HydrophobicContact CB-CE1 4.06Å; V487-F501 HydrophobicContact CG2-CD1 3.79Å; V487-F501 HydrophobicContact CG2-CE1 3.58Å; V487-F501 HydrophobicContact CG2-CZ 4.24Å |
| 488 | C | 94.4 | Very high | 88.8 | Confident | 0 Ų | 0 | 45.3 Ų | 45.3 | 0% | 0 | 26% | 0.26 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -91 | 120.1 | 155.6 | 175.4 | 0 | 0 | 0 | 0 | 107.2 | C354 I366 R367 W368 H499 K500 | C354-C488 HydrophobicContact CB-CB 3.67Å; C354-C488 WeakPolarHBondContact CB-SG 3.48Å; C354-C488 WeakPolarHBondContact SG-CB 3.33Å; C354-C488 CovalentContact SG-SG 2.03Å; C354-C488 PolarHBondContact SG-SG 2.74Å; I366-C488 WeakPolarHBondContact CG2-SG 3.48Å; R367-C488 CarbonylContact O-C 3.57Å; R367-C488 WeakPolarHBondContact O-CA 3.31Å; W368-C488 HydrophobicContact CD2-CB 3.91Å; W368-C488 HydrophobicContact CE3-CB 3.76Å; W368-C488 HydrophobicContact CH2-CB 3.92Å; W368-C488 HydrophobicContact CZ2-CB 4.04Å; W368-C488 HydrophobicContact CZ3-CB 3.77Å; C488-H499 WeakPolarHBondContact O-CA 3.2Å; C488-K500 HydrophobicContact CB-CB 4.29Å; C488-K500 PolarHBondContact N-O 3.16Å; C488-K500 PolarHBondContact O-N 3.15Å |
| 489 | S | 92.9 | Very high | 89 | Confident | 9 Ų | 9 | 46.5 Ų | 46.5 | 6% | 0.063 | 27% | 0.265 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.6 | 132.4 | 172.5 | -168.5 | 0 | 0 | 0 | 0 | 109.5 | R367 H499 | R367-S489 PolarHBondContact N-O 3.25Å; R367-S489 PolarHBondContact O-N 3.28Å; S489-H499 PolarHBondContact OG-CE1 3.34Å; S489-H499 PolarHBondContact OG-ND1 2.79Å; S489-H499 VanDerWaalsContact OG-ND1 3.13Å |
| 490 | V | 91.6 | Very high | 89.3 | Confident | 0 Ų | 0 | 45.2 Ų | 45.2 | 0% | 0 | 25% | 0.254 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.3 | 126.6 | -177.3 | 176.1 | 0 | 0 | 0 | 0 | 108.7 | I333 I334 V356 T365 I366 D497 D498 | I333-V490 HydrophobicContact CG2-CG1 3.78Å; I334-V490 HydrophobicContact CD1-CB 4.19Å; I334-V490 HydrophobicContact CD1-CG2 3.7Å; I334-V490 HydrophobicContact CG1-CB 4.07Å; I334-V490 HydrophobicContact CG1-CG2 3.64Å; V356-V490 HydrophobicContact CG2-CB 4.39Å; V356-V490 HydrophobicContact CG2-CG1 3.53Å; V356-V490 HydrophobicContact CG2-CG2 3.98Å; T365-V490 WeakPolarHBondContact O-CA 3.42Å; I366-V490 HydrophobicContact CB-CG2 4.46Å; I366-V490 HydrophobicContact CG1-CG2 4.08Å; I366-V490 HydrophobicContact CG2-CG2 4.07Å; V490-D497 CarbonylContact O-C 3.54Å; V490-D497 WeakPolarHBondContact O-CA 3.34Å; V490-D498 PolarHBondContact N-O 3.42Å; V490-D498 PolarHBondContact O-N 3.41Å |
| 491 | L | 88.4 | Confident | 89.6 | Confident | 84 Ų | 84 | 42.1 Ų | 42.1 | 44% | 0.44 | 24% | 0.239 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.1 | 120.7 | 173.2 | 175.6 | 69 | 0 | 0 | 0 | 109.8 | S364 T365 D497 | S364-L491 WeakPolarHBondContact CA-O 3.4Å; T365-L491 PolarHBondContact N-O 2.94Å; T365-L491 PolarHBondContact O-N 3.17Å; T365-L491 PolarHBondContact OG1-O 3.1Å; L491-D497 HydrophobicContact CD1-CB 4.18Å |
| 492 | T | 86.7 | Confident | 90 | Very high | 7 Ų | 7 | 38 Ų | 38 | 4% | 0.043 | 21% | 0.21 | C | C | . | . | trans | -87.1 | 160.1 | -178.7 | 60 | 0 | 0 | 0 | 0 | 113 | I333 H361 A494 G495 R496 | I333-T492 HydrophobicContact CD1-CG2 3.81Å; I333-T492 HydrophobicContact CG2-CG2 3.57Å; H361-T492 HydrophobicContact CB-CG2 3.91Å; T492-A494 PolarHBondContact O-N 3.49Å; T492-A494 VanDerWaalsContact O-N 3.16Å; T492-G495 PolarHBondContact O-N 3.14Å; T492-R496 PolarHBondContact N-O 3.37Å; T492-R496 PolarHBondContact OG1-N 2.85Å; T492-R496 PolarHBondContact OG1-O 3.22Å | ||
| 493 | E | 80.6 | Confident | 90.3 | Very high | 112 Ų | 112 | 40.1 Ų | 40.1 | 52% | 0.523 | 22% | 0.22 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -57.9 | -28.2 | 175.1 | -166.7 | 178.2 | 159.5 | 0 | 0 | 113.1 | R362 S363 G495 | R362-E493 PolarHBondContact O-N 3.17Å; S363-E493 PolarHBondContact OG-OE2 3.35Å; E493-G495 PolarHBondContact O-N 3.08Å |
| 494 | A | 78.5 | Confident | 90.4 | Very high | 59 Ų | 59 | 38.6 Ų | 38.6 | 49% | 0.488 | 21% | 0.209 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -73.3 | -2.1 | 174.7 | 0 | 0 | 0 | 0 | 0 | 114 | S327 T492 R496 | S327-A494 WeakPolarHBondContact OG-CB 3.33Å; T492-A494 PolarHBondContact O-N 3.49Å; T492-A494 VanDerWaalsContact O-N 3.16Å; A494-R496 VanDerWaalsContact C-N 3.3Å; A494-R496 PolarHBondContact O-N 3.31Å |
| 495 | G | 81.7 | Confident | 90.5 | Very high | 56 Ų | 56 | 40.2 Ų | 40.2 | 58% | 0.577 | 22% | 0.217 | S | C | * | . | S | Bend | trans | 77 | 10.9 | -178.1 | 0 | 0 | 0 | 0 | 0 | 114.6 | T492 E493 | T492-G495 PolarHBondContact O-N 3.14Å; E493-G495 PolarHBondContact O-N 3.08Å |
| 496 | R | 85 | Confident | 90.4 | Very high | 67 Ų | 67 | 34.4 Ų | 34.4 | 25% | 0.253 | 20% | 0.196 | S | C | . | . | trans | -82.9 | 131.5 | 169.3 | -61.3 | -177.4 | 61.5 | -161.6 | -4.9 | 109.8 | R328 T329 D330 G331 I333 T492 A494 | R328-R496 PolarHBondContact O-NH1 3.3Å; T329-R496 VanDerWaalsContact C-NH1 3.25Å; T329-R496 PolarHBondContact O-NH1 2.56Å; D330-R496 PolarHBondContact O-NH1 3.07Å; G331-R496 PolarHBondContact O-NH2 2.79Å; I333-R496 HydrophobicContact CD1-CB 3.62Å; T492-R496 PolarHBondContact N-O 3.37Å; T492-R496 PolarHBondContact OG1-N 2.85Å; T492-R496 PolarHBondContact OG1-O 3.22Å; A494-R496 VanDerWaalsContact C-N 3.3Å; A494-R496 PolarHBondContact O-N 3.31Å | ||
| 497 | D | 87.8 | Confident | 90.1 | Very high | 97 Ų | 97 | 38.6 Ų | 38.6 | 52% | 0.519 | 22% | 0.222 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -102.6 | 155.7 | 169.8 | 69.4 | -53.6 | 0 | 0 | 0 | 112.3 | V490 L491 H499 | V490-D497 CarbonylContact O-C 3.54Å; V490-D497 WeakPolarHBondContact O-CA 3.34Å; L491-D497 HydrophobicContact CD1-CB 4.18Å; D497-H499 IonicContact OD2-CD2 2.84Å; D497-H499 IonicContact OD2-CE1 3.87Å; D497-H499 IonicContact OD2-NE2 2.64Å; D497-H499 PolarHBondContact OD2-NE2 3.17Å |
| 498 | D | 90 | Very high | 89.1 | Confident | 25 Ų | 25 | 40.5 Ų | 40.5 | 13% | 0.134 | 24% | 0.241 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -152.5 | 155 | 175.5 | -166 | 4.8 | 0 | 0 | 0 | 110.3 | I333 I334 H338 V490 | I333-D498 WeakPolarHBondContact CA-OD2 3.48Å; I333-D498 HydrophobicContact CB-CB 3.71Å; I333-D498 WeakPolarHBondContact CB-OD2 3.44Å; I333-D498 HydrophobicContact CD1-CB 3.83Å; I333-D498 HydrophobicContact CG1-CB 3.87Å; I333-D498 PolarHBondContact N-OD2 3.29Å; I334-D498 HydrophobicContact CD1-CB 4.23Å; I334-D498 HydrophobicContact CG1-CB 4.16Å; I334-D498 PolarHBondContact N-OD2 2.92Å; H338-D498 IonicContact CE1-OD1 3.39Å; H338-D498 PolarHBondContact CE1-OD1 3.12Å; H338-D498 IonicContact CE1-OD2 3.14Å; H338-D498 PolarHBondContact CE1-OD2 3.19Å; H338-D498 VanDerWaalsContact CE1-OD2 3.31Å; H338-D498 IonicContact ND1-OD1 3.34Å; H338-D498 PolarHBondContact ND1-OD1 2.85Å; V490-D498 PolarHBondContact N-O 3.42Å; V490-D498 PolarHBondContact O-N 3.41Å |
| 499 | H | 92.5 | Very high | 87.3 | Confident | 26 Ų | 26 | 43.9 Ų | 43.9 | 12% | 0.12 | 28% | 0.276 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -139.1 | 136.6 | -170.4 | -51.9 | -90.1 | 0 | 0 | 0 | 111.8 | H338 V487 C488 S489 D497 F501 | H338-H499 PolarHBondContact ND1-O 3.48Å; H338-H499 VanDerWaalsContact ND1-O 3.08Å; V487-H499 HydrophobicContact CG2-CB 4.04Å; C488-H499 WeakPolarHBondContact O-CA 3.2Å; S489-H499 PolarHBondContact OG-CE1 3.34Å; S489-H499 PolarHBondContact OG-ND1 2.79Å; S489-H499 VanDerWaalsContact OG-ND1 3.13Å; D497-H499 IonicContact OD2-CD2 2.84Å; D497-H499 IonicContact OD2-CE1 3.87Å; D497-H499 IonicContact OD2-NE2 2.64Å; D497-H499 PolarHBondContact OD2-NE2 3.17Å; H499-F501 HydrophobicContact CB-CE2 4.25Å; H499-F501 HydrophobicContact CB-CZ 4.14Å |
| 500 | K | 93.7 | Very high | 85 | Confident | 12 Ų | 12 | 48.8 Ų | 48.8 | 5% | 0.052 | 31% | 0.31 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.8 | 122.9 | 175 | 170 | 173.3 | -178 | 172.6 | 0 | 110.1 | I334 P337 H338 I340 H353 V487 C488 | I334-K500 HydrophobicContact CD1-CB 3.7Å; I334-K500 HydrophobicContact CG2-CB 4.1Å; I334-K500 HydrophobicContact CG2-CD 3.74Å; P337-K500 WeakPolarHBondContact O-CE 3.33Å; H338-K500 CarbonylContact O-C 3.53Å; H338-K500 WeakPolarHBondContact O-CA 3.15Å; I340-K500 VanDerWaalsContact CD1-CE 3.43Å; H353-K500 WeakPolarHBondContact O-CE 3.32Å; H353-K500 PolarHBondContact O-NZ 3.48Å; V487-K500 CarbonylContact C-O 3.42Å; V487-K500 WeakPolarHBondContact CA-O 3.45Å; C488-K500 HydrophobicContact CB-CB 4.29Å; C488-K500 PolarHBondContact N-O 3.16Å; C488-K500 PolarHBondContact O-N 3.15Å |
| 501 | F | 94.5 | Very high | 82.5 | Confident | 50 Ų | 50 | 54.2 Ų | 54.2 | 22% | 0.219 | 34% | 0.338 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.8 | 137.5 | -177.4 | -58.1 | -78.7 | 0 | 0 | 0 | 111.9 | H338 I339 I340 A391 F395 R485 Y486 V487 H499 | H338-F501 PolarHBondContact O-N 3.34Å; I339-F501 WeakPolarHBondContact CA-O 3.24Å; I340-F501 PolarHBondContact N-O 3.17Å; A391-F501 HydrophobicContact CB-CE1 4.36Å; A391-F501 HydrophobicContact CB-CZ 3.67Å; F395-F501 HydrophobicContact CZ-CE1 4.28Å; R485-F501 HydrophobicContact CG-CD1 4.38Å; Y486-F501 CarbonylContact O-C 3.49Å; Y486-F501 WeakPolarHBondContact O-CA 3.16Å; V487-F501 HydrophobicContact CB-CD1 4Å; V487-F501 HydrophobicContact CB-CE1 4.06Å; V487-F501 HydrophobicContact CG2-CD1 3.79Å; V487-F501 HydrophobicContact CG2-CE1 3.58Å; V487-F501 HydrophobicContact CG2-CZ 4.24Å; H499-F501 HydrophobicContact CB-CE2 4.25Å; H499-F501 HydrophobicContact CB-CZ 4.14Å |
| 502 | V | 95.2 | Very high | 80.4 | Confident | 0 Ų | 0 | 57.1 Ų | 57.1 | 0% | 0 | 35% | 0.353 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.4 | 111.9 | 173.1 | -172.5 | 0 | 0 | 0 | 0 | 108.3 | I340 F352 W368 Y486 I504 | I340-V502 HydrophobicContact CB-CG1 4.36Å; I340-V502 HydrophobicContact CB-CG2 4.35Å; I340-V502 HydrophobicContact CG2-CG1 4.18Å; I340-V502 CarbonylContact O-C 3.58Å; I340-V502 WeakPolarHBondContact O-CA 3.36Å; F352-V502 HydrophobicContact CB-CG2 4.31Å; F352-V502 HydrophobicContact CD1-CG1 3.75Å; F352-V502 HydrophobicContact CD2-CG1 4.2Å; F352-V502 HydrophobicContact CE1-CG1 3.99Å; F352-V502 HydrophobicContact CE2-CG1 4.41Å; F352-V502 HydrophobicContact CG-CG1 3.87Å; F352-V502 HydrophobicContact CZ-CG1 4.3Å; W368-V502 HydrophobicContact CH2-CG2 4.38Å; W368-V502 HydrophobicContact CZ3-CG2 4.03Å; Y486-V502 PolarHBondContact N-O 2.99Å; Y486-V502 PolarHBondContact O-N 3.4Å; V502-I504 HydrophobicContact CG1-CD1 4.31Å; V502-I504 HydrophobicContact CG1-CG1 3.84Å |
| 503 | Q | 95.2 | Very high | 78 | Confident | 59 Ų | 59 | 66.4 Ų | 66.4 | 28% | 0.276 | 40% | 0.396 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.1 | 109.9 | 174.6 | -173.4 | 69.7 | 49.8 | 0 | 0 | 108.7 | I340 N341 E342 G484 | I340-Q503 PolarHBondContact O-N 3.38Å; N341-Q503 WeakPolarHBondContact OD1-CB 3.08Å; E342-Q503 PolarHBondContact N-O 3.07Å; G484-Q503 PolarHBondContact O-NE2 2.99Å |
| 504 | I | 94.7 | Very high | 75.7 | Confident | 0 Ų | 0 | 63.4 Ų | 63.4 | 0% | 0 | 40% | 0.395 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.1 | 127.7 | -178.4 | -54.8 | -179.1 | 0 | 0 | 0 | 109 | V344 F352 L473 L475 S483 G484 Y486 V502 V506 | V344-I504 HydrophobicContact CG2-CG2 4.06Å; F352-I504 HydrophobicContact CD2-CD1 4Å; F352-I504 HydrophobicContact CE2-CD1 3.38Å; F352-I504 HydrophobicContact CE2-CG1 4.08Å; F352-I504 HydrophobicContact CZ-CD1 3.99Å; F352-I504 HydrophobicContact CZ-CG1 4.19Å; L473-I504 HydrophobicContact CD2-CD1 4.3Å; L475-I504 HydrophobicContact CD1-CD1 3.78Å; L475-I504 HydrophobicContact CD2-CD1 3.63Å; L475-I504 HydrophobicContact CD2-CG2 4.03Å; L475-I504 HydrophobicContact CG-CD1 4.38Å; S483-I504 WeakPolarHBondContact CA-O 3.11Å; G484-I504 PolarHBondContact N-O 2.87Å; G484-I504 PolarHBondContact O-N 3.03Å; Y486-I504 HydrophobicContact CD2-CB 4.38Å; Y486-I504 HydrophobicContact CD2-CD1 3.6Å; Y486-I504 HydrophobicContact CD2-CG1 3.89Å; Y486-I504 HydrophobicContact CE2-CB 4.23Å; Y486-I504 HydrophobicContact CE2-CD1 3.67Å; Y486-I504 HydrophobicContact CE2-CG1 4.13Å; Y486-I504 HydrophobicContact CG-CD1 4.35Å; V502-I504 HydrophobicContact CG1-CD1 4.31Å; V502-I504 HydrophobicContact CG1-CG1 3.84Å; I504-V506 HydrophobicContact CG2-CG2 4.18Å |
| 505 | S | 93.7 | Very high | 73.6 | Confident | 53 Ų | 53 | 68.1 Ų | 68.1 | 37% | 0.371 | 41% | 0.406 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.2 | 109.8 | 172.8 | -55.8 | 0 | 0 | 0 | 0 | 109.4 | E342 T343 V344 | E342-S505 PolarHBondContact O-N 3.2Å; T343-S505 WeakPolarHBondContact CA-O 3.47Å; V344-S505 PolarHBondContact N-O 3.42Å; V344-S505 VanDerWaalsContact N-O 3.07Å |
| 506 | V | 91.9 | Very high | 71.1 | Confident | 6 Ų | 6 | 74.8 Ų | 74.8 | 4% | 0.036 | 42% | 0.419 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.6 | 131 | 178.4 | -176 | 0 | 0 | 0 | 0 | 109.9 | V344 A346 A478 S479 Q480 D482 S483 I504 | V344-V506 CarbonylContact O-C 3.34Å; V344-V506 VanDerWaalsContact O-CA 3.26Å; V344-V506 WeakPolarHBondContact O-CA 3.38Å; A346-V506 HydrophobicContact CB-CG1 3.91Å; A478-V506 HydrophobicContact CB-CG1 4.2Å; A478-V506 HydrophobicContact CB-CG2 4.11Å; S479-V506 WeakPolarHBondContact O-CG2 3.41Å; Q480-V506 PolarHBondContact NE2-O 3.28Å; D482-V506 HydrophobicContact CB-CG2 4.42Å; S483-V506 WeakPolarHBondContact OG-CB 3.3Å; S483-V506 PolarHBondContact OG-N 3.23Å; I504-V506 HydrophobicContact CG2-CG2 4.18Å |
| 507 | V | 89.1 | Confident | 68.9 | Low | 89 Ų | 89 | 77.3 Ų | 77.3 | 54% | 0.539 | 44% | 0.437 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.4 | 132.9 | -175.3 | -175 | 0 | 0 | 0 | 0 | 110 | V344 E345 A346 | V344-V507 PolarHBondContact O-N 3.23Å; E345-V507 CarbonylContact C-O 3.49Å; E345-V507 WeakPolarHBondContact CA-O 3.46Å; A346-V507 PolarHBondContact N-O 3.26Å |
| 508 | G | 72.2 | Confident | 66.5 | Low | 40 Ų | 40 | 78.7 Ų | 78.7 | 41% | 0.412 | 45% | 0.45 | S | S | . | . | trans | 95.4 | 166.1 | -170.4 | 0 | 0 | 0 | 0 | 0 | 112.1 | A346 | A346-G508 VanDerWaalsContact CB-O 3.31Å; A346-G508 WeakPolarHBondContact CB-O 3.29Å | ||
| 509 | G | 58.4 | Low | 64 | Low | 71 Ų | 71 | 81.3 Ų | 81.3 | 73% | 0.732 | 48% | 0.483 | S | S | * | . | trans | 111.2 | 13.8 | 178.6 | 0 | 0 | 0 | 0 | 0 | 117.2 | ||||
| 510 | S | 42.9 | Very low | 61.7 | Low | 111 Ų | 111 | 84.7 Ų | 84.7 | 78% | 0.776 | 51% | 0.509 | S | S | * | . | trans | -98.6 | 131.9 | 167.9 | -170.8 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 511 | L | 39.6 | Very low | 59.6 | Low | 114 Ų | 114 | 85.9 Ų | 85.9 | 60% | 0.597 | 52% | 0.519 | S | S | * | . | trans | 67.9 | 139.7 | -158.7 | -71.3 | 68 | 0 | 0 | 0 | 111.7 | ||||
| 512 | I | 45.2 | Very low | 57.5 | Low | 146 Ų | 146 | 86.6 Ų | 86.6 | 75% | 0.749 | 54% | 0.54 | S | S | * | . | cis | -135.1 | 112.5 | 36.1 | -55.7 | 165.8 | 0 | 0 | 0 | 112.4 | ||||
| 513 | Q | 35.5 | Very low | 55.5 | Low | 202 Ų | 202 | 91.7 Ų | 91.7 | 94% | 0.944 | 57% | 0.572 | S | S | * | * | S | Bend | trans | -132 | 96.2 | 138 | -171.1 | 154.9 | 4.9 | 0 | 0 | 107.9 | ||
| 514 | G | 31.6 | Very low | 53.6 | Low | 48 Ų | 48 | 94.6 Ų | 94.6 | 50% | 0.495 | 59% | 0.585 | S | S | . | * | S | Bend | trans | 105.8 | 131.6 | -172.9 | 0 | 0 | 0 | 0 | 0 | 113.7 | ||
| 515 | H | 36.4 | Very low | 52 | Low | 158 Ų | 158 | 101.8 Ų | 101.8 | 73% | 0.731 | 61% | 0.612 | S | S | * | * | trans | 61 | 88.3 | 171.4 | -92 | -92.6 | 0 | 0 | 0 | 119.5 | L517 | H515-L517 PolarHBondContact O-N 3.06Š| ||
| 516 | K | 28.7 | Very low | 51 | Low | 196 Ų | 196 | 104.7 Ų | 104.7 | 85% | 0.852 | 62% | 0.623 | S | S | * | * | trans | -37.4 | 92.9 | 146.5 | 177.3 | -171.9 | 178.7 | 177.7 | 0 | 113.4 | ||||
| 517 | L | 38.6 | Very low | 50.2 | Low | 120 Ų | 120 | 108.4 Ų | 108.4 | 63% | 0.628 | 65% | 0.646 | S | S | * | * | trans | -152.7 | 86.7 | 159.9 | -80.2 | -173.5 | 0 | 0 | 0 | 112.2 | H515 G519 | H515-L517 PolarHBondContact O-N 3.06Å; L517-G519 PolarHBondContact O-N 2.03Å | ||
| 518 | T | 36.6 | Very low | 49.7 | Very low | 127 Ų | 127 | 108.7 Ų | 108.7 | 78% | 0.779 | 64% | 0.644 | S | S | * | * | trans | 33 | 87.6 | 143.1 | 54 | 0 | 0 | 0 | 0 | 117.4 | S520 S521 | T518-S520 PolarHBondContact O-N 2.61Å; T518-S521 PolarHBondContact O-OG 3.04Å | ||
| 519 | G | 39 | Very low | 50.2 | Low | 80 Ų | 80 | 115.5 Ų | 115.5 | 83% | 0.825 | 66% | 0.658 | S | S | * | * | S | Bend | trans | -88.6 | 66.5 | -178.2 | 0 | 0 | 0 | 0 | 0 | 115.8 | L517 | L517-G519 PolarHBondContact O-N 2.03Š|
| 520 | S | 43.7 | Very low | 51.4 | Low | 97 Ų | 97 | 116.9 Ų | 116.9 | 68% | 0.678 | 65% | 0.648 | S | S | * | * | trans | -111.8 | 30.5 | 159.9 | -170.7 | 0 | 0 | 0 | 0 | 110.5 | T518 H524 | T518-S520 PolarHBondContact O-N 2.61Å; S520-H524 PolarHBondContact O-CD2 3.31Å | ||
| 521 | S | 48.3 | Very low | 53.2 | Low | 37 Ų | 37 | 113.4 Ų | 113.4 | 26% | 0.259 | 63% | 0.626 | S | S | . | * | trans | -124.3 | 8 | -146.6 | 47.3 | 0 | 0 | 0 | 0 | 115.5 | T518 R525 | T518-S521 PolarHBondContact O-OG 3.04Å; S521-R525 WeakPolarHBondContact O-CB 3.4Å; S521-R525 WeakPolarHBondContact O-CD 3.49Å; S521-R525 WeakPolarHBondContact O-CG 3.41Å; S521-R525 PolarHBondContact O-N 2.67Å | ||
| 522 | G | 51.9 | Low | 55.4 | Low | 65 Ų | 65 | 112.2 Ų | 112.2 | 67% | 0.67 | 62% | 0.619 | S | S | * | * | H | α-helix | trans | -68.4 | -60.8 | 172.3 | 0 | 0 | 0 | 0 | 0 | 112.4 | R525 L526 | G522-R525 PolarHBondContact O-N 3.11Å; G522-L526 PolarHBondContact O-N 2.79Å |
| 523 | T | 53.4 | Low | 57.6 | Low | 107 Ų | 107 | 108.8 Ų | 108.8 | 66% | 0.656 | 61% | 0.606 | S | S | * | * | H | α-helix | trans | -65.6 | -46 | 175.8 | 49.3 | 0 | 0 | 0 | 0 | 111.4 | R525 L526 T527 | T523-R525 VanDerWaalsContact C-N 3.3Å; T523-R525 PolarHBondContact O-N 3.41Å; T523-L526 PolarHBondContact O-N 2.64Å; T523-L526 VanDerWaalsContact O-N 3.14Å; T523-T527 PolarHBondContact O-N 2.89Å; T523-T527 PolarHBondContact O-OG1 2.83Å; T523-T527 VanDerWaalsContact O-OG1 3.09Å |
| 524 | H | 53.5 | Low | 60.1 | Low | 119 Ų | 119 | 102.2 Ų | 102.2 | 55% | 0.551 | 58% | 0.58 | S | S | * | * | H | α-helix | trans | -59.8 | -33.5 | 177.6 | -91.3 | -78.8 | 0 | 0 | 0 | 113.8 | S520 L528 | S520-H524 PolarHBondContact O-CD2 3.31Å; H524-L528 VanDerWaalsContact O-CB 3.29Å; H524-L528 WeakPolarHBondContact O-CB 3.46Å; H524-L528 PolarHBondContact O-N 2.82Å |
| 525 | R | 62.4 | Low | 62.8 | Low | 151 Ų | 151 | 103.5 Ų | 103.5 | 57% | 0.57 | 58% | 0.578 | S | S | * | * | H | α-helix | trans | -69 | -44.1 | 173.5 | -81.3 | 175.5 | 177.2 | -157.1 | 1 | 111.8 | S521 G522 T523 T527 L528 Y529 | S521-R525 WeakPolarHBondContact O-CB 3.4Å; S521-R525 WeakPolarHBondContact O-CD 3.49Å; S521-R525 WeakPolarHBondContact O-CG 3.41Å; S521-R525 PolarHBondContact O-N 2.67Å; G522-R525 PolarHBondContact O-N 3.11Å; T523-R525 VanDerWaalsContact C-N 3.3Å; T523-R525 PolarHBondContact O-N 3.41Å; R525-T527 VanDerWaalsContact C-N 3.34Å; R525-T527 PolarHBondContact O-N 2.57Å; R525-L528 PolarHBondContact O-N 2.98Å; R525-Y529 WeakPolarHBondContact O-CB 3.44Å; R525-Y529 VanDerWaalsContact O-CD2 3.24Å; R525-Y529 WeakPolarHBondContact O-CD2 3.49Å; R525-Y529 PolarHBondContact O-N 3.12Å |
| 526 | L | 73.2 | Confident | 65.5 | Low | 115 Ų | 115 | 100.6 Ų | 100.6 | 60% | 0.602 | 57% | 0.567 | S | S | * | * | H | α-helix | trans | -59.7 | -46.7 | 174.7 | -169.9 | 80.6 | 0 | 0 | 0 | 110.8 | G522 T523 L528 Y529 I530 | G522-L526 PolarHBondContact O-N 2.79Å; T523-L526 PolarHBondContact O-N 2.64Å; T523-L526 VanDerWaalsContact O-N 3.14Å; L526-L528 VanDerWaalsContact C-N 3.35Å; L526-L528 PolarHBondContact O-N 3.26Å; L526-Y529 PolarHBondContact O-N 3.39Å; L526-I530 HydrophobicContact CD2-CD1 4.46Å; L526-I530 HydrophobicContact CG-CD1 4.04Å; L526-I530 WeakPolarHBondContact O-CG1 3.46Å; L526-I530 PolarHBondContact O-N 2.85Å |
| 527 | T | 73.9 | Confident | 68.5 | Low | 84 Ų | 84 | 97.4 Ų | 97.4 | 52% | 0.515 | 55% | 0.554 | S | S | . | * | H | α-helix | trans | -61.5 | -40 | 176.3 | -52.9 | 0 | 0 | 0 | 0 | 111.7 | T523 R525 I530 A531 | T523-T527 PolarHBondContact O-N 2.89Å; T523-T527 PolarHBondContact O-OG1 2.83Å; T523-T527 VanDerWaalsContact O-OG1 3.09Å; R525-T527 VanDerWaalsContact C-N 3.34Å; R525-T527 PolarHBondContact O-N 2.57Å; T527-I530 PolarHBondContact O-N 2.88Å; T527-A531 WeakPolarHBondContact O-CA 3.44Å; T527-A531 WeakPolarHBondContact O-CB 3.42Å; T527-A531 PolarHBondContact O-N 2.94Å |
| 528 | L | 79.2 | Confident | 70.9 | Confident | 95 Ų | 95 | 98 Ų | 98 | 50% | 0.497 | 55% | 0.551 | S | S | . | * | H | α-helix | trans | -64.6 | -44.4 | 173.4 | -94.8 | 155.7 | 0 | 0 | 0 | 112.8 | H524 R525 L526 I530 A531 I532 | H524-L528 VanDerWaalsContact O-CB 3.29Å; H524-L528 WeakPolarHBondContact O-CB 3.46Å; H524-L528 PolarHBondContact O-N 2.82Å; R525-L528 PolarHBondContact O-N 2.98Å; L526-L528 VanDerWaalsContact C-N 3.35Å; L526-L528 PolarHBondContact O-N 3.26Å; L528-I530 PolarHBondContact O-N 2.77Å; L528-A531 PolarHBondContact O-N 2.67Å; L528-I532 HydrophobicContact CD2-CD1 3.77Å; L528-I532 HydrophobicContact CD2-CG1 4.18Å; L528-I532 WeakPolarHBondContact O-CB 3.49Å; L528-I532 WeakPolarHBondContact O-CG1 3.22Å; L528-I532 PolarHBondContact O-N 3.32Å |
| 529 | Y | 81.9 | Confident | 73.6 | Confident | 183 Ų | 183 | 97.1 Ų | 97.1 | 72% | 0.718 | 54% | 0.541 | S | S | * | . | H | α-helix | trans | -64.3 | -25.8 | 177.6 | -88.8 | -68.9 | 0 | 0 | 0 | 113 | R525 L526 P533 | R525-Y529 WeakPolarHBondContact O-CB 3.44Å; R525-Y529 VanDerWaalsContact O-CD2 3.24Å; R525-Y529 WeakPolarHBondContact O-CD2 3.49Å; R525-Y529 PolarHBondContact O-N 3.12Å; L526-Y529 PolarHBondContact O-N 3.39Å; Y529-P533 WeakPolarHBondContact O-CD 3.29Å; Y529-P533 VanDerWaalsContact O-CG 3.25Å; Y529-P533 WeakPolarHBondContact O-CG 3.42Å |
| 530 | I | 84.3 | Confident | 76.1 | Confident | 100 Ų | 100 | 96.9 Ų | 96.9 | 51% | 0.513 | 53% | 0.525 | S | S | . | . | H | α-helix | trans | -90 | -38.2 | 173.8 | -62.3 | 168.2 | 0 | 0 | 0 | 111.2 | L526 T527 L528 T534 | L526-I530 HydrophobicContact CD2-CD1 4.46Å; L526-I530 HydrophobicContact CG-CD1 4.04Å; L526-I530 WeakPolarHBondContact O-CG1 3.46Å; L526-I530 PolarHBondContact O-N 2.85Å; T527-I530 PolarHBondContact O-N 2.88Å; L528-I530 PolarHBondContact O-N 2.77Å; I530-T534 HydrophobicContact CG2-CG2 4.48Å; I530-T534 WeakPolarHBondContact O-CB 3.3Å; I530-T534 VanDerWaalsContact O-CG2 3.28Å; I530-T534 WeakPolarHBondContact O-CG2 3.34Å; I530-T534 PolarHBondContact O-N 3.23Å; I530-T534 PolarHBondContact O-OG1 2.81Å |
| 531 | A | 80.5 | Confident | 78.4 | Confident | 37 Ų | 37 | 95.8 Ų | 95.8 | 31% | 0.306 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -70.6 | -36.9 | -177.7 | 0 | 0 | 0 | 0 | 0 | 113.2 | T527 L528 T534 T535 | T527-A531 WeakPolarHBondContact O-CA 3.44Å; T527-A531 WeakPolarHBondContact O-CB 3.42Å; T527-A531 PolarHBondContact O-N 2.94Å; L528-A531 PolarHBondContact O-N 2.67Å; A531-T534 WeakPolarHBondContact CA-OG1 3.23Å; A531-T534 PolarHBondContact O-OG1 2.97Å; A531-T534 VanDerWaalsContact O-OG1 3.11Å; A531-T535 WeakPolarHBondContact O-CB 3.4Å; A531-T535 VanDerWaalsContact O-CG2 3.28Å; A531-T535 WeakPolarHBondContact O-CG2 3.43Å; A531-T535 PolarHBondContact O-N 3.19Å; A531-T535 PolarHBondContact O-OG1 3.1Å |
| 532 | I | 86.2 | Confident | 80.4 | Confident | 89 Ų | 89 | 98 Ų | 98 | 46% | 0.456 | 53% | 0.526 | S | S | . | . | H | α-helix | trans | -66.3 | -51.9 | -179 | -68.8 | 166.5 | 0 | 0 | 0 | 111.5 | L528 T534 T535 I536 | L528-I532 HydrophobicContact CD2-CD1 3.77Å; L528-I532 HydrophobicContact CD2-CG1 4.18Å; L528-I532 WeakPolarHBondContact O-CB 3.49Å; L528-I532 WeakPolarHBondContact O-CG1 3.22Å; L528-I532 PolarHBondContact O-N 3.32Å; I532-T534 VanDerWaalsContact C-N 3.35Å; I532-T534 PolarHBondContact O-N 3.21Å; I532-T535 PolarHBondContact O-N 2.65Å; I532-T535 PolarHBondContact O-OG1 3.44Å; I532-I536 HydrophobicContact CG2-CD1 3.76Å; I532-I536 VanDerWaalsContact O-CG1 3.27Å; I532-I536 WeakPolarHBondContact O-CG1 3.22Å; I532-I536 PolarHBondContact O-N 3.42Å |
| 533 | P | 91 | Very high | 82.4 | Confident | 74 Ų | 74 | 98.8 Ų | 98.8 | 48% | 0.481 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -63.3 | -38.4 | 177.1 | -23.9 | 35.9 | 0 | 0 | 0 | 113 | Y529 F537 | Y529-P533 WeakPolarHBondContact O-CD 3.29Å; Y529-P533 VanDerWaalsContact O-CG 3.25Å; Y529-P533 WeakPolarHBondContact O-CG 3.42Å; P533-F537 WeakPolarHBondContact O-CB 3.38Å; P533-F537 PolarHBondContact O-N 2.93Å |
| 534 | T | 88 | Confident | 84.3 | Confident | 64 Ų | 64 | 97.6 Ų | 97.6 | 39% | 0.393 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -68.7 | -42 | 179.4 | 51 | 0 | 0 | 0 | 0 | 112.3 | I530 A531 I532 F537 F538 | I530-T534 HydrophobicContact CG2-CG2 4.48Å; I530-T534 WeakPolarHBondContact O-CB 3.3Å; I530-T534 VanDerWaalsContact O-CG2 3.28Å; I530-T534 WeakPolarHBondContact O-CG2 3.34Å; I530-T534 PolarHBondContact O-N 3.23Å; I530-T534 PolarHBondContact O-OG1 2.81Å; A531-T534 WeakPolarHBondContact CA-OG1 3.23Å; A531-T534 PolarHBondContact O-OG1 2.97Å; A531-T534 VanDerWaalsContact O-OG1 3.11Å; I532-T534 VanDerWaalsContact C-N 3.35Å; I532-T534 PolarHBondContact O-N 3.21Å; T534-F537 PolarHBondContact O-N 2.9Å; T534-F538 VanDerWaalsContact O-CD2 3.29Å; T534-F538 WeakPolarHBondContact O-CD2 3.37Å; T534-F538 PolarHBondContact O-N 2.95Å |
| 535 | T | 88.2 | Confident | 86 | Confident | 76 Ų | 76 | 95.3 Ų | 95.3 | 47% | 0.466 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -65.4 | -41.3 | 175 | 50.8 | 0 | 0 | 0 | 0 | 112.3 | A531 I532 F537 F538 I539 | A531-T535 WeakPolarHBondContact O-CB 3.4Å; A531-T535 VanDerWaalsContact O-CG2 3.28Å; A531-T535 WeakPolarHBondContact O-CG2 3.43Å; A531-T535 PolarHBondContact O-N 3.19Å; A531-T535 PolarHBondContact O-OG1 3.1Å; I532-T535 PolarHBondContact O-N 2.65Å; I532-T535 PolarHBondContact O-OG1 3.44Å; T535-F537 VanDerWaalsContact C-N 3.34Å; T535-F537 PolarHBondContact O-N 2.86Å; T535-F538 PolarHBondContact O-N 3.19Å; T535-I539 VanDerWaalsContact O-CG1 3.29Å; T535-I539 WeakPolarHBondContact O-CG1 3.32Å; T535-I539 PolarHBondContact O-N 3.42Å |
| 536 | I | 93 | Very high | 87.3 | Confident | 97 Ų | 97 | 96 Ų | 96 | 50% | 0.497 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -60.1 | -44.3 | 173 | -68.1 | 167.8 | 0 | 0 | 0 | 110.8 | I532 I539 C540 | I532-I536 HydrophobicContact CG2-CD1 3.76Å; I532-I536 VanDerWaalsContact O-CG1 3.27Å; I532-I536 WeakPolarHBondContact O-CG1 3.22Å; I532-I536 PolarHBondContact O-N 3.42Å; I536-I539 PolarHBondContact O-N 2.95Å; I536-C540 PolarHBondContact O-N 3.08Å |
| 537 | F | 90.9 | Very high | 88 | Confident | 129 Ų | 129 | 93.5 Ų | 93.5 | 57% | 0.566 | 50% | 0.5 | S | S | * | . | H | α-helix | trans | -61.9 | -43.5 | 177.1 | -177.5 | -103.1 | 0 | 0 | 0 | 112.4 | P533 T534 T535 C540 L541 | P533-F537 WeakPolarHBondContact O-CB 3.38Å; P533-F537 PolarHBondContact O-N 2.93Å; T534-F537 PolarHBondContact O-N 2.9Å; T535-F537 VanDerWaalsContact C-N 3.34Å; T535-F537 PolarHBondContact O-N 2.86Å; F537-C540 PolarHBondContact O-N 2.86Å; F537-L541 HydrophobicContact CD1-CD1 3.92Å; F537-L541 HydrophobicContact CD1-CG 4.43Å; F537-L541 HydrophobicContact CE1-CD1 3.43Å; F537-L541 VanDerWaalsContact CE1-CD1 3.43Å; F537-L541 HydrophobicContact CE1-CG 4.11Å; F537-L541 HydrophobicContact CZ-CD1 3.93Å; F537-L541 HydrophobicContact CZ-CG 4.24Å; F537-L541 PolarHBondContact O-N 3.25Å |
| 538 | F | 89.8 | Confident | 88.6 | Confident | 132 Ų | 132 | 94.6 Ų | 94.6 | 58% | 0.579 | 50% | 0.502 | S | S | * | . | H | α-helix | trans | -63.1 | -41.5 | 174.3 | -89.1 | -70.4 | 0 | 0 | 0 | 112.6 | T534 T535 L541 C542 | T534-F538 VanDerWaalsContact O-CD2 3.29Å; T534-F538 WeakPolarHBondContact O-CD2 3.37Å; T534-F538 PolarHBondContact O-N 2.95Å; T535-F538 PolarHBondContact O-N 3.19Å; F538-L541 PolarHBondContact O-N 2.92Å; F538-C542 WeakPolarHBondContact O-CB 3.37Å; F538-C542 PolarHBondContact O-N 2.92Å; F538-C542 PolarHBondContact O-SG 2.83Å; F538-C542 VanDerWaalsContact O-SG 3.32Å |
| 539 | I | 92.9 | Very high | 88.7 | Confident | 109 Ų | 109 | 94.7 Ų | 94.7 | 56% | 0.559 | 50% | 0.502 | S | S | * | . | H | α-helix | trans | -61.9 | -45.5 | 175.6 | -68.6 | 164 | 0 | 0 | 0 | 110.4 | T535 I536 L541 C542 V543 | T535-I539 VanDerWaalsContact O-CG1 3.29Å; T535-I539 WeakPolarHBondContact O-CG1 3.32Å; T535-I539 PolarHBondContact O-N 3.42Å; I536-I539 PolarHBondContact O-N 2.95Å; I539-L541 PolarHBondContact O-N 2.91Å; I539-C542 PolarHBondContact O-N 3.18Å; I539-V543 HydrophobicContact CG2-CG2 4.48Å; I539-V543 WeakPolarHBondContact O-CG2 3.31Å; I539-V543 PolarHBondContact O-N 2.83Å |
| 540 | C | 92 | Very high | 88.5 | Confident | 74 Ų | 74 | 87.9 Ų | 87.9 | 50% | 0.5 | 48% | 0.481 | S | S | . | . | H | α-helix | trans | -58.7 | -45.2 | 174.2 | -81.3 | 0 | 0 | 0 | 0 | 112.3 | I536 F537 V543 V544 | I536-C540 PolarHBondContact O-N 3.08Å; F537-C540 PolarHBondContact O-N 2.86Å; C540-V543 PolarHBondContact O-N 2.82Å; C540-V544 WeakPolarHBondContact O-CB 3.49Å; C540-V544 WeakPolarHBondContact O-CG2 3.34Å; C540-V544 PolarHBondContact O-N 2.95Å |
| 541 | L | 92.8 | Very high | 87.8 | Confident | 75 Ų | 75 | 92.6 Ų | 92.6 | 39% | 0.393 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -61.6 | -43.9 | 174.8 | -76.4 | 179.7 | 0 | 0 | 0 | 112.1 | F537 F538 I539 V544 T545 | F537-L541 HydrophobicContact CD1-CD1 3.92Å; F537-L541 HydrophobicContact CD1-CG 4.43Å; F537-L541 HydrophobicContact CE1-CD1 3.43Å; F537-L541 VanDerWaalsContact CE1-CD1 3.43Å; F537-L541 HydrophobicContact CE1-CG 4.11Å; F537-L541 HydrophobicContact CZ-CD1 3.93Å; F537-L541 HydrophobicContact CZ-CG 4.24Å; F537-L541 PolarHBondContact O-N 3.25Å; F538-L541 PolarHBondContact O-N 2.92Å; I539-L541 PolarHBondContact O-N 2.91Å; L541-V544 PolarHBondContact O-N 2.88Å; L541-T545 VanDerWaalsContact O-CB 3.28Å; L541-T545 WeakPolarHBondContact O-CB 3Å; L541-T545 PolarHBondContact O-N 2.65Å; L541-T545 PolarHBondContact O-OG1 3.27Å |
| 542 | C | 90.5 | Very high | 87 | Confident | 84 Ų | 84 | 100.2 Ų | 100.2 | 57% | 0.568 | 51% | 0.514 | S | S | * | . | H | α-helix | trans | -61.4 | -43.5 | 176.6 | -73.6 | 0 | 0 | 0 | 0 | 111.9 | F538 I539 T545 Y546 | F538-C542 WeakPolarHBondContact O-CB 3.37Å; F538-C542 PolarHBondContact O-N 2.92Å; F538-C542 PolarHBondContact O-SG 2.83Å; F538-C542 VanDerWaalsContact O-SG 3.32Å; I539-C542 PolarHBondContact O-N 3.18Å; C542-T545 PolarHBondContact O-N 3.17Å; C542-Y546 VanDerWaalsContact O-CB 3.22Å; C542-Y546 WeakPolarHBondContact O-CB 3.33Å; C542-Y546 PolarHBondContact O-N 2.79Å |
| 543 | V | 93 | Very high | 85.7 | Confident | 81 Ų | 81 | 99.6 Ų | 99.6 | 49% | 0.491 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -64.4 | -47.3 | 176.3 | 172.3 | 0 | 0 | 0 | 0 | 111.1 | I539 C540 T545 Y546 C547 | I539-V543 HydrophobicContact CG2-CG2 4.48Å; I539-V543 WeakPolarHBondContact O-CG2 3.31Å; I539-V543 PolarHBondContact O-N 2.83Å; C540-V543 PolarHBondContact O-N 2.82Å; V543-T545 VanDerWaalsContact C-N 3.35Å; V543-T545 PolarHBondContact O-N 2.94Å; V543-Y546 PolarHBondContact O-N 2.89Å; V543-C547 WeakPolarHBondContact O-CB 3.44Å; V543-C547 PolarHBondContact O-N 2.55Å; V543-C547 PolarHBondContact O-SG 2.88Å |
| 544 | V | 92.2 | Very high | 83.9 | Confident | 82 Ų | 82 | 98.5 Ų | 98.5 | 50% | 0.497 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -60.4 | -45.1 | 176.8 | 170.6 | 0 | 0 | 0 | 0 | 111 | C540 L541 C547 L548 | C540-V544 WeakPolarHBondContact O-CB 3.49Å; C540-V544 WeakPolarHBondContact O-CG2 3.34Å; C540-V544 PolarHBondContact O-N 2.95Å; L541-V544 PolarHBondContact O-N 2.88Å; V544-C547 PolarHBondContact O-N 2.89Å; V544-L548 HydrophobicContact CG1-CD1 3.97Å; V544-L548 HydrophobicContact CG1-CG 4.44Å; V544-L548 WeakPolarHBondContact O-CB 3.45Å; V544-L548 VanDerWaalsContact O-CG 3.28Å; V544-L548 WeakPolarHBondContact O-CG 3.33Å; V544-L548 PolarHBondContact O-N 3.32Å |
| 545 | T | 89.5 | Confident | 82.3 | Confident | 71 Ų | 71 | 102.4 Ų | 102.4 | 44% | 0.436 | 53% | 0.525 | S | S | . | . | H | α-helix | trans | -64.7 | -42.4 | 179 | -50.5 | 0 | 0 | 0 | 0 | 111.1 | L541 C542 V543 L548 I549 | L541-T545 VanDerWaalsContact O-CB 3.28Å; L541-T545 WeakPolarHBondContact O-CB 3Å; L541-T545 PolarHBondContact O-N 2.65Å; L541-T545 PolarHBondContact O-OG1 3.27Å; C542-T545 PolarHBondContact O-N 3.17Å; V543-T545 VanDerWaalsContact C-N 3.35Å; V543-T545 PolarHBondContact O-N 2.94Å; T545-L548 PolarHBondContact O-N 2.98Å; T545-I549 HydrophobicContact CG2-CD1 3.91Å; T545-I549 WeakPolarHBondContact O-CB 3.22Å; T545-I549 VanDerWaalsContact O-CG1 3.3Å; T545-I549 WeakPolarHBondContact O-CG1 3.42Å; T545-I549 PolarHBondContact O-N 3.48Å |
| 546 | Y | 90.1 | Very high | 80.6 | Confident | 164 Ų | 164 | 105 Ų | 105 | 64% | 0.643 | 54% | 0.535 | S | S | * | . | H | α-helix | trans | -62.5 | -42.5 | 173.5 | 179.5 | -96.3 | 0 | 0 | 0 | 112.1 | C542 V543 L548 I549 S550 | C542-Y546 VanDerWaalsContact O-CB 3.22Å; C542-Y546 WeakPolarHBondContact O-CB 3.33Å; C542-Y546 PolarHBondContact O-N 2.79Å; V543-Y546 PolarHBondContact O-N 2.89Å; Y546-L548 PolarHBondContact O-N 3.14Å; Y546-I549 PolarHBondContact O-N 3.03Å; Y546-S550 WeakPolarHBondContact O-CB 3.4Å; Y546-S550 PolarHBondContact O-N 3.35Å; Y546-S550 PolarHBondContact O-OG 3.43Å |
| 547 | C | 88.7 | Confident | 78.5 | Confident | 64 Ų | 64 | 110.5 Ų | 110.5 | 43% | 0.432 | 55% | 0.55 | S | S | . | * | H | α-helix | trans | -64.4 | -37.4 | 174.9 | -72 | 0 | 0 | 0 | 0 | 112.4 | V543 V544 R551 | V543-C547 WeakPolarHBondContact O-CB 3.44Å; V543-C547 PolarHBondContact O-N 2.55Å; V543-C547 PolarHBondContact O-SG 2.88Å; V544-C547 PolarHBondContact O-N 2.89Å; C547-R551 VanDerWaalsContact O-CB 3.27Å; C547-R551 WeakPolarHBondContact O-CB 3.07Å; C547-R551 WeakPolarHBondContact O-CG 3.48Å; C547-R551 PolarHBondContact O-N 3.32Å |
| 548 | L | 85.7 | Confident | 76.4 | Confident | 106 Ų | 106 | 114.5 Ų | 114.5 | 56% | 0.555 | 56% | 0.561 | S | S | * | * | H | α-helix | trans | -69.5 | -42 | 175.9 | -71.1 | 171 | 0 | 0 | 0 | 112.1 | V544 T545 Y546 R552 | V544-L548 HydrophobicContact CG1-CD1 3.97Å; V544-L548 HydrophobicContact CG1-CG 4.44Å; V544-L548 WeakPolarHBondContact O-CB 3.45Å; V544-L548 VanDerWaalsContact O-CG 3.28Å; V544-L548 WeakPolarHBondContact O-CG 3.33Å; V544-L548 PolarHBondContact O-N 3.32Å; T545-L548 PolarHBondContact O-N 2.98Å; Y546-L548 PolarHBondContact O-N 3.14Å; L548-R552 WeakPolarHBondContact O-CB 3.46Å; L548-R552 PolarHBondContact O-N 3.04Å |
| 549 | I | 80.7 | Confident | 74.4 | Confident | 98 Ų | 98 | 112.2 Ų | 112.2 | 50% | 0.503 | 57% | 0.567 | S | S | . | * | H | α-helix | trans | -68.1 | -45.9 | 175.7 | -67.5 | 168.5 | 0 | 0 | 0 | 110.4 | T545 Y546 R551 R552 T553 | T545-I549 HydrophobicContact CG2-CD1 3.91Å; T545-I549 WeakPolarHBondContact O-CB 3.22Å; T545-I549 VanDerWaalsContact O-CG1 3.3Å; T545-I549 WeakPolarHBondContact O-CG1 3.42Å; T545-I549 PolarHBondContact O-N 3.48Å; Y546-I549 PolarHBondContact O-N 3.03Å; I549-R551 PolarHBondContact O-N 3.25Å; I549-R552 CarbonylContact O-C 3.59Å; I549-R552 PolarHBondContact O-N 3.34Å; I549-R552 VanDerWaalsContact O-N 3.13Å; I549-T553 HydrophobicContact CG2-CG2 4.34Å; I549-T553 WeakPolarHBondContact O-CG2 3.16Å; I549-T553 PolarHBondContact O-N 2.95Å; I549-T553 PolarHBondContact O-OG1 2.85Å; I549-T553 VanDerWaalsContact O-OG1 3.07Å |
| 550 | S | 78.6 | Confident | 72.3 | Confident | 39 Ų | 39 | 111.6 Ų | 111.6 | 27% | 0.273 | 57% | 0.572 | S | S | . | * | H | α-helix | trans | -63.4 | -37.4 | 176.5 | -68.8 | 0 | 0 | 0 | 0 | 112.3 | Y546 T553 A554 | Y546-S550 WeakPolarHBondContact O-CB 3.4Å; Y546-S550 PolarHBondContact O-N 3.35Å; Y546-S550 PolarHBondContact O-OG 3.43Å; S550-T553 WeakPolarHBondContact CA-OG1 3.35Å; S550-T553 PolarHBondContact O-OG1 3.02Å; S550-A554 WeakPolarHBondContact O-CB 3.44Å; S550-A554 PolarHBondContact O-N 3.14Å |
| 551 | R | 70.1 | Confident | 70.3 | Confident | 199 Ų | 199 | 114 Ų | 114 | 75% | 0.751 | 58% | 0.58 | S | S | * | * | H | α-helix | trans | -64.3 | -44 | 170 | -83.5 | -177.6 | 167.8 | -176.5 | -3 | 111.6 | C547 I549 A554 H555 | C547-R551 VanDerWaalsContact O-CB 3.27Å; C547-R551 WeakPolarHBondContact O-CB 3.07Å; C547-R551 WeakPolarHBondContact O-CG 3.48Å; C547-R551 PolarHBondContact O-N 3.32Å; I549-R551 PolarHBondContact O-N 3.25Å; R551-A554 PolarHBondContact O-N 2.95Å; R551-H555 WeakPolarHBondContact O-CB 3.29Å; R551-H555 PolarHBondContact O-N 2.03Å |
| 552 | R | 63.8 | Low | 68.2 | Low | 198 Ų | 198 | 117 Ų | 117 | 75% | 0.747 | 60% | 0.601 | S | S | * | * | H | α-helix | trans | -65.5 | -39.7 | 177.3 | -84.1 | -177.1 | 168 | 173.2 | -2.5 | 113.2 | L548 I549 H555 N556 | L548-R552 WeakPolarHBondContact O-CB 3.46Å; L548-R552 PolarHBondContact O-N 3.04Å; I549-R552 CarbonylContact O-C 3.59Å; I549-R552 PolarHBondContact O-N 3.34Å; I549-R552 VanDerWaalsContact O-N 3.13Å; R552-H555 PolarHBondContact O-N 2.83Å; R552-N556 WeakPolarHBondContact O-CB 3.36Å; R552-N556 PolarHBondContact O-N 2.85Å |
| 553 | T | 58 | Low | 65.8 | Low | 75 Ų | 75 | 124.7 Ų | 124.7 | 46% | 0.46 | 62% | 0.618 | S | S | . | * | H | α-helix | trans | -74.1 | -32.7 | 177.4 | 54.8 | 0 | 0 | 0 | 0 | 112.4 | I549 S550 R557 | I549-T553 HydrophobicContact CG2-CG2 4.34Å; I549-T553 WeakPolarHBondContact O-CG2 3.16Å; I549-T553 PolarHBondContact O-N 2.95Å; I549-T553 PolarHBondContact O-OG1 2.85Å; I549-T553 VanDerWaalsContact O-OG1 3.07Å; S550-T553 WeakPolarHBondContact CA-OG1 3.35Å; S550-T553 PolarHBondContact O-OG1 3.02Å; T553-R557 WeakPolarHBondContact O-CB 3.43Å; T553-R557 WeakPolarHBondContact O-CG 3.47Å; T553-R557 PolarHBondContact O-N 2.96Å; T553-R557 VanDerWaalsContact O-N 3.08Å |
| 554 | A | 52.9 | Low | 63.4 | Low | 51 Ų | 51 | 128.1 Ų | 128.1 | 42% | 0.421 | 63% | 0.629 | S | S | . | * | H | α-helix | trans | -67.5 | -38.2 | 169.7 | 0 | 0 | 0 | 0 | 0 | 112.6 | S550 R551 R558 | S550-A554 WeakPolarHBondContact O-CB 3.44Å; S550-A554 PolarHBondContact O-N 3.14Å; R551-A554 PolarHBondContact O-N 2.95Å; A554-R558 PolarHBondContact O-N 2.89Å |
| 555 | H | 54.2 | Low | 61.1 | Low | 147 Ų | 147 | 133.2 Ų | 133.2 | 68% | 0.681 | 65% | 0.647 | S | S | * | * | H | α-helix | trans | -69.4 | -41.3 | 176.5 | -135.2 | -78.3 | 0 | 0 | 0 | 111.9 | R551 R552 R557 R558 A559 | R551-H555 WeakPolarHBondContact O-CB 3.29Å; R551-H555 PolarHBondContact O-N 2.03Å; R552-H555 PolarHBondContact O-N 2.83Å; H555-R557 PolarHBondContact O-N 3.48Å; H555-R558 PolarHBondContact O-N 3.09Å; H555-A559 PolarHBondContact O-N 2.94Å |
| 556 | N | 53.1 | Low | 58.7 | Low | 129 Ų | 129 | 140.3 Ų | 140.3 | 69% | 0.69 | 67% | 0.666 | S | S | * | * | H | α-helix | trans | -74.5 | -20.2 | 178.9 | -75.6 | -1.2 | 0 | 0 | 0 | 113.8 | R552 | R552-N556 WeakPolarHBondContact O-CB 3.36Å; R552-N556 PolarHBondContact O-N 2.85Å |
| 557 | R | 49.8 | Very low | 56.2 | Low | 214 Ų | 214 | 138.1 Ų | 138.1 | 81% | 0.808 | 67% | 0.665 | S | S | * | * | H | α-helix | trans | -87.1 | -10.6 | 171.5 | -73.5 | -173.9 | 177.1 | -169.6 | 0.3 | 114.5 | T553 H555 | T553-R557 WeakPolarHBondContact O-CB 3.43Å; T553-R557 WeakPolarHBondContact O-CG 3.47Å; T553-R557 PolarHBondContact O-N 2.96Å; T553-R557 VanDerWaalsContact O-N 3.08Å; H555-R557 PolarHBondContact O-N 3.48Å |
| 558 | R | 46.5 | Very low | 53.9 | Low | 212 Ų | 212 | 144.6 Ų | 144.6 | 80% | 0.8 | 68% | 0.682 | S | S | * | * | H | α-helix | trans | -99.8 | -5.5 | 174.1 | -75.4 | -177.1 | 175.3 | 168.9 | -0.6 | 114.3 | A554 H555 | A554-R558 PolarHBondContact O-N 2.89Å; H555-R558 PolarHBondContact O-N 3.09Å |
| 559 | A | 47.9 | Very low | 51.7 | Low | 84 Ų | 84 | 148.1 Ų | 148.1 | 69% | 0.694 | 69% | 0.693 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -84.2 | -6 | 179.8 | 0 | 0 | 0 | 0 | 0 | 115 | H555 | H555-A559 PolarHBondContact O-N 2.94Š|
| 560 | S | 48.7 | Very low | 49.6 | Very low | 96 Ų | 96 | 150.5 Ų | 150.5 | 67% | 0.671 | 71% | 0.707 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -109.5 | 7.3 | -178.8 | 82.3 | 0 | 0 | 0 | 0 | 114.9 | ||
| 561 | N | 49.1 | Very low | 47.8 | Very low | 125 Ų | 125 | 153.3 Ų | 153.3 | 67% | 0.668 | 73% | 0.733 | S | S | * | * | S | Bend | trans | -141.3 | 157.8 | 178.1 | -87 | -56.5 | 0 | 0 | 0 | 109.6 | ||
| 562 | V | 49.2 | Very low | 46.6 | Very low | 139 Ų | 139 | 149.3 Ų | 149.3 | 84% | 0.842 | 73% | 0.73 | S | S | * | * | trans | 72.6 | 71.8 | -178.2 | -162.4 | 0 | 0 | 0 | 0 | 114.2 | ||||
| 563 | R | 40.1 | Very low | 45.6 | Very low | 244 Ų | 244 | 147.4 Ų | 147.4 | 92% | 0.921 | 73% | 0.73 | S | S | * | * | trans | -100.6 | 14.5 | 172 | -147.3 | -178.6 | -160.4 | 171 | 6.2 | 113.4 | ||||
| 564 | H | 43.7 | Very low | 44.7 | Very low | 154 Ų | 154 | 151.4 Ų | 151.4 | 71% | 0.713 | 74% | 0.743 | S | S | * | * | trans | -138.6 | 137.9 | -169.1 | -77.1 | -11.4 | 0 | 0 | 0 | 113.9 | ||||
| 565 | Q | 43.4 | Very low | 44.2 | Very low | 188 Ų | 188 | 153.8 Ų | 153.8 | 88% | 0.879 | 76% | 0.757 | S | S | * | * | trans | 60.6 | 109.4 | 164.4 | -61.8 | 168.7 | -75.7 | 0 | 0 | 116.6 | ||||
| 566 | R | 39.7 | Very low | 43.5 | Very low | 221 Ų | 221 | 153.6 Ų | 153.6 | 83% | 0.834 | 76% | 0.756 | S | S | * | * | cis | 88.2 | 98.8 | 27.1 | -157.5 | -179.1 | -165.6 | 169.4 | 5.3 | 115.7 | ||||
| 567 | N | 37.3 | Very low | 42.9 | Very low | 118 Ų | 118 | 155.1 Ų | 155.1 | 63% | 0.631 | 76% | 0.763 | S | S | * | * | trans | 54.5 | 134.6 | 147.1 | -53.5 | 0 | 0 | 0 | 0 | 120.5 | ||||
| 568 | Y | 39.7 | Very low | 42.4 | Very low | 199 Ų | 199 | 152.4 Ų | 152.4 | 78% | 0.78 | 76% | 0.757 | S | S | * | * | 176.7 | 120 | 98.1 | -104.3 | -86.7 | 0 | 0 | 0 | 114.5 | |||||
| 569 | F | 39.1 | Very low | 42 | Very low | 181 Ų | 181 | 147.6 Ų | 147.6 | 79% | 0.794 | 76% | 0.756 | S | S | * | * | trans | 70.9 | 157.5 | 139.9 | -96.7 | -105.8 | 0 | 0 | 0 | 126 | ||||
| 570 | N | 36.7 | Very low | 41.9 | Very low | 147 Ų | 147 | 148.6 Ų | 148.6 | 79% | 0.786 | 76% | 0.757 | S | S | * | * | trans | -113.3 | 166.5 | -164.7 | -54.2 | -64.2 | 0 | 0 | 0 | 113.8 | ||||
| 571 | A | 40.2 | Very low | 41.7 | Very low | 99 Ų | 99 | 148.3 Ų | 148.3 | 82% | 0.818 | 76% | 0.755 | S | S | * | * | trans | -163.6 | 152.5 | 145.9 | 0 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 572 | V | 44.9 | Very low | 41.3 | Very low | 115 Ų | 115 | 149.1 Ų | 149.1 | 70% | 0.697 | 77% | 0.765 | S | S | * | * | cis | -175 | 160.7 | -35.8 | 124.6 | 0 | 0 | 0 | 0 | 108.9 | ||||
| 573 | Q | 43.2 | Very low | 40.6 | Very low | 157 Ų | 157 | 146 Ų | 146 | 73% | 0.734 | 75% | 0.753 | S | S | * | * | trans | 67.1 | 146 | 170 | -82.7 | 162.1 | -54.4 | 0 | 0 | 117.8 | ||||
| 574 | Q | 39.4 | Very low | 40.3 | Very low | 160 Ų | 160 | 139.7 Ų | 139.7 | 75% | 0.748 | 75% | 0.746 | S | S | * | * | cis | -156 | 175.8 | -8.7 | -128.7 | 159.9 | -9 | 0 | 0 | 106.6 | ||||
| 575 | S | 42.1 | Very low | 39.8 | Very low | 100 Ų | 100 | 137.3 Ų | 137.3 | 70% | 0.699 | 75% | 0.747 | S | S | * | * | cis | -148.8 | 148.1 | 5.6 | 31.5 | 0 | 0 | 0 | 0 | 107.8 | ||||
| 576 | Q | 39 | Very low | 39.4 | Very low | 144 Ų | 144 | 134.1 Ų | 134.1 | 67% | 0.673 | 75% | 0.746 | S | S | * | * | 50.6 | 127.3 | 85 | -57 | -76.5 | -43 | 0 | 0 | 113.7 | |||||
| 577 | I | 42.1 | Very low | 39.2 | Very low | 161 Ų | 161 | 128.6 Ų | 128.6 | 83% | 0.826 | 74% | 0.741 | S | S | * | * | cis | -155.5 | 154.7 | 49.2 | -71.7 | 169.7 | 0 | 0 | 0 | 110.1 | ||||
| 578 | K | 38.7 | Very low | 39.3 | Very low | 156 Ų | 156 | 131.3 Ų | 131.3 | 68% | 0.678 | 75% | 0.754 | S | S | * | * | cis | -178.1 | 118.9 | -26.1 | -175 | 169.9 | -179.6 | 179.8 | 0 | 111.5 | ||||
| 579 | S | 37.7 | Very low | 38.9 | Very low | 112 Ų | 112 | 124.4 Ų | 124.4 | 78% | 0.783 | 74% | 0.743 | S | S | * | * | trans | 58.5 | 172.4 | 145.6 | -47.6 | 0 | 0 | 0 | 0 | 119.1 | ||||
| 580 | S | 46.7 | Very low | 38.6 | Very low | 104 Ų | 104 | 122.5 Ų | 122.5 | 73% | 0.727 | 75% | 0.746 | S | S | * | * | cis | -146.8 | 171.1 | 7.3 | 71.7 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 581 | S | 43.6 | Very low | 38.4 | Very low | 90 Ų | 90 | 121 Ų | 121 | 63% | 0.629 | 75% | 0.746 | S | S | * | * | cis | -173.6 | 151.3 | 13.1 | 11.3 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 582 | V | 40.3 | Very low | 37.8 | Very low | 143 Ų | 143 | 127 Ų | 127 | 87% | 0.867 | 75% | 0.747 | S | S | * | * | trans | 65.1 | 135 | 136.6 | 172.3 | 0 | 0 | 0 | 0 | 117.7 | ||||
| 583 | A | 35.5 | Very low | 37 | Very low | 72 Ų | 72 | 129 Ų | 129 | 60% | 0.595 | 75% | 0.754 | S | S | * | * | cis | -161 | 145.7 | -5.8 | 0 | 0 | 0 | 0 | 0 | 107.7 | ||||
| 584 | S | 33.6 | Very low | 36.2 | Very low | 112 Ų | 112 | 124.9 Ų | 124.9 | 78% | 0.783 | 75% | 0.753 | S | S | * | * | 56.3 | 137.3 | 93.7 | -33.6 | 0 | 0 | 0 | 0 | 113.9 | |||||
| 585 | S | 33.3 | Very low | 35.7 | Very low | 104 Ų | 104 | 120.7 Ų | 120.7 | 73% | 0.727 | 75% | 0.753 | S | S | * | * | cis | 179.7 | -179.6 | -3.7 | 42.6 | 0 | 0 | 0 | 0 | 108.6 | ||||
| 586 | S | 35.5 | Very low | 35.3 | Very low | 122 Ų | 122 | 123.4 Ų | 123.4 | 85% | 0.853 | 76% | 0.758 | S | S | * | * | trans | 86.8 | 159.5 | 157.8 | 82.6 | 0 | 0 | 0 | 0 | 118.5 | ||||
| 587 | S | 35.1 | Very low | 34.8 | Very low | 105 Ų | 105 | 123.4 Ų | 123.4 | 73% | 0.734 | 76% | 0.763 | S | S | * | * | trans | -122.9 | 141.2 | -153.6 | 52.3 | 0 | 0 | 0 | 0 | 112.5 | ||||
| 588 | I | 39.1 | Very low | 34.2 | Very low | 174 Ų | 174 | 119.3 Ų | 119.3 | 89% | 0.892 | 76% | 0.761 | S | S | * | * | trans | -169 | 148 | 161.9 | -88.9 | 133.4 | 0 | 0 | 0 | 103.3 | ||||
| 589 | G | 31.8 | Very low | 33.7 | Very low | 55 Ų | 55 | 119.7 Ų | 119.7 | 57% | 0.567 | 76% | 0.764 | S | S | * | * | cis | 123 | 121.6 | 14.8 | 0 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 590 | V | 32.6 | Very low | 33.4 | Very low | 141 Ų | 141 | 120.5 Ų | 120.5 | 86% | 0.855 | 77% | 0.765 | S | S | * | * | trans | 75.5 | 154.1 | 166.2 | -147.9 | 0 | 0 | 0 | 0 | 118.2 | ||||
| 591 | C | 32.1 | Very low | 32.8 | Very low | 114 Ų | 114 | 120.6 Ų | 120.6 | 77% | 0.77 | 76% | 0.761 | S | S | * | * | trans | 71.1 | 124.4 | 171.6 | -58.4 | 0 | 0 | 0 | 0 | 116.8 | ||||
| 592 | R | 28 | Very low | 32.5 | Very low | 225 Ų | 225 | 124.1 Ų | 124.1 | 85% | 0.849 | 77% | 0.771 | S | S | * | * | cis | 74.5 | 123.7 | 18.7 | -150.2 | -173.1 | -166.2 | -166.9 | 6.5 | 115.7 | ||||
| 593 | N | 26.9 | Very low | 32.4 | Very low | 159 Ų | 159 | 123.1 Ų | 123.1 | 85% | 0.85 | 77% | 0.768 | S | S | * | * | trans | 65.4 | 151.9 | 168.6 | -74.7 | 13.2 | 0 | 0 | 0 | 118.5 | ||||
| 594 | G | 27.5 | Very low | 32.8 | Very low | 69 Ų | 69 | 123.7 Ų | 123.7 | 71% | 0.711 | 78% | 0.78 | S | S | * | * | trans | 129.4 | 84 | 158.5 | 0 | 0 | 0 | 0 | 0 | 113.8 | ||||
| 595 | G | 29 | Very low | 32.9 | Very low | 72 Ų | 72 | 123.9 Ų | 123.9 | 74% | 0.742 | 77% | 0.773 | S | S | * | * | trans | -69.4 | 144.6 | 160.2 | 0 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 596 | I | 34 | Very low | 33.4 | Very low | 158 Ų | 158 | 126.3 Ų | 126.3 | 81% | 0.81 | 78% | 0.778 | S | S | * | * | trans | -127.2 | 103.7 | 165.4 | -14 | 179.5 | 0 | 0 | 0 | 102.5 | ||||
| 597 | N | 28.4 | Very low | 33.3 | Very low | 143 Ų | 143 | 130.1 Ų | 130.1 | 77% | 0.765 | 77% | 0.773 | S | S | * | * | 42.3 | 107.5 | 78.8 | -59.3 | -22.1 | 0 | 0 | 0 | 108.5 | |||||
| 598 | G | 28.5 | Very low | 33.4 | Very low | 76 Ų | 76 | 133 Ų | 133 | 78% | 0.784 | 78% | 0.779 | S | S | * | * | 77.9 | 139 | 76.1 | 0 | 0 | 0 | 0 | 0 | 109.1 | |||||
| 599 | H | 28.1 | Very low | 33.1 | Very low | 164 Ų | 164 | 135.5 Ų | 135.5 | 76% | 0.759 | 78% | 0.778 | S | S | * | * | cis | -177.6 | 125.8 | 11.8 | 175.3 | -70.4 | 0 | 0 | 0 | 107.1 | ||||
| 600 | T | 31 | Very low | 33.3 | Very low | 128 Ų | 128 | 137.8 Ų | 137.8 | 79% | 0.785 | 78% | 0.782 | S | S | * | * | trans | -175 | 95.4 | 164 | 21.4 | 0 | 0 | 0 | 0 | 108.9 | ||||
| 601 | T | 34 | Very low | 33.3 | Very low | 107 Ų | 107 | 136.3 Ų | 136.3 | 66% | 0.656 | 78% | 0.778 | S | S | * | * | 70.1 | 125.9 | 93.4 | 59.8 | 0 | 0 | 0 | 0 | 112.8 | |||||
| 602 | I | 38.9 | Very low | 33.6 | Very low | 163 Ų | 163 | 136.7 Ų | 136.7 | 84% | 0.836 | 78% | 0.78 | S | S | * | * | -150.7 | 157.1 | 53 | -80.1 | -177.4 | 0 | 0 | 0 | 110.3 | |||||
| 603 | P | 38.5 | Very low | 33.6 | Very low | 123 Ų | 123 | 131.2 Ų | 131.2 | 80% | 0.799 | 78% | 0.783 | S | S | * | * | trans | -118.9 | 180 | -132.7 | 44.1 | -37.8 | 0 | 0 | 0 | 118.2 | ||||
| 604 | G | 42.4 | Very low | 33.8 | Very low | 83 Ų | 83 | 126.9 Ų | 126.9 | 86% | 0.856 | 78% | 0.775 | S | S | * | * | trans | -175.9 | 79.3 | 168.3 | 0 | 0 | 0 | 0 | 0 | 113.2 | ||||
| 605 | D | 36.5 | Very low | 34 | Very low | 117 Ų | 117 | 130.5 Ų | 130.5 | 63% | 0.626 | 78% | 0.784 | S | S | * | * | trans | -81 | 147.9 | -173 | -114.6 | -55.7 | 0 | 0 | 0 | 114.9 | ||||
| 606 | N | 43.4 | Very low | 34 | Very low | 155 Ų | 155 | 131.4 Ų | 131.4 | 83% | 0.829 | 78% | 0.784 | S | S | * | * | 179.5 | 81.1 | 120.3 | -93.3 | -23.2 | 0 | 0 | 0 | 114.6 | |||||
| 607 | R | 33.1 | Very low | 33.8 | Very low | 202 Ų | 202 | 132.5 Ų | 132.5 | 76% | 0.762 | 79% | 0.791 | S | S | * | * | 22.7 | 115.4 | 120.6 | -112.5 | 174.5 | 177.5 | 151.7 | -2.3 | 119.3 | |||||
| 608 | L | 37.2 | Very low | 33.9 | Very low | 165 Ų | 165 | 129.5 Ų | 129.5 | 86% | 0.864 | 79% | 0.793 | S | S | * | * | 168.2 | 136 | 99.6 | -89.6 | 160.9 | 0 | 0 | 0 | 115 | |||||
| 609 | R | 32.3 | Very low | 33.9 | Very low | 226 Ų | 226 | 129.8 Ų | 129.8 | 85% | 0.853 | 79% | 0.788 | S | S | * | * | trans | -101.3 | 178.4 | 162.4 | -135.8 | -175.1 | 166.3 | -173.6 | -3.2 | 106.2 | ||||
| 610 | P | 37.8 | Very low | 33.8 | Very low | 103 Ų | 103 | 128.1 Ų | 128.1 | 67% | 0.669 | 79% | 0.79 | S | S | * | * | cis | -147 | -175.7 | 5.7 | 40.3 | -18 | 0 | 0 | 0 | 118.6 | ||||
| 611 | S | 30.8 | Very low | 33.6 | Very low | 110 Ų | 110 | 126.9 Ų | 126.9 | 77% | 0.769 | 79% | 0.787 | S | S | * | * | trans | 111.6 | 150.2 | 141.3 | -66.4 | 0 | 0 | 0 | 0 | 119.1 | ||||
| 612 | P | 39.6 | Very low | 33.3 | Very low | 123 Ų | 123 | 129.9 Ų | 129.9 | 80% | 0.799 | 80% | 0.797 | S | S | * | * | trans | -122.7 | 143.9 | -157.6 | 39 | -23.2 | 0 | 0 | 0 | 115.4 | ||||
| 613 | A | 28.6 | Very low | 32.6 | Very low | 110 Ų | 110 | 125 Ų | 125 | 91% | 0.909 | 79% | 0.787 | S | S | * | * | trans | -174.4 | 155.5 | 152.1 | 0 | 0 | 0 | 0 | 0 | 109.2 | ||||
| 614 | G | 30.6 | Very low | 32 | Very low | 68 Ų | 68 | 130.6 Ų | 130.6 | 70% | 0.701 | 79% | 0.793 | S | S | * | * | trans | 114 | 76.5 | 164.3 | 0 | 0 | 0 | 0 | 0 | 116.8 | ||||
| 615 | T | 31.1 | Very low | 31.3 | Very low | 145 Ų | 145 | 132 Ų | 132 | 89% | 0.89 | 79% | 0.791 | S | S | * | * | 50.8 | 138.2 | 127.3 | -35 | 0 | 0 | 0 | 0 | 122 | |||||
| 616 | A | 28.9 | Very low | 31 | Very low | 90 Ų | 90 | 131.6 Ų | 131.6 | 74% | 0.744 | 80% | 0.797 | S | S | * | * | trans | 76.7 | 86.9 | 160.3 | 0 | 0 | 0 | 0 | 0 | 118.9 | ||||
| 617 | L | 29.7 | Very low | 30.4 | Very low | 182 Ų | 182 | 131.1 Ų | 131.1 | 95% | 0.953 | 80% | 0.799 | S | S | * | * | trans | -61.1 | 137.2 | 137.3 | -80.7 | 153.8 | 0 | 0 | 0 | 109.4 | ||||
| 618 | G | 29.8 | Very low | 30.2 | Very low | 79 Ų | 79 | 129.2 Ų | 129.2 | 81% | 0.814 | 80% | 0.804 | S | S | * | * | trans | -152.2 | 66.5 | 178.1 | 0 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 619 | A | 28.8 | Very low | 29.9 | Very low | 83 Ų | 83 | 124.5 Ų | 124.5 | 69% | 0.686 | 80% | 0.795 | S | S | * | * | trans | -85.7 | 142.8 | 173.2 | 0 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 620 | T | 26.8 | Very low | 29.9 | Very low | 128 Ų | 128 | 119.5 Ų | 119.5 | 79% | 0.785 | 79% | 0.79 | S | S | * | * | S | Bend | trans | 63.4 | 123.4 | 159.9 | 55.9 | 0 | 0 | 0 | 0 | 120.1 | ||
| 621 | S | 27.2 | Very low | 29.5 | Very low | 103 Ų | 103 | 121.7 Ų | 121.7 | 72% | 0.72 | 80% | 0.796 | S | S | * | * | trans | 79.4 | 157.7 | 149.3 | 79.2 | 0 | 0 | 0 | 0 | 120.1 | ||||
| 622 | I | 26.1 | Very low | 29.5 | Very low | 170 Ų | 170 | 121.2 Ų | 121.2 | 87% | 0.872 | 79% | 0.793 | S | S | * | * | trans | 82.2 | 134.2 | 166.3 | -53.8 | 153.8 | 0 | 0 | 0 | 116.4 | ||||
| 623 | G | 25.9 | Very low | 29.1 | Very low | 60 Ų | 60 | 123.4 Ų | 123.4 | 62% | 0.619 | 79% | 0.794 | S | S | * | * | trans | 126.1 | 91 | 142.4 | 0 | 0 | 0 | 0 | 0 | 117 | S625 | G623-S625 PolarHBondContact O-N 2.93Š| ||
| 624 | Y | 25.9 | Very low | 29.2 | Very low | 240 Ų | 240 | 126.2 Ų | 126.2 | 94% | 0.941 | 79% | 0.794 | S | S | * | * | trans | -60.3 | 130.4 | 142.4 | -78.2 | -97.8 | 0 | 0 | 0 | 107.7 | ||||
| 625 | S | 26.5 | Very low | 29.2 | Very low | 114 Ų | 114 | 126.2 Ų | 126.2 | 80% | 0.797 | 79% | 0.794 | S | S | * | * | trans | -154.6 | 121.6 | 167.9 | -78.7 | 0 | 0 | 0 | 0 | 111.8 | G623 | G623-S625 PolarHBondContact O-N 2.93Š| ||
| 626 | S | 30.7 | Very low | 29.2 | Very low | 108 Ų | 108 | 123 Ų | 123 | 76% | 0.755 | 79% | 0.79 | S | S | * | * | trans | -54.6 | 152.6 | 154.3 | 52.5 | 0 | 0 | 0 | 0 | 112 | ||||
| 627 | V | 31.7 | Very low | 29.5 | Very low | 144 Ų | 144 | 125.1 Ų | 125.1 | 87% | 0.873 | 79% | 0.789 | S | S | * | * | -155.1 | 155.5 | 108.9 | -148 | 0 | 0 | 0 | 0 | 110.9 | |||||
| 628 | N | 28.9 | Very low | 29.8 | Very low | 162 Ų | 162 | 121.9 Ų | 121.9 | 87% | 0.866 | 77% | 0.772 | S | S | * | * | trans | -60.1 | 158.4 | 169.9 | -82 | -34.7 | 0 | 0 | 0 | 115.7 | ||||
| 629 | G | 29.6 | Very low | 30.2 | Very low | 66 Ų | 66 | 124.1 Ų | 124.1 | 68% | 0.68 | 77% | 0.766 | S | S | * | * | trans | 89.4 | 148.4 | 149.9 | 0 | 0 | 0 | 0 | 0 | 115.7 | ||||
| 630 | T | 32.3 | Very low | 30.5 | Very low | 122 Ų | 122 | 127.3 Ų | 127.3 | 75% | 0.748 | 77% | 0.771 | S | S | * | * | cis | -165.4 | 155.8 | -3.1 | 3.3 | 0 | 0 | 0 | 0 | 108.6 | ||||
| 631 | N | 30.7 | Very low | 30.8 | Very low | 148 Ų | 148 | 124.8 Ų | 124.8 | 79% | 0.791 | 77% | 0.77 | S | S | * | * | trans | 52 | 115.4 | 151.9 | -50.9 | -16.6 | 0 | 0 | 0 | 118.8 | ||||
| 632 | S | 30.7 | Very low | 31.2 | Very low | 100 Ų | 100 | 125.8 Ų | 125.8 | 70% | 0.699 | 78% | 0.775 | S | S | * | * | 158 | 133 | 83.6 | -158.5 | 0 | 0 | 0 | 0 | 113.7 | |||||
| 633 | M | 30.4 | Very low | 31.7 | Very low | 169 Ų | 169 | 125.8 Ų | 125.8 | 83% | 0.833 | 78% | 0.775 | S | S | * | * | trans | 51.2 | 107.4 | 143.7 | -69.1 | -180 | -174.7 | 0 | 0 | 121.7 | ||||
| 634 | N | 31 | Very low | 31.9 | Very low | 169 Ų | 169 | 130.2 Ų | 130.2 | 90% | 0.904 | 78% | 0.784 | S | S | * | * | 80.6 | 145.9 | 108.4 | -159.4 | 19.2 | 0 | 0 | 0 | 118.4 | |||||
| 635 | G | 29.7 | Very low | 32.4 | Very low | 68 Ų | 68 | 125.6 Ų | 125.6 | 70% | 0.701 | 78% | 0.781 | S | S | * | * | trans | 159.9 | -3.9 | 165.4 | 0 | 0 | 0 | 0 | 0 | 121.6 | ||||
| 636 | G | 32 | Very low | 32.4 | Very low | 78 Ų | 78 | 128.8 Ų | 128.8 | 80% | 0.804 | 78% | 0.783 | S | S | * | * | trans | 58.1 | -167.4 | 173.7 | 0 | 0 | 0 | 0 | 0 | 115.5 | ||||
| 637 | N | 35.5 | Very low | 32.5 | Very low | 135 Ų | 135 | 132 Ų | 132 | 72% | 0.722 | 79% | 0.791 | S | S | * | * | cis | -158.5 | 167.8 | -16.4 | -161.9 | 7.1 | 0 | 0 | 0 | 108.1 | ||||
| 638 | N | 36.5 | Very low | 32.6 | Very low | 114 Ų | 114 | 130.3 Ų | 130.3 | 61% | 0.61 | 79% | 0.786 | S | S | * | * | trans | 66 | 135.3 | 159.4 | -58.7 | -27.6 | 0 | 0 | 0 | 117.6 | ||||
| 639 | N | 36.3 | Very low | 32.8 | Very low | 125 Ų | 125 | 128.1 Ų | 128.1 | 67% | 0.668 | 78% | 0.78 | S | S | * | * | cis | -179 | 161.5 | 10.2 | -109.3 | -12.7 | 0 | 0 | 0 | 110.6 | ||||
| 640 | N | 36.9 | Very low | 33 | Very low | 150 Ų | 150 | 130.6 Ų | 130.6 | 80% | 0.802 | 78% | 0.784 | S | S | * | * | trans | 76.5 | 105.5 | 151.4 | -60.2 | -8.2 | 0 | 0 | 0 | 121.4 | ||||
| 641 | G | 31.8 | Very low | 32.8 | Very low | 75 Ų | 75 | 132.3 Ų | 132.3 | 77% | 0.773 | 79% | 0.789 | S | S | * | * | 117.1 | 101.1 | 95.1 | 0 | 0 | 0 | 0 | 0 | 118 | |||||
| 642 | P | 35.6 | Very low | 32.8 | Very low | 124 Ų | 124 | 134.6 Ų | 134.6 | 81% | 0.805 | 79% | 0.792 | S | S | * | * | trans | -99.8 | 153.1 | 175.1 | 37.6 | -32.2 | 0 | 0 | 0 | 113.4 | ||||
| 643 | I | 36.6 | Very low | 32.7 | Very low | 171 Ų | 171 | 138.7 Ų | 138.7 | 88% | 0.877 | 80% | 0.8 | S | S | * | * | trans | -136.8 | 130.4 | 164.7 | -63.6 | -176.1 | 0 | 0 | 0 | 110.3 | ||||
| 644 | N | 30.8 | Very low | 32.8 | Very low | 153 Ų | 153 | 137.4 Ų | 137.4 | 82% | 0.818 | 80% | 0.802 | S | S | * | * | trans | -82.4 | 151.8 | 174.2 | -67.2 | -41.3 | 0 | 0 | 0 | 111.9 | ||||
| 645 | T | 35.5 | Very low | 32.5 | Very low | 142 Ų | 142 | 135.8 Ų | 135.8 | 87% | 0.871 | 79% | 0.793 | S | S | * | * | trans | -157.8 | 133.7 | 135.5 | 12 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 646 | Q | 28.2 | Very low | 32.5 | Very low | 181 Ų | 181 | 139.3 Ų | 139.3 | 85% | 0.846 | 80% | 0.795 | S | S | * | * | trans | -75.9 | 147.8 | 169.9 | -62.9 | 165.5 | -78.3 | 0 | 0 | 110.5 | ||||
| 647 | L | 32.5 | Very low | 32.3 | Very low | 175 Ų | 175 | 144 Ų | 144 | 92% | 0.916 | 80% | 0.796 | S | S | * | * | trans | -159.5 | 121.2 | 146 | -101.3 | 138.1 | 0 | 0 | 0 | 109.9 | ||||
| 648 | S | 32.5 | Very low | 31.8 | Very low | 110 Ų | 110 | 141.4 Ų | 141.4 | 77% | 0.769 | 80% | 0.801 | S | S | * | * | P | Polyproline II helix | trans | -93.2 | 168.9 | 177.2 | -63.5 | 0 | 0 | 0 | 0 | 110.5 | ||
| 649 | P | 33 | Very low | 31.5 | Very low | 115 Ų | 115 | 142.6 Ų | 142.6 | 75% | 0.747 | 81% | 0.812 | S | S | * | * | P | Polyproline II helix | trans | -103.2 | 167.3 | -132.8 | 38.9 | -38.8 | 0 | 0 | 0 | 115.6 | ||
| 650 | P | 34.5 | Very low | 31.1 | Very low | 118 Ų | 118 | 142.6 Ų | 142.6 | 77% | 0.766 | 82% | 0.816 | S | S | * | * | P | Polyproline II helix | trans | -92.8 | 139.6 | 154.6 | 34.6 | -27.8 | 0 | 0 | 0 | 111.7 | ||
| 651 | N | 28.7 | Very low | 30.9 | Very low | 159 Ų | 159 | 140.9 Ų | 140.9 | 85% | 0.85 | 81% | 0.814 | S | S | * | * | P | Polyproline II helix | trans | -62.9 | 138 | 167.5 | -70.1 | -64.9 | 0 | 0 | 0 | 110.8 | ||
| 652 | F | 30.5 | Very low | 30.8 | Very low | 195 Ų | 195 | 144 Ų | 144 | 86% | 0.855 | 81% | 0.81 | S | S | * | * | trans | -142.3 | 121.8 | 156.2 | -116.7 | -86.6 | 0 | 0 | 0 | 110.8 | ||||
| 653 | Q | 27.5 | Very low | 30.7 | Very low | 186 Ų | 186 | 145.4 Ų | 145.4 | 87% | 0.869 | 81% | 0.809 | S | S | * | * | trans | -77.8 | 135 | 170.7 | -64.4 | 176 | -81.4 | 0 | 0 | 109.3 | ||||
| 654 | V | 32.5 | Very low | 30.5 | Very low | 143 Ų | 143 | 142.7 Ų | 142.7 | 87% | 0.867 | 80% | 0.802 | S | S | * | * | trans | -124.9 | 119.3 | 153.6 | -178.5 | 0 | 0 | 0 | 0 | 107.4 | ||||
| 655 | N | 26.3 | Very low | 30.5 | Very low | 135 Ų | 135 | 138.4 Ų | 138.4 | 72% | 0.722 | 80% | 0.795 | S | S | * | * | trans | -98.5 | 131.5 | 178.5 | -176.5 | 13.3 | 0 | 0 | 0 | 107.3 | ||||
| 656 | L | 28.8 | Very low | 30.3 | Very low | 142 Ų | 142 | 135 Ų | 135 | 74% | 0.743 | 79% | 0.787 | S | S | * | * | trans | 176.7 | 149 | 135.7 | -114.8 | 67.5 | 0 | 0 | 0 | 113.7 | ||||
| 657 | H | 28.7 | Very low | 30.2 | Very low | 177 Ų | 177 | 136.6 Ų | 136.6 | 82% | 0.819 | 79% | 0.787 | S | S | * | * | trans | 69.6 | 109.3 | 166.6 | -79.5 | -111.5 | 0 | 0 | 0 | 118.2 | ||||
| 658 | G | 25.2 | Very low | 30.1 | Very low | 80 Ų | 80 | 133.7 Ų | 133.7 | 83% | 0.825 | 78% | 0.779 | S | S | * | * | trans | -90.4 | 150.6 | -167.4 | 0 | 0 | 0 | 0 | 0 | 115.2 | ||||
| 659 | T | 30.2 | Very low | 30 | Very low | 138 Ų | 138 | 134.5 Ų | 134.5 | 85% | 0.847 | 78% | 0.779 | S | S | * | * | trans | -111.1 | 111.8 | 170.3 | 39.7 | 0 | 0 | 0 | 0 | 109.4 | ||||
| 660 | V | 27.5 | Very low | 29.8 | Very low | 125 Ų | 125 | 137 Ų | 137 | 76% | 0.758 | 79% | 0.785 | S | S | * | * | trans | -70.6 | 126.8 | 173.5 | 176.6 | 0 | 0 | 0 | 0 | 108.9 | M662 | V660-M662 PolarHBondContact O-N 3.13Å; V660-M662 VanDerWaalsContact O-N 3.15Å | ||
| 661 | P | 32.8 | Very low | 29.7 | Very low | 114 Ų | 114 | 138.6 Ų | 138.6 | 74% | 0.74 | 79% | 0.785 | S | S | * | * | trans | -72.9 | 105.2 | 170.1 | 29.6 | -31.7 | 0 | 0 | 0 | 109 | I663 | P661-I663 PolarHBondContact O-N 2.85Š| ||
| 662 | M | 28.5 | Very low | 29.8 | Very low | 140 Ų | 140 | 139.5 Ų | 139.5 | 69% | 0.69 | 79% | 0.785 | S | S | * | * | P | Polyproline II helix | trans | -74.7 | 121.9 | 175.1 | -69.8 | -140.4 | -81.3 | 0 | 0 | 110.7 | V660 P664 M784 | V660-M662 PolarHBondContact O-N 3.13Å; V660-M662 VanDerWaalsContact O-N 3.15Å; M662-P664 WeakPolarHBondContact O-CD 3.25Å; M662-M784 HydrophobicContact CE-SD 4.26Å; M662-M784 HydrophobicContact SD-CE 4.49Å; M662-M784 HydrophobicContact SD-SD 4.28Å |
| 663 | I | 33.5 | Very low | 29.6 | Very low | 154 Ų | 154 | 135.7 Ų | 135.7 | 79% | 0.79 | 78% | 0.782 | S | S | * | * | P | Polyproline II helix | trans | -88.4 | 119.3 | 174.9 | -58.9 | 170.6 | 0 | 0 | 0 | 108.2 | P661 | P661-I663 PolarHBondContact O-N 2.85Š|
| 664 | P | 32.4 | Very low | 29.9 | Very low | 114 Ų | 114 | 134.5 Ų | 134.5 | 74% | 0.74 | 78% | 0.78 | S | S | * | * | S | Bend | trans | -74.2 | 130.1 | 174.6 | -16.7 | 32 | 0 | 0 | 0 | 112.2 | M662 | M662-P664 WeakPolarHBondContact O-CD 3.25Š|
| 665 | G | 31.1 | Very low | 29.7 | Very low | 64 Ų | 64 | 131.2 Ų | 131.2 | 66% | 0.66 | 78% | 0.775 | S | S | * | * | trans | 93.2 | 10.1 | 153 | 0 | 0 | 0 | 0 | 0 | 119.8 | Y667 | G665-Y667 PolarHBondContact O-N 3.41Š| ||
| 666 | G | 30.5 | Very low | 29.8 | Very low | 69 Ų | 69 | 128.7 Ų | 128.7 | 71% | 0.711 | 78% | 0.781 | S | S | * | * | trans | -86.1 | 99.2 | 178 | 0 | 0 | 0 | 0 | 0 | 114.5 | ||||
| 667 | Y | 27.9 | Very low | 29.8 | Very low | 215 Ų | 215 | 127 Ų | 127 | 84% | 0.843 | 78% | 0.781 | S | S | * | * | trans | -74.8 | 126.2 | 169.2 | -74.6 | -89.9 | 0 | 0 | 0 | 111.5 | G665 V669 | G665-Y667 PolarHBondContact O-N 3.41Å; Y667-V669 PolarHBondContact O-N 3.42Å | ||
| 668 | P | 29.8 | Very low | 30 | Very low | 115 Ų | 115 | 126.6 Ų | 126.6 | 75% | 0.747 | 78% | 0.779 | S | S | * | * | trans | -79.7 | 112.7 | 166.6 | 31 | -30.6 | 0 | 0 | 0 | 110.1 | L670 | P668-L670 PolarHBondContact O-N 2.8Š| ||
| 669 | V | 31.1 | Very low | 30.2 | Very low | 126 Ų | 126 | 131.4 Ų | 131.4 | 76% | 0.764 | 78% | 0.781 | S | S | * | * | trans | -73 | 112.8 | 167.5 | 176.2 | 0 | 0 | 0 | 0 | 108.4 | Y667 I671 | Y667-V669 PolarHBondContact O-N 3.42Å; V669-I671 PolarHBondContact O-N 2.81Å | ||
| 670 | L | 28.5 | Very low | 30.1 | Very low | 167 Ų | 167 | 131 Ų | 131 | 87% | 0.874 | 78% | 0.78 | S | S | * | * | trans | -69 | 97.1 | 169.7 | -81.9 | 164.1 | 0 | 0 | 0 | 109.7 | P668 Q672 | P668-L670 PolarHBondContact O-N 2.8Å; L670-Q672 PolarHBondContact O-N 2.74Å | ||
| 671 | I | 32 | Very low | 30.4 | Very low | 152 Ų | 152 | 130 Ų | 130 | 78% | 0.779 | 79% | 0.785 | S | S | * | * | trans | -69.6 | 122.8 | 163.2 | -61.7 | 177.2 | 0 | 0 | 0 | 107.5 | V669 S673 | V669-I671 PolarHBondContact O-N 2.81Å; I671-S673 PolarHBondContact O-N 2.69Å | ||
| 672 | Q | 30.3 | Very low | 30.4 | Very low | 178 Ų | 178 | 130.1 Ų | 130.1 | 83% | 0.832 | 79% | 0.789 | S | S | * | * | trans | -63.2 | 116.3 | 175.1 | -76.7 | 175.9 | -48.4 | 0 | 0 | 110.2 | L670 I674 | L670-Q672 PolarHBondContact O-N 2.74Å; Q672-I674 PolarHBondContact O-N 2.93Å | ||
| 673 | S | 26.1 | Very low | 30.5 | Very low | 116 Ų | 116 | 128.1 Ų | 128.1 | 81% | 0.811 | 79% | 0.788 | S | S | * | * | trans | -70.9 | 114.4 | 168.4 | -178.9 | 0 | 0 | 0 | 0 | 109.7 | I671 | I671-S673 PolarHBondContact O-N 2.69Š| ||
| 674 | I | 33.4 | Very low | 30.6 | Very low | 161 Ų | 161 | 125.9 Ų | 125.9 | 83% | 0.826 | 78% | 0.784 | S | S | * | * | trans | -111.2 | 124.1 | 154.2 | -64.3 | 179.7 | 0 | 0 | 0 | 105.6 | Q672 | Q672-I674 PolarHBondContact O-N 2.93Š| ||
| 675 | G | 28.1 | Very low | 30.4 | Very low | 74 Ų | 74 | 129.1 Ų | 129.1 | 76% | 0.763 | 79% | 0.787 | S | S | * | * | trans | -71.7 | 151.2 | -161.9 | 0 | 0 | 0 | 0 | 0 | 115.3 | ||||
| 676 | G | 29.5 | Very low | 30.2 | Very low | 81 Ų | 81 | 136.7 Ų | 136.7 | 84% | 0.835 | 80% | 0.797 | S | S | * | * | trans | -168.6 | 105.5 | 172.2 | 0 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 677 | S | 28.8 | Very low | 30 | Very low | 106 Ų | 106 | 138.2 Ų | 138.2 | 74% | 0.741 | 80% | 0.797 | S | S | * | * | trans | -77 | 135.2 | -175.4 | 53 | 0 | 0 | 0 | 0 | 113.3 | ||||
| 678 | Q | 31.9 | Very low | 30.3 | Very low | 169 Ų | 169 | 134.1 Ų | 134.1 | 79% | 0.79 | 79% | 0.794 | S | S | * | * | 170.2 | 124.7 | 116.1 | -92.3 | 171.5 | 7.3 | 0 | 0 | 114.3 | |||||
| 679 | Q | 30.2 | Very low | 30.4 | Very low | 182 Ų | 182 | 134.4 Ų | 134.4 | 85% | 0.85 | 80% | 0.795 | S | S | * | * | trans | 46.9 | 137.3 | 149.5 | -81.5 | 157.8 | -75.6 | 0 | 0 | 124.2 | ||||
| 680 | P | 29 | Very low | 30.1 | Very low | 128 Ų | 128 | 135.5 Ų | 135.5 | 83% | 0.831 | 79% | 0.792 | S | S | * | * | trans | -98.4 | 163.2 | 176.9 | 39.9 | -35.3 | 0 | 0 | 0 | 114.2 | ||||
| 681 | A | 32.5 | Very low | 30.4 | Very low | 106 Ų | 106 | 132.3 Ų | 132.3 | 88% | 0.876 | 79% | 0.79 | S | S | * | * | trans | -134.1 | 157.8 | 163.5 | 0 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 682 | S | 33.4 | Very low | 30.1 | Very low | 116 Ų | 116 | 135.5 Ų | 135.5 | 81% | 0.811 | 79% | 0.793 | S | S | * | * | trans | -99.3 | 165.8 | -152.3 | 51.2 | 0 | 0 | 0 | 0 | 117.8 | ||||
| 683 | S | 30.3 | Very low | 30.2 | Very low | 97 Ų | 97 | 132.6 Ų | 132.6 | 68% | 0.678 | 79% | 0.792 | S | S | * | * | trans | -40.3 | -179.1 | 159.7 | 60.7 | 0 | 0 | 0 | 0 | 116.1 | ||||
| 684 | P | 36.6 | Very low | 30.4 | Very low | 108 Ų | 108 | 135 Ų | 135 | 70% | 0.701 | 79% | 0.794 | S | S | * | * | cis | -150.5 | 166.6 | 25 | 36.2 | -10.8 | 0 | 0 | 0 | 122.4 | ||||
| 685 | F | 26.8 | Very low | 30.3 | Very low | 182 Ų | 182 | 132.8 Ų | 132.8 | 80% | 0.798 | 79% | 0.793 | S | S | * | * | trans | 23.3 | 138.8 | 144.3 | -70.1 | -92.1 | 0 | 0 | 0 | 123.1 | ||||
| 686 | Y | 28 | Very low | 30.3 | Very low | 223 Ų | 223 | 134.3 Ų | 134.3 | 88% | 0.875 | 79% | 0.788 | S | S | * | * | trans | -139.6 | 134.4 | 130.6 | -114.1 | -83.6 | 0 | 0 | 0 | 111.6 | V688 | Y686-V688 HydrophobicContact CD1-CG2 4.46Š| ||
| 687 | S | 26.2 | Very low | 30.3 | Very low | 101 Ų | 101 | 141.5 Ų | 141.5 | 71% | 0.706 | 79% | 0.792 | S | S | * | * | trans | -130.9 | 137.6 | 172 | 53 | 0 | 0 | 0 | 0 | 108.6 | ||||
| 688 | V | 33.1 | Very low | 30.2 | Very low | 129 Ų | 129 | 139.4 Ų | 139.4 | 78% | 0.782 | 79% | 0.787 | S | S | * | * | trans | -125.8 | 136.5 | -178.1 | -177.9 | 0 | 0 | 0 | 0 | 109.6 | Y686 | Y686-V688 HydrophobicContact CD1-CG2 4.46Š| ||
| 689 | P | 32.2 | Very low | 30.1 | Very low | 120 Ų | 120 | 140.3 Ų | 140.3 | 78% | 0.779 | 79% | 0.791 | S | S | * | * | trans | -94.5 | 168.1 | -164.2 | 36.3 | -35.6 | 0 | 0 | 0 | 115.6 | ||||
| 690 | E | 26.1 | Very low | 29.9 | Very low | 149 Ų | 149 | 139.4 Ų | 139.4 | 70% | 0.696 | 79% | 0.792 | S | S | * | * | trans | -66.3 | 144.4 | 176 | -173.6 | 179.9 | 175.4 | 0 | 0 | 112.7 | R692 | E690-R692 IonicContact OE1-CZ 3.53Å; E690-R692 IonicContact OE1-NE 2.93Å; E690-R692 PolarHBondContact OE1-NE 2.91Å; E690-R692 IonicContact OE1-NH2 3.41Å; E690-R692 PolarHBondContact OE1-NH2 2.84Å | ||
| 691 | A | 33.6 | Very low | 30 | Very low | 101 Ų | 101 | 139.3 Ų | 139.3 | 84% | 0.835 | 79% | 0.789 | S | S | * | * | trans | -131 | 125.3 | 169.8 | 0 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 692 | R | 26.1 | Very low | 29.6 | Very low | 219 Ų | 219 | 139.7 Ų | 139.7 | 83% | 0.826 | 79% | 0.786 | S | S | * | * | trans | -122.4 | 125.6 | 174.7 | -70.7 | -176.7 | -176.9 | -168.8 | -3.3 | 111.3 | E690 | E690-R692 IonicContact OE1-CZ 3.53Å; E690-R692 IonicContact OE1-NE 2.93Å; E690-R692 PolarHBondContact OE1-NE 2.91Å; E690-R692 IonicContact OE1-NH2 3.41Å; E690-R692 PolarHBondContact OE1-NH2 2.84Å | ||
| 693 | S | 33.2 | Very low | 29.5 | Very low | 116 Ų | 116 | 139.5 Ų | 139.5 | 81% | 0.811 | 78% | 0.781 | S | S | * | * | trans | -170.5 | 103 | 156.8 | 51.4 | 0 | 0 | 0 | 0 | 107.6 | ||||
| 694 | L | 28.6 | Very low | 29.4 | Very low | 166 Ų | 166 | 141 Ų | 141 | 87% | 0.869 | 79% | 0.786 | S | S | * | * | 80.7 | 95.7 | 65.1 | -164 | 88.9 | 0 | 0 | 0 | 114.1 | |||||
| 695 | S | 32.4 | Very low | 28.9 | Very low | 115 Ų | 115 | 141.5 Ų | 141.5 | 80% | 0.804 | 79% | 0.788 | S | S | * | * | trans | 166.6 | 156.4 | 136.9 | 40 | 0 | 0 | 0 | 0 | 109.4 | ||||
| 696 | T | 26.8 | Very low | 29 | Very low | 106 Ų | 106 | 139.8 Ų | 139.8 | 65% | 0.65 | 79% | 0.792 | S | S | * | * | cis | 163.8 | 143.7 | -30.6 | -73.8 | 0 | 0 | 0 | 0 | 104.2 | ||||
| 697 | Y | 29.5 | Very low | 29.1 | Very low | 232 Ų | 232 | 132.8 Ų | 132.8 | 91% | 0.91 | 79% | 0.787 | S | S | * | * | trans | 72 | 140 | -172.3 | -63.5 | -86.2 | 0 | 0 | 0 | 115.5 | ||||
| 698 | G | 26.8 | Very low | 29.2 | Very low | 63 Ų | 63 | 135.1 Ų | 135.1 | 65% | 0.649 | 79% | 0.792 | S | S | * | * | cis | 161.8 | 158.7 | -8 | 0 | 0 | 0 | 0 | 0 | 113.4 | ||||
| 699 | Q | 31.2 | Very low | 29.1 | Very low | 187 Ų | 187 | 136 Ų | 136 | 87% | 0.874 | 79% | 0.793 | S | S | * | * | trans | 86.2 | 123.3 | 169.8 | -53.9 | -161.7 | -1.2 | 0 | 0 | 119.9 | ||||
| 700 | N | 25.2 | Very low | 29 | Very low | 163 Ų | 163 | 134.5 Ų | 134.5 | 87% | 0.872 | 78% | 0.784 | S | S | * | * | trans | -73.5 | 136.7 | 161.9 | -64.8 | -36.9 | 0 | 0 | 0 | 110.4 | ||||
| 701 | V | 31.8 | Very low | 29.1 | Very low | 126 Ų | 126 | 135.1 Ų | 135.1 | 76% | 0.764 | 79% | 0.788 | S | S | * | * | trans | -144.6 | 117 | 153.5 | -174 | 0 | 0 | 0 | 0 | 109.2 | ||||
| 702 | S | 24.6 | Very low | 28.6 | Very low | 115 Ų | 115 | 139.6 Ų | 139.6 | 80% | 0.804 | 79% | 0.789 | S | S | * | * | trans | -89.8 | 152.8 | 162.4 | -55.2 | 0 | 0 | 0 | 0 | 109.6 | ||||
| 703 | P | 30.9 | Very low | 28.6 | Very low | 111 Ų | 111 | 136.6 Ų | 136.6 | 72% | 0.721 | 79% | 0.787 | S | S | * | * | trans | -143.3 | 133.8 | 130.2 | 31.8 | -15 | 0 | 0 | 0 | 116.3 | ||||
| 704 | V | 27.5 | Very low | 28.2 | Very low | 129 Ų | 129 | 141 Ų | 141 | 78% | 0.782 | 80% | 0.797 | S | S | * | * | 47.5 | 101.8 | 125.9 | -167.5 | 0 | 0 | 0 | 0 | 120 | |||||
| 705 | T | 26.2 | Very low | 27.9 | Very low | 119 Ų | 119 | 135.8 Ų | 135.8 | 73% | 0.73 | 78% | 0.784 | S | S | * | * | 19.9 | 125.3 | 126.4 | -30.4 | 0 | 0 | 0 | 0 | 120.7 | |||||
| 706 | T | 28.3 | Very low | 27.6 | Very low | 146 Ų | 146 | 137.9 Ų | 137.9 | 90% | 0.896 | 79% | 0.786 | S | S | * | * | 172 | 146.7 | 117.3 | 30.3 | 0 | 0 | 0 | 0 | 112 | |||||
| 707 | G | 30 | Very low | 27.6 | Very low | 75 Ų | 75 | 140.5 Ų | 140.5 | 77% | 0.773 | 79% | 0.793 | S | S | * | * | trans | 133.6 | 101.6 | 167.3 | 0 | 0 | 0 | 0 | 0 | 115 | ||||
| 708 | N | 28.3 | Very low | 27.6 | Very low | 151 Ų | 151 | 136.3 Ų | 136.3 | 81% | 0.807 | 79% | 0.786 | S | S | * | * | trans | -73.6 | 155.3 | 175.1 | -61.1 | -28.9 | 0 | 0 | 0 | 112 | ||||
| 709 | N | 32.7 | Very low | 27.6 | Very low | 148 Ų | 148 | 138.4 Ų | 138.4 | 79% | 0.791 | 79% | 0.787 | S | S | * | * | 173 | 116.3 | 116.8 | -80.8 | -14.9 | 0 | 0 | 0 | 114 | |||||
| 710 | S | 29.8 | Very low | 27.6 | Very low | 87 Ų | 87 | 137.6 Ų | 137.6 | 61% | 0.608 | 79% | 0.788 | S | S | * | * | trans | 46.6 | 103.5 | 149.6 | 60.2 | 0 | 0 | 0 | 0 | 121.8 | ||||
| 711 | E | 26.8 | Very low | 27.8 | Very low | 163 Ų | 163 | 135.1 Ų | 135.1 | 76% | 0.762 | 78% | 0.779 | S | S | * | * | 57.5 | 100.9 | 122.6 | -64 | 174.3 | 162.7 | 0 | 0 | 120.2 | |||||
| 712 | F | 24.6 | Very low | 27.7 | Very low | 195 Ų | 195 | 136.1 Ų | 136.1 | 86% | 0.855 | 78% | 0.778 | S | S | * | * | -173.8 | 101.2 | 89.3 | -103 | -79.4 | 0 | 0 | 0 | 108.7 | |||||
| 713 | I | 25 | Very low | 27.8 | Very low | 156 Ų | 156 | 136.4 Ų | 136.4 | 80% | 0.8 | 77% | 0.77 | S | S | * | * | trans | -126.5 | 112.1 | 174 | -63 | 177.6 | 0 | 0 | 0 | 107.3 | G715 | I713-G715 PolarHBondContact O-N 3.29Š| ||
| 714 | M | 24.4 | Very low | 27.7 | Very low | 207 Ų | 207 | 137.2 Ų | 137.2 | 100% | 1.02 | 77% | 0.769 | S | S | * | * | S | Bend | trans | -82 | 73.7 | 171.9 | -156.2 | 180 | -61.1 | 0 | 0 | 109.3 | ||
| 715 | G | 23.9 | Very low | 27.6 | Very low | 58 Ų | 58 | 135.1 Ų | 135.1 | 60% | 0.598 | 76% | 0.76 | S | S | * | * | trans | -168.2 | 89 | -178.3 | 0 | 0 | 0 | 0 | 0 | 109.2 | I713 | I713-G715 PolarHBondContact O-N 3.29Š| ||
| 716 | N | 25.6 | Very low | 27.6 | Very low | 158 Ų | 158 | 136.1 Ų | 136.1 | 85% | 0.845 | 76% | 0.76 | S | S | * | * | trans | -126.9 | 101.4 | 175.4 | -159.5 | 16.2 | 0 | 0 | 0 | 110.1 | ||||
| 717 | M | 26.6 | Very low | 27.4 | Very low | 161 Ų | 161 | 135.5 Ų | 135.5 | 79% | 0.793 | 75% | 0.752 | S | S | * | * | trans | -93.8 | 164.5 | 160.4 | -68.2 | -173.7 | -173.8 | 0 | 0 | 109.4 | ||||
| 718 | N | 29.6 | Very low | 27.2 | Very low | 144 Ų | 144 | 139 Ų | 139 | 77% | 0.77 | 75% | 0.751 | S | S | * | * | trans | 79.8 | 152.6 | 167.1 | -47.2 | -40.9 | 0 | 0 | 0 | 114.6 | ||||
| 719 | T | 27.3 | Very low | 26.9 | Very low | 108 Ų | 108 | 135.6 Ų | 135.6 | 66% | 0.663 | 74% | 0.744 | S | S | * | * | cis | -137.9 | 140.3 | 16.9 | 49.5 | 0 | 0 | 0 | 0 | 113.4 | ||||
| 720 | N | 30.3 | Very low | 26.5 | Very low | 169 Ų | 169 | 133.5 Ų | 133.5 | 90% | 0.904 | 74% | 0.739 | S | S | * | * | -147.8 | 94.8 | 124.1 | -110.3 | -7.8 | 0 | 0 | 0 | 109.7 | |||||
| 721 | T | 30.3 | Very low | 26.3 | Very low | 111 Ų | 111 | 139.7 Ų | 139.7 | 68% | 0.681 | 75% | 0.751 | S | S | * | * | trans | -60.6 | 168.7 | 170 | 7.3 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 722 | M | 28.6 | Very low | 26.5 | Very low | 148 Ų | 148 | 137.1 Ų | 137.1 | 73% | 0.729 | 75% | 0.748 | S | S | * | * | cis | -168.1 | 152.9 | 34.2 | -139 | 175.1 | -176.5 | 0 | 0 | 111.8 | ||||
| 723 | N | 27.7 | Very low | 26.7 | Very low | 120 Ų | 120 | 135.7 Ų | 135.7 | 64% | 0.642 | 75% | 0.75 | S | S | * | * | trans | 66.9 | 146.1 | 153.8 | -59.3 | -23.7 | 0 | 0 | 0 | 118.1 | ||||
| 724 | N | 27.8 | Very low | 26.9 | Very low | 129 Ų | 129 | 131.6 Ų | 131.6 | 69% | 0.69 | 75% | 0.746 | S | S | * | * | cis | -151.4 | 129.9 | 9.1 | -125.4 | -19.9 | 0 | 0 | 0 | 111.7 | ||||
| 725 | S | 26.3 | Very low | 27.2 | Very low | 85 Ų | 85 | 129.6 Ų | 129.6 | 59% | 0.594 | 74% | 0.739 | S | S | * | * | 46.5 | 124.8 | 121.9 | -50.8 | 0 | 0 | 0 | 0 | 122 | |||||
| 726 | N | 26.5 | Very low | 27.4 | Very low | 140 Ų | 140 | 134.3 Ų | 134.3 | 75% | 0.749 | 75% | 0.749 | S | S | * | * | trans | 92.7 | 118.8 | 139.2 | -57.3 | -20 | 0 | 0 | 0 | 121.1 | ||||
| 727 | N | 24.2 | Very low | 27.6 | Very low | 133 Ų | 133 | 136.5 Ų | 136.5 | 71% | 0.711 | 75% | 0.746 | S | S | * | * | trans | 81.2 | 120.2 | 130 | -81.7 | -6 | 0 | 0 | 0 | 122.1 | ||||
| 728 | I | 24.4 | Very low | 27.9 | Very low | 148 Ų | 148 | 133.7 Ų | 133.7 | 76% | 0.759 | 74% | 0.74 | S | S | * | * | 85.7 | 129.6 | 124.5 | -67.5 | 170 | 0 | 0 | 0 | 118.7 | |||||
| 729 | A | 23.5 | Very low | 28.1 | Very low | 79 Ų | 79 | 133 Ų | 133 | 65% | 0.653 | 74% | 0.741 | S | S | * | * | trans | 80.9 | 118.7 | 148.7 | 0 | 0 | 0 | 0 | 0 | 121.7 | ||||
| 730 | C | 23.4 | Very low | 28.4 | Very low | 104 Ų | 104 | 133 Ų | 133 | 70% | 0.703 | 74% | 0.743 | S | S | * | * | 75.9 | 106.3 | 118.7 | -66.6 | 0 | 0 | 0 | 0 | 121.8 | |||||
| 731 | Y | 25.5 | Very low | 28.4 | Very low | 217 Ų | 217 | 131.1 Ų | 131.1 | 85% | 0.851 | 74% | 0.743 | S | S | * | * | trans | 74.7 | 151 | 133.8 | -73.4 | -75.2 | 0 | 0 | 0 | 119.4 | ||||
| 732 | P | 31.2 | Very low | 28.4 | Very low | 109 Ų | 109 | 129.6 Ų | 129.6 | 71% | 0.708 | 75% | 0.749 | S | S | * | * | trans | -91.1 | 162.2 | -160.9 | 37.5 | -37.3 | 0 | 0 | 0 | 112.5 | ||||
| 733 | N | 29.3 | Very low | 28.6 | Very low | 166 Ų | 166 | 131 Ų | 131 | 89% | 0.888 | 75% | 0.754 | S | S | * | * | trans | -130.3 | 118.3 | 163.4 | -85 | -44.8 | 0 | 0 | 0 | 110.6 | ||||
| 734 | G | 27.8 | Very low | 28.7 | Very low | 70 Ų | 70 | 131.3 Ų | 131.3 | 72% | 0.722 | 75% | 0.754 | S | S | * | * | trans | -81.1 | 160.4 | 162.4 | 0 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 735 | L | 30.6 | Very low | 28.9 | Very low | 164 Ų | 164 | 132.2 Ų | 132.2 | 86% | 0.859 | 76% | 0.757 | S | S | * | * | trans | -96.3 | 104.7 | 172.6 | -78.2 | 162.5 | 0 | 0 | 0 | 109.7 | ||||
| 736 | I | 29.8 | Very low | 29 | Very low | 158 Ų | 158 | 135.1 Ų | 135.1 | 81% | 0.81 | 77% | 0.766 | S | S | * | * | trans | -112.7 | 123.3 | 162.5 | -64.1 | 175.2 | 0 | 0 | 0 | 107.2 | ||||
| 737 | Y | 29.6 | Very low | 29.2 | Very low | 203 Ų | 203 | 132.6 Ų | 132.6 | 80% | 0.796 | 76% | 0.759 | S | S | * | * | trans | -87.8 | 130.5 | 167.8 | -87.4 | -93.1 | 0 | 0 | 0 | 109.7 | ||||
| 738 | P | 31.9 | Very low | 29.6 | Very low | 102 Ų | 102 | 132.8 Ų | 132.8 | 66% | 0.662 | 76% | 0.76 | S | S | * | * | trans | -76 | 167.9 | 164.2 | 36.9 | -35.5 | 0 | 0 | 0 | 109.1 | ||||
| 739 | V | 33.8 | Very low | 29.9 | Very low | 129 Ų | 129 | 131.4 Ų | 131.4 | 78% | 0.782 | 76% | 0.759 | S | S | * | * | cis | -170.7 | -174.3 | 48.9 | -120.8 | 0 | 0 | 0 | 0 | 107.1 | ||||
| 740 | P | 35.1 | Very low | 30.4 | Very low | 109 Ų | 109 | 131.9 Ų | 131.9 | 71% | 0.708 | 76% | 0.757 | S | S | * | * | cis | -132.8 | 163.1 | -32.2 | 35.4 | -19.9 | 0 | 0 | 0 | 113.4 | ||||
| 741 | S | 28.8 | Very low | 30.8 | Very low | 129 Ų | 129 | 134.1 Ų | 134.1 | 90% | 0.902 | 76% | 0.762 | S | S | * | * | trans | 165.8 | 140.7 | 135.4 | -79.7 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 742 | G | 31.6 | Very low | 31.1 | Very low | 79 Ų | 79 | 132 Ų | 132 | 81% | 0.814 | 77% | 0.765 | S | S | * | * | trans | 146.8 | 94.7 | 168.1 | 0 | 0 | 0 | 0 | 0 | 114.7 | ||||
| 743 | H | 32.5 | Very low | 31.1 | Very low | 179 Ų | 179 | 131 Ų | 131 | 83% | 0.829 | 77% | 0.766 | S | S | * | * | trans | -89.3 | 120 | 175.4 | -114.9 | -98.9 | 0 | 0 | 0 | 111.5 | ||||
| 744 | I | 29.9 | Very low | 31.3 | Very low | 125 Ų | 125 | 128.8 Ų | 128.8 | 64% | 0.641 | 76% | 0.764 | S | S | * | * | 67.1 | 117.3 | 126.5 | -68.6 | -164.8 | 0 | 0 | 0 | 121.1 | |||||
| 745 | I | 30.6 | Very low | 31.4 | Very low | 148 Ų | 148 | 133.4 Ų | 133.4 | 76% | 0.759 | 77% | 0.772 | S | S | * | * | trans | 71.6 | 141.2 | 145.2 | -67.6 | 174.1 | 0 | 0 | 0 | 117.2 | ||||
| 746 | N | 29.5 | Very low | 31.8 | Very low | 147 Ų | 147 | 130.8 Ų | 130.8 | 79% | 0.786 | 77% | 0.765 | S | S | * | * | cis | -142.4 | 175.9 | 18.7 | -146.9 | -4.8 | 0 | 0 | 0 | 114.6 | ||||
| 747 | S | 31 | Very low | 31.9 | Very low | 86 Ų | 86 | 131.3 Ų | 131.3 | 60% | 0.601 | 77% | 0.766 | S | S | * | * | trans | -104.1 | 179 | -174.4 | 59.6 | 0 | 0 | 0 | 0 | 116.1 | ||||
| 748 | N | 31.9 | Very low | 32 | Very low | 138 Ų | 138 | 130.4 Ų | 130.4 | 74% | 0.738 | 77% | 0.766 | S | S | * | * | trans | 108.6 | 141.1 | 159.8 | -56.3 | -5.3 | 0 | 0 | 0 | 116.1 | ||||
| 749 | T | 31.4 | Very low | 31.9 | Very low | 118 Ų | 118 | 130.4 Ų | 130.4 | 72% | 0.724 | 77% | 0.768 | S | S | * | * | cis | -167.2 | 155.7 | -22.3 | 28.7 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 750 | S | 34.1 | Very low | 32 | Very low | 89 Ų | 89 | 129.6 Ų | 129.6 | 62% | 0.622 | 77% | 0.769 | S | S | * | * | trans | 66.1 | 118 | 144.6 | 62.5 | 0 | 0 | 0 | 0 | 123.8 | ||||
| 751 | N | 30.1 | Very low | 31.9 | Very low | 151 Ų | 151 | 129.8 Ų | 129.8 | 81% | 0.807 | 77% | 0.773 | S | S | * | * | trans | 65.8 | 151.9 | 130 | -47.4 | -15 | 0 | 0 | 0 | 119.1 | ||||
| 752 | L | 33 | Very low | 32.5 | Very low | 173 Ų | 173 | 128.7 Ų | 128.7 | 91% | 0.906 | 76% | 0.763 | S | S | * | * | cis | -137.3 | 172.7 | 15.1 | -94.7 | 95.5 | 0 | 0 | 0 | 112.3 | ||||
| 753 | A | 31.4 | Very low | 32.6 | Very low | 89 Ų | 89 | 132.5 Ų | 132.5 | 74% | 0.736 | 76% | 0.764 | S | S | * | * | trans | -104.4 | 166.4 | -179.2 | 0 | 0 | 0 | 0 | 0 | 114.6 | ||||
| 754 | S | 32.7 | Very low | 32.5 | Very low | 119 Ų | 119 | 128.7 Ų | 128.7 | 83% | 0.832 | 76% | 0.757 | S | S | * | * | 164.4 | 98.8 | 127.5 | -72.3 | 0 | 0 | 0 | 0 | 115.8 | |||||
| 755 | N | 30.6 | Very low | 32.5 | Very low | 166 Ų | 166 | 127.6 Ų | 127.6 | 89% | 0.888 | 76% | 0.761 | S | S | * | * | 36.9 | 162.2 | 128.7 | -92.6 | 6.9 | 0 | 0 | 0 | 125.5 | |||||
| 756 | P | 38.2 | Very low | 32.6 | Very low | 110 Ų | 110 | 126.6 Ų | 126.6 | 71% | 0.714 | 76% | 0.762 | S | S | * | * | trans | -129.5 | -179.8 | -134.1 | 45.6 | -32.9 | 0 | 0 | 0 | 116.6 | ||||
| 757 | M | 33.3 | Very low | 32.5 | Very low | 169 Ų | 169 | 125.7 Ų | 125.7 | 83% | 0.833 | 77% | 0.767 | S | S | * | * | trans | -151.8 | 131.5 | 158.2 | -84.9 | -147.4 | 174 | 0 | 0 | 115.7 | ||||
| 758 | F | 30 | Very low | 32.5 | Very low | 183 Ų | 183 | 125.1 Ų | 125.1 | 80% | 0.803 | 78% | 0.775 | S | S | * | * | trans | 44 | 124.1 | 138.1 | -72.5 | -82.6 | 0 | 0 | 0 | 124.9 | ||||
| 759 | S | 31.5 | Very low | 32.5 | Very low | 102 Ų | 102 | 125.5 Ų | 125.5 | 71% | 0.713 | 78% | 0.777 | S | S | * | * | 116.6 | 139.9 | 115 | 69.7 | 0 | 0 | 0 | 0 | 121.8 | |||||
| 760 | S | 35 | Very low | 32.6 | Very low | 113 Ų | 113 | 125.7 Ų | 125.7 | 79% | 0.79 | 77% | 0.774 | S | S | * | * | trans | 70.9 | 109.3 | 153.9 | 19.5 | 0 | 0 | 0 | 0 | 121.9 | ||||
| 761 | S | 32.5 | Very low | 32.6 | Very low | 113 Ų | 113 | 127.8 Ų | 127.8 | 79% | 0.79 | 78% | 0.777 | S | S | * | * | trans | -71.5 | -171.1 | 148 | -14.4 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 762 | P | 41.3 | Very low | 32.8 | Very low | 106 Ų | 106 | 127.3 Ų | 127.3 | 69% | 0.688 | 78% | 0.775 | S | S | * | * | cis | -127.2 | -178.8 | -27.5 | 34 | -15.8 | 0 | 0 | 0 | 111.5 | ||||
| 763 | D | 33.9 | Very low | 32.8 | Very low | 159 Ų | 159 | 126.4 Ų | 126.4 | 85% | 0.85 | 77% | 0.771 | S | S | * | * | 176.2 | 178.3 | 125.9 | -94.6 | -18.7 | 0 | 0 | 0 | 112.6 | |||||
| 764 | S | 31.1 | Very low | 32.7 | Very low | 98 Ų | 98 | 127.1 Ų | 127.1 | 69% | 0.685 | 77% | 0.771 | S | S | * | * | trans | -117.6 | 158.3 | -143.6 | 55.4 | 0 | 0 | 0 | 0 | 116.6 | ||||
| 765 | S | 30.6 | Very low | 32.7 | Very low | 103 Ų | 103 | 131.5 Ų | 131.5 | 72% | 0.72 | 78% | 0.775 | S | S | * | * | trans | 87.5 | 136.2 | 142.3 | 72.9 | 0 | 0 | 0 | 0 | 122.6 | ||||
| 766 | T | 30.7 | Very low | 32.7 | Very low | 127 Ų | 127 | 131.5 Ų | 131.5 | 78% | 0.779 | 77% | 0.773 | S | S | * | * | trans | 77.6 | 109.8 | 147.3 | 44.1 | 0 | 0 | 0 | 0 | 123.1 | ||||
| 767 | S | 28.4 | Very low | 32.4 | Very low | 128 Ų | 128 | 134.6 Ų | 134.6 | 90% | 0.895 | 78% | 0.778 | S | S | * | * | 71.7 | 121.7 | 126.3 | -158.8 | 0 | 0 | 0 | 0 | 120.3 | |||||
| 768 | G | 31.5 | Very low | 32.4 | Very low | 73 Ų | 73 | 132.7 Ų | 132.7 | 75% | 0.753 | 78% | 0.778 | S | S | * | * | trans | 167.6 | 71 | 169.6 | 0 | 0 | 0 | 0 | 0 | 117.1 | ||||
| 769 | N | 30.7 | Very low | 32.6 | Very low | 146 Ų | 146 | 130.2 Ų | 130.2 | 78% | 0.781 | 78% | 0.778 | S | S | * | * | trans | 24.8 | 136.5 | 147 | -103.4 | 4.7 | 0 | 0 | 0 | 123.1 | ||||
| 770 | N | 34.3 | Very low | 32.6 | Very low | 123 Ų | 123 | 134.5 Ų | 134.5 | 66% | 0.658 | 79% | 0.787 | S | S | * | * | trans | 92.4 | 125.7 | 135.6 | -64.3 | -12.9 | 0 | 0 | 0 | 122.6 | ||||
| 771 | N | 34.8 | Very low | 32.4 | Very low | 132 Ų | 132 | 132.2 Ų | 132.2 | 71% | 0.706 | 78% | 0.781 | S | S | * | * | trans | 84.8 | 103.1 | 141.6 | -60.6 | -10.1 | 0 | 0 | 0 | 121.4 | ||||
| 772 | N | 33.8 | Very low | 32.2 | Very low | 142 Ų | 142 | 138.1 Ų | 138.1 | 76% | 0.759 | 79% | 0.786 | S | S | * | * | 45 | 101.9 | 125.9 | -53.5 | -7.6 | 0 | 0 | 0 | 119.6 | |||||
| 773 | N | 32.7 | Very low | 31.7 | Very low | 153 Ų | 153 | 140.3 Ų | 140.3 | 82% | 0.818 | 79% | 0.791 | S | S | * | * | -178.5 | 130 | 101.8 | -103.6 | -11.3 | 0 | 0 | 0 | 114.9 | |||||
| 774 | S | 29.7 | Very low | 31.4 | Very low | 105 Ų | 105 | 139.7 Ų | 139.7 | 73% | 0.734 | 79% | 0.785 | S | S | * | * | trans | 27.8 | 104.2 | 144.9 | 63.8 | 0 | 0 | 0 | 0 | 121.1 | ||||
| 775 | K | 31.4 | Very low | 31.3 | Very low | 210 Ų | 210 | 143.6 Ų | 143.6 | 91% | 0.913 | 79% | 0.79 | S | S | * | * | -158 | 137.9 | 121.3 | -140.7 | 177.4 | -180 | -171.7 | 0 | 110.6 | |||||
| 776 | I | 31.1 | Very low | 31.2 | Very low | 166 Ų | 166 | 149.5 Ų | 149.5 | 85% | 0.851 | 80% | 0.796 | S | S | * | * | trans | -103.2 | 128.1 | -176.5 | -62.5 | 169 | 0 | 0 | 0 | 108.9 | ||||
| 777 | E | 32.4 | Very low | 31.2 | Very low | 176 Ų | 176 | 149.2 Ų | 149.2 | 82% | 0.822 | 80% | 0.796 | S | S | * | * | trans | -120.5 | 141.8 | 158.8 | -79.7 | -167.7 | 153.3 | 0 | 0 | 109.2 | ||||
| 778 | P | 33.4 | Very low | 31.2 | Very low | 128 Ų | 128 | 151.8 Ų | 151.8 | 83% | 0.831 | 79% | 0.794 | S | S | * | * | trans | -81.6 | 118.6 | 178.7 | 32.1 | -31.7 | 0 | 0 | 0 | 110.7 | ||||
| 779 | V | 34.3 | Very low | 31.2 | Very low | 132 Ų | 132 | 154.1 Ų | 154.1 | 80% | 0.8 | 80% | 0.796 | S | S | * | * | trans | -91.7 | 123.8 | 174.6 | 178.2 | 0 | 0 | 0 | 0 | 110.1 | G781 | V779-G781 PolarHBondContact O-N 2.85Š| ||
| 780 | E | 31.8 | Very low | 31.1 | Very low | 191 Ų | 191 | 151.6 Ų | 151.6 | 89% | 0.893 | 80% | 0.796 | S | S | * | * | trans | -65.4 | 98.4 | 168.8 | -71.2 | 179.6 | 120.6 | 0 | 0 | 110.4 | R782 | E780-R782 PolarHBondContact O-N 2.82Š| ||
| 781 | G | 29.7 | Very low | 30.8 | Very low | 65 Ų | 65 | 154 Ų | 154 | 67% | 0.67 | 81% | 0.807 | S | S | * | * | trans | -75 | 72.5 | -174.3 | 0 | 0 | 0 | 0 | 0 | 114.6 | V779 L783 | V779-G781 PolarHBondContact O-N 2.85Å; G781-L783 PolarHBondContact O-N 3.06Å | ||
| 782 | R | 29.1 | Very low | 30.5 | Very low | 237 Ų | 237 | 154.5 Ų | 154.5 | 89% | 0.894 | 81% | 0.809 | S | S | * | * | trans | -76.2 | 86.5 | 169.3 | -157.8 | 178.4 | -169.7 | -162 | 3.3 | 110 | E780 M784 | E780-R782 PolarHBondContact O-N 2.82Å; R782-M784 PolarHBondContact O-N 2.84Å; R782-M784 VanDerWaalsContact O-N 3.08Å | ||
| 783 | L | 30.4 | Very low | 30.3 | Very low | 153 Ų | 153 | 151.5 Ų | 151.5 | 80% | 0.801 | 80% | 0.799 | S | S | * | * | trans | -67 | 104.1 | -173.2 | -80.9 | 167.1 | 0 | 0 | 0 | 113.3 | G781 | G781-L783 PolarHBondContact O-N 3.06Š| ||
| 784 | M | 28.5 | Very low | 30 | Very low | 146 Ų | 146 | 151.1 Ų | 151.1 | 72% | 0.719 | 80% | 0.797 | S | S | * | * | P | Polyproline II helix | trans | -71.8 | 120.1 | 162.1 | -70.1 | -83.4 | -77.7 | 0 | 0 | 109.4 | M662 R782 R786 | M662-M784 HydrophobicContact CE-SD 4.26Å; M662-M784 HydrophobicContact SD-CE 4.49Å; M662-M784 HydrophobicContact SD-SD 4.28Å; R782-M784 PolarHBondContact O-N 2.84Å; R782-M784 VanDerWaalsContact O-N 3.08Å; M784-R786 PolarHBondContact O-N 2.88Å |
| 785 | F | 28.9 | Very low | 30 | Very low | 180 Ų | 180 | 155.6 Ų | 155.6 | 79% | 0.789 | 80% | 0.799 | S | S | * | * | P | Polyproline II helix | trans | -68.3 | 123.6 | 175.5 | -96.5 | -89 | 0 | 0 | 0 | 111.5 | ||
| 786 | R | 27.4 | Very low | 29.8 | Very low | 227 Ų | 227 | 152.8 Ų | 152.8 | 86% | 0.857 | 79% | 0.794 | S | S | * | * | P | Polyproline II helix | trans | -104 | 117 | 165.9 | -169.5 | 175.6 | -171.4 | 149 | 1.2 | 107.4 | M784 Q788 | M784-R786 PolarHBondContact O-N 2.88Å; R786-Q788 PolarHBondContact O-N 3.42Å |
| 787 | P | 30.4 | Very low | 29.9 | Very low | 120 Ų | 120 | 152.7 Ų | 152.7 | 78% | 0.779 | 79% | 0.794 | S | S | * | * | P | Polyproline II helix | trans | -65 | 128.3 | -178.9 | 25.5 | -32.7 | 0 | 0 | 0 | 110.1 | ||
| 788 | Q | 29.4 | Very low | 29.7 | Very low | 183 Ų | 183 | 150.4 Ų | 150.4 | 86% | 0.855 | 79% | 0.788 | S | S | * | * | P | Polyproline II helix | trans | -71.5 | 140.6 | 167.3 | -75.5 | -176 | -13.7 | 0 | 0 | 109.4 | R786 | R786-Q788 PolarHBondContact O-N 3.42Š|
| 789 | P | 30.5 | Very low | 29.7 | Very low | 122 Ų | 122 | 149.8 Ų | 149.8 | 79% | 0.792 | 79% | 0.787 | S | S | * | * | P | Polyproline II helix | trans | -69.1 | 139.3 | 173.6 | 29.8 | -33.6 | 0 | 0 | 0 | 110.1 | L791 | P789-L791 PolarHBondContact O-N 3.09Š|
| 790 | A | 28.9 | Very low | 29.5 | Very low | 93 Ų | 93 | 150.6 Ų | 150.6 | 77% | 0.769 | 79% | 0.787 | S | S | * | * | P | Polyproline II helix | trans | -60.4 | 127.7 | 177 | 0 | 0 | 0 | 0 | 0 | 110.9 | I792 | A790-I792 PolarHBondContact O-N 3.11Å; A790-I792 VanDerWaalsContact O-N 3.1Å |
| 791 | L | 28.8 | Very low | 29.6 | Very low | 172 Ų | 172 | 146.6 Ų | 146.6 | 90% | 0.901 | 78% | 0.78 | S | S | * | * | trans | -66.4 | 108.3 | 171.8 | -82.6 | 164.8 | 0 | 0 | 0 | 109.6 | P789 S793 | P789-L791 PolarHBondContact O-N 3.09Å; L791-S793 PolarHBondContact O-N 3.41Å | ||
| 792 | I | 27.4 | Very low | 29.9 | Very low | 143 Ų | 143 | 147.1 Ų | 147.1 | 73% | 0.733 | 78% | 0.777 | S | S | * | * | trans | -68.6 | 102.3 | 171 | -61.9 | 172.5 | 0 | 0 | 0 | 108 | A790 N794 | A790-I792 PolarHBondContact O-N 3.11Å; A790-I792 VanDerWaalsContact O-N 3.1Å; I792-N794 PolarHBondContact O-N 3.17Å | ||
| 793 | S | 30 | Very low | 30.1 | Very low | 80 Ų | 80 | 142.9 Ų | 142.9 | 56% | 0.559 | 77% | 0.772 | S | S | * | * | trans | -80 | 97 | 168.8 | -165.1 | 0 | 0 | 0 | 0 | 109.4 | L791 Y795 | L791-S793 PolarHBondContact O-N 3.41Å; S793-Y795 PolarHBondContact O-N 3.18Å; S793-Y795 WeakPolarHBondContact OG-CE2 3.19Å | ||
| 794 | N | 26.4 | Very low | 30.3 | Very low | 145 Ų | 145 | 142.6 Ų | 142.6 | 78% | 0.775 | 77% | 0.772 | S | S | * | * | trans | -67.5 | 91.4 | 173.2 | -85.6 | -24.1 | 0 | 0 | 0 | 110.7 | I792 N796 | I792-N794 PolarHBondContact O-N 3.17Å; N794-N796 PolarHBondContact O-N 3.42Å | ||
| 795 | Y | 29.4 | Very low | 30.5 | Very low | 199 Ų | 199 | 140.1 Ų | 140.1 | 78% | 0.78 | 77% | 0.769 | S | S | * | * | trans | -84.1 | 94.5 | 163.8 | -76.2 | -73.4 | 0 | 0 | 0 | 110.3 | S793 L797 | S793-Y795 PolarHBondContact O-N 3.18Å; S793-Y795 WeakPolarHBondContact OG-CE2 3.19Å; Y795-L797 PolarHBondContact O-N 2.87Å; Y795-L797 VanDerWaalsContact O-N 3.12Å | ||
| 796 | N | 27.8 | Very low | 30.9 | Very low | 151 Ų | 151 | 137.6 Ų | 137.6 | 81% | 0.807 | 77% | 0.774 | S | S | * | * | trans | -78.8 | 89.4 | 179.5 | -154.8 | 2.4 | 0 | 0 | 0 | 109.9 | N794 N798 | N794-N796 PolarHBondContact O-N 3.42Å; N796-N798 PolarHBondContact O-N 3.09Å | ||
| 797 | L | 33.2 | Very low | 31.2 | Very low | 163 Ų | 163 | 136.3 Ų | 136.3 | 85% | 0.853 | 77% | 0.774 | S | S | * | * | trans | -89.8 | 85.7 | 174.8 | -93.9 | 162.6 | 0 | 0 | 0 | 110.3 | Y795 | Y795-L797 PolarHBondContact O-N 2.87Å; Y795-L797 VanDerWaalsContact O-N 3.12Å | ||
| 798 | N | 27.9 | Very low | 31.5 | Very low | 129 Ų | 129 | 137 Ų | 137 | 69% | 0.69 | 78% | 0.776 | S | S | * | * | trans | -84.5 | 114.4 | 177 | -163.5 | 14.3 | 0 | 0 | 0 | 110 | N796 | N796-N798 PolarHBondContact O-N 3.09Š| ||
| 799 | S | 34.3 | Very low | 31.7 | Very low | 115 Ų | 115 | 135.7 Ų | 135.7 | 80% | 0.804 | 78% | 0.775 | S | S | * | * | trans | -128.2 | 100.7 | 171.9 | 48.5 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 800 | N | 29.9 | Very low | 31.8 | Very low | 149 Ų | 149 | 134.5 Ų | 134.5 | 80% | 0.797 | 77% | 0.77 | S | S | * | * | trans | -76.7 | 132.6 | 176.9 | -76.5 | -40.3 | 0 | 0 | 0 | 112.4 | ||||
| 801 | S | 34.3 | Very low | 32.1 | Very low | 107 Ų | 107 | 136.9 Ų | 136.9 | 75% | 0.748 | 77% | 0.77 | S | S | * | * | trans | -170.8 | 107.4 | 140.8 | -176.6 | 0 | 0 | 0 | 0 | 107.2 | ||||
| 802 | A | 35.1 | Very low | 32.3 | Very low | 75 Ų | 75 | 134.4 Ų | 134.4 | 62% | 0.62 | 76% | 0.762 | S | S | * | * | 49.7 | 121.7 | 88.7 | 0 | 0 | 0 | 0 | 0 | 112.3 | |||||
| 803 | N | 33.6 | Very low | 32.5 | Very low | 148 Ų | 148 | 134.7 Ų | 134.7 | 79% | 0.791 | 76% | 0.762 | S | S | * | * | cis | -150.9 | -179.8 | 6.5 | -78.4 | -36.6 | 0 | 0 | 0 | 108.5 | ||||
| 804 | N | 33.6 | Very low | 32.7 | Very low | 147 Ų | 147 | 140.6 Ų | 140.6 | 79% | 0.786 | 77% | 0.772 | S | S | * | * | cis | -152.4 | -177 | 12 | -146.6 | -5.7 | 0 | 0 | 0 | 114.1 | ||||
| 805 | S | 33.5 | Very low | 32.9 | Very low | 94 Ų | 94 | 143.8 Ų | 143.8 | 66% | 0.657 | 77% | 0.773 | S | S | * | * | trans | -85.3 | 147.5 | -179.5 | 55.2 | 0 | 0 | 0 | 0 | 118.3 | ||||
| 806 | S | 37.6 | Very low | 33 | Very low | 127 Ų | 127 | 143.2 Ų | 143.2 | 89% | 0.888 | 78% | 0.775 | S | S | * | * | -173 | 146.5 | 126.6 | 49.4 | 0 | 0 | 0 | 0 | 112.7 | |||||
| 807 | K | 32.1 | Very low | 33.1 | Very low | 201 Ų | 201 | 139.2 Ų | 139.2 | 87% | 0.874 | 77% | 0.769 | S | S | * | * | trans | -108 | 147 | -179.4 | -68.6 | 171.8 | 172.8 | 174.7 | 0 | 111.7 | ||||
| 808 | T | 37 | Very low | 33.1 | Very low | 134 Ų | 134 | 140.6 Ų | 140.6 | 82% | 0.822 | 77% | 0.771 | S | S | * | * | trans | 168.7 | 109.9 | 136.6 | 38.3 | 0 | 0 | 0 | 0 | 108.3 | ||||
| 809 | N | 33.7 | Very low | 33.2 | Very low | 156 Ų | 156 | 139 Ų | 139 | 83% | 0.834 | 77% | 0.77 | S | S | * | * | 81.7 | 132.3 | 79.4 | -100.7 | 21.2 | 0 | 0 | 0 | 116.6 | |||||
| 810 | S | 34.3 | Very low | 33.1 | Very low | 97 Ų | 97 | 140 Ų | 140 | 68% | 0.678 | 77% | 0.772 | S | S | * | * | trans | 64.4 | 106 | 154.2 | 49.5 | 0 | 0 | 0 | 0 | 121.5 | ||||
| 811 | D | 34.2 | Very low | 33.1 | Very low | 143 Ų | 143 | 135.9 Ų | 135.9 | 77% | 0.765 | 77% | 0.765 | S | S | * | * | 77.5 | 120.9 | 118.7 | -64.5 | -44.5 | 0 | 0 | 0 | 124.7 | |||||
| 812 | T | 33.5 | Very low | 33 | Very low | 120 Ų | 120 | 138 Ų | 138 | 74% | 0.736 | 77% | 0.767 | S | S | * | * | trans | 80.8 | 120.9 | 137.1 | 54.8 | 0 | 0 | 0 | 0 | 122.9 | ||||
| 813 | M | 31.4 | Very low | 32.7 | Very low | 148 Ų | 148 | 140.5 Ų | 140.5 | 73% | 0.729 | 77% | 0.771 | S | S | * | * | trans | 83.6 | 122.8 | 136.6 | -80.4 | -140.2 | -72.6 | 0 | 0 | 122.2 | ||||
| 814 | R | 32.9 | Very low | 32.6 | Very low | 204 Ų | 204 | 141.4 Ų | 141.4 | 77% | 0.77 | 78% | 0.775 | S | S | * | * | trans | 83.4 | 104.4 | 138.8 | -71.4 | 177.6 | -175.2 | -155.2 | 2.1 | 120 | ||||
| 815 | R | 32.3 | Very low | 32.4 | Very low | 213 Ų | 213 | 139.9 Ų | 139.9 | 80% | 0.804 | 77% | 0.771 | S | S | * | * | 78.9 | 126.6 | 119.9 | -88 | -171.8 | 176.4 | -147.5 | 1.1 | 120.1 | |||||
| 816 | F | 31.5 | Very low | 32.3 | Very low | 186 Ų | 186 | 140.6 Ų | 140.6 | 82% | 0.816 | 78% | 0.776 | S | S | * | * | trans | 60.8 | 103.8 | 149.4 | -73.4 | -76.1 | 0 | 0 | 0 | 119.3 | ||||
| 817 | G | 29 | Very low | 31.8 | Very low | 67 Ų | 67 | 140.7 Ų | 140.7 | 69% | 0.691 | 77% | 0.767 | S | S | * | * | 113 | 136.5 | 100.3 | 0 | 0 | 0 | 0 | 0 | 118.5 | |||||
| 818 | Q | 33.6 | Very low | 31.7 | Very low | 192 Ų | 192 | 142.4 Ų | 142.4 | 90% | 0.897 | 77% | 0.769 | S | S | * | * | trans | 80.2 | 115.9 | 150.3 | -62.2 | -175.2 | -0.2 | 0 | 0 | 120.8 | ||||
| 819 | S | 29.9 | Very low | 31.2 | Very low | 95 Ų | 95 | 144.4 Ų | 144.4 | 66% | 0.664 | 77% | 0.77 | S | S | * | * | 94.5 | 131.4 | 122.9 | -164.4 | 0 | 0 | 0 | 0 | 120.5 | |||||
| 820 | T | 32.5 | Very low | 31 | Very low | 138 Ų | 138 | 145.1 Ų | 145.1 | 85% | 0.847 | 77% | 0.77 | S | S | * | * | trans | 62.1 | 140.1 | 152.1 | 40.5 | 0 | 0 | 0 | 0 | 118.2 | ||||
| 821 | G | 29.8 | Very low | 30.8 | Very low | 62 Ų | 62 | 146.4 Ų | 146.4 | 64% | 0.639 | 77% | 0.774 | S | S | * | * | cis | 138.7 | 155.4 | 5.8 | 0 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 822 | N | 32.5 | Very low | 30.4 | Very low | 150 Ų | 150 | 146.5 Ų | 146.5 | 80% | 0.802 | 77% | 0.773 | S | S | * | * | trans | 68.2 | 158.5 | -179.7 | -62.2 | -10.4 | 0 | 0 | 0 | 116.2 | ||||
| 823 | N | 29.2 | Very low | 30.2 | Very low | 129 Ų | 129 | 147.1 Ų | 147.1 | 69% | 0.69 | 78% | 0.777 | S | S | * | * | cis | -178.2 | 149.8 | -38.1 | -99.5 | -15.3 | 0 | 0 | 0 | 104.7 | ||||
| 824 | N | 30.8 | Very low | 30.2 | Very low | 166 Ų | 166 | 146.3 Ų | 146.3 | 89% | 0.888 | 78% | 0.775 | S | S | * | * | trans | -167.5 | 140 | 132.5 | -100.2 | -19.7 | 0 | 0 | 0 | 112.4 | ||||
| 825 | T | 29.3 | Very low | 30.1 | Very low | 115 Ų | 115 | 142.7 Ų | 142.7 | 71% | 0.706 | 78% | 0.776 | S | S | * | * | trans | -106 | 162.6 | -171.1 | 45.4 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 826 | S | 32.1 | Very low | 30.3 | Very low | 109 Ų | 109 | 137.8 Ų | 137.8 | 76% | 0.762 | 77% | 0.772 | S | S | * | * | trans | -146.2 | 131.8 | 146.1 | 55.6 | 0 | 0 | 0 | 0 | 109.6 | ||||
| 827 | N | 27.3 | Very low | 30.3 | Very low | 129 Ų | 129 | 134.5 Ų | 134.5 | 69% | 0.69 | 77% | 0.772 | S | S | * | * | trans | -96.5 | 150.9 | -168.3 | -53.3 | -33.3 | 0 | 0 | 0 | 111 | ||||
| 828 | Y | 29.6 | Very low | 30.6 | Very low | 237 Ų | 237 | 134.4 Ų | 134.4 | 93% | 0.929 | 77% | 0.771 | S | S | * | * | trans | -139.5 | 136.3 | 145.3 | -65.5 | -73.3 | 0 | 0 | 0 | 109.6 | ||||
| 829 | E | 25.6 | Very low | 30.7 | Very low | 177 Ų | 177 | 133.5 Ų | 133.5 | 83% | 0.827 | 77% | 0.771 | S | S | * | * | trans | -122.2 | 148.3 | -168 | 172.7 | -174.1 | 175 | 0 | 0 | 108.7 | ||||
| 830 | M | 29.5 | Very low | 30.9 | Very low | 171 Ų | 171 | 134.1 Ų | 134.1 | 84% | 0.842 | 78% | 0.775 | S | S | * | * | trans | 175.3 | 101.2 | 137 | -168.4 | 157.6 | -73 | 0 | 0 | 113.7 | ||||
| 831 | T | 29.8 | Very low | 30.8 | Very low | 124 Ų | 124 | 132.1 Ų | 132.1 | 76% | 0.761 | 77% | 0.767 | S | S | * | * | trans | 66.4 | 151 | 130.8 | -45.1 | 0 | 0 | 0 | 0 | 122.9 | ||||
| 832 | I | 25.6 | Very low | 30.9 | Very low | 145 Ų | 145 | 140.2 Ų | 140.2 | 74% | 0.744 | 78% | 0.78 | S | S | * | * | trans | -119.4 | 149.2 | -163.1 | -62.9 | 161.6 | 0 | 0 | 0 | 110.9 | ||||
| 833 | T | 30.4 | Very low | 31.1 | Very low | 133 Ų | 133 | 137.7 Ų | 137.7 | 82% | 0.816 | 77% | 0.772 | S | S | * | * | trans | -144.6 | 103.8 | 155.4 | 42.1 | 0 | 0 | 0 | 0 | 114.2 | ||||
| 834 | N | 31.3 | Very low | 31.3 | Very low | 131 Ų | 131 | 138.6 Ų | 138.6 | 70% | 0.701 | 78% | 0.777 | S | S | * | * | trans | 44.3 | 110.3 | 133.3 | -56.6 | -10.7 | 0 | 0 | 0 | 122.7 | ||||
| 835 | T | 30.9 | Very low | 31.6 | Very low | 127 Ų | 127 | 139.9 Ų | 139.9 | 78% | 0.779 | 78% | 0.777 | S | S | * | * | 26.6 | 153.8 | 111.6 | 59 | 0 | 0 | 0 | 0 | 120.7 | |||||
| 836 | P | 36 | Very low | 31.8 | Very low | 111 Ų | 111 | 138.3 Ų | 138.3 | 72% | 0.721 | 78% | 0.776 | S | S | * | * | cis | -158.5 | 168 | 41.4 | 44.9 | -22.9 | 0 | 0 | 0 | 122.4 | ||||
| 837 | S | 31.9 | Very low | 32.1 | Very low | 116 Ų | 116 | 140.4 Ų | 140.4 | 81% | 0.811 | 78% | 0.779 | S | S | * | * | trans | 62.2 | 135.2 | 134.5 | 64.9 | 0 | 0 | 0 | 0 | 126 | ||||
| 838 | G | 34.9 | Very low | 32.8 | Very low | 65 Ų | 65 | 144.7 Ų | 144.7 | 67% | 0.67 | 81% | 0.81 | S | S | * | * | trans | 170.6 | 89.8 | 153.4 | 0 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 839 | L | 35.2 | Very low | 32.9 | Very low | 174 Ų | 174 | 140.1 Ų | 140.1 | 91% | 0.911 | 80% | 0.804 | S | S | * | * | 65.9 | 131.4 | 95.2 | -69 | 164.4 | 0 | 0 | 0 | 114.3 | |||||
| 840 | S | 34.5 | Very low | 33.3 | Very low | 107 Ų | 107 | 138.1 Ų | 138.1 | 75% | 0.748 | 80% | 0.802 | S | S | * | * | cis | -158.5 | 158 | -4.3 | 58.3 | 0 | 0 | 0 | 0 | 113.3 | ||||
| 841 | S | 31.5 | Very low | 33.5 | Very low | 97 Ų | 97 | 136.3 Ų | 136.3 | 68% | 0.678 | 80% | 0.8 | S | S | * | * | trans | -62.4 | 157.4 | 175.2 | 50.7 | 0 | 0 | 0 | 0 | 117.9 | ||||
| 842 | Y | 31.5 | Very low | 33.7 | Very low | 231 Ų | 231 | 137 Ų | 137 | 91% | 0.906 | 80% | 0.802 | S | S | * | * | trans | -159.4 | 132.2 | 136.7 | -105.9 | -73.3 | 0 | 0 | 0 | 112.1 | ||||
| 843 | P | 37.1 | Very low | 34.2 | Very low | 98 Ų | 98 | 136.5 Ų | 136.5 | 64% | 0.636 | 81% | 0.806 | S | S | * | * | trans | -121.8 | 168.4 | 169.2 | 39.7 | -29.2 | 0 | 0 | 0 | 114.5 | ||||
| 844 | N | 33.4 | Very low | 34.5 | Very low | 147 Ų | 147 | 136.7 Ų | 136.7 | 79% | 0.786 | 81% | 0.806 | S | S | * | * | trans | 68.1 | 121.7 | 164.5 | -61.4 | -17.9 | 0 | 0 | 0 | 119.2 | ||||
| 845 | H | 35.4 | Very low | 34.7 | Very low | 193 Ų | 193 | 137.1 Ų | 137.1 | 89% | 0.894 | 81% | 0.813 | S | S | * | * | -156.8 | 136.5 | 114 | -108.3 | -74 | 0 | 0 | 0 | 110.7 | |||||
| 846 | A | 34 | Very low | 35 | Very low | 83 Ų | 83 | 137.9 Ų | 137.9 | 69% | 0.686 | 82% | 0.816 | S | S | * | * | trans | -110.3 | 147.3 | 165.8 | 0 | 0 | 0 | 0 | 0 | 109 | ||||
| 847 | N | 39.3 | Very low | 34.9 | Very low | 153 Ų | 153 | 140.2 Ų | 140.2 | 82% | 0.818 | 82% | 0.824 | S | S | * | * | trans | -173.7 | 149 | 145.8 | -100.6 | -14.9 | 0 | 0 | 0 | 110.7 | ||||
| 848 | T | 40.6 | Very low | 35.2 | Very low | 218 Ų | 218 | 142.4 Ų | 142.4 | 100% | 1.337 | 83% | 0.825 | S | S | * | * | trans | 59.5 | 0 | 179.5 | 56.6 | 0 | 0 | 0 | 0 | 117.2 |
Retrieved 848 of 848 residues in 240.1 ms
(Link to these results)