| 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 | 51.2 | Low | 66 | Low | 180 Ų | 180 | 117.4 Ų | 117.4 | 89% | 0.887 | 60% | 0.595 | S | S | * | * | 0 | -59.3 | 0 | -106 | -175.9 | 79 | 0 | 0 | 113 | L3 S4 I5 | M1-L3 PolarHBondContact O-N 2.76Å; M1-S4 WeakPolarHBondContact CA-OG 3.41Å; M1-S4 PolarHBondContact O-N 3.21Å; M1-S4 PolarHBondContact O-OG 3.12Å; M1-I5 WeakPolarHBondContact O-CG1 3.34Å; M1-I5 PolarHBondContact O-N 3.08Å; M1-I5 VanDerWaalsContact O-N 3.08Å | |||
| 2 | Y | 62.2 | Low | 65.3 | Low | 210 Ų | 210 | 116 Ų | 116 | 82% | 0.824 | 59% | 0.588 | S | S | * | * | H | α-helix | trans | -62.4 | -40.3 | 178.7 | -79.4 | -80.6 | 0 | 0 | 0 | 113.4 | S4 I5 F6 | Y2-S4 PolarHBondContact O-N 3.18Å; Y2-I5 PolarHBondContact O-N 2.97Å; Y2-F6 PolarHBondContact O-N 3.4Å |
| 3 | L | 63.9 | Low | 64.4 | Low | 149 Ų | 149 | 115.8 Ų | 115.8 | 78% | 0.78 | 59% | 0.588 | S | S | * | * | H | α-helix | trans | -64.4 | -37.9 | 175.5 | -114.7 | 103.5 | 0 | 0 | 0 | 113.4 | M1 F6 M7 | M1-L3 PolarHBondContact O-N 2.76Å; L3-F6 PolarHBondContact O-N 3.03Å; L3-M7 VanDerWaalsContact O-CG 3.3Å; L3-M7 WeakPolarHBondContact O-CG 3.4Å; L3-M7 PolarHBondContact O-N 3.09Å |
| 4 | S | 64.6 | Low | 63.5 | Low | 63 Ų | 63 | 118 Ų | 118 | 44% | 0.441 | 60% | 0.598 | S | S | . | * | H | α-helix | trans | -70.8 | -37.2 | 179.6 | 51.1 | 0 | 0 | 0 | 0 | 111.5 | M1 Y2 I8 | M1-S4 WeakPolarHBondContact CA-OG 3.41Å; M1-S4 PolarHBondContact O-N 3.21Å; M1-S4 PolarHBondContact O-OG 3.12Å; Y2-S4 PolarHBondContact O-N 3.18Å; S4-I8 WeakPolarHBondContact O-CD1 3.39Å; S4-I8 VanDerWaalsContact O-CG1 3.23Å; S4-I8 WeakPolarHBondContact O-CG1 3.5Å; S4-I8 PolarHBondContact O-N 3.34Å; S4-I8 VanDerWaalsContact O-N 3.1Å |
| 5 | I | 74.6 | Confident | 62.5 | Low | 83 Ų | 83 | 117 Ų | 117 | 43% | 0.426 | 59% | 0.593 | S | S | . | * | H | α-helix | trans | -65.9 | -40.8 | 174.5 | -66 | 166.4 | 0 | 0 | 0 | 110.5 | M1 Y2 I8 L9 | M1-I5 WeakPolarHBondContact O-CG1 3.34Å; M1-I5 PolarHBondContact O-N 3.08Å; M1-I5 VanDerWaalsContact O-N 3.08Å; Y2-I5 PolarHBondContact O-N 2.97Å; I5-I8 PolarHBondContact O-N 3.09Å; I5-L9 HydrophobicContact CG2-CD1 3.74Å; I5-L9 PolarHBondContact O-N 3.01Å |
| 6 | F | 78.1 | Confident | 61.7 | Low | 163 Ų | 163 | 113.6 Ų | 113.6 | 72% | 0.715 | 58% | 0.584 | S | S | * | * | H | α-helix | trans | -66.7 | -38.4 | 179.3 | -148.3 | -88 | 0 | 0 | 0 | 112.5 | Y2 L3 L9 S10 | Y2-F6 PolarHBondContact O-N 3.4Å; L3-F6 PolarHBondContact O-N 3.03Å; F6-L9 PolarHBondContact O-N 3.25Å; F6-S10 VanDerWaalsContact O-CB 3.23Å; F6-S10 WeakPolarHBondContact O-CB 3.49Å; F6-S10 PolarHBondContact O-N 3.1Å |
| 7 | M | 72.3 | Confident | 60.8 | Low | 135 Ų | 135 | 109.7 Ų | 109.7 | 67% | 0.665 | 58% | 0.578 | S | S | * | * | H | α-helix | trans | -66.5 | -38.1 | 174.9 | -71.8 | -80.7 | -85.1 | 0 | 0 | 112 | L3 S11 | L3-M7 VanDerWaalsContact O-CG 3.3Å; L3-M7 WeakPolarHBondContact O-CG 3.4Å; L3-M7 PolarHBondContact O-N 3.09Å; M7-S11 WeakPolarHBondContact O-CB 3.49Å; M7-S11 PolarHBondContact O-N 3.15Å; M7-S11 PolarHBondContact O-OG 3.09Å |
| 8 | I | 72.3 | Confident | 59.9 | Low | 99 Ų | 99 | 107.4 Ų | 107.4 | 51% | 0.508 | 57% | 0.573 | S | S | . | * | H | α-helix | trans | -68.5 | -43.4 | 175 | -65.5 | 164.9 | 0 | 0 | 0 | 110.5 | S4 I5 S11 I12 | S4-I8 WeakPolarHBondContact O-CD1 3.39Å; S4-I8 VanDerWaalsContact O-CG1 3.23Å; S4-I8 WeakPolarHBondContact O-CG1 3.5Å; S4-I8 PolarHBondContact O-N 3.34Å; S4-I8 VanDerWaalsContact O-N 3.1Å; I5-I8 PolarHBondContact O-N 3.09Å; I8-S11 WeakPolarHBondContact CA-OG 3.33Å; I8-S11 PolarHBondContact O-N 3.2Å; I8-S11 PolarHBondContact O-OG 3.3Å; I8-I12 HydrophobicContact CG2-CD1 3.73Å; I8-I12 HydrophobicContact CG2-CG1 4.44Å; I8-I12 WeakPolarHBondContact O-CB 3.47Å; I8-I12 WeakPolarHBondContact O-CD1 3.46Å; I8-I12 WeakPolarHBondContact O-CG1 3.43Å; I8-I12 PolarHBondContact O-N 3.43Å |
| 9 | L | 64.9 | Low | 59 | Low | 94 Ų | 94 | 109.7 Ų | 109.7 | 49% | 0.492 | 58% | 0.577 | S | S | . | * | H | α-helix | trans | -65.3 | -39.7 | 175.8 | -105 | 110.5 | 0 | 0 | 0 | 112.4 | I5 F6 S11 I12 L13 | I5-L9 HydrophobicContact CG2-CD1 3.74Å; I5-L9 PolarHBondContact O-N 3.01Å; F6-L9 PolarHBondContact O-N 3.25Å; L9-S11 VanDerWaalsContact C-N 3.35Å; L9-I12 PolarHBondContact O-N 3.39Å; L9-L13 HydrophobicContact CD2-CD1 4.49Å; L9-L13 WeakPolarHBondContact O-CB 3.46Å; L9-L13 PolarHBondContact O-N 2.87Å |
| 10 | S | 63 | Low | 58.5 | Low | 59 Ų | 59 | 110.4 Ų | 110.4 | 41% | 0.413 | 58% | 0.582 | S | S | . | * | H | α-helix | trans | -64.1 | -39.7 | 176.4 | 171.2 | 0 | 0 | 0 | 0 | 111.9 | F6 M14 | F6-S10 VanDerWaalsContact O-CB 3.23Å; F6-S10 WeakPolarHBondContact O-CB 3.49Å; F6-S10 PolarHBondContact O-N 3.1Å; S10-M14 WeakPolarHBondContact O-CB 3.46Å; S10-M14 WeakPolarHBondContact O-CG 3.44Å; S10-M14 PolarHBondContact O-N 2.97Å |
| 11 | S | 59.1 | Low | 58.2 | Low | 56 Ų | 56 | 110.7 Ų | 110.7 | 39% | 0.392 | 58% | 0.584 | S | S | . | * | H | α-helix | trans | -70.5 | -40.3 | 176 | 40.8 | 0 | 0 | 0 | 0 | 111 | M7 I8 L9 L13 M14 I15 | M7-S11 WeakPolarHBondContact O-CB 3.49Å; M7-S11 PolarHBondContact O-N 3.15Å; M7-S11 PolarHBondContact O-OG 3.09Å; I8-S11 WeakPolarHBondContact CA-OG 3.33Å; I8-S11 PolarHBondContact O-N 3.2Å; I8-S11 PolarHBondContact O-OG 3.3Å; L9-S11 VanDerWaalsContact C-N 3.35Å; S11-L13 PolarHBondContact O-N 3.35Å; S11-M14 PolarHBondContact O-N 3.42Å; S11-I15 WeakPolarHBondContact O-CB 3.47Å; S11-I15 VanDerWaalsContact O-CD1 3.3Å; S11-I15 WeakPolarHBondContact O-CD1 3.13Å; S11-I15 WeakPolarHBondContact O-CG1 3.11Å; S11-I15 PolarHBondContact O-N 3.35Å |
| 12 | I | 57.5 | Low | 58.6 | Low | 101 Ų | 101 | 105.9 Ų | 105.9 | 52% | 0.518 | 56% | 0.562 | S | S | . | * | H | α-helix | trans | -62.6 | -42.3 | 173 | -66.6 | 165.8 | 0 | 0 | 0 | 111.5 | I8 L9 I15 S16 | I8-I12 HydrophobicContact CG2-CD1 3.73Å; I8-I12 HydrophobicContact CG2-CG1 4.44Å; I8-I12 WeakPolarHBondContact O-CB 3.47Å; I8-I12 WeakPolarHBondContact O-CD1 3.46Å; I8-I12 WeakPolarHBondContact O-CG1 3.43Å; I8-I12 PolarHBondContact O-N 3.43Å; L9-I12 PolarHBondContact O-N 3.39Å; I12-I15 PolarHBondContact O-N 2.85Å; I12-S16 WeakPolarHBondContact O-CB 3.34Å; I12-S16 PolarHBondContact O-N 3.07Å; I12-S16 PolarHBondContact O-OG 3.25Å |
| 13 | L | 53.9 | Low | 58.7 | Low | 113 Ų | 113 | 102.6 Ų | 102.6 | 59% | 0.592 | 55% | 0.551 | S | S | * | * | H | α-helix | trans | -66.5 | -42.5 | 178.3 | -106.3 | 129.6 | 0 | 0 | 0 | 112.2 | L9 S11 I15 S16 G17 | L9-L13 HydrophobicContact CD2-CD1 4.49Å; L9-L13 WeakPolarHBondContact O-CB 3.46Å; L9-L13 PolarHBondContact O-N 2.87Å; S11-L13 PolarHBondContact O-N 3.35Å; L13-I15 VanDerWaalsContact C-N 3.33Å; L13-I15 PolarHBondContact O-N 3.44Å; L13-S16 WeakPolarHBondContact CA-OG 2.81Å; L13-S16 PolarHBondContact O-N 2.89Å; L13-S16 PolarHBondContact O-OG 3.18Å; L13-G17 PolarHBondContact O-N 3.19Å |
| 14 | M | 50.7 | Low | 58.9 | Low | 147 Ų | 147 | 100.1 Ų | 100.1 | 72% | 0.724 | 54% | 0.536 | S | S | * | . | H | α-helix | trans | -62.4 | -39.9 | 173.8 | -80.9 | -72.6 | -148.3 | 0 | 0 | 111.9 | S10 S11 S18 | S10-M14 WeakPolarHBondContact O-CB 3.46Å; S10-M14 WeakPolarHBondContact O-CG 3.44Å; S10-M14 PolarHBondContact O-N 2.97Å; S11-M14 PolarHBondContact O-N 3.42Å; M14-S18 PolarHBondContact O-N 2.83Å |
| 15 | I | 49.5 | Very low | 59.1 | Low | 103 Ų | 103 | 99.2 Ų | 99.2 | 53% | 0.528 | 53% | 0.528 | S | S | . | . | H | α-helix | trans | -65.8 | -42.8 | 175 | -65.6 | 161.8 | 0 | 0 | 0 | 110 | S11 I12 L13 F19 | S11-I15 WeakPolarHBondContact O-CB 3.47Å; S11-I15 VanDerWaalsContact O-CD1 3.3Å; S11-I15 WeakPolarHBondContact O-CD1 3.13Å; S11-I15 WeakPolarHBondContact O-CG1 3.11Å; S11-I15 PolarHBondContact O-N 3.35Å; I12-I15 PolarHBondContact O-N 2.85Å; L13-I15 VanDerWaalsContact C-N 3.33Å; L13-I15 PolarHBondContact O-N 3.44Å; I15-F19 HydrophobicContact CG2-CD2 4.3Å; I15-F19 HydrophobicContact CG2-CE2 4.34Å; I15-F19 WeakPolarHBondContact O-CD2 3.46Å; I15-F19 PolarHBondContact O-N 2.72Å |
| 16 | S | 50.1 | Low | 59.1 | Low | 63 Ų | 63 | 98 Ų | 98 | 44% | 0.441 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -66.9 | -38 | 178.9 | 66.9 | 0 | 0 | 0 | 0 | 113.5 | I12 L13 F19 | I12-S16 WeakPolarHBondContact O-CB 3.34Å; I12-S16 PolarHBondContact O-N 3.07Å; I12-S16 PolarHBondContact O-OG 3.25Å; L13-S16 WeakPolarHBondContact CA-OG 2.81Å; L13-S16 PolarHBondContact O-N 2.89Å; L13-S16 PolarHBondContact O-OG 3.18Å; S16-F19 PolarHBondContact O-N 3.27Å |
| 17 | G | 45.6 | Very low | 59 | Low | 47 Ų | 47 | 93.3 Ų | 93.3 | 49% | 0.485 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -72.4 | -29.1 | -179.9 | 0 | 0 | 0 | 0 | 0 | 113.8 | L13 | L13-G17 PolarHBondContact O-N 3.19Å |
| 18 | S | 44.7 | Very low | 59.2 | Low | 69 Ų | 69 | 88.3 Ų | 88.3 | 48% | 0.483 | 48% | 0.476 | S | S | . | . | H | α-helix | trans | -66.7 | -38.9 | 172.6 | -171.5 | 0 | 0 | 0 | 0 | 111.8 | M14 N21 | M14-S18 PolarHBondContact O-N 2.83Å; S18-N21 PolarHBondContact O-N 3.17Å |
| 19 | F | 43.6 | Very low | 59.7 | Low | 151 Ų | 151 | 84.1 Ų | 84.1 | 66% | 0.662 | 45% | 0.454 | S | S | * | . | H | α-helix | trans | -68.6 | -34 | -176.7 | -98.5 | -81.6 | 0 | 0 | 0 | 113.8 | I15 S16 N21 K23 | I15-F19 HydrophobicContact CG2-CD2 4.3Å; I15-F19 HydrophobicContact CG2-CE2 4.34Å; I15-F19 WeakPolarHBondContact O-CD2 3.46Å; I15-F19 PolarHBondContact O-N 2.72Å; S16-F19 PolarHBondContact O-N 3.27Å; F19-N21 VanDerWaalsContact C-N 3.33Å; F19-K23 PolarHBondContact O-N 2.97Å |
| 20 | D | 47.7 | Very low | 60.5 | Low | 123 Ų | 123 | 82 Ų | 82 | 66% | 0.658 | 44% | 0.441 | S | S | * | . | H | α-helix | trans | -69.7 | -30.7 | 178.7 | -93.8 | -19.8 | 0 | 0 | 0 | 112.5 | Q24 | D20-Q24 PolarHBondContact O-N 3.12Å |
| 21 | N | 53.3 | Low | 61.5 | Low | 117 Ų | 117 | 84.2 Ų | 84.2 | 63% | 0.626 | 45% | 0.445 | S | S | * | . | H | α-helix | trans | -73.7 | -40.7 | -177.9 | -135.8 | 24.2 | 0 | 0 | 0 | 112 | S18 F19 K23 Q24 T25 | S18-N21 PolarHBondContact O-N 3.17Å; F19-N21 VanDerWaalsContact C-N 3.33Å; N21-K23 VanDerWaalsContact C-N 3.28Å; N21-K23 PolarHBondContact O-N 3.18Å; N21-Q24 PolarHBondContact O-N 3.27Å; N21-T25 PolarHBondContact O-N 3Å; N21-T25 VanDerWaalsContact O-N 3.14Å; N21-T25 PolarHBondContact O-OG1 3.39Å; N21-T25 VanDerWaalsContact O-OG1 3.05Å |
| 22 | D | 58.5 | Low | 62.8 | Low | 79 Ų | 79 | 81.6 Ų | 81.6 | 42% | 0.422 | 43% | 0.426 | S | S | . | . | H | α-helix | trans | -63.9 | -35.9 | 176.7 | -71.4 | -21 | 0 | 0 | 0 | 112 | Y26 | D22-Y26 WeakPolarHBondContact O-CB 3.47Å; D22-Y26 PolarHBondContact O-N 2.84Å |
| 23 | K | 65.4 | Low | 64.4 | Low | 140 Ų | 140 | 76.8 Ų | 76.8 | 61% | 0.609 | 40% | 0.402 | S | S | * | . | H | α-helix | trans | -68 | -37.7 | 179.5 | -157.1 | 176.7 | -174 | -179.9 | 0 | 112.1 | F19 N21 I27 | F19-K23 PolarHBondContact O-N 2.97Å; N21-K23 VanDerWaalsContact C-N 3.28Å; N21-K23 PolarHBondContact O-N 3.18Å; K23-I27 WeakPolarHBondContact O-CG1 3.27Å; K23-I27 PolarHBondContact O-N 2.69Å |
| 24 | Q | 67.7 | Low | 66 | Low | 98 Ų | 98 | 73.4 Ų | 73.4 | 46% | 0.458 | 39% | 0.385 | S | S | . | . | H | α-helix | trans | -69.9 | -46.1 | 176.2 | -171.5 | 60.2 | 44 | 0 | 0 | 111.5 | D20 N21 Y26 I27 D28 | D20-Q24 PolarHBondContact O-N 3.12Å; N21-Q24 PolarHBondContact O-N 3.27Å; Q24-Y26 PolarHBondContact O-N 3.13Å; Q24-I27 PolarHBondContact O-N 3.15Å; Q24-D28 PolarHBondContact NE2-OD1 3.3Å; Q24-D28 VanDerWaalsContact O-CG 3.31Å; Q24-D28 PolarHBondContact O-N 3.05Å |
| 25 | T | 69.1 | Low | 67.9 | Low | 43 Ų | 43 | 72 Ų | 72 | 26% | 0.264 | 37% | 0.371 | S | S | . | . | H | α-helix | trans | -55.2 | -41.1 | 175.7 | -54.3 | 0 | 0 | 0 | 0 | 111.4 | N21 D28 I29 | N21-T25 PolarHBondContact O-N 3Å; N21-T25 VanDerWaalsContact O-N 3.14Å; N21-T25 PolarHBondContact O-OG1 3.39Å; N21-T25 VanDerWaalsContact O-OG1 3.05Å; T25-D28 PolarHBondContact O-N 3.28Å; T25-I29 HydrophobicContact CG2-CD1 4.05Å; T25-I29 VanDerWaalsContact O-CG1 3.31Å; T25-I29 WeakPolarHBondContact O-CG1 3.47Å; T25-I29 PolarHBondContact O-N 3.34Å |
| 26 | Y | 73.5 | Confident | 70 | Confident | 57 Ų | 57 | 67.2 Ų | 67.2 | 22% | 0.224 | 35% | 0.346 | C | S | . | . | H | α-helix | trans | -60.9 | -47 | 175.1 | 174.3 | -90 | 0 | 0 | 0 | 113.1 | D22 Q24 D28 I29 K30 W1347 | D22-Y26 WeakPolarHBondContact O-CB 3.47Å; D22-Y26 PolarHBondContact O-N 2.84Å; Q24-Y26 PolarHBondContact O-N 3.13Å; Y26-D28 VanDerWaalsContact C-N 3.28Å; Y26-D28 PolarHBondContact O-N 2.64Å; Y26-I29 PolarHBondContact O-N 2.86Å; Y26-K30 HydrophobicContact CE1-CD 4.49Å; Y26-K30 WeakPolarHBondContact O-CB 3.15Å; Y26-K30 PolarHBondContact O-N 3.4Å; Y26-W1347 HydrophobicContact CD2-CH2 4.28Å; Y26-W1347 AromaticContact CD2-CZ2 3.54Å; Y26-W1347 HydrophobicContact CD2-CZ2 3.54Å; Y26-W1347 AromaticContact CE2-CE2 3.96Å; Y26-W1347 HydrophobicContact CE2-CH2 4.39Å; Y26-W1347 AromaticContact CE2-CZ2 3.37Å; Y26-W1347 HydrophobicContact CE2-CZ2 3.37Å; Y26-W1347 AromaticContact CE2-NE1 4Å |
| 27 | I | 76.1 | Confident | 72 | Confident | 66 Ų | 66 | 64.4 Ų | 64.4 | 34% | 0.338 | 33% | 0.327 | S | S | . | . | H | α-helix | trans | -61.4 | -41.9 | 179.1 | -68.9 | 165.8 | 0 | 0 | 0 | 109.9 | K23 Q24 K30 Q31 | K23-I27 WeakPolarHBondContact O-CG1 3.27Å; K23-I27 PolarHBondContact O-N 2.69Å; Q24-I27 PolarHBondContact O-N 3.15Å; I27-K30 PolarHBondContact O-N 3.47Å; I27-Q31 HydrophobicContact CG2-CG 4.46Å; I27-Q31 WeakPolarHBondContact O-CG 3.45Å; I27-Q31 PolarHBondContact O-N 3.43Å |
| 28 | D | 77.5 | Confident | 74.3 | Confident | 29 Ų | 29 | 66 Ų | 66 | 16% | 0.155 | 33% | 0.327 | C | S | . | . | H | α-helix | trans | -67.4 | -43.2 | -178.9 | -64 | -15.2 | 0 | 0 | 0 | 111.8 | Q24 T25 Y26 Q31 N32 | Q24-D28 PolarHBondContact NE2-OD1 3.3Å; Q24-D28 VanDerWaalsContact O-CG 3.31Å; Q24-D28 PolarHBondContact O-N 3.05Å; T25-D28 PolarHBondContact O-N 3.28Å; Y26-D28 VanDerWaalsContact C-N 3.28Å; Y26-D28 PolarHBondContact O-N 2.64Å; D28-Q31 PolarHBondContact O-N 2.98Å; D28-N32 PolarHBondContact O-N 3.21Å; D28-N32 VanDerWaalsContact O-N 3.12Å; D28-N32 PolarHBondContact O-ND2 3.34Å |
| 29 | I | 81.2 | Confident | 76.6 | Confident | 12 Ų | 12 | 64.3 Ų | 64.3 | 6% | 0.062 | 31% | 0.311 | C | S | . | . | H | α-helix | trans | -59.7 | -48.9 | 174.9 | -69.4 | 167 | 0 | 0 | 0 | 110.2 | T25 Y26 Q31 N32 F33 F923 W1347 | T25-I29 HydrophobicContact CG2-CD1 4.05Å; T25-I29 VanDerWaalsContact O-CG1 3.31Å; T25-I29 WeakPolarHBondContact O-CG1 3.47Å; T25-I29 PolarHBondContact O-N 3.34Å; Y26-I29 PolarHBondContact O-N 2.86Å; I29-Q31 PolarHBondContact O-N 3.2Å; I29-N32 PolarHBondContact O-N 3.3Å; I29-F33 WeakPolarHBondContact O-CB 3.38Å; I29-F33 PolarHBondContact O-N 2.77Å; I29-F923 HydrophobicContact CD1-CE2 4.15Å; I29-F923 HydrophobicContact CG1-CE2 4.21Å; I29-F923 HydrophobicContact CG2-CE2 4.26Å; I29-F923 HydrophobicContact CG2-CZ 4.25Å; I29-W1347 HydrophobicContact CG2-CH2 4.17Å; I29-W1347 HydrophobicContact CG2-CZ2 4.31Å; I29-W1347 HydrophobicContact CG2-CZ3 4.34Å |
| 30 | K | 82.5 | Confident | 79.1 | Confident | 48 Ų | 48 | 57.1 Ų | 57.1 | 21% | 0.209 | 28% | 0.28 | C | S | . | . | H | α-helix | trans | -61.2 | -44.1 | -178.5 | -179.6 | 166.5 | -178.7 | 149.7 | 0 | 112.3 | Y26 I27 N32 F33 D34 D1332 | Y26-K30 HydrophobicContact CE1-CD 4.49Å; Y26-K30 WeakPolarHBondContact O-CB 3.15Å; Y26-K30 PolarHBondContact O-N 3.4Å; I27-K30 PolarHBondContact O-N 3.47Å; K30-N32 PolarHBondContact O-N 3.15Å; K30-F33 WeakPolarHBondContact O-CB 3.3Å; K30-F33 PolarHBondContact O-N 2.94Å; K30-D34 PolarHBondContact O-N 3.11Å; K30-D1332 WeakPolarHBondContact CE-OD2 3.36Å; K30-D1332 IonicContact NZ-OD2 3.89Å; K30-D1332 PolarHBondContact NZ-OD2 3.44Å |
| 31 | Q | 84.2 | Confident | 81.3 | Confident | 106 Ų | 106 | 52.1 Ų | 52.1 | 50% | 0.495 | 26% | 0.255 | S | S | . | . | H | α-helix | trans | -63.5 | -41.2 | 178.6 | -75.6 | -179.2 | 7.6 | 0 | 0 | 112.6 | I27 D28 I29 R35 T912 | I27-Q31 HydrophobicContact CG2-CG 4.46Å; I27-Q31 WeakPolarHBondContact O-CG 3.45Å; I27-Q31 PolarHBondContact O-N 3.43Å; D28-Q31 PolarHBondContact O-N 2.98Å; I29-Q31 PolarHBondContact O-N 3.2Å; Q31-R35 PolarHBondContact O-N 3.31Å; Q31-T912 HydrophobicContact CB-CG2 3.89Å |
| 32 | N | 87.1 | Confident | 83.2 | Confident | 1 Ų | 1 | 52.7 Ų | 52.7 | 1% | 0.005 | 25% | 0.252 | C | S | . | . | H | α-helix | trans | -67.1 | -43.1 | 175.8 | -73.4 | -63 | 0 | 0 | 0 | 111.4 | D28 I29 K30 D34 R35 W36 F911 T912 C915 | D28-N32 PolarHBondContact O-N 3.21Å; D28-N32 VanDerWaalsContact O-N 3.12Å; D28-N32 PolarHBondContact O-ND2 3.34Å; I29-N32 PolarHBondContact O-N 3.3Å; K30-N32 PolarHBondContact O-N 3.15Å; N32-D34 PolarHBondContact O-N 3.04Å; N32-R35 CarbonylContact O-C 3.08Å; N32-R35 WeakPolarHBondContact O-CB 3.5Å; N32-R35 PolarHBondContact O-N 2.63Å; N32-R35 VanDerWaalsContact O-N 3.11Å; N32-W36 HydrophobicContact CB-CZ2 3.98Å; N32-W36 PolarHBondContact O-N 3.23Å; N32-F911 PolarHBondContact OD1-N 3.09Å; N32-T912 PolarHBondContact ND2-OG1 3.09Å; N32-T912 PolarHBondContact OD1-N 2.89Å; N32-C915 WeakPolarHBondContact ND2-CB 3.46Å |
| 33 | F | 89.5 | Confident | 84.8 | Confident | 0 Ų | 0 | 49.2 Ų | 49.2 | 0% | 0 | 23% | 0.233 | C | C | . | . | H | α-helix | trans | -55.4 | -49.8 | 175.6 | 173 | -114 | 0 | 0 | 0 | 112.4 | I29 K30 R35 W36 V37 W1347 K1349 L1358 I1360 | I29-F33 WeakPolarHBondContact O-CB 3.38Å; I29-F33 PolarHBondContact O-N 2.77Å; K30-F33 WeakPolarHBondContact O-CB 3.3Å; K30-F33 PolarHBondContact O-N 2.94Å; F33-R35 PolarHBondContact O-N 3.05Å; F33-W36 PolarHBondContact O-N 3.19Å; F33-V37 HydrophobicContact CD2-CG2 4.47Å; F33-V37 HydrophobicContact CE2-CG2 4.24Å; F33-V37 HydrophobicContact CZ-CG2 4.38Å; F33-V37 WeakPolarHBondContact O-CG2 3.3Å; F33-V37 PolarHBondContact O-N 3.05Å; F33-W1347 HydrophobicContact CD1-CB 4.12Å; F33-W1347 HydrophobicContact CE1-CB 3.81Å; F33-W1347 HydrophobicContact CE2-CB 4.32Å; F33-W1347 HydrophobicContact CG-CB 4.48Å; F33-W1347 HydrophobicContact CZ-CB 3.89Å; F33-K1349 HydrophobicContact CE1-CB 3.56Å; F33-K1349 HydrophobicContact CE1-CD 4.14Å; F33-K1349 HydrophobicContact CZ-CB 3.43Å; F33-K1349 VanDerWaalsContact CZ-CB 3.43Å; F33-L1358 HydrophobicContact CD2-CD2 3.7Å; F33-L1358 HydrophobicContact CD2-CG 4.22Å; F33-L1358 HydrophobicContact CE2-CB 4.06Å; F33-L1358 HydrophobicContact CE2-CD2 3.71Å; F33-L1358 HydrophobicContact CE2-CG 3.77Å; F33-I1360 HydrophobicContact CB-CD1 3.94Å; F33-I1360 HydrophobicContact CD2-CD1 3.27Å; F33-I1360 HydrophobicContact CD2-CG1 3.79Å; F33-I1360 HydrophobicContact CE2-CD1 4.01Å; F33-I1360 HydrophobicContact CE2-CG1 4.02Å; F33-I1360 HydrophobicContact CG-CD1 3.95Å |
| 34 | D | 89.4 | Confident | 86.2 | Confident | 43 Ų | 43 | 42.6 Ų | 42.6 | 23% | 0.23 | 21% | 0.205 | C | C | . | . | H | α-helix | trans | -59.4 | -37.1 | 177.3 | -79.1 | -32.6 | 0 | 0 | 0 | 112.3 | K30 N32 T38 K1349 | K30-D34 PolarHBondContact O-N 3.11Å; N32-D34 PolarHBondContact O-N 3.04Å; D34-T38 PolarHBondContact O-N 2.91Å; D34-T38 PolarHBondContact O-OG1 2.92Å; D34-K1349 IonicContact OD1-NZ 2.76Å; D34-K1349 PolarHBondContact OD1-NZ 3.27Å |
| 35 | R | 90 | Very high | 87.2 | Confident | 118 Ų | 118 | 40.2 Ų | 40.2 | 45% | 0.445 | 20% | 0.199 | S | C | . | . | H | α-helix | trans | -70.5 | -42.8 | 176.6 | -168.6 | 68.5 | -169.4 | -158.6 | 3.7 | 111.8 | Q31 N32 F33 V37 T38 E39 F911 | Q31-R35 PolarHBondContact O-N 3.31Å; N32-R35 CarbonylContact O-C 3.08Å; N32-R35 WeakPolarHBondContact O-CB 3.5Å; N32-R35 PolarHBondContact O-N 2.63Å; N32-R35 VanDerWaalsContact O-N 3.11Å; F33-R35 PolarHBondContact O-N 3.05Å; R35-V37 VanDerWaalsContact C-N 3.34Å; R35-V37 PolarHBondContact O-N 3.46Å; R35-T38 WeakPolarHBondContact O-CB 3.33Å; R35-T38 PolarHBondContact O-N 2.97Å; R35-T38 VanDerWaalsContact O-N 3.14Å; R35-E39 HydrophobicContact CG-CG 4.41Å; R35-E39 IonicContact CZ-OE1 3.99Å; R35-E39 VanDerWaalsContact CZ-OE1 3.29Å; R35-E39 IonicContact NE-OE1 3.07Å; R35-E39 PolarHBondContact NE-OE1 3.45Å; R35-E39 IonicContact NH2-OE1 2.84Å; R35-E39 PolarHBondContact NH2-OE1 3.5Å; R35-E39 WeakPolarHBondContact O-CG 3.4Å; R35-E39 PolarHBondContact O-N 3.47Å; R35-F911 HydrophobicContact CB-CD2 4.02Å; R35-F911 HydrophobicContact CB-CE2 4.42Å; R35-F911 HydrophobicContact CB-CG 4.37Å; R35-F911 HydrophobicContact CG-CB 4.32Å; R35-F911 HydrophobicContact CG-CD1 3.94Å; R35-F911 HydrophobicContact CG-CD2 3.59Å; R35-F911 HydrophobicContact CG-CE1 4.12Å; R35-F911 HydrophobicContact CG-CE2 3.8Å; R35-F911 HydrophobicContact CG-CG 3.67Å; R35-F911 HydrophobicContact CG-CZ 4.05Å |
| 36 | W | 93.2 | Very high | 88.2 | Confident | 1 Ų | 1 | 40.9 Ų | 40.9 | 0% | 0.004 | 20% | 0.199 | C | C | . | . | H | α-helix | trans | -58.5 | -44.8 | 177.1 | -64.1 | -22.3 | 0 | 0 | 0 | 111.7 | N32 F33 T38 E39 L40 I906 T907 T909 F911 F923 L1358 I1360 | N32-W36 HydrophobicContact CB-CZ2 3.98Å; N32-W36 PolarHBondContact O-N 3.23Å; F33-W36 PolarHBondContact O-N 3.19Å; W36-T38 VanDerWaalsContact C-N 3.3Å; W36-T38 PolarHBondContact O-N 3.08Å; W36-E39 PolarHBondContact O-N 3.01Å; W36-L40 WeakPolarHBondContact O-CB 3.44Å; W36-L40 WeakPolarHBondContact O-CG 3.33Å; W36-L40 PolarHBondContact O-N 2.9Å; W36-I906 HydrophobicContact CB-CG2 3.92Å; W36-I906 VanDerWaalsContact CD1-O 3.31Å; W36-I906 HydrophobicContact CG-CG2 4.08Å; W36-I906 PolarHBondContact NE1-O 3.02Å; W36-T907 HydrophobicContact CE3-CG2 4.36Å; W36-T907 WeakPolarHBondContact CZ2-O 3.23Å; W36-T909 PolarHBondContact NE1-O 2.77Å; W36-F911 AromaticContact CD1-CE2 3.65Å; W36-F911 AromaticContact NE1-CE2 3.81Å; W36-F923 HydrophobicContact CH2-CE1 4.23Å; W36-F923 HydrophobicContact CH2-CZ 4.4Å; W36-F923 HydrophobicContact CZ3-CE1 4.2Å; W36-F923 HydrophobicContact CZ3-CZ 4.45Å; W36-L1358 HydrophobicContact CB-CD2 3.93Å; W36-I1360 HydrophobicContact CE3-CD1 3.83Å; W36-I1360 HydrophobicContact CZ3-CD1 3.52Å |
| 37 | V | 93.2 | Very high | 89.1 | Confident | 4 Ų | 4 | 38.1 Ų | 38.1 | 2% | 0.024 | 19% | 0.188 | C | C | . | . | H | α-helix | trans | -59 | -42.5 | 175.4 | 174.1 | 0 | 0 | 0 | 0 | 111.6 | F33 R35 S41 K1349 K1350 I1351 L1358 | F33-V37 HydrophobicContact CD2-CG2 4.47Å; F33-V37 HydrophobicContact CE2-CG2 4.24Å; F33-V37 HydrophobicContact CZ-CG2 4.38Å; F33-V37 WeakPolarHBondContact O-CG2 3.3Å; F33-V37 PolarHBondContact O-N 3.05Å; R35-V37 VanDerWaalsContact C-N 3.34Å; R35-V37 PolarHBondContact O-N 3.46Å; V37-S41 WeakPolarHBondContact O-CB 3.28Å; V37-S41 PolarHBondContact O-N 3.06Å; V37-K1349 HydrophobicContact CB-CD 4.41Å; V37-K1349 HydrophobicContact CG1-CD 4.21Å; V37-K1349 HydrophobicContact CG1-CG 4.28Å; V37-K1349 HydrophobicContact CG2-CB 4.12Å; V37-K1349 HydrophobicContact CG2-CD 4.14Å; V37-K1349 HydrophobicContact CG2-CG 4.36Å; V37-K1350 WeakPolarHBondContact CG1-O 3.41Å; V37-I1351 HydrophobicContact CG1-CG1 4.49Å; V37-L1358 HydrophobicContact CG2-CB 3.95Å; V37-L1358 HydrophobicContact CG2-CD2 3.72Å; V37-L1358 HydrophobicContact CG2-CG 4.46Å |
| 38 | T | 93.1 | Very high | 89.7 | Confident | 81 Ų | 81 | 36.5 Ų | 36.5 | 50% | 0.497 | 18% | 0.179 | S | C | . | . | H | α-helix | trans | -66.3 | -44.4 | 179.5 | -55.3 | 0 | 0 | 0 | 0 | 111.8 | D34 R35 W36 S41 K42 | D34-T38 PolarHBondContact O-N 2.91Å; D34-T38 PolarHBondContact O-OG1 2.92Å; R35-T38 WeakPolarHBondContact O-CB 3.33Å; R35-T38 PolarHBondContact O-N 2.97Å; R35-T38 VanDerWaalsContact O-N 3.14Å; W36-T38 VanDerWaalsContact C-N 3.3Å; W36-T38 PolarHBondContact O-N 3.08Å; T38-S41 PolarHBondContact O-N 3.13Å; T38-K42 WeakPolarHBondContact O-CB 3.44Å; T38-K42 PolarHBondContact O-N 2.68Å |
| 39 | E | 94 | Very high | 90.1 | Very high | 33 Ų | 33 | 38.3 Ų | 38.3 | 15% | 0.154 | 19% | 0.191 | C | C | . | . | H | α-helix | trans | -68.8 | -39.6 | 178.3 | -65.2 | -61 | 152.9 | 0 | 0 | 111.8 | R35 W36 K42 S43 I906 F911 | R35-E39 HydrophobicContact CG-CG 4.41Å; R35-E39 IonicContact CZ-OE1 3.99Å; R35-E39 VanDerWaalsContact CZ-OE1 3.29Å; R35-E39 IonicContact NE-OE1 3.07Å; R35-E39 PolarHBondContact NE-OE1 3.45Å; R35-E39 IonicContact NH2-OE1 2.84Å; R35-E39 PolarHBondContact NH2-OE1 3.5Å; R35-E39 WeakPolarHBondContact O-CG 3.4Å; R35-E39 PolarHBondContact O-N 3.47Å; W36-E39 PolarHBondContact O-N 3.01Å; E39-K42 PolarHBondContact O-N 3.17Å; E39-S43 WeakPolarHBondContact O-CB 3.32Å; E39-S43 PolarHBondContact O-N 2.8Å; E39-S43 PolarHBondContact O-OG 2.99Å; E39-I906 HydrophobicContact CB-CD1 4.22Å; E39-I906 HydrophobicContact CB-CG1 4.41Å; E39-I906 HydrophobicContact CB-CG2 4.11Å; E39-F911 HydrophobicContact CG-CZ 4.13Å |
| 40 | L | 94.3 | Very high | 90.6 | Very high | 0 Ų | 0 | 37.8 Ų | 37.8 | 0% | 0 | 19% | 0.189 | C | C | . | . | H | α-helix | trans | -60.2 | -46.8 | 173.9 | -79.2 | 165.7 | 0 | 0 | 0 | 111.2 | W36 K42 S43 F44 I906 I927 I1351 L1358 | W36-L40 WeakPolarHBondContact O-CB 3.44Å; W36-L40 WeakPolarHBondContact O-CG 3.33Å; W36-L40 PolarHBondContact O-N 2.9Å; L40-K42 VanDerWaalsContact C-N 3.34Å; L40-K42 PolarHBondContact O-N 2.84Å; L40-S43 PolarHBondContact O-N 3.16Å; L40-F44 HydrophobicContact CB-CE2 4.34Å; L40-F44 HydrophobicContact CD2-CE2 4.16Å; L40-F44 HydrophobicContact CD2-CZ 4.09Å; L40-F44 WeakPolarHBondContact O-CD2 3.42Å; L40-F44 WeakPolarHBondContact O-CG 3.28Å; L40-F44 PolarHBondContact O-N 3.48Å; L40-I906 HydrophobicContact CB-CD1 4.48Å; L40-I906 HydrophobicContact CD2-CD1 3.66Å; L40-I906 HydrophobicContact CG-CD1 3.85Å; L40-I906 HydrophobicContact CG-CG2 4.28Å; L40-I927 HydrophobicContact CD1-CD1 4.5Å; L40-I927 HydrophobicContact CD2-CD1 4.21Å; L40-I1351 HydrophobicContact CB-CD1 4.21Å; L40-I1351 HydrophobicContact CB-CG2 4.34Å; L40-I1351 HydrophobicContact CD1-CD1 4.02Å; L40-L1358 HydrophobicContact CD1-CD1 4.15Å; L40-L1358 HydrophobicContact CD1-CD2 4.14Å |
| 41 | S | 93.9 | Very high | 91.1 | Very high | 19 Ų | 19 | 35.5 Ų | 35.5 | 13% | 0.133 | 18% | 0.179 | C | C | . | . | H | α-helix | trans | -59.4 | -44.8 | 176.9 | -176.8 | 0 | 0 | 0 | 0 | 111.9 | V37 T38 S43 F44 S45 P1352 | V37-S41 WeakPolarHBondContact O-CB 3.28Å; V37-S41 PolarHBondContact O-N 3.06Å; T38-S41 PolarHBondContact O-N 3.13Å; S41-S43 PolarHBondContact O-N 3.32Å; S41-F44 PolarHBondContact O-N 3.47Å; S41-S45 VanDerWaalsContact O-CB 3.29Å; S41-S45 WeakPolarHBondContact O-CB 3.39Å; S41-S45 PolarHBondContact O-N 2.78Å; S41-P1352 PolarHBondContact OG-O 3.07Å |
| 42 | K | 93.4 | Very high | 91.4 | Very high | 129 Ų | 129 | 30.4 Ų | 30.4 | 56% | 0.561 | 16% | 0.155 | S | C | * | . | H | α-helix | trans | -59.7 | -47.7 | 175.8 | -175.2 | -178.2 | 175.1 | -172.2 | 0 | 111.1 | T38 E39 L40 S45 | T38-K42 WeakPolarHBondContact O-CB 3.44Å; T38-K42 PolarHBondContact O-N 2.68Å; E39-K42 PolarHBondContact O-N 3.17Å; L40-K42 VanDerWaalsContact C-N 3.34Å; L40-K42 PolarHBondContact O-N 2.84Å; K42-S45 PolarHBondContact O-N 3.36Å; K42-S45 PolarHBondContact O-OG 3.36Å |
| 43 | S | 93.2 | Very high | 91.7 | Very high | 5 Ų | 5 | 30.5 Ų | 30.5 | 4% | 0.035 | 16% | 0.155 | C | C | . | . | H | α-helix | trans | -62.2 | -45 | 179.1 | -81.2 | 0 | 0 | 0 | 0 | 112.9 | E39 L40 S41 E46 W794 E902 | E39-S43 WeakPolarHBondContact O-CB 3.32Å; E39-S43 PolarHBondContact O-N 2.8Å; E39-S43 PolarHBondContact O-OG 2.99Å; L40-S43 PolarHBondContact O-N 3.16Å; S41-S43 PolarHBondContact O-N 3.32Å; S43-E46 WeakPolarHBondContact O-CB 3.24Å; S43-E46 PolarHBondContact O-N 3.5Å; S43-W794 WeakPolarHBondContact O-CZ2 3.26Å; S43-E902 VanDerWaalsContact CB-OE1 3.29Å; S43-E902 WeakPolarHBondContact CB-OE1 3.19Å; S43-E902 PolarHBondContact OG-OE1 3.38Å |
| 44 | F | 93.2 | Very high | 91.7 | Very high | 2 Ų | 2 | 33.3 Ų | 33.3 | 1% | 0.009 | 17% | 0.173 | C | C | . | . | H | α-helix | trans | -70.6 | -30 | 177.6 | -64.2 | -35.4 | 0 | 0 | 0 | 113.1 | L40 S41 E46 L47 W794 F852 I927 I1351 T1354 L1356 | L40-F44 HydrophobicContact CB-CE2 4.34Å; L40-F44 HydrophobicContact CD2-CE2 4.16Å; L40-F44 HydrophobicContact CD2-CZ 4.09Å; L40-F44 WeakPolarHBondContact O-CD2 3.42Å; L40-F44 WeakPolarHBondContact O-CG 3.28Å; L40-F44 PolarHBondContact O-N 3.48Å; S41-F44 PolarHBondContact O-N 3.47Å; F44-E46 PolarHBondContact O-N 3.5Å; F44-L47 HydrophobicContact CD1-CD1 4.42Å; F44-L47 WeakPolarHBondContact O-CB 3.45Å; F44-L47 PolarHBondContact O-N 3.35Å; F44-W794 AromaticContact CD1-CH2 3.62Å; F44-W794 HydrophobicContact CD1-CH2 3.62Å; F44-W794 HydrophobicContact CD1-CZ2 4.09Å; F44-W794 HydrophobicContact CD1-CZ3 4.43Å; F44-W794 AromaticContact CE1-CH2 3.6Å; F44-W794 HydrophobicContact CE1-CH2 3.6Å; F44-W794 HydrophobicContact CE1-CZ2 4.49Å; F44-W794 HydrophobicContact CE1-CZ3 4.21Å; F44-F852 HydrophobicContact CB-CE2 4.49Å; F44-F852 HydrophobicContact CB-CZ 4.18Å; F44-F852 HydrophobicContact CD1-CE1 4.34Å; F44-F852 AromaticContact CD1-CZ 3.8Å; F44-F852 HydrophobicContact CD1-CZ 3.8Å; F44-F852 HydrophobicContact CD2-CZ 4.37Å; F44-F852 HydrophobicContact CE1-CE1 4.41Å; F44-F852 HydrophobicContact CE1-CZ 4.24Å; F44-F852 HydrophobicContact CG-CE2 4.36Å; F44-F852 AromaticContact CG-CZ 3.88Å; F44-F852 HydrophobicContact CG-CZ 3.88Å; F44-I927 HydrophobicContact CZ-CD1 4.35Å; F44-I1351 HydrophobicContact CD2-CG2 4.16Å; F44-I1351 HydrophobicContact CE2-CD1 4.17Å; F44-T1354 HydrophobicContact CB-CG2 4.1Å; F44-T1354 HydrophobicContact CD2-CG2 4.15Å; F44-L1356 HydrophobicContact CD2-CD1 4.4Å; F44-L1356 HydrophobicContact CE2-CD1 3.87Å; F44-L1356 HydrophobicContact CZ-CD1 4.34Å |
| 45 | S | 89.7 | Confident | 91.9 | Very high | 48 Ų | 48 | 33.8 Ų | 33.8 | 34% | 0.336 | 17% | 0.172 | S | C | . | . | H | α-helix | trans | -62.3 | -24.2 | 177.8 | 75.5 | 0 | 0 | 0 | 0 | 113.7 | S41 K42 L47 H48 | S41-S45 VanDerWaalsContact O-CB 3.29Å; S41-S45 WeakPolarHBondContact O-CB 3.39Å; S41-S45 PolarHBondContact O-N 2.78Å; K42-S45 PolarHBondContact O-N 3.36Å; K42-S45 PolarHBondContact O-OG 3.36Å; S45-L47 VanDerWaalsContact C-N 3.26Å; S45-L47 PolarHBondContact O-N 3.21Å; S45-H48 PolarHBondContact O-N 3.08Å |
| 46 | E | 89.9 | Confident | 92.1 | Very high | 56 Ų | 56 | 28.2 Ų | 28.2 | 26% | 0.262 | 15% | 0.152 | S | C | . | . | H | α-helix | trans | -60.3 | -37.3 | 173.7 | -63.6 | 173.6 | -174 | 0 | 0 | 111.6 | S43 F44 H48 T49 K793 W794 | S43-E46 WeakPolarHBondContact O-CB 3.24Å; S43-E46 PolarHBondContact O-N 3.5Å; F44-E46 PolarHBondContact O-N 3.5Å; E46-H48 PolarHBondContact O-N 3.47Å; E46-T49 PolarHBondContact O-N 3.22Å; E46-T49 PolarHBondContact O-OG1 3.01Å; E46-K793 VanDerWaalsContact CD-NZ 3.26Å; E46-K793 IonicContact OE1-NZ 2.78Å; E46-K793 PolarHBondContact OE1-NZ 3.45Å; E46-K793 WeakPolarHBondContact OE2-CD 3.45Å; E46-K793 IonicContact OE2-NZ 2.72Å; E46-K793 PolarHBondContact OE2-NZ 2.98Å; E46-W794 PolarHBondContact OE2-NE1 3.4Å |
| 47 | L | 92.3 | Very high | 92 | Very high | 0 Ų | 0 | 29.7 Ų | 29.7 | 0% | 0 | 16% | 0.158 | C | C | . | . | H | α-helix | trans | -66.4 | -36 | -177.7 | -65.8 | 170.3 | 0 | 0 | 0 | 112.2 | F44 S45 T49 I50 T51 W794 I796 L850 F852 L874 L892 I894 | F44-L47 HydrophobicContact CD1-CD1 4.42Å; F44-L47 WeakPolarHBondContact O-CB 3.45Å; F44-L47 PolarHBondContact O-N 3.35Å; S45-L47 VanDerWaalsContact C-N 3.26Å; S45-L47 PolarHBondContact O-N 3.21Å; L47-T49 PolarHBondContact O-N 3.02Å; L47-I50 PolarHBondContact O-N 3.16Å; L47-T51 PolarHBondContact O-N 3.22Å; L47-W794 HydrophobicContact CD1-CD2 4.18Å; L47-W794 HydrophobicContact CD1-CE3 4.35Å; L47-W794 HydrophobicContact CD1-CZ2 4.38Å; L47-W794 HydrophobicContact CD2-CB 3.87Å; L47-W794 HydrophobicContact CD2-CD2 3.89Å; L47-W794 HydrophobicContact CD2-CG 3.51Å; L47-W794 HydrophobicContact CG-CD2 4.24Å; L47-W794 HydrophobicContact CG-CG 4.3Å; L47-I796 HydrophobicContact CD2-CD1 3.78Å; L47-I796 HydrophobicContact CD2-CG1 4.32Å; L47-L850 HydrophobicContact CB-CD2 3.89Å; L47-L850 HydrophobicContact CD1-CD2 4.42Å; L47-F852 HydrophobicContact CD1-CE1 4.43Å; L47-F852 HydrophobicContact CD1-CZ 4.2Å; L47-L874 HydrophobicContact CD1-CD2 3.93Å; L47-L892 HydrophobicContact CB-CD1 4.35Å; L47-L892 HydrophobicContact CD2-CD1 4.27Å; L47-I894 HydrophobicContact CD1-CD1 4.45Å |
| 48 | H | 89.6 | Confident | 92 | Very high | 31 Ų | 31 | 32.8 Ų | 32.8 | 14% | 0.144 | 18% | 0.18 | C | C | . | . | H | α-helix | trans | -57.2 | -38.8 | -179.1 | 179.5 | 69.7 | 0 | 0 | 0 | 112 | S45 E46 I50 T51 E53 | S45-H48 PolarHBondContact O-N 3.08Å; E46-H48 PolarHBondContact O-N 3.47Å; H48-I50 PolarHBondContact O-N 3.42Å; H48-T51 PolarHBondContact O-N 3.28Å; H48-T51 PolarHBondContact O-OG1 2.94Å; H48-E53 IonicContact CE1-OE2 3.07Å; H48-E53 PolarHBondContact CE1-OE2 3.27Å; H48-E53 IonicContact NE2-OE2 3.42Å; H48-E53 PolarHBondContact NE2-OE2 3.15Å |
| 49 | T | 84.9 | Confident | 92 | Very high | 68 Ų | 68 | 29.6 Ų | 29.6 | 42% | 0.417 | 16% | 0.16 | S | C | . | . | H | α-helix | trans | -64.4 | -25.4 | 179.2 | 66.5 | 0 | 0 | 0 | 0 | 113.5 | E46 L47 Y781 | E46-T49 PolarHBondContact O-N 3.22Å; E46-T49 PolarHBondContact O-OG1 3.01Å; L47-T49 PolarHBondContact O-N 3.02Å; T49-Y781 PolarHBondContact O-OH 3.11Å |
| 50 | I | 91.7 | Very high | 92 | Very high | 0 Ų | 0 | 28 Ų | 28 | 0% | 0 | 15% | 0.152 | C | C | . | . | H | α-helix | trans | -85.3 | -30 | -176.3 | -58.6 | 166.2 | 0 | 0 | 0 | 111.4 | L47 H48 G52 W782 Q785 I791 I796 F813 L892 | L47-I50 PolarHBondContact O-N 3.16Å; H48-I50 PolarHBondContact O-N 3.42Å; I50-G52 PolarHBondContact O-N 3.21Å; I50-W782 PolarHBondContact O-NE1 3.07Å; I50-Q785 HydrophobicContact CG2-CB 4.42Å; I50-I791 HydrophobicContact CD1-CD1 4.17Å; I50-I791 HydrophobicContact CG2-CD1 3.53Å; I50-I796 HydrophobicContact CB-CD1 4.48Å; I50-I796 HydrophobicContact CD1-CD1 3.36Å; I50-I796 HydrophobicContact CG2-CD1 4.09Å; I50-F813 HydrophobicContact CG2-CZ 4.43Å; I50-L892 HydrophobicContact CB-CD1 4.05Å; I50-L892 HydrophobicContact CG2-CD1 4.13Å; I50-L892 HydrophobicContact CG2-CD2 3.97Å |
| 51 | T | 92.5 | Very high | 91.8 | Very high | 0 Ų | 0 | 34.1 Ų | 34.1 | 0% | 0 | 18% | 0.179 | C | C | . | . | H | α-helix | trans | -49.8 | -36.9 | -176.2 | 63.5 | 0 | 0 | 0 | 0 | 113.5 | L47 H48 E53 W782 L850 L874 T876 L892 | L47-T51 PolarHBondContact O-N 3.22Å; H48-T51 PolarHBondContact O-N 3.28Å; H48-T51 PolarHBondContact O-OG1 2.94Å; T51-E53 WeakPolarHBondContact OG1-CB 3.4Å; T51-E53 PolarHBondContact OG1-N 2.93Å; T51-E53 VanDerWaalsContact OG1-N 3.11Å; T51-W782 PolarHBondContact O-NE1 3.38Å; T51-W782 VanDerWaalsContact O-NE1 3.1Å; T51-L850 HydrophobicContact CG2-CD1 4.16Å; T51-L874 HydrophobicContact CG2-CD1 4.42Å; T51-T876 HydrophobicContact CG2-CG2 4.38Å; T51-L892 HydrophobicContact CG2-CD1 4.21Å; T51-L892 HydrophobicContact CG2-CG 4.15Å |
| 52 | G | 91.9 | Very high | 91.7 | Very high | 0 Ų | 0 | 35.7 Ų | 35.7 | 0% | 0 | 19% | 0.187 | C | C | . | . | S | Bend | trans | 95.5 | 1.1 | -171 | 0 | 0 | 0 | 0 | 0 | 113.6 | I50 Y55 L56 | I50-G52 PolarHBondContact O-N 3.21Å; G52-Y55 WeakPolarHBondContact O-CB 3.47Å; G52-Y55 PolarHBondContact O-N 3.47Å; G52-L56 PolarHBondContact O-N 2.91Å |
| 53 | E | 93.3 | Very high | 91.5 | Very high | 2 Ų | 2 | 33.3 Ų | 33.3 | 1% | 0.009 | 19% | 0.192 | C | C | . | . | H | α-helix | trans | -54.1 | -48.8 | 176.8 | -176.5 | -75.5 | 150.6 | 0 | 0 | 112.3 | H48 T51 Y55 L56 K57 T876 V878 V890 | H48-E53 IonicContact CE1-OE2 3.07Å; H48-E53 PolarHBondContact CE1-OE2 3.27Å; H48-E53 IonicContact NE2-OE2 3.42Å; H48-E53 PolarHBondContact NE2-OE2 3.15Å; T51-E53 WeakPolarHBondContact OG1-CB 3.4Å; T51-E53 PolarHBondContact OG1-N 2.93Å; T51-E53 VanDerWaalsContact OG1-N 3.11Å; E53-Y55 PolarHBondContact O-N 3.49Å; E53-L56 PolarHBondContact O-N 3.01Å; E53-K57 WeakPolarHBondContact O-CB 3.45Å; E53-K57 PolarHBondContact O-N 3.29Å; E53-K57 WeakPolarHBondContact OE1-CD 3.01Å; E53-T876 HydrophobicContact CB-CG2 3.68Å; E53-T876 HydrophobicContact CG-CG2 3.83Å; E53-V878 HydrophobicContact CG-CG2 4.29Å; E53-V890 HydrophobicContact CB-CG2 3.69Å |
| 54 | P | 89.4 | Confident | 91.5 | Very high | 59 Ų | 59 | 35.7 Ų | 35.7 | 38% | 0.383 | 21% | 0.205 | S | C | . | . | H | α-helix | trans | -63.7 | -33.2 | -177.1 | -24.1 | 35 | 0 | 0 | 0 | 112.3 | S58 | P54-S58 PolarHBondContact O-N 2.81Å |
| 55 | Y | 92.9 | Very high | 91.6 | Very high | 53 Ų | 53 | 35.7 Ų | 35.7 | 21% | 0.208 | 21% | 0.205 | C | C | . | . | H | α-helix | trans | -68.2 | -51.5 | 176.9 | 176.6 | -98.1 | 0 | 0 | 0 | 110.9 | G52 E53 K57 S58 I59 D777 L778 Y781 | G52-Y55 WeakPolarHBondContact O-CB 3.47Å; G52-Y55 PolarHBondContact O-N 3.47Å; E53-Y55 PolarHBondContact O-N 3.49Å; Y55-K57 PolarHBondContact O-N 3.32Å; Y55-S58 WeakPolarHBondContact O-CB 3.37Å; Y55-S58 PolarHBondContact O-N 3.22Å; Y55-S58 VanDerWaalsContact O-N 3.15Å; Y55-S58 PolarHBondContact O-OG 2.86Å; Y55-I59 HydrophobicContact CD1-CD1 3.82Å; Y55-I59 HydrophobicContact CE1-CD1 3.22Å; Y55-I59 HydrophobicContact CE1-CG1 4.41Å; Y55-I59 HydrophobicContact CE2-CD1 4.46Å; Y55-I59 PolarHBondContact O-N 2.57Å; Y55-D777 VanDerWaalsContact OH-CB 3.28Å; Y55-D777 WeakPolarHBondContact OH-CB 3.26Å; Y55-L778 HydrophobicContact CD1-CB 4.46Å; Y55-L778 HydrophobicContact CD1-CD1 3.73Å; Y55-L778 HydrophobicContact CE1-CB 4.06Å; Y55-L778 HydrophobicContact CE1-CD1 4.19Å; Y55-Y781 HydrophobicContact CD2-CD2 4.07Å; Y55-Y781 HydrophobicContact CG-CD2 4.07Å; Y55-Y781 HydrophobicContact CG-CG 4.27Å |
| 56 | L | 94.1 | Very high | 91.8 | Very high | 2 Ų | 2 | 33.4 Ų | 33.4 | 1% | 0.01 | 19% | 0.189 | C | C | . | . | H | α-helix | trans | -67.8 | -34.9 | 179.2 | -66.9 | 179.3 | 0 | 0 | 0 | 112.8 | G52 E53 S58 I59 Y60 T775 L778 V878 V890 | G52-L56 PolarHBondContact O-N 2.91Å; E53-L56 PolarHBondContact O-N 3.01Å; L56-S58 PolarHBondContact O-N 3.4Å; L56-I59 HydrophobicContact CD2-CD1 3.92Å; L56-I59 WeakPolarHBondContact O-CB 3.31Å; L56-I59 PolarHBondContact O-N 3.4Å; L56-Y60 HydrophobicContact CB-CD2 4.34Å; L56-Y60 HydrophobicContact CB-CE2 4.06Å; L56-Y60 VanDerWaalsContact O-CD2 3.23Å; L56-Y60 WeakPolarHBondContact O-CD2 3.33Å; L56-Y60 PolarHBondContact O-N 3.2Å; L56-T775 HydrophobicContact CD2-CG2 3.86Å; L56-L778 HydrophobicContact CD1-CD2 4.23Å; L56-L778 HydrophobicContact CD2-CD1 4.31Å; L56-L778 HydrophobicContact CD2-CD2 4.09Å; L56-L778 HydrophobicContact CG-CD1 4.32Å; L56-L778 HydrophobicContact CG-CD2 4.45Å; L56-V878 HydrophobicContact CB-CG1 3.88Å; L56-V878 HydrophobicContact CB-CG2 4.21Å; L56-V878 HydrophobicContact CD1-CG2 4.21Å; L56-V890 HydrophobicContact CD1-CG1 3.3Å |
| 57 | K | 92.4 | Very high | 92 | Very high | 31 Ų | 31 | 32.1 Ų | 32.1 | 14% | 0.135 | 19% | 0.188 | C | C | . | . | H | α-helix | trans | -58.5 | -35.1 | 173.3 | -169.3 | 173.7 | -163.9 | 159.3 | 0 | 111.3 | E53 Y55 K61 V878 E881 | E53-K57 WeakPolarHBondContact O-CB 3.45Å; E53-K57 PolarHBondContact O-N 3.29Å; E53-K57 WeakPolarHBondContact OE1-CD 3.01Å; Y55-K57 PolarHBondContact O-N 3.32Å; K57-K61 VanDerWaalsContact O-CG 3.31Å; K57-K61 WeakPolarHBondContact O-CG 3.47Å; K57-K61 PolarHBondContact O-N 3.38Å; K57-V878 HydrophobicContact CB-CG1 4.27Å; K57-E881 IonicContact NZ-OE1 3.98Å; K57-E881 PolarHBondContact NZ-OE1 3.07Å |
| 58 | S | 92.5 | Very high | 91.9 | Very high | 69 Ų | 69 | 34.8 Ų | 34.8 | 48% | 0.483 | 20% | 0.2 | S | C | . | . | H | α-helix | trans | -70.1 | -35.8 | 175.2 | 79 | 0 | 0 | 0 | 0 | 112.9 | P54 Y55 L56 | P54-S58 PolarHBondContact O-N 2.81Å; Y55-S58 WeakPolarHBondContact O-CB 3.37Å; Y55-S58 PolarHBondContact O-N 3.22Å; Y55-S58 VanDerWaalsContact O-N 3.15Å; Y55-S58 PolarHBondContact O-OG 2.86Å; L56-S58 PolarHBondContact O-N 3.4Å |
| 59 | I | 93.3 | Very high | 92 | Very high | 14 Ų | 14 | 38.6 Ų | 38.6 | 7% | 0.072 | 22% | 0.218 | C | C | . | . | H | α-helix | trans | -67.5 | -47.8 | 176.8 | -71.3 | 164.8 | 0 | 0 | 0 | 110.9 | Y55 L56 K61 T62 F65 E774 | Y55-I59 HydrophobicContact CD1-CD1 3.82Å; Y55-I59 HydrophobicContact CE1-CD1 3.22Å; Y55-I59 HydrophobicContact CE1-CG1 4.41Å; Y55-I59 HydrophobicContact CE2-CD1 4.46Å; Y55-I59 PolarHBondContact O-N 2.57Å; L56-I59 HydrophobicContact CD2-CD1 3.92Å; L56-I59 WeakPolarHBondContact O-CB 3.31Å; L56-I59 PolarHBondContact O-N 3.4Å; I59-K61 PolarHBondContact O-N 3.11Å; I59-K61 VanDerWaalsContact O-N 3.16Å; I59-T62 VanDerWaalsContact O-CB 3.27Å; I59-T62 WeakPolarHBondContact O-CB 3.44Å; I59-T62 WeakPolarHBondContact O-CG2 3.35Å; I59-T62 PolarHBondContact O-N 2.68Å; I59-T62 PolarHBondContact O-OG1 3.39Å; I59-F65 HydrophobicContact CG2-CE2 3.99Å; I59-E774 WeakPolarHBondContact CD1-O 3.19Å; I59-E774 HydrophobicContact CG2-CB 3.7Å |
| 60 | Y | 93.9 | Very high | 92.4 | Very high | 1 Ų | 1 | 35.3 Ų | 35.3 | 0% | 0.004 | 20% | 0.198 | C | C | . | . | H | α-helix | trans | -73.3 | -6.2 | -177.5 | -62.7 | -52.7 | 0 | 0 | 0 | 114 | L56 T62 F65 H803 V878 H880 M887 | L56-Y60 HydrophobicContact CB-CD2 4.34Å; L56-Y60 HydrophobicContact CB-CE2 4.06Å; L56-Y60 VanDerWaalsContact O-CD2 3.23Å; L56-Y60 WeakPolarHBondContact O-CD2 3.33Å; L56-Y60 PolarHBondContact O-N 3.2Å; Y60-T62 VanDerWaalsContact C-N 3.28Å; Y60-F65 AromaticContact CD1-CD1 3.92Å; Y60-F65 HydrophobicContact CD1-CD1 3.92Å; Y60-F65 AromaticContact CD1-CD2 3.76Å; Y60-F65 HydrophobicContact CD1-CD2 3.76Å; Y60-F65 AromaticContact CD1-CE1 3.93Å; Y60-F65 HydrophobicContact CD1-CE1 3.93Å; Y60-F65 AromaticContact CD1-CE2 3.79Å; Y60-F65 HydrophobicContact CD1-CE2 3.79Å; Y60-F65 AromaticContact CD1-CG 3.81Å; Y60-F65 HydrophobicContact CD1-CG 3.81Å; Y60-F65 AromaticContact CD1-CZ 3.87Å; Y60-F65 HydrophobicContact CD1-CZ 3.87Å; Y60-F65 HydrophobicContact CE1-CD1 4.3Å; Y60-F65 AromaticContact CE1-CE1 3.93Å; Y60-F65 HydrophobicContact CE1-CE1 3.93Å; Y60-F65 HydrophobicContact CE1-CE2 4.26Å; Y60-F65 AromaticContact CE1-CZ 3.91Å; Y60-F65 HydrophobicContact CE1-CZ 3.91Å; Y60-H803 PolarHBondContact OH-ND1 3.36Å; Y60-V878 HydrophobicContact CD2-CB 4.37Å; Y60-V878 HydrophobicContact CD2-CG1 3.57Å; Y60-V878 HydrophobicContact CE2-CB 4.27Å; Y60-V878 HydrophobicContact CE2-CG1 3.85Å; Y60-H880 PolarHBondContact O-CD2 2.97Å; Y60-M887 HydrophobicContact CD1-CB 4.07Å; Y60-M887 HydrophobicContact CD1-CE 3.62Å; Y60-M887 HydrophobicContact CD1-CG 4.18Å; Y60-M887 HydrophobicContact CD2-CB 3.48Å; Y60-M887 VanDerWaalsContact CD2-CB 3.48Å; Y60-M887 HydrophobicContact CD2-CG 3.95Å; Y60-M887 HydrophobicContact CE1-CB 4.13Å; Y60-M887 HydrophobicContact CE1-CE 3.91Å; Y60-M887 HydrophobicContact CE2-CB 3.52Å; Y60-M887 HydrophobicContact CE2-CG 4.44Å; Y60-M887 HydrophobicContact CG-CB 3.75Å; Y60-M887 HydrophobicContact CG-CE 4.18Å; Y60-M887 HydrophobicContact CG-CG 3.78Å |
| 61 | K | 90.8 | Very high | 92.5 | Very high | 128 Ų | 128 | 38.2 Ų | 38.2 | 56% | 0.557 | 21% | 0.213 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -81 | -7.4 | 168 | -76.5 | 174.2 | 178.8 | -175.8 | 0 | 113.5 | K57 I59 | K57-K61 VanDerWaalsContact O-CG 3.31Å; K57-K61 WeakPolarHBondContact O-CG 3.47Å; K57-K61 PolarHBondContact O-N 3.38Å; I59-K61 PolarHBondContact O-N 3.11Å; I59-K61 VanDerWaalsContact O-N 3.16Å |
| 62 | T | 90.2 | Very high | 92.6 | Very high | 51 Ų | 51 | 42.2 Ų | 42.2 | 31% | 0.313 | 23% | 0.232 | S | C | . | . | S | Bend | trans | -68.9 | 160 | 177.8 | 62.7 | 0 | 0 | 0 | 0 | 111.2 | I59 Y60 N64 F65 | I59-T62 VanDerWaalsContact O-CB 3.27Å; I59-T62 WeakPolarHBondContact O-CB 3.44Å; I59-T62 WeakPolarHBondContact O-CG2 3.35Å; I59-T62 PolarHBondContact O-N 2.68Å; I59-T62 PolarHBondContact O-OG1 3.39Å; Y60-T62 VanDerWaalsContact C-N 3.28Å; T62-N64 PolarHBondContact O-N 3.39Å; T62-F65 PolarHBondContact O-N 3.43Å; T62-F65 WeakPolarHBondContact OG1-CD2 3.31Å |
| 63 | A | 90.3 | Very high | 92.7 | Very high | 80 Ų | 80 | 47.4 Ų | 47.4 | 66% | 0.661 | 26% | 0.263 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -63.2 | -13 | -177.5 | 0 | 0 | 0 | 0 | 0 | 114.5 | F65 R679 | A63-F65 VanDerWaalsContact C-N 3.26Å; A63-F65 PolarHBondContact O-N 3.02Å; A63-R679 WeakPolarHBondContact O-CD 3.26Å |
| 64 | N | 93.1 | Very high | 92.8 | Very high | 55 Ų | 55 | 49.1 Ų | 49.1 | 29% | 0.294 | 27% | 0.273 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -75.3 | -16 | -179.5 | -65.2 | -12.3 | 0 | 0 | 0 | 112.8 | T62 R679 L770 E774 | T62-N64 PolarHBondContact O-N 3.39Å; N64-R679 PolarHBondContact O-N 2.95Å; N64-L770 HydrophobicContact CB-CD1 4.29Å; N64-L770 HydrophobicContact CB-CD2 4.26Å; N64-E774 PolarHBondContact ND2-OE1 2.78Å |
| 65 | F | 94.7 | Very high | 93.1 | Very high | 2 Ų | 2 | 46.3 Ų | 46.3 | 1% | 0.009 | 25% | 0.254 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.2 | 152.4 | -179.3 | -55.7 | -79.1 | 0 | 0 | 0 | 110.8 | I59 Y60 T62 A63 E677 Y678 L770 D771 E774 M887 | I59-F65 HydrophobicContact CG2-CE2 3.99Å; Y60-F65 AromaticContact CD1-CD1 3.92Å; Y60-F65 HydrophobicContact CD1-CD1 3.92Å; Y60-F65 AromaticContact CD1-CD2 3.76Å; Y60-F65 HydrophobicContact CD1-CD2 3.76Å; Y60-F65 AromaticContact CD1-CE1 3.93Å; Y60-F65 HydrophobicContact CD1-CE1 3.93Å; Y60-F65 AromaticContact CD1-CE2 3.79Å; Y60-F65 HydrophobicContact CD1-CE2 3.79Å; Y60-F65 AromaticContact CD1-CG 3.81Å; Y60-F65 HydrophobicContact CD1-CG 3.81Å; Y60-F65 AromaticContact CD1-CZ 3.87Å; Y60-F65 HydrophobicContact CD1-CZ 3.87Å; Y60-F65 HydrophobicContact CE1-CD1 4.3Å; Y60-F65 AromaticContact CE1-CE1 3.93Å; Y60-F65 HydrophobicContact CE1-CE1 3.93Å; Y60-F65 HydrophobicContact CE1-CE2 4.26Å; Y60-F65 AromaticContact CE1-CZ 3.91Å; Y60-F65 HydrophobicContact CE1-CZ 3.91Å; T62-F65 PolarHBondContact O-N 3.43Å; T62-F65 WeakPolarHBondContact OG1-CD2 3.31Å; A63-F65 VanDerWaalsContact C-N 3.26Å; A63-F65 PolarHBondContact O-N 3.02Å; F65-E677 CarbonylContact C-O 3.57Å; F65-E677 WeakPolarHBondContact CA-O 3.24Å; F65-Y678 HydrophobicContact CD1-CD1 4.14Å; F65-Y678 HydrophobicContact CD1-CE1 4.19Å; F65-Y678 AromaticContact CE1-CD1 3.85Å; F65-Y678 HydrophobicContact CE1-CD1 3.85Å; F65-Y678 AromaticContact CE1-CE1 3.73Å; F65-Y678 HydrophobicContact CE1-CE1 3.73Å; F65-L770 HydrophobicContact CE1-CD2 4.27Å; F65-L770 HydrophobicContact CE1-CG 4.27Å; F65-L770 HydrophobicContact CZ-CG 4.18Å; F65-D771 WeakPolarHBondContact CE1-OD1 3.26Å; F65-E774 HydrophobicContact CE2-CB 4.13Å; F65-E774 HydrophobicContact CE2-CG 3.86Å; F65-E774 HydrophobicContact CZ-CB 4.07Å; F65-E774 HydrophobicContact CZ-CG 3.87Å; F65-M887 HydrophobicContact CB-CE 3.97Å; F65-M887 HydrophobicContact CD1-CE 3.47Å; F65-M887 VanDerWaalsContact CD1-CE 3.47Å; F65-M887 HydrophobicContact CE1-CE 4.22Å; F65-M887 HydrophobicContact CG-CE 3.95Å |
| 66 | G | 94.2 | Very high | 93.2 | Very high | 0 Ų | 0 | 45.9 Ų | 45.9 | 0% | 0 | 26% | 0.257 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -156.6 | -163.1 | 178.7 | 0 | 0 | 0 | 0 | 0 | 111.5 | E677 | G66-E677 PolarHBondContact N-O 3.04Å; G66-E677 PolarHBondContact O-N 3.31Å |
| 67 | A | 93.3 | Very high | 93.3 | Very high | 29 Ų | 29 | 52.3 Ų | 52.3 | 24% | 0.24 | 29% | 0.285 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.7 | 132.3 | 177.7 | 0 | 0 | 0 | 0 | 0 | 110.1 | P674 I675 S883 T885 | A67-P674 HydrophobicContact CB-CB 4.47Å; A67-I675 WeakPolarHBondContact CA-O 3.46Å; A67-S883 WeakPolarHBondContact CB-OG 3.27Å; A67-T885 HydrophobicContact CB-CG2 4.24Å; A67-T885 WeakPolarHBondContact CB-OG1 3.38Å |
| 68 | E | 91.7 | Very high | 93.4 | Very high | 55 Ų | 55 | 51.8 Ų | 51.8 | 26% | 0.257 | 28% | 0.282 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.3 | 122.7 | 171 | -179 | -178.6 | -166.5 | 0 | 0 | 108.5 | Y78 P674 I675 | E68-Y78 PolarHBondContact OE2-OH 3.48Å; E68-Y78 VanDerWaalsContact OE2-OH 3.13Å; E68-P674 CarbonylContact O-C 3.57Å; E68-P674 VanDerWaalsContact O-CA 3.3Å; E68-P674 WeakPolarHBondContact O-CA 3.45Å; E68-I675 HydrophobicContact CB-CG1 3.98Å; E68-I675 PolarHBondContact N-O 3.29Å; E68-I675 PolarHBondContact O-N 2.74Å |
| 69 | E | 91.1 | Very high | 93.6 | Very high | 111 Ų | 111 | 48.6 Ų | 48.6 | 52% | 0.519 | 26% | 0.26 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -77.6 | 134.1 | 173.2 | -65.8 | -173.8 | 171.3 | 0 | 0 | 110 | I74 K671 | E69-I74 WeakPolarHBondContact O-CD1 3.34Å; E69-K671 IonicContact OE1-NZ 3.05Å; E69-K671 IonicContact OE2-NZ 3.51Å; E69-K671 PolarHBondContact OE2-NZ 3.39Å |
| 70 | I | 92.8 | Very high | 93.8 | Very high | 0 Ų | 0 | 51 Ų | 51 | 0% | 0 | 27% | 0.273 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.6 | 109.6 | 175.1 | -58.5 | 179.4 | 0 | 0 | 0 | 108.4 | A75 I663 G672 I675 | I70-A75 HydrophobicContact CG2-CB 3.99Å; I70-I663 HydrophobicContact CG2-CG2 4.33Å; I70-G672 PolarHBondContact O-N 2.76Å; I70-I675 HydrophobicContact CD1-CB 4.5Å; I70-I675 HydrophobicContact CD1-CD1 4.11Å; I70-I675 HydrophobicContact CD1-CG1 4.18Å; I70-I675 HydrophobicContact CD1-CG2 3.59Å; I70-I675 HydrophobicContact CG1-CD1 4.23Å; I70-I675 HydrophobicContact CG1-CG1 4.13Å; I70-I675 HydrophobicContact CG1-CG2 4.33Å |
| 71 | N | 93.6 | Very high | 93.8 | Very high | 60 Ų | 60 | 53.9 Ų | 53.9 | 32% | 0.321 | 29% | 0.288 | S | S | . | . | trans | -103 | 178.2 | 165.8 | 66 | 21.2 | 0 | 0 | 0 | 110.4 | T73 I74 A75 | N71-T73 VanDerWaalsContact C-N 3.28Å; N71-T73 PolarHBondContact O-N 3.05Å; N71-T73 WeakPolarHBondContact OD1-CB 3.46Å; N71-T73 PolarHBondContact OD1-N 3.06Å; N71-I74 PolarHBondContact O-N 2.9Å; N71-I74 WeakPolarHBondContact OD1-CB 3.47Å; N71-I74 WeakPolarHBondContact OD1-CG1 3.33Å; N71-I74 PolarHBondContact OD1-N 2.81Å; N71-A75 PolarHBondContact O-N 3.01Å | ||
| 72 | E | 94.7 | Very high | 94 | Very high | 85 Ų | 85 | 47.8 Ų | 47.8 | 40% | 0.397 | 26% | 0.261 | S | S | . | . | H | α-helix | trans | -58 | -43 | -177.5 | -160 | 175.5 | 134.2 | 0 | 0 | 111.5 | I74 A75 T76 K646 F648 W665 | E72-I74 PolarHBondContact O-N 3.1Å; E72-A75 PolarHBondContact O-N 3.08Å; E72-T76 WeakPolarHBondContact O-CB 3.3Å; E72-T76 PolarHBondContact O-N 2.98Å; E72-T76 PolarHBondContact O-OG1 2.83Å; E72-K646 IonicContact OE2-NZ 2.95Å; E72-K646 PolarHBondContact OE2-NZ 2.65Å; E72-F648 HydrophobicContact CB-CE1 4.38Å; E72-F648 HydrophobicContact CG-CE1 3.5Å; E72-F648 HydrophobicContact CG-CZ 3.99Å; E72-W665 HydrophobicContact CB-CH2 4.34Å |
| 73 | T | 95.2 | Very high | 94.3 | Very high | 108 Ų | 108 | 46 Ų | 46 | 66% | 0.663 | 25% | 0.25 | S | S | * | . | H | α-helix | trans | -61.6 | -41.5 | 179.1 | -48.3 | 0 | 0 | 0 | 0 | 112.7 | N71 K77 | N71-T73 VanDerWaalsContact C-N 3.28Å; N71-T73 PolarHBondContact O-N 3.05Å; N71-T73 WeakPolarHBondContact OD1-CB 3.46Å; N71-T73 PolarHBondContact OD1-N 3.06Å; T73-K77 VanDerWaalsContact O-CB 3.29Å; T73-K77 WeakPolarHBondContact O-CB 3.23Å; T73-K77 PolarHBondContact O-N 2.94Å |
| 74 | I | 94.2 | Very high | 94.6 | Very high | 39 Ų | 39 | 48.7 Ų | 48.7 | 20% | 0.2 | 25% | 0.247 | C | C | . | . | H | α-helix | trans | -70.1 | -43.4 | 178.5 | -70.5 | 166.3 | 0 | 0 | 0 | 110.4 | E69 N71 E72 K77 Y78 | E69-I74 WeakPolarHBondContact O-CD1 3.34Å; N71-I74 PolarHBondContact O-N 2.9Å; N71-I74 WeakPolarHBondContact OD1-CB 3.47Å; N71-I74 WeakPolarHBondContact OD1-CG1 3.33Å; N71-I74 PolarHBondContact OD1-N 2.81Å; E72-I74 PolarHBondContact O-N 3.1Å; I74-K77 WeakPolarHBondContact O-CB 3.23Å; I74-K77 PolarHBondContact O-N 2.7Å; I74-Y78 HydrophobicContact CG2-CD2 3.79Å; I74-Y78 HydrophobicContact CG2-CE2 3.4Å; I74-Y78 VanDerWaalsContact O-CD2 3.3Å; I74-Y78 WeakPolarHBondContact O-CD2 3.45Å; I74-Y78 PolarHBondContact O-N 3.19Å |
| 75 | A | 95.4 | Very high | 94.5 | Very high | 0 Ų | 0 | 50.1 Ų | 50.1 | 0% | 0 | 25% | 0.251 | C | S | . | . | H | α-helix | trans | -62.4 | -46.1 | 176.7 | 0 | 0 | 0 | 0 | 0 | 112.1 | I70 N71 E72 K77 Y78 L79 F648 L661 I663 | I70-A75 HydrophobicContact CG2-CB 3.99Å; N71-A75 PolarHBondContact O-N 3.01Å; E72-A75 PolarHBondContact O-N 3.08Å; A75-K77 VanDerWaalsContact C-N 3.29Å; A75-K77 PolarHBondContact O-N 3.44Å; A75-Y78 WeakPolarHBondContact O-CB 3.49Å; A75-Y78 PolarHBondContact O-N 3.45Å; A75-Y78 VanDerWaalsContact O-N 3.15Å; A75-L79 PolarHBondContact O-N 3.35Å; A75-F648 HydrophobicContact CB-CD1 4.13Å; A75-F648 HydrophobicContact CB-CD2 3.93Å; A75-F648 HydrophobicContact CB-CE1 3.65Å; A75-F648 HydrophobicContact CB-CE2 3.48Å; A75-F648 VanDerWaalsContact CB-CE2 3.48Å; A75-F648 HydrophobicContact CB-CG 4.24Å; A75-F648 HydrophobicContact CB-CZ 3.33Å; A75-L661 WeakPolarHBondContact O-CD2 3.29Å; A75-I663 HydrophobicContact CB-CG1 4.3Å |
| 76 | T | 96.4 | Very high | 94.5 | Very high | 44 Ų | 44 | 50 Ų | 50 | 27% | 0.27 | 25% | 0.25 | S | S | . | . | H | α-helix | trans | -60.2 | -40.3 | 173.5 | -54.8 | 0 | 0 | 0 | 0 | 111.5 | E72 Y78 L79 D80 | E72-T76 WeakPolarHBondContact O-CB 3.3Å; E72-T76 PolarHBondContact O-N 2.98Å; E72-T76 PolarHBondContact O-OG1 2.83Å; T76-Y78 PolarHBondContact O-N 3.33Å; T76-L79 PolarHBondContact O-N 3.41Å; T76-D80 WeakPolarHBondContact O-CB 3.3Å; T76-D80 VanDerWaalsContact O-CG 3.3Å; T76-D80 PolarHBondContact O-N 3.24Å |
| 77 | K | 95.8 | Very high | 94.6 | Very high | 136 Ų | 136 | 52.2 Ų | 52.2 | 59% | 0.591 | 26% | 0.26 | S | S | * | . | H | α-helix | trans | -62 | -41.1 | 175.2 | -179.5 | -173.5 | 175.4 | -168.9 | 0 | 112 | T73 I74 A75 D80 I81 | T73-K77 VanDerWaalsContact O-CB 3.29Å; T73-K77 WeakPolarHBondContact O-CB 3.23Å; T73-K77 PolarHBondContact O-N 2.94Å; I74-K77 WeakPolarHBondContact O-CB 3.23Å; I74-K77 PolarHBondContact O-N 2.7Å; A75-K77 VanDerWaalsContact C-N 3.29Å; A75-K77 PolarHBondContact O-N 3.44Å; K77-D80 PolarHBondContact O-N 3.45Å; K77-I81 HydrophobicContact CG-CD1 4.1Å; K77-I81 WeakPolarHBondContact O-CD1 3.43Å; K77-I81 VanDerWaalsContact O-CG1 3.23Å; K77-I81 WeakPolarHBondContact O-CG1 3.2Å; K77-I81 PolarHBondContact O-N 3.05Å |
| 78 | Y | 95.2 | Very high | 94.5 | Very high | 20 Ų | 20 | 54.8 Ų | 54.8 | 8% | 0.078 | 27% | 0.27 | C | S | . | . | H | α-helix | trans | -62 | -45.7 | 174.9 | -79.2 | -53.3 | 0 | 0 | 0 | 111.6 | E68 I74 A75 T76 I81 A82 L547 K551 I552 I675 | E68-Y78 PolarHBondContact OE2-OH 3.48Å; E68-Y78 VanDerWaalsContact OE2-OH 3.13Å; I74-Y78 HydrophobicContact CG2-CD2 3.79Å; I74-Y78 HydrophobicContact CG2-CE2 3.4Å; I74-Y78 VanDerWaalsContact O-CD2 3.3Å; I74-Y78 WeakPolarHBondContact O-CD2 3.45Å; I74-Y78 PolarHBondContact O-N 3.19Å; A75-Y78 WeakPolarHBondContact O-CB 3.49Å; A75-Y78 PolarHBondContact O-N 3.45Å; A75-Y78 VanDerWaalsContact O-N 3.15Å; T76-Y78 PolarHBondContact O-N 3.33Å; Y78-I81 PolarHBondContact O-N 2.89Å; Y78-A82 PolarHBondContact O-N 2.54Å; Y78-L547 HydrophobicContact CD1-CD1 4.18Å; Y78-K551 HydrophobicContact CE1-CD 4.4Å; Y78-K551 HydrophobicContact CE1-CG 4.02Å; Y78-I552 HydrophobicContact CD1-CG2 4.42Å; Y78-I552 HydrophobicContact CD2-CG2 4.31Å; Y78-I552 HydrophobicContact CG-CG2 4.2Å; Y78-I675 HydrophobicContact CE2-CD1 4.34Å |
| 79 | L | 96.5 | Very high | 94.5 | Very high | 3 Ų | 3 | 53.8 Ų | 53.8 | 2% | 0.016 | 27% | 0.266 | C | S | . | . | H | α-helix | trans | -60.5 | -47.9 | 175.8 | -178 | 67.7 | 0 | 0 | 0 | 111.5 | A75 T76 I81 A82 V83 L558 F648 A650 L659 L661 | A75-L79 PolarHBondContact O-N 3.35Å; T76-L79 PolarHBondContact O-N 3.41Å; L79-I81 VanDerWaalsContact C-N 3.29Å; L79-I81 PolarHBondContact O-N 2.9Å; L79-A82 WeakPolarHBondContact O-CB 3.29Å; L79-A82 PolarHBondContact O-N 3.5Å; L79-V83 HydrophobicContact CD1-CG2 4.36Å; L79-V83 HydrophobicContact CG-CG2 4.29Å; L79-V83 WeakPolarHBondContact O-CG2 3.49Å; L79-V83 PolarHBondContact O-N 3.39Å; L79-L558 HydrophobicContact CD1-CD1 4.46Å; L79-F648 HydrophobicContact CD2-CB 3.79Å; L79-F648 WeakPolarHBondContact CD2-O 3.31Å; L79-A650 HydrophobicContact CD2-CB 3.71Å; L79-A650 HydrophobicContact CG-CB 4.17Å; L79-L659 HydrophobicContact CD1-CB 4.35Å; L79-L659 HydrophobicContact CD1-CD2 3.78Å; L79-L659 HydrophobicContact CD1-CG 4Å; L79-L661 HydrophobicContact CB-CB 4.48Å; L79-L661 HydrophobicContact CB-CD2 4.25Å; L79-L661 HydrophobicContact CD1-CB 3.98Å |
| 80 | D | 96.9 | Very high | 94.7 | Very high | 63 Ų | 63 | 48.5 Ų | 48.5 | 34% | 0.337 | 24% | 0.242 | S | C | . | . | H | α-helix | trans | -61.2 | -36.6 | 179.8 | -75.5 | -22.5 | 0 | 0 | 0 | 112.1 | T76 K77 K84 K623 | T76-D80 WeakPolarHBondContact O-CB 3.3Å; T76-D80 VanDerWaalsContact O-CG 3.3Å; T76-D80 PolarHBondContact O-N 3.24Å; K77-D80 PolarHBondContact O-N 3.45Å; D80-K84 VanDerWaalsContact O-CB 3.3Å; D80-K84 WeakPolarHBondContact O-CB 3.43Å; D80-K84 PolarHBondContact O-N 3.1Å; D80-K623 WeakPolarHBondContact OD1-CE 3.49Å; D80-K623 IonicContact OD1-NZ 3.34Å; D80-K623 PolarHBondContact OD1-NZ 3.23Å; D80-K623 IonicContact OD2-NZ 2.79Å |
| 81 | I | 93.4 | Very high | 94.8 | Very high | 62 Ų | 62 | 51.7 Ų | 51.7 | 32% | 0.318 | 26% | 0.259 | S | S | . | . | H | α-helix | trans | -64.7 | -43.5 | 173.5 | -70.3 | 164.9 | 0 | 0 | 0 | 110.7 | K77 Y78 L79 K85 | K77-I81 HydrophobicContact CG-CD1 4.1Å; K77-I81 WeakPolarHBondContact O-CD1 3.43Å; K77-I81 VanDerWaalsContact O-CG1 3.23Å; K77-I81 WeakPolarHBondContact O-CG1 3.2Å; K77-I81 PolarHBondContact O-N 3.05Å; Y78-I81 PolarHBondContact O-N 2.89Å; L79-I81 VanDerWaalsContact C-N 3.29Å; L79-I81 PolarHBondContact O-N 2.9Å; I81-K85 WeakPolarHBondContact O-CG 3.43Å; I81-K85 PolarHBondContact O-N 3.23Å; I81-K85 VanDerWaalsContact O-N 3.08Å |
| 82 | A | 95 | Very high | 94.8 | Very high | 1 Ų | 1 | 54.2 Ų | 54.2 | 1% | 0.008 | 27% | 0.269 | C | S | . | . | H | α-helix | trans | -64.7 | -48.6 | 178.4 | 0 | 0 | 0 | 0 | 0 | 111.2 | Y78 L79 K84 K85 L86 L547 L558 L659 | Y78-A82 PolarHBondContact O-N 2.54Å; L79-A82 WeakPolarHBondContact O-CB 3.29Å; L79-A82 PolarHBondContact O-N 3.5Å; A82-K84 VanDerWaalsContact C-N 3.34Å; A82-K84 PolarHBondContact O-N 3.45Å; A82-K85 WeakPolarHBondContact O-CB 3.47Å; A82-K85 PolarHBondContact O-N 2.99Å; A82-K85 VanDerWaalsContact O-N 3.13Å; A82-L86 WeakPolarHBondContact O-CG 3.35Å; A82-L86 PolarHBondContact O-N 3.17Å; A82-L547 HydrophobicContact CB-CB 4.13Å; A82-L547 HydrophobicContact CB-CD2 4.33Å; A82-L558 HydrophobicContact CB-CD1 4.38Å; A82-L558 HydrophobicContact CB-CD2 4.44Å; A82-L659 HydrophobicContact CB-CD2 4Å |
| 83 | V | 97.2 | Very high | 94.8 | Very high | 12 Ų | 12 | 50.4 Ų | 50.4 | 7% | 0.073 | 25% | 0.251 | C | S | . | . | H | α-helix | trans | -54.2 | -50.6 | 175.4 | 172 | 0 | 0 | 0 | 0 | 110.4 | L79 K85 L86 E87 A650 L659 | L79-V83 HydrophobicContact CD1-CG2 4.36Å; L79-V83 HydrophobicContact CG-CG2 4.29Å; L79-V83 WeakPolarHBondContact O-CG2 3.49Å; L79-V83 PolarHBondContact O-N 3.39Å; V83-K85 VanDerWaalsContact C-N 3.31Å; V83-K85 PolarHBondContact O-N 3.48Å; V83-L86 PolarHBondContact O-N 3.07Å; V83-L86 VanDerWaalsContact O-N 3.1Å; V83-E87 HydrophobicContact CG1-CG 4.17Å; V83-E87 WeakPolarHBondContact CG1-OE1 3.44Å; V83-E87 WeakPolarHBondContact O-CB 3.31Å; V83-E87 WeakPolarHBondContact O-CG 3.43Å; V83-E87 PolarHBondContact O-N 3.37Å; V83-A650 HydrophobicContact CG2-CB 3.95Å; V83-L659 HydrophobicContact CG2-CB 4.43Å; V83-L659 HydrophobicContact CG2-CD2 3.67Å |
| 84 | K | 95.6 | Very high | 94.8 | Very high | 137 Ų | 137 | 45.4 Ų | 45.4 | 60% | 0.596 | 22% | 0.22 | S | C | * | . | H | α-helix | trans | -60.7 | -37.8 | 179.5 | -174.4 | 175.1 | -177.8 | 175.8 | 0 | 113.2 | D80 A82 N88 | D80-K84 VanDerWaalsContact O-CB 3.3Å; D80-K84 WeakPolarHBondContact O-CB 3.43Å; D80-K84 PolarHBondContact O-N 3.1Å; A82-K84 VanDerWaalsContact C-N 3.34Å; A82-K84 PolarHBondContact O-N 3.45Å; K84-N88 VanDerWaalsContact O-CG 3.26Å; K84-N88 PolarHBondContact O-N 2.82Å; K84-N88 VanDerWaalsContact O-N 3.14Å; K84-N88 PolarHBondContact O-ND2 2.71Å |
| 85 | K | 92.2 | Very high | 95 | Very high | 85 Ų | 85 | 50.3 Ų | 50.3 | 37% | 0.37 | 24% | 0.24 | S | C | . | . | H | α-helix | trans | -65.9 | -44.4 | 174.7 | -75.7 | 179.4 | 178.2 | -174.2 | 0 | 111.2 | I81 A82 V83 N88 I89 T546 | I81-K85 WeakPolarHBondContact O-CG 3.43Å; I81-K85 PolarHBondContact O-N 3.23Å; I81-K85 VanDerWaalsContact O-N 3.08Å; A82-K85 WeakPolarHBondContact O-CB 3.47Å; A82-K85 PolarHBondContact O-N 2.99Å; A82-K85 VanDerWaalsContact O-N 3.13Å; V83-K85 VanDerWaalsContact C-N 3.31Å; V83-K85 PolarHBondContact O-N 3.48Å; K85-N88 WeakPolarHBondContact O-CB 3.45Å; K85-N88 PolarHBondContact O-N 2.97Å; K85-I89 WeakPolarHBondContact O-CG1 3.35Å; K85-I89 PolarHBondContact O-N 3.35Å; K85-I89 VanDerWaalsContact O-N 3.12Å; K85-T546 HydrophobicContact CB-CG2 3.84Å; K85-T546 HydrophobicContact CD-CG2 4.36Å; K85-T546 PolarHBondContact NZ-O 3.01Å; K85-T546 VanDerWaalsContact NZ-O 3.11Å |
| 86 | L | 93.6 | Very high | 95 | Very high | 1 Ų | 1 | 50.7 Ų | 50.7 | 1% | 0.005 | 24% | 0.242 | C | C | . | . | H | α-helix | trans | -64.5 | -42.6 | 177.8 | -68.7 | 176.5 | 0 | 0 | 0 | 111.6 | A82 V83 N88 I89 V90 F543 T546 I652 L659 | A82-L86 WeakPolarHBondContact O-CG 3.35Å; A82-L86 PolarHBondContact O-N 3.17Å; V83-L86 PolarHBondContact O-N 3.07Å; V83-L86 VanDerWaalsContact O-N 3.1Å; L86-N88 VanDerWaalsContact C-N 3.27Å; L86-N88 PolarHBondContact O-N 2.8Å; L86-I89 HydrophobicContact CD2-CD1 4.48Å; L86-I89 WeakPolarHBondContact O-CB 3.29Å; L86-I89 PolarHBondContact O-N 2.75Å; L86-I89 VanDerWaalsContact O-N 3.11Å; L86-V90 WeakPolarHBondContact O-CB 3.37Å; L86-V90 VanDerWaalsContact O-CG2 3.26Å; L86-V90 WeakPolarHBondContact O-CG2 3.49Å; L86-V90 PolarHBondContact O-N 2.9Å; L86-F543 HydrophobicContact CD2-CB 3.69Å; L86-F543 HydrophobicContact CD2-CD1 3.78Å; L86-F543 HydrophobicContact CD2-CD2 4.09Å; L86-F543 HydrophobicContact CD2-CE1 4.41Å; L86-F543 HydrophobicContact CD2-CG 3.59Å; L86-T546 HydrophobicContact CD2-CG2 3.47Å; L86-T546 VanDerWaalsContact CD2-CG2 3.47Å; L86-T546 HydrophobicContact CG-CG2 3.83Å; L86-I652 HydrophobicContact CB-CD1 4.23Å; L86-I652 HydrophobicContact CB-CG2 4.43Å; L86-I652 HydrophobicContact CD1-CD1 3.53Å; L86-I652 HydrophobicContact CD1-CG1 4.35Å; L86-I652 HydrophobicContact CG-CD1 4.48Å; L86-L659 HydrophobicContact CD1-CD1 3.68Å; L86-L659 HydrophobicContact CD1-CD2 3.69Å; L86-L659 HydrophobicContact CD1-CG 4.3Å |
| 87 | E | 96 | Very high | 95.1 | Very high | 45 Ų | 45 | 48.6 Ų | 48.6 | 21% | 0.21 | 23% | 0.229 | C | C | . | . | H | α-helix | trans | -58.9 | -39.4 | 174.9 | -74.2 | 173.2 | 168 | 0 | 0 | 111.5 | V83 V90 N91 I652 | V83-E87 HydrophobicContact CG1-CG 4.17Å; V83-E87 WeakPolarHBondContact CG1-OE1 3.44Å; V83-E87 WeakPolarHBondContact O-CB 3.31Å; V83-E87 WeakPolarHBondContact O-CG 3.43Å; V83-E87 PolarHBondContact O-N 3.37Å; E87-V90 PolarHBondContact O-N 3.31Å; E87-N91 VanDerWaalsContact O-CB 3.25Å; E87-N91 WeakPolarHBondContact O-CB 3.48Å; E87-N91 PolarHBondContact O-N 2.93Å; E87-N91 PolarHBondContact O-ND2 2.75Å; E87-I652 HydrophobicContact CG-CG2 4.13Å |
| 88 | N | 92.9 | Very high | 95.2 | Very high | 84 Ų | 84 | 44.6 Ų | 44.6 | 45% | 0.449 | 21% | 0.212 | S | C | . | . | H | α-helix | trans | -62.3 | -47.2 | 173.7 | -69.2 | -22.2 | 0 | 0 | 0 | 111.5 | K84 K85 L86 V90 N91 E92 | K84-N88 VanDerWaalsContact O-CG 3.26Å; K84-N88 PolarHBondContact O-N 2.82Å; K84-N88 VanDerWaalsContact O-N 3.14Å; K84-N88 PolarHBondContact O-ND2 2.71Å; K85-N88 WeakPolarHBondContact O-CB 3.45Å; K85-N88 PolarHBondContact O-N 2.97Å; L86-N88 VanDerWaalsContact C-N 3.27Å; L86-N88 PolarHBondContact O-N 2.8Å; N88-V90 PolarHBondContact O-N 3.36Å; N88-N91 PolarHBondContact O-N 2.81Å; N88-E92 WeakPolarHBondContact O-CB 3.47Å; N88-E92 VanDerWaalsContact O-CG 3.31Å; N88-E92 WeakPolarHBondContact O-CG 3.23Å; N88-E92 PolarHBondContact O-N 2.91Å |
| 89 | I | 91.4 | Very high | 95.3 | Very high | 34 Ų | 34 | 46.5 Ų | 46.5 | 17% | 0.174 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -58.7 | -49.9 | 176.7 | -65.1 | 167.7 | 0 | 0 | 0 | 110 | K85 L86 N91 E92 K93 F543 T546 | K85-I89 WeakPolarHBondContact O-CG1 3.35Å; K85-I89 PolarHBondContact O-N 3.35Å; K85-I89 VanDerWaalsContact O-N 3.12Å; L86-I89 HydrophobicContact CD2-CD1 4.48Å; L86-I89 WeakPolarHBondContact O-CB 3.29Å; L86-I89 PolarHBondContact O-N 2.75Å; L86-I89 VanDerWaalsContact O-N 3.11Å; I89-N91 PolarHBondContact O-N 3.13Å; I89-E92 PolarHBondContact O-N 2.77Å; I89-K93 HydrophobicContact CG2-CG 4.15Å; I89-K93 WeakPolarHBondContact O-CB 3.47Å; I89-K93 WeakPolarHBondContact O-CG 3.39Å; I89-K93 PolarHBondContact O-N 2.04Å; I89-F543 HydrophobicContact CG2-CE1 4.05Å; I89-T546 HydrophobicContact CD1-CG2 4.27Å |
| 90 | V | 94.8 | Very high | 95.4 | Very high | 0 Ų | 0 | 46.4 Ų | 46.4 | 0% | 0 | 22% | 0.223 | C | C | . | . | H | α-helix | trans | -55.6 | -48.7 | 178.2 | 162.4 | 0 | 0 | 0 | 0 | 111.5 | L86 E87 N88 S94 W446 I652 Q654 T655 | L86-V90 WeakPolarHBondContact O-CB 3.37Å; L86-V90 VanDerWaalsContact O-CG2 3.26Å; L86-V90 WeakPolarHBondContact O-CG2 3.49Å; L86-V90 PolarHBondContact O-N 2.9Å; E87-V90 PolarHBondContact O-N 3.31Å; N88-V90 PolarHBondContact O-N 3.36Å; V90-S94 VanDerWaalsContact O-CB 3.24Å; V90-S94 WeakPolarHBondContact O-CB 3.21Å; V90-S94 PolarHBondContact O-N 3.01Å; V90-S94 PolarHBondContact O-OG 3.27Å; V90-W446 HydrophobicContact CB-CH2 4.23Å; V90-W446 HydrophobicContact CB-CZ2 4.11Å; V90-W446 HydrophobicContact CG1-CH2 4.29Å; V90-W446 HydrophobicContact CG1-CZ2 3.66Å; V90-W446 HydrophobicContact CG2-CH2 3.84Å; V90-W446 HydrophobicContact CG2-CZ2 4.02Å; V90-I652 HydrophobicContact CG2-CG2 4.24Å; V90-Q654 HydrophobicContact CG1-CB 4.22Å; V90-T655 HydrophobicContact CB-CG2 4.18Å; V90-T655 HydrophobicContact CG1-CG2 3.54Å; V90-T655 HydrophobicContact CG2-CG2 3.5Å |
| 91 | N | 95.1 | Very high | 95.4 | Very high | 67 Ų | 67 | 44 Ų | 44 | 36% | 0.358 | 21% | 0.21 | S | C | . | . | H | α-helix | trans | -64.8 | -44.1 | 179.9 | -77.2 | -50.7 | 0 | 0 | 0 | 111.6 | E87 N88 I89 K95 Q654 | E87-N91 VanDerWaalsContact O-CB 3.25Å; E87-N91 WeakPolarHBondContact O-CB 3.48Å; E87-N91 PolarHBondContact O-N 2.93Å; E87-N91 PolarHBondContact O-ND2 2.75Å; N88-N91 PolarHBondContact O-N 2.81Å; I89-N91 PolarHBondContact O-N 3.13Å; N91-K95 WeakPolarHBondContact O-CB 3.49Å; N91-K95 PolarHBondContact O-N 2.98Å; N91-Q654 PolarHBondContact OD1-NE2 3.16Å; N91-Q654 PolarHBondContact OD1-OE1 2.86Å |
| 92 | E | 93 | Very high | 95.6 | Very high | 113 Ų | 113 | 43.7 Ų | 43.7 | 53% | 0.528 | 21% | 0.211 | S | C | . | . | H | α-helix | trans | -61.6 | -50.7 | 177.9 | -75.8 | 177.4 | 173.6 | 0 | 0 | 110.8 | N88 I89 S94 K95 L96 | N88-E92 WeakPolarHBondContact O-CB 3.47Å; N88-E92 VanDerWaalsContact O-CG 3.31Å; N88-E92 WeakPolarHBondContact O-CG 3.23Å; N88-E92 PolarHBondContact O-N 2.91Å; I89-E92 PolarHBondContact O-N 2.77Å; E92-S94 PolarHBondContact O-N 2.88Å; E92-K95 WeakPolarHBondContact O-CB 3.5Å; E92-K95 PolarHBondContact O-N 2.86Å; E92-L96 WeakPolarHBondContact O-CG 3.44Å; E92-L96 PolarHBondContact O-N 3.11Å |
| 93 | K | 94.8 | Very high | 95.7 | Very high | 4 Ų | 4 | 44.5 Ų | 44.5 | 2% | 0.017 | 22% | 0.217 | C | C | . | . | H | α-helix | trans | -65.2 | -39.3 | 180 | -59.3 | -66.4 | 178.8 | -172.6 | 0 | 112.5 | I89 K95 L96 V97 D198 T200 V511 V536 I538 | I89-K93 HydrophobicContact CG2-CG 4.15Å; I89-K93 WeakPolarHBondContact O-CB 3.47Å; I89-K93 WeakPolarHBondContact O-CG 3.39Å; I89-K93 PolarHBondContact O-N 2.04Å; K93-K95 VanDerWaalsContact C-N 3.29Å; K93-K95 PolarHBondContact O-N 3.22Å; K93-L96 HydrophobicContact CD-CD1 4.29Å; K93-L96 WeakPolarHBondContact O-CB 3.12Å; K93-L96 PolarHBondContact O-N 3.3Å; K93-V97 PolarHBondContact O-N 2.78Å; K93-D198 WeakPolarHBondContact CD-OD2 3.48Å; K93-D198 VanDerWaalsContact CE-OD2 3.26Å; K93-D198 WeakPolarHBondContact CE-OD2 3.44Å; K93-D198 IonicContact NZ-OD1 3.6Å; K93-D198 PolarHBondContact NZ-OD1 3.08Å; K93-D198 IonicContact NZ-OD2 3.3Å; K93-D198 PolarHBondContact NZ-OD2 2.99Å; K93-T200 PolarHBondContact NZ-OG1 3.32Å; K93-V511 HydrophobicContact CB-CG1 4.12Å; K93-V536 HydrophobicContact CB-CG2 4.25Å; K93-I538 HydrophobicContact CB-CD1 3.73Å; K93-I538 HydrophobicContact CB-CG1 4.26Å; K93-I538 HydrophobicContact CD-CD1 4.45Å; K93-I538 HydrophobicContact CD-CG1 4.06Å; K93-I538 HydrophobicContact CG-CD1 3.71Å; K93-I538 HydrophobicContact CG-CG1 3.84Å |
| 94 | S | 96.5 | Very high | 95.7 | Very high | 3 Ų | 3 | 43.9 Ų | 43.9 | 2% | 0.021 | 21% | 0.214 | C | C | . | . | H | α-helix | trans | -62.2 | -38.4 | 175.6 | -59.9 | 0 | 0 | 0 | 0 | 111.7 | V90 E92 L96 V97 E98 F444 | V90-S94 VanDerWaalsContact O-CB 3.24Å; V90-S94 WeakPolarHBondContact O-CB 3.21Å; V90-S94 PolarHBondContact O-N 3.01Å; V90-S94 PolarHBondContact O-OG 3.27Å; E92-S94 PolarHBondContact O-N 2.88Å; S94-L96 VanDerWaalsContact C-N 3.33Å; S94-L96 PolarHBondContact O-N 2.97Å; S94-V97 PolarHBondContact O-N 2.85Å; S94-E98 PolarHBondContact O-N 2.93Å; S94-F444 WeakPolarHBondContact O-CE1 3.42Å; S94-F444 WeakPolarHBondContact O-CZ 3.37Å |
| 95 | K | 96.6 | Very high | 95.7 | Very high | 143 Ų | 143 | 38 Ų | 38 | 62% | 0.622 | 19% | 0.188 | S | C | * | . | H | α-helix | trans | -62.6 | -38.8 | 175.1 | -174.7 | -178.6 | 177.6 | -175.5 | 0 | 112.2 | N91 E92 K93 V97 E98 N99 | N91-K95 WeakPolarHBondContact O-CB 3.49Å; N91-K95 PolarHBondContact O-N 2.98Å; E92-K95 WeakPolarHBondContact O-CB 3.5Å; E92-K95 PolarHBondContact O-N 2.86Å; K93-K95 VanDerWaalsContact C-N 3.29Å; K93-K95 PolarHBondContact O-N 3.22Å; K95-V97 VanDerWaalsContact C-N 3.34Å; K95-V97 PolarHBondContact O-N 3.1Å; K95-E98 PolarHBondContact O-N 3.35Å; K95-N99 VanDerWaalsContact O-CG 3.26Å; K95-N99 PolarHBondContact O-N 2.93Å; K95-N99 PolarHBondContact O-OD1 2.83Å |
| 96 | L | 97.2 | Very high | 95.9 | Very high | 8 Ų | 8 | 38.4 Ų | 38.4 | 4% | 0.042 | 19% | 0.192 | C | C | . | . | H | α-helix | trans | -62.7 | -41.7 | 176.5 | -56 | 179.5 | 0 | 0 | 0 | 111.7 | E92 K93 S94 N99 I100 N194 S197 D198 L201 | E92-L96 WeakPolarHBondContact O-CG 3.44Å; E92-L96 PolarHBondContact O-N 3.11Å; K93-L96 HydrophobicContact CD-CD1 4.29Å; K93-L96 WeakPolarHBondContact O-CB 3.12Å; K93-L96 PolarHBondContact O-N 3.3Å; S94-L96 VanDerWaalsContact C-N 3.33Å; S94-L96 PolarHBondContact O-N 2.97Å; L96-N99 WeakPolarHBondContact O-CB 3.34Å; L96-N99 PolarHBondContact O-N 3.43Å; L96-I100 WeakPolarHBondContact O-CG1 3.48Å; L96-I100 PolarHBondContact O-N 2.87Å; L96-N194 HydrophobicContact CD2-CB 4Å; L96-N194 PolarHBondContact O-ND2 3.12Å; L96-N194 VanDerWaalsContact O-ND2 3.12Å; L96-S197 WeakPolarHBondContact CD2-OG 3.24Å; L96-D198 HydrophobicContact CD1-CB 3.84Å; L96-D198 WeakPolarHBondContact CD1-OD2 3.39Å; L96-D198 HydrophobicContact CD2-CB 4.48Å; L96-L201 HydrophobicContact CD1-CD1 4.08Å; L96-L201 HydrophobicContact CD1-CD2 4.07Å; L96-L201 HydrophobicContact CD1-CG 4.46Å |
| 97 | V | 97.9 | Very high | 96 | Very high | 0 Ų | 0 | 38.9 Ų | 38.9 | 0% | 0 | 20% | 0.195 | C | C | . | . | H | α-helix | trans | -64.3 | -41.4 | 174.8 | 175.2 | 0 | 0 | 0 | 0 | 111.3 | K93 S94 K95 N99 I100 K101 F444 V511 K513 A534 V536 | K93-V97 PolarHBondContact O-N 2.78Å; S94-V97 PolarHBondContact O-N 2.85Å; K95-V97 VanDerWaalsContact C-N 3.34Å; K95-V97 PolarHBondContact O-N 3.1Å; V97-N99 VanDerWaalsContact C-N 3.31Å; V97-N99 PolarHBondContact O-N 3.05Å; V97-I100 PolarHBondContact O-N 3.49Å; V97-K101 PolarHBondContact O-N 3.18Å; V97-F444 HydrophobicContact CB-CE1 4.28Å; V97-F444 HydrophobicContact CG1-CE1 4.34Å; V97-V511 HydrophobicContact CG2-CG1 3.91Å; V97-K513 HydrophobicContact CG1-CB 3.62Å; V97-A534 HydrophobicContact CG1-CB 4.25Å; V97-V536 HydrophobicContact CG2-CB 4.26Å; V97-V536 HydrophobicContact CG2-CG1 3.88Å; V97-V536 HydrophobicContact CG2-CG2 3.66Å |
| 98 | E | 97.6 | Very high | 95.9 | Very high | 51 Ų | 51 | 37.8 Ų | 37.8 | 24% | 0.238 | 19% | 0.19 | C | C | . | . | H | α-helix | trans | -60.3 | -41.9 | 176.3 | -167.7 | 63.9 | -157.6 | 0 | 0 | 111.4 | S94 K95 I100 K101 V102 F444 K513 | S94-E98 PolarHBondContact O-N 2.93Å; K95-E98 PolarHBondContact O-N 3.35Å; E98-I100 VanDerWaalsContact C-N 3.31Å; E98-I100 PolarHBondContact O-N 2.87Å; E98-K101 PolarHBondContact O-N 2.95Å; E98-K101 IonicContact OE1-NZ 3.54Å; E98-K101 PolarHBondContact OE1-NZ 3.18Å; E98-V102 HydrophobicContact CG-CG2 4.29Å; E98-V102 WeakPolarHBondContact O-CG2 3.12Å; E98-V102 PolarHBondContact O-N 3.13Å; E98-F444 HydrophobicContact CB-CZ 4.26Å; E98-K513 VanDerWaalsContact OE2-CD 3.27Å; E98-K513 WeakPolarHBondContact OE2-CD 3.15Å; E98-K513 VanDerWaalsContact OE2-CE 3.31Å; E98-K513 WeakPolarHBondContact OE2-CE 3.48Å; E98-K513 IonicContact OE2-NZ 2.96Å; E98-K513 PolarHBondContact OE2-NZ 3.05Å |
| 99 | N | 97.8 | Very high | 95.9 | Very high | 61 Ų | 61 | 37.4 Ų | 37.4 | 33% | 0.326 | 19% | 0.191 | S | C | . | . | H | α-helix | trans | -58.3 | -44.1 | 176 | -63.9 | -18.8 | 0 | 0 | 0 | 111.5 | K95 L96 V97 A103 V190 N194 | K95-N99 VanDerWaalsContact O-CG 3.26Å; K95-N99 PolarHBondContact O-N 2.93Å; K95-N99 PolarHBondContact O-OD1 2.83Å; L96-N99 WeakPolarHBondContact O-CB 3.34Å; L96-N99 PolarHBondContact O-N 3.43Å; V97-N99 VanDerWaalsContact C-N 3.31Å; V97-N99 PolarHBondContact O-N 3.05Å; N99-A103 VanDerWaalsContact O-CB 3.23Å; N99-A103 WeakPolarHBondContact O-CB 3.34Å; N99-A103 PolarHBondContact O-N 3.27Å; N99-V190 HydrophobicContact CB-CG1 3.83Å; N99-N194 PolarHBondContact ND2-OD1 2.54Å |
| 100 | I | 98.2 | Very high | 95.9 | Very high | 0 Ų | 0 | 43.1 Ų | 43.1 | 0% | 0 | 21% | 0.214 | C | C | . | . | H | α-helix | trans | -65.6 | -45.9 | 179.4 | -61.2 | 163.1 | 0 | 0 | 0 | 110.3 | L96 V97 E98 A103 A104 V190 F191 N194 Q204 A534 V536 | L96-I100 WeakPolarHBondContact O-CG1 3.48Å; L96-I100 PolarHBondContact O-N 2.87Å; V97-I100 PolarHBondContact O-N 3.49Å; E98-I100 VanDerWaalsContact C-N 3.31Å; E98-I100 PolarHBondContact O-N 2.87Å; I100-A103 PolarHBondContact O-N 3.36Å; I100-A104 WeakPolarHBondContact O-CB 3.43Å; I100-A104 PolarHBondContact O-N 3.06Å; I100-V190 HydrophobicContact CG1-CG1 4.24Å; I100-F191 HydrophobicContact CD1-CD1 4.16Å; I100-F191 HydrophobicContact CD1-CE1 3.86Å; I100-F191 HydrophobicContact CG1-CD1 4.05Å; I100-F191 HydrophobicContact CG1-CE1 3.85Å; I100-F191 HydrophobicContact CG2-CE1 3.83Å; I100-N194 WeakPolarHBondContact CG1-ND2 3.17Å; I100-Q204 HydrophobicContact CD1-CB 4.05Å; I100-A534 HydrophobicContact CB-CB 3.95Å; I100-A534 HydrophobicContact CG2-CB 3.56Å; I100-V536 HydrophobicContact CD1-CG1 4.2Å |
| 101 | K | 96.9 | Very high | 95.7 | Very high | 14 Ų | 14 | 47.6 Ų | 47.6 | 6% | 0.061 | 23% | 0.231 | C | C | . | . | H | α-helix | trans | -57.3 | -55.3 | 177.8 | 175.2 | -146.6 | 167 | -169.8 | 0 | 110.9 | V97 E98 A103 A104 E105 K513 V515 | V97-K101 PolarHBondContact O-N 3.18Å; E98-K101 PolarHBondContact O-N 2.95Å; E98-K101 IonicContact OE1-NZ 3.54Å; E98-K101 PolarHBondContact OE1-NZ 3.18Å; K101-A103 VanDerWaalsContact C-N 3.29Å; K101-A103 PolarHBondContact O-N 3.3Å; K101-A104 WeakPolarHBondContact O-CB 3.19Å; K101-A104 PolarHBondContact O-N 3.5Å; K101-A104 VanDerWaalsContact O-N 3.1Å; K101-E105 VanDerWaalsContact CE-OE1 3.24Å; K101-E105 WeakPolarHBondContact CE-OE1 3.33Å; K101-E105 WeakPolarHBondContact O-CG 3.38Å; K101-E105 PolarHBondContact O-N 3.1Å; K101-K513 HydrophobicContact CD-CD 4.05Å; K101-K513 HydrophobicContact CD-CG 4.2Å; K101-V515 HydrophobicContact CB-CG2 4.25Å; K101-V515 HydrophobicContact CG-CG2 4.07Å |
| 102 | V | 96.6 | Very high | 94.9 | Very high | 55 Ų | 55 | 47.7 Ų | 47.7 | 33% | 0.333 | 24% | 0.241 | S | C | . | . | H | α-helix | trans | -58.3 | -44.7 | -178.5 | 171.7 | 0 | 0 | 0 | 0 | 110.5 | E98 A104 E105 E106 | E98-V102 HydrophobicContact CG-CG2 4.29Å; E98-V102 WeakPolarHBondContact O-CG2 3.12Å; E98-V102 PolarHBondContact O-N 3.13Å; V102-A104 VanDerWaalsContact C-N 3.33Å; V102-A104 PolarHBondContact O-N 2.95Å; V102-E105 PolarHBondContact O-N 3.21Å; V102-E106 HydrophobicContact CG1-CG 4.45Å; V102-E106 WeakPolarHBondContact O-CB 3.36Å; V102-E106 WeakPolarHBondContact O-CG 3.48Å; V102-E106 PolarHBondContact O-N 2.99Å |
| 103 | A | 97.4 | Very high | 93.9 | Very high | 17 Ų | 17 | 50.7 Ų | 50.7 | 14% | 0.14 | 26% | 0.255 | C | S | . | . | H | α-helix | trans | -62.7 | -38.3 | 177.7 | 0 | 0 | 0 | 0 | 0 | 112.9 | N99 I100 K101 A107 L187 V190 | N99-A103 VanDerWaalsContact O-CB 3.23Å; N99-A103 WeakPolarHBondContact O-CB 3.34Å; N99-A103 PolarHBondContact O-N 3.27Å; I100-A103 PolarHBondContact O-N 3.36Å; K101-A103 VanDerWaalsContact C-N 3.29Å; K101-A103 PolarHBondContact O-N 3.3Å; A103-A107 WeakPolarHBondContact O-CB 3.32Å; A103-A107 PolarHBondContact O-N 2.52Å; A103-L187 HydrophobicContact CB-CD2 3.86Å; A103-V190 HydrophobicContact CB-CB 4.32Å; A103-V190 HydrophobicContact CB-CG2 3.58Å |
| 104 | A | 97.5 | Very high | 92.9 | Very high | 0 Ų | 0 | 56.6 Ų | 56.6 | 0% | 0 | 29% | 0.287 | C | S | . | . | H | α-helix | trans | -66.6 | -44.6 | 176.4 | 0 | 0 | 0 | 0 | 0 | 111.9 | I100 K101 V102 A107 F108 W183 L187 F206 V515 | I100-A104 WeakPolarHBondContact O-CB 3.43Å; I100-A104 PolarHBondContact O-N 3.06Å; K101-A104 WeakPolarHBondContact O-CB 3.19Å; K101-A104 PolarHBondContact O-N 3.5Å; K101-A104 VanDerWaalsContact O-N 3.1Å; V102-A104 VanDerWaalsContact C-N 3.33Å; V102-A104 PolarHBondContact O-N 2.95Å; A104-A107 PolarHBondContact O-N 3.27Å; A104-F108 WeakPolarHBondContact O-CB 3.16Å; A104-F108 PolarHBondContact O-N 2.93Å; A104-W183 HydrophobicContact CB-CZ3 4.13Å; A104-L187 HydrophobicContact CB-CD1 4.5Å; A104-L187 HydrophobicContact CB-CD2 3.92Å; A104-F206 HydrophobicContact CB-CE2 4.36Å; A104-V515 HydrophobicContact CB-CG1 3.6Å; A104-V515 HydrophobicContact CB-CG2 4.32Å |
| 105 | E | 95.8 | Very high | 91.6 | Very high | 12 Ų | 12 | 64.8 Ų | 64.8 | 6% | 0.056 | 33% | 0.325 | C | S | . | . | H | α-helix | trans | -61.6 | -45.6 | 176.6 | -65.3 | -178.6 | 158.5 | 0 | 0 | 111.1 | K101 V102 F108 V109 V515 F516 K518 | K101-E105 VanDerWaalsContact CE-OE1 3.24Å; K101-E105 WeakPolarHBondContact CE-OE1 3.33Å; K101-E105 WeakPolarHBondContact O-CG 3.38Å; K101-E105 PolarHBondContact O-N 3.1Å; V102-E105 PolarHBondContact O-N 3.21Å; E105-F108 PolarHBondContact O-N 2.99Å; E105-V109 WeakPolarHBondContact O-CG2 3.38Å; E105-V109 PolarHBondContact O-N 3.45Å; E105-V515 HydrophobicContact CG-CG1 3.7Å; E105-F516 PolarHBondContact OE1-N 3.02Å; E105-K518 HydrophobicContact CB-CD 4.39Å; E105-K518 HydrophobicContact CG-CD 4.4Å; E105-K518 VanDerWaalsContact OE1-CE 3.24Å; E105-K518 WeakPolarHBondContact OE1-CE 3.02Å; E105-K518 IonicContact OE1-NZ 2.89Å; E105-K518 PolarHBondContact OE1-NZ 3.23Å; E105-K518 VanDerWaalsContact OE2-CD 3.31Å; E105-K518 WeakPolarHBondContact OE2-CD 3.37Å; E105-K518 WeakPolarHBondContact OE2-CE 3.35Å; E105-K518 IonicContact OE2-NZ 2.78Å; E105-K518 PolarHBondContact OE2-NZ 3.42Å |
| 106 | E | 96.2 | Very high | 90.2 | Very high | 95 Ų | 95 | 59.3 Ų | 59.3 | 44% | 0.444 | 30% | 0.304 | S | S | . | . | H | α-helix | trans | -65.9 | -44 | 177.7 | -75.5 | -168.4 | -164.1 | 0 | 0 | 113.1 | V102 F108 V109 K110 | V102-E106 HydrophobicContact CG1-CG 4.45Å; V102-E106 WeakPolarHBondContact O-CB 3.36Å; V102-E106 WeakPolarHBondContact O-CG 3.48Å; V102-E106 PolarHBondContact O-N 2.99Å; E106-F108 VanDerWaalsContact C-N 3.27Å; E106-F108 PolarHBondContact O-N 2.73Å; E106-V109 PolarHBondContact O-N 2.84Å; E106-K110 WeakPolarHBondContact O-CB 3.04Å; E106-K110 WeakPolarHBondContact O-CG 3.29Å; E106-K110 PolarHBondContact O-N 2.71Å; E106-K110 IonicContact OE2-NZ 2.74Å; E106-K110 PolarHBondContact OE2-NZ 3.47Å |
| 107 | A | 95.4 | Very high | 88.7 | Confident | 10 Ų | 10 | 66.5 Ų | 66.5 | 8% | 0.083 | 34% | 0.341 | C | S | . | . | H | α-helix | trans | -62 | -39 | 178 | 0 | 0 | 0 | 0 | 0 | 110.9 | A103 A104 K110 R111 W183 E186 | A103-A107 WeakPolarHBondContact O-CB 3.32Å; A103-A107 PolarHBondContact O-N 2.52Å; A104-A107 PolarHBondContact O-N 3.27Å; A107-K110 PolarHBondContact O-N 2.94Å; A107-R111 PolarHBondContact O-N 3.49Å; A107-W183 HydrophobicContact CB-CE3 3.91Å; A107-W183 HydrophobicContact CB-CZ3 4.48Å; A107-E186 HydrophobicContact CB-CB 3.88Å; A107-E186 HydrophobicContact CB-CG 4.28Å |
| 108 | F | 94.5 | Very high | 87.5 | Confident | 23 Ų | 23 | 69.1 Ų | 69.1 | 10% | 0.101 | 37% | 0.367 | C | S | . | . | H | α-helix | trans | -65.8 | -40 | 175.5 | -169.7 | -101.3 | 0 | 0 | 0 | 112.3 | A104 E105 E106 R111 W183 D517 T519 L531 | A104-F108 WeakPolarHBondContact O-CB 3.16Å; A104-F108 PolarHBondContact O-N 2.93Å; E105-F108 PolarHBondContact O-N 2.99Å; E106-F108 VanDerWaalsContact C-N 3.27Å; E106-F108 PolarHBondContact O-N 2.73Å; F108-R111 VanDerWaalsContact CD2-NH1 3.3Å; F108-R111 VanDerWaalsContact CG-NH1 3.26Å; F108-R111 VanDerWaalsContact O-CG 3.28Å; F108-R111 WeakPolarHBondContact O-CG 3.43Å; F108-R111 PolarHBondContact O-NH1 2.87Å; F108-W183 HydrophobicContact CB-CE3 4.45Å; F108-W183 HydrophobicContact CD2-CD2 4.3Å; F108-W183 AromaticContact CD2-CE2 3.9Å; F108-W183 HydrophobicContact CD2-CZ2 4.11Å; F108-W183 AromaticContact CD2-NE1 3.98Å; F108-D517 HydrophobicContact CE1-CB 4Å; F108-D517 WeakPolarHBondContact CE1-OD1 3.36Å; F108-D517 WeakPolarHBondContact CE1-OD2 3.44Å; F108-T519 HydrophobicContact CD1-CG2 4.09Å; F108-T519 HydrophobicContact CE1-CG2 4.1Å; F108-L531 HydrophobicContact CB-CD1 3.69Å; F108-L531 HydrophobicContact CD1-CD1 3.57Å; F108-L531 HydrophobicContact CD1-CD2 3.96Å; F108-L531 HydrophobicContact CD1-CG 4.41Å; F108-L531 HydrophobicContact CD2-CD1 3.88Å; F108-L531 HydrophobicContact CD2-CD2 3.91Å; F108-L531 HydrophobicContact CE1-CD1 4.1Å; F108-L531 HydrophobicContact CE1-CD2 3.59Å; F108-L531 HydrophobicContact CE1-CG 4.47Å; F108-L531 HydrophobicContact CE2-CD1 4.37Å; F108-L531 HydrophobicContact CE2-CD2 3.54Å; F108-L531 HydrophobicContact CG-CD1 3.43Å; F108-L531 VanDerWaalsContact CG-CD1 3.43Å; F108-L531 HydrophobicContact CG-CD2 4.09Å; F108-L531 HydrophobicContact CG-CG 4.42Å; F108-L531 HydrophobicContact CZ-CD1 4.46Å; F108-L531 HydrophobicContact CZ-CD2 3.35Å |
| 109 | V | 93.8 | Very high | 86.7 | Confident | 76 Ų | 76 | 68.9 Ų | 68.9 | 46% | 0.461 | 37% | 0.371 | S | S | . | . | H | α-helix | trans | -67.2 | -38.3 | 176.8 | 169.8 | 0 | 0 | 0 | 0 | 112.1 | E105 E106 R111 K518 T519 | E105-V109 WeakPolarHBondContact O-CG2 3.38Å; E105-V109 PolarHBondContact O-N 3.45Å; E106-V109 PolarHBondContact O-N 2.84Å; V109-R111 VanDerWaalsContact C-N 3.33Å; V109-K518 HydrophobicContact CG2-CB 4.26Å; V109-T519 HydrophobicContact CG2-CG2 4.27Å |
| 110 | K | 91.4 | Very high | 86.3 | Confident | 153 Ų | 153 | 66.8 Ų | 66.8 | 67% | 0.665 | 36% | 0.359 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -83.6 | -2.9 | -177.6 | -66.8 | 168.9 | -172.6 | 162.3 | 0 | 113.8 | E106 A107 | E106-K110 WeakPolarHBondContact O-CB 3.04Å; E106-K110 WeakPolarHBondContact O-CG 3.29Å; E106-K110 PolarHBondContact O-N 2.71Å; E106-K110 IonicContact OE2-NZ 2.74Å; E106-K110 PolarHBondContact OE2-NZ 3.47Å; A107-K110 PolarHBondContact O-N 2.94Å |
| 111 | R | 89.1 | Confident | 85.9 | Confident | 95 Ų | 95 | 70.2 Ų | 70.2 | 36% | 0.358 | 37% | 0.372 | S | S | . | . | trans | -60.8 | 142.9 | -172.8 | 79.5 | 178.6 | 178.6 | -94.5 | 12.5 | 112.4 | A107 F108 V109 W183 | A107-R111 PolarHBondContact O-N 3.49Å; F108-R111 VanDerWaalsContact CD2-NH1 3.3Å; F108-R111 VanDerWaalsContact CG-NH1 3.26Å; F108-R111 VanDerWaalsContact O-CG 3.28Å; F108-R111 WeakPolarHBondContact O-CG 3.43Å; F108-R111 PolarHBondContact O-NH1 2.87Å; V109-R111 VanDerWaalsContact C-N 3.33Å; R111-W183 HydrophobicContact CB-CB 4.15Å | ||
| 112 | A | 78.8 | Confident | 85.7 | Confident | 68 Ų | 68 | 70.8 Ų | 70.8 | 56% | 0.562 | 37% | 0.374 | S | S | * | . | trans | -78.4 | 138 | 166.7 | 0 | 0 | 0 | 0 | 0 | 110.2 | N114 | A112-N114 PolarHBondContact O-N 2.92Š| ||
| 113 | E | 72.4 | Confident | 85.5 | Confident | 176 Ų | 176 | 68.3 Ų | 68.3 | 82% | 0.822 | 36% | 0.359 | S | S | * | . | trans | -79.8 | -3.1 | 175.9 | -67.4 | -169 | 160.6 | 0 | 0 | 113.6 | ||||
| 114 | N | 73.5 | Confident | 85.1 | Confident | 128 Ų | 128 | 70.4 Ų | 70.4 | 68% | 0.684 | 37% | 0.365 | S | S | * | . | S | Bend | trans | -63.3 | 161.7 | -179.2 | -63.7 | -18 | 0 | 0 | 0 | 112.6 | A112 | A112-N114 PolarHBondContact O-N 2.92Š|
| 115 | E | 68.8 | Low | 84.7 | Confident | 175 Ų | 175 | 71.1 Ų | 71.1 | 82% | 0.818 | 37% | 0.37 | S | S | * | . | P | Polyproline II helix | trans | -53.1 | 137.1 | 172.9 | -77.2 | -174.5 | 171 | 0 | 0 | 111.1 | I117 | E115-I117 PolarHBondContact O-N 3.38Å; E115-I117 VanDerWaalsContact O-N 3.16Å |
| 116 | P | 67.7 | Low | 84.3 | Confident | 28 Ų | 28 | 71.2 Ų | 71.2 | 18% | 0.182 | 37% | 0.371 | C | S | . | . | P | Polyproline II helix | trans | -67.9 | 116 | -176.5 | 27 | -32.3 | 0 | 0 | 0 | 110.4 | K178 R179 | P116-K178 HydrophobicContact CB-CB 3.86Å; P116-K178 HydrophobicContact CG-CB 3.67Å; P116-K178 HydrophobicContact CG-CD 4.19Å; P116-R179 HydrophobicContact CB-CG 4.34Å; P116-R179 HydrophobicContact CG-CG 4.17Å |
| 117 | I | 65.6 | Low | 83.7 | Confident | 160 Ų | 160 | 68.3 Ų | 68.3 | 82% | 0.821 | 36% | 0.36 | S | S | * | . | P | Polyproline II helix | trans | -95.2 | 116.8 | 171.4 | -56.7 | 169.3 | 0 | 0 | 0 | 107.4 | E115 | E115-I117 PolarHBondContact O-N 3.38Å; E115-I117 VanDerWaalsContact O-N 3.16Å |
| 118 | G | 71.7 | Confident | 82.9 | Confident | 54 Ų | 54 | 68.6 Ų | 68.6 | 56% | 0.557 | 36% | 0.36 | S | S | * | . | S | Bend | trans | 114.9 | 167.8 | 174.5 | 0 | 0 | 0 | 0 | 0 | 115.5 | ||
| 119 | C | 81.7 | Confident | 82.1 | Confident | 47 Ų | 47 | 70.7 Ų | 70.7 | 32% | 0.318 | 38% | 0.375 | S | S | . | . | trans | -113.5 | 150.9 | -177.5 | -48.4 | 0 | 0 | 0 | 0 | 110.5 | C138 F142 | C119-C138 VanDerWaalsContact CA-SG 3.52Å; C119-C138 HydrophobicContact CB-CB 3.77Å; C119-C138 WeakPolarHBondContact CB-SG 3.37Å; C119-C138 WeakPolarHBondContact SG-CA 3.24Å; C119-C138 WeakPolarHBondContact SG-CB 3.38Å; C119-C138 PolarHBondContact SG-N 2.95Å; C119-C138 VanDerWaalsContact SG-N 3.39Å; C119-C138 CovalentContact SG-SG 2.03Å; C119-C138 PolarHBondContact SG-SG 3.45Å; C119-F142 HydrophobicContact CB-CE1 4.28Å; C119-F142 HydrophobicContact CB-CE2 4.28Å; C119-F142 HydrophobicContact CB-CZ 3.54Å | ||
| 120 | Y | 89.8 | Confident | 81.2 | Confident | 16 Ų | 16 | 70.7 Ų | 70.7 | 6% | 0.063 | 38% | 0.376 | C | S | . | . | trans | -102.6 | 153.6 | 169 | 65.9 | -91.3 | 0 | 0 | 0 | 110.2 | R122 V164 D172 F212 | Y120-R122 HydrophobicContact CD2-CG 3.99Å; Y120-R122 HydrophobicContact CE2-CG 3.48Å; Y120-R122 VanDerWaalsContact CE2-CG 3.48Å; Y120-R122 PolarHBondContact O-N 3.49Å; Y120-R122 VanDerWaalsContact O-N 3.15Å; Y120-V164 HydrophobicContact CD2-CB 3.57Å; Y120-V164 HydrophobicContact CD2-CG1 3.99Å; Y120-V164 HydrophobicContact CD2-CG2 3.65Å; Y120-V164 HydrophobicContact CE2-CB 3.72Å; Y120-V164 HydrophobicContact CE2-CG1 3.72Å; Y120-V164 HydrophobicContact CE2-CG2 4.26Å; Y120-V164 HydrophobicContact CG-CG2 4.42Å; Y120-D172 WeakPolarHBondContact OH-CB 3.46Å; Y120-D172 PolarHBondContact OH-O 2.9Å; Y120-F212 HydrophobicContact CD1-CE2 4.14Å; Y120-F212 HydrophobicContact CD2-CE2 4.01Å; Y120-F212 HydrophobicContact CD2-CZ 4.2Å; Y120-F212 HydrophobicContact CE1-CE2 4.07Å; Y120-F212 AromaticContact CE2-CE2 3.89Å; Y120-F212 HydrophobicContact CE2-CE2 3.89Å; Y120-F212 HydrophobicContact CE2-CZ 4.48Å; Y120-F212 HydrophobicContact CG-CE2 4.11Å; Y120-F212 HydrophobicContact CG-CZ 4.27Å; Y120-F212 AromaticContact CZ-CE2 3.93Å | ||
| 121 | Y | 90.1 | Very high | 80.2 | Confident | 73 Ų | 73 | 66.5 Ų | 66.5 | 29% | 0.286 | 37% | 0.365 | S | S | . | . | trans | -73.6 | 106.2 | -179.4 | -64.6 | -77 | 0 | 0 | 0 | 111.1 | F142 I144 F161 V163 V164 | Y121-F142 HydrophobicContact CD1-CB 3.85Å; Y121-F142 HydrophobicContact CD1-CD1 4.36Å; Y121-F142 HydrophobicContact CD1-CG 4.09Å; Y121-F142 HydrophobicContact CE1-CB 4.23Å; Y121-F142 HydrophobicContact CE1-CD1 4.27Å; Y121-F142 HydrophobicContact CE1-CG 4.42Å; Y121-I144 HydrophobicContact CD1-CG2 3.95Å; Y121-I144 HydrophobicContact CE1-CG2 4.2Å; Y121-F161 HydrophobicContact CD2-CB 4.18Å; Y121-F161 HydrophobicContact CD2-CD1 4.5Å; Y121-F161 HydrophobicContact CD2-CG 4.44Å; Y121-F161 HydrophobicContact CE2-CB 4.15Å; Y121-F161 AromaticContact CE2-CD1 3.67Å; Y121-F161 HydrophobicContact CE2-CD1 3.67Å; Y121-F161 HydrophobicContact CE2-CE1 4.26Å; Y121-F161 AromaticContact CE2-CG 3.93Å; Y121-F161 HydrophobicContact CE2-CG 3.93Å; Y121-V163 CarbonylContact O-C 2.91Å; Y121-V163 WeakPolarHBondContact O-CA 2.93Å; Y121-V164 PolarHBondContact O-N 3.32Å | ||
| 122 | R | 92.4 | Very high | 79.3 | Confident | 26 Ų | 26 | 70.5 Ų | 70.5 | 10% | 0.098 | 39% | 0.392 | C | S | . | . | B | Isolated β-bridge | trans | -81.4 | 115.3 | 179.6 | -66 | -177.5 | -67.5 | 155.9 | 5.1 | 110.8 | Y120 K124 A125 L126 C138 S139 I140 D172 | Y120-R122 HydrophobicContact CD2-CG 3.99Å; Y120-R122 HydrophobicContact CE2-CG 3.48Å; Y120-R122 VanDerWaalsContact CE2-CG 3.48Å; Y120-R122 PolarHBondContact O-N 3.49Å; Y120-R122 VanDerWaalsContact O-N 3.15Å; R122-K124 PolarHBondContact O-N 3.32Å; R122-K124 VanDerWaalsContact O-N 3.16Å; R122-A125 HydrophobicContact CB-CB 4Å; R122-A125 CarbonylContact O-C 3.59Å; R122-A125 PolarHBondContact O-N 2.92Å; R122-L126 WeakPolarHBondContact O-CG 3.38Å; R122-C138 PolarHBondContact NE-O 3.17Å; R122-C138 PolarHBondContact NH2-O 3.44Å; R122-S139 PolarHBondContact NH2-O 2.89Å; R122-I140 PolarHBondContact NH2-O 3.12Å; R122-D172 WeakPolarHBondContact CD-OD2 3.39Å; R122-D172 IonicContact CZ-OD2 3.56Å; R122-D172 IonicContact NE-OD2 2.71Å; R122-D172 IonicContact NH1-OD2 2.68Å; R122-D172 PolarHBondContact NH1-OD2 3.34Å |
| 123 | A | 91.9 | Very high | 78.8 | Confident | 2 Ų | 2 | 73.4 Ų | 73.4 | 2% | 0.017 | 40% | 0.398 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -60.5 | -28.5 | -174.6 | 0 | 0 | 0 | 0 | 0 | 114.2 | V163 V164 Y215 W221 | A123-V163 HydrophobicContact CB-CB 4.19Å; A123-V163 HydrophobicContact CB-CG2 3.88Å; A123-V164 WeakPolarHBondContact CB-O 3.45Å; A123-V164 PolarHBondContact N-O 2.99Å; A123-Y215 HydrophobicContact CB-CE1 4.2Å; A123-W221 HydrophobicContact CB-CB 3.9Å; A123-W221 PolarHBondContact O-N 2.99Å; A123-W221 VanDerWaalsContact O-N 3.12Å |
| 124 | K | 89.3 | Confident | 78.3 | Confident | 62 Ų | 62 | 74.2 Ų | 74.2 | 27% | 0.27 | 40% | 0.402 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -81.4 | -15.3 | 174.7 | -65.6 | 176.5 | 178.6 | 174.8 | 0 | 113.7 | R122 H165 V166 W221 I223 D231 | R122-K124 PolarHBondContact O-N 3.32Å; R122-K124 VanDerWaalsContact O-N 3.16Å; K124-H165 VanDerWaalsContact CE-CD2 3.48Å; K124-H165 WeakPolarHBondContact CE-CD2 3.35Å; K124-H165 WeakPolarHBondContact CE-NE2 3.49Å; K124-H165 PolarHBondContact NZ-NE2 3.42Å; K124-V166 PolarHBondContact NZ-O 3.48Å; K124-W221 HydrophobicContact CG-CB 4.24Å; K124-W221 HydrophobicContact CG-CG 4.44Å; K124-I223 HydrophobicContact CB-CD1 4.41Å; K124-I223 HydrophobicContact CG-CD1 4.49Å; K124-I223 HydrophobicContact CG-CG1 4.37Å; K124-D231 WeakPolarHBondContact CE-OD2 3.46Å; K124-D231 IonicContact NZ-OD2 3.26Å; K124-D231 PolarHBondContact NZ-OD2 3.38Å |
| 125 | A | 88.2 | Confident | 77.9 | Confident | 14 Ų | 14 | 71.2 Ų | 71.2 | 12% | 0.116 | 39% | 0.389 | C | S | . | . | S | Bend | trans | -121.9 | 47.2 | -175.9 | 0 | 0 | 0 | 0 | 0 | 111.1 | R122 K141 F142 | R122-A125 HydrophobicContact CB-CB 4Å; R122-A125 CarbonylContact O-C 3.59Å; R122-A125 PolarHBondContact O-N 2.92Å; A125-K141 HydrophobicContact CB-CG 4.37Å; A125-K141 CarbonylContact O-C 3.58Å; A125-K141 WeakPolarHBondContact O-CA 3.42Å; A125-F142 PolarHBondContact O-N 2.89Å |
| 126 | L | 87.3 | Confident | 77.8 | Confident | 14 Ų | 14 | 70.8 Ų | 70.8 | 7% | 0.073 | 39% | 0.392 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -100 | 156 | 173.6 | -62.7 | 174.4 | 0 | 0 | 0 | 111.1 | R122 F142 I144 V163 M220 | R122-L126 WeakPolarHBondContact O-CG 3.38Å; L126-F142 CarbonylContact C-O 3.57Å; L126-F142 WeakPolarHBondContact CA-O 3.4Å; L126-F142 HydrophobicContact CD2-CB 4.17Å; L126-I144 HydrophobicContact CD1-CD1 3.47Å; L126-I144 VanDerWaalsContact CD1-CD1 3.47Å; L126-I144 HydrophobicContact CD1-CG1 4.04Å; L126-I144 HydrophobicContact CD2-CD1 4.26Å; L126-I144 HydrophobicContact CD2-CG1 4.21Å; L126-I144 HydrophobicContact CD2-CG2 4.06Å; L126-I144 HydrophobicContact CG-CD1 4.42Å; L126-V163 HydrophobicContact CD1-CG1 4.16Å; L126-M220 HydrophobicContact CB-CE 3.4Å; L126-M220 VanDerWaalsContact CB-CE 3.4Å; L126-M220 HydrophobicContact CB-CG 3.9Å; L126-M220 HydrophobicContact CD1-CG 3.85Å |
| 127 | T | 83.4 | Confident | 78.2 | Confident | 34 Ų | 34 | 73.2 Ų | 73.2 | 21% | 0.209 | 40% | 0.403 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.6 | 144.9 | 173.6 | 158.2 | 0 | 0 | 0 | 0 | 110.5 | V129 K141 F142 Y143 M220 | T127-V129 PolarHBondContact OG1-N 3.27Å; T127-V129 PolarHBondContact OG1-O 3.14Å; T127-K141 HydrophobicContact CG2-CB 3.8Å; T127-F142 VanDerWaalsContact CG2-C 3.47Å; T127-F142 WeakPolarHBondContact CG2-O 3.35Å; T127-F142 PolarHBondContact N-O 3.23Å; T127-Y143 WeakPolarHBondContact O-CD2 3.22Å; T127-M220 VanDerWaalsContact C-CE 3.41Å |
| 128 | I | 79.8 | Confident | 78.8 | Confident | 17 Ų | 17 | 66.8 Ų | 66.8 | 9% | 0.087 | 37% | 0.372 | C | S | . | . | S | Bend | trans | -86.6 | -17.2 | 177.9 | -47.4 | -176.1 | 0 | 0 | 0 | 110.8 | Y143 M220 L459 N463 F464 L470 | I128-Y143 VanDerWaalsContact O-CE2 3.23Å; I128-Y143 WeakPolarHBondContact O-CE2 3.42Å; I128-M220 HydrophobicContact CD1-CE 4.5Å; I128-M220 HydrophobicContact CD1-SD 4.08Å; I128-M220 HydrophobicContact CG1-CE 3.52Å; I128-M220 HydrophobicContact CG1-SD 3.69Å; I128-L459 HydrophobicContact CD1-CD1 3.91Å; I128-L459 HydrophobicContact CD1-CD2 3.53Å; I128-L459 HydrophobicContact CD1-CG 4.35Å; I128-N463 HydrophobicContact CD1-CB 4.36Å; I128-F464 HydrophobicContact CG2-CD1 3.22Å; I128-F464 HydrophobicContact CG2-CE1 3.15Å; I128-F464 HydrophobicContact CG2-CE2 4.43Å; I128-F464 HydrophobicContact CG2-CG 3.94Å; I128-F464 HydrophobicContact CG2-CZ 3.79Å; I128-L470 HydrophobicContact CD1-CD1 3.93Å; I128-L470 HydrophobicContact CD1-CD2 4.2Å; I128-L470 HydrophobicContact CG1-CD1 4.37Å |
| 129 | V | 76.6 | Confident | 78.9 | Confident | 66 Ų | 66 | 67.7 Ų | 67.7 | 40% | 0.4 | 37% | 0.37 | S | S | . | . | S | Bend | trans | -105.4 | 129.8 | 178.9 | -173.7 | 0 | 0 | 0 | 0 | 108.9 | T127 P467 | T127-V129 PolarHBondContact OG1-N 3.27Å; T127-V129 PolarHBondContact OG1-O 3.14Å; V129-P467 HydrophobicContact CG2-CB 3.7Å |
| 130 | P | 75.1 | Confident | 78.7 | Confident | 77 Ų | 77 | 68.9 Ų | 68.9 | 50% | 0.5 | 37% | 0.372 | S | S | . | . | trans | -61.8 | 130.5 | 174.4 | 22.6 | -30 | 0 | 0 | 0 | 110.3 | Y143 | P130-Y143 HydrophobicContact CB-CD1 4.05Å; P130-Y143 HydrophobicContact CB-CD2 4.35Å; P130-Y143 HydrophobicContact CB-CE1 4.26Å; P130-Y143 HydrophobicContact CB-CG 4.09Å | ||
| 131 | P | 72.1 | Confident | 78.3 | Confident | 64 Ų | 64 | 74.3 Ų | 74.3 | 42% | 0.416 | 40% | 0.396 | S | S | . | . | trans | -66.9 | 148.2 | 178 | 28.8 | -34.4 | 0 | 0 | 0 | 110.8 | N133 | P131-N133 VanDerWaalsContact C-N 3.29Å; P131-N133 PolarHBondContact O-N 2.98Å | ||
| 132 | L | 69.1 | Low | 77.9 | Confident | 179 Ų | 179 | 72.8 Ų | 72.8 | 94% | 0.937 | 39% | 0.391 | S | S | * | . | S | Bend | trans | -63.8 | -33.4 | 179.6 | -71.3 | 168.7 | 0 | 0 | 0 | 112.9 | ||
| 133 | N | 68.8 | Low | 77.6 | Confident | 129 Ų | 129 | 75.9 Ų | 75.9 | 69% | 0.69 | 40% | 0.404 | S | S | * | . | S | Bend | trans | -127.4 | 129.6 | 175.5 | -72.9 | -8.7 | 0 | 0 | 0 | 109.3 | P131 | P131-N133 VanDerWaalsContact C-N 3.29Å; P131-N133 PolarHBondContact O-N 2.98Å |
| 134 | E | 61.9 | Low | 77.3 | Confident | 193 Ų | 193 | 75.9 Ų | 75.9 | 90% | 0.902 | 40% | 0.403 | S | S | * | . | trans | -72.8 | 130.7 | 165.8 | -72.5 | -176.7 | 170.1 | 0 | 0 | 109.2 | ||||
| 135 | T | 65.6 | Low | 77.2 | Confident | 66 Ų | 66 | 74.8 Ų | 74.8 | 41% | 0.405 | 40% | 0.403 | S | S | . | . | trans | -127.2 | 135.5 | 178.9 | 53.5 | 0 | 0 | 0 | 0 | 108.9 | N137 I140 | T135-N137 PolarHBondContact O-N 3.29Å; T135-I140 HydrophobicContact CG2-CD1 4.19Å; T135-I140 WeakPolarHBondContact OG1-CD1 3.47Å | ||
| 136 | D | 66.1 | Low | 77.3 | Confident | 166 Ų | 166 | 75 Ų | 75 | 89% | 0.888 | 40% | 0.402 | S | S | * | . | trans | -72.1 | 5.9 | 175.9 | -65.2 | -32.4 | 0 | 0 | 0 | 113.9 | C138 | D136-C138 PolarHBondContact O-N 3.44Š| ||
| 137 | N | 75.8 | Confident | 77.2 | Confident | 79 Ų | 79 | 81.7 Ų | 81.7 | 42% | 0.422 | 43% | 0.43 | S | S | . | . | trans | -78.8 | 109.3 | -179.8 | -179.2 | 3.5 | 0 | 0 | 0 | 111.1 | T135 S139 I140 | T135-N137 PolarHBondContact O-N 3.29Å; N137-S139 PolarHBondContact O-N 3.11Å; N137-S139 VanDerWaalsContact OD1-CB 3.22Å; N137-S139 WeakPolarHBondContact OD1-CB 3.16Å; N137-S139 PolarHBondContact OD1-N 3.01Å; N137-S139 PolarHBondContact OD1-OG 3.35Å; N137-I140 HydrophobicContact CB-CD1 3.98Å; N137-I140 HydrophobicContact CB-CG1 4.31Å; N137-I140 PolarHBondContact O-N 3.36Å; N137-I140 VanDerWaalsContact O-N 3.09Å | ||
| 138 | C | 77.9 | Confident | 77.3 | Confident | 25 Ų | 25 | 84.8 Ų | 84.8 | 17% | 0.169 | 44% | 0.442 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -58.1 | -16.3 | 179.1 | -55 | 0 | 0 | 0 | 0 | 114.9 | C119 R122 D136 I140 L173 | C119-C138 VanDerWaalsContact CA-SG 3.52Å; C119-C138 HydrophobicContact CB-CB 3.77Å; C119-C138 WeakPolarHBondContact CB-SG 3.37Å; C119-C138 WeakPolarHBondContact SG-CA 3.24Å; C119-C138 WeakPolarHBondContact SG-CB 3.38Å; C119-C138 PolarHBondContact SG-N 2.95Å; C119-C138 VanDerWaalsContact SG-N 3.39Å; C119-C138 CovalentContact SG-SG 2.03Å; C119-C138 PolarHBondContact SG-SG 3.45Å; R122-C138 PolarHBondContact NE-O 3.17Å; R122-C138 PolarHBondContact NH2-O 3.44Å; D136-C138 PolarHBondContact O-N 3.44Å; C138-I140 VanDerWaalsContact C-N 3.29Å; C138-I140 PolarHBondContact O-N 3.29Å; C138-L173 HydrophobicContact CB-CD2 4.01Å |
| 139 | S | 73.9 | Confident | 77.4 | Confident | 73 Ų | 73 | 84.2 Ų | 84.2 | 51% | 0.51 | 44% | 0.44 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -73.3 | -20.5 | 179.6 | -42.3 | 0 | 0 | 0 | 0 | 113.1 | R122 N137 | R122-S139 PolarHBondContact NH2-O 2.89Å; N137-S139 PolarHBondContact O-N 3.11Å; N137-S139 VanDerWaalsContact OD1-CB 3.22Å; N137-S139 WeakPolarHBondContact OD1-CB 3.16Å; N137-S139 PolarHBondContact OD1-N 3.01Å; N137-S139 PolarHBondContact OD1-OG 3.35Å |
| 140 | I | 78.2 | Confident | 77.3 | Confident | 71 Ų | 71 | 83 Ų | 83 | 36% | 0.364 | 43% | 0.433 | S | S | . | . | S | Bend | trans | -81.7 | 158.4 | -175 | -65.6 | 174.8 | 0 | 0 | 0 | 110.6 | R122 T135 N137 C138 | R122-I140 PolarHBondContact NH2-O 3.12Å; T135-I140 HydrophobicContact CG2-CD1 4.19Å; T135-I140 WeakPolarHBondContact OG1-CD1 3.47Å; N137-I140 HydrophobicContact CB-CD1 3.98Å; N137-I140 HydrophobicContact CB-CG1 4.31Å; N137-I140 PolarHBondContact O-N 3.36Å; N137-I140 VanDerWaalsContact O-N 3.09Å; C138-I140 VanDerWaalsContact C-N 3.29Å; C138-I140 PolarHBondContact O-N 3.29Å |
| 141 | K | 80.3 | Confident | 77.5 | Confident | 130 Ų | 130 | 81.6 Ų | 81.6 | 57% | 0.565 | 42% | 0.42 | S | S | * | . | P | Polyproline II helix | trans | -74.8 | 134.8 | 175.4 | -66.5 | -173.5 | 176.3 | -174.9 | 0 | 110.5 | A125 T127 | A125-K141 HydrophobicContact CB-CG 4.37Å; A125-K141 CarbonylContact O-C 3.58Å; A125-K141 WeakPolarHBondContact O-CA 3.42Å; T127-K141 HydrophobicContact CG2-CB 3.8Å |
| 142 | F | 82.2 | Confident | 78 | Confident | 41 Ų | 41 | 78.8 Ų | 78.8 | 18% | 0.18 | 40% | 0.401 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.5 | 139.5 | -179.8 | -67.1 | -84.5 | 0 | 0 | 0 | 111.8 | C119 Y121 A125 L126 T127 | C119-F142 HydrophobicContact CB-CE1 4.28Å; C119-F142 HydrophobicContact CB-CE2 4.28Å; C119-F142 HydrophobicContact CB-CZ 3.54Å; Y121-F142 HydrophobicContact CD1-CB 3.85Å; Y121-F142 HydrophobicContact CD1-CD1 4.36Å; Y121-F142 HydrophobicContact CD1-CG 4.09Å; Y121-F142 HydrophobicContact CE1-CB 4.23Å; Y121-F142 HydrophobicContact CE1-CD1 4.27Å; Y121-F142 HydrophobicContact CE1-CG 4.42Å; A125-F142 PolarHBondContact O-N 2.89Å; L126-F142 CarbonylContact C-O 3.57Å; L126-F142 WeakPolarHBondContact CA-O 3.4Å; L126-F142 HydrophobicContact CD2-CB 4.17Å; T127-F142 VanDerWaalsContact CG2-C 3.47Å; T127-F142 WeakPolarHBondContact CG2-O 3.35Å; T127-F142 PolarHBondContact N-O 3.23Å |
| 143 | Y | 85.7 | Confident | 78.4 | Confident | 92 Ų | 92 | 72.1 Ų | 72.1 | 36% | 0.361 | 37% | 0.367 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.4 | 134.8 | 170.1 | 171.1 | -104.4 | 0 | 0 | 0 | 110.2 | T127 I128 P130 | T127-Y143 WeakPolarHBondContact O-CD2 3.22Å; I128-Y143 VanDerWaalsContact O-CE2 3.23Å; I128-Y143 WeakPolarHBondContact O-CE2 3.42Å; P130-Y143 HydrophobicContact CB-CD1 4.05Å; P130-Y143 HydrophobicContact CB-CD2 4.35Å; P130-Y143 HydrophobicContact CB-CE1 4.26Å; P130-Y143 HydrophobicContact CB-CG 4.09Å |
| 144 | I | 86.8 | Confident | 78.8 | Confident | 1 Ų | 1 | 69.7 Ų | 69.7 | 1% | 0.005 | 35% | 0.354 | C | S | . | . | trans | -128.9 | 140 | 168.4 | 59.7 | 167 | 0 | 0 | 0 | 109.9 | Y121 L126 L146 C158 F161 V163 | Y121-I144 HydrophobicContact CD1-CG2 3.95Å; Y121-I144 HydrophobicContact CE1-CG2 4.2Å; L126-I144 HydrophobicContact CD1-CD1 3.47Å; L126-I144 VanDerWaalsContact CD1-CD1 3.47Å; L126-I144 HydrophobicContact CD1-CG1 4.04Å; L126-I144 HydrophobicContact CD2-CD1 4.26Å; L126-I144 HydrophobicContact CD2-CG1 4.21Å; L126-I144 HydrophobicContact CD2-CG2 4.06Å; L126-I144 HydrophobicContact CG-CD1 4.42Å; I144-L146 HydrophobicContact CD1-CD2 3.72Å; I144-L146 HydrophobicContact CD1-CG 4.3Å; I144-L146 HydrophobicContact CG1-CD2 4.05Å; I144-L146 HydrophobicContact CG1-CG 4.07Å; I144-L146 PolarHBondContact O-N 2.86Å; I144-C158 HydrophobicContact CB-CB 4.39Å; I144-C158 HydrophobicContact CD1-CB 3.94Å; I144-C158 HydrophobicContact CG1-CB 4.49Å; I144-F161 HydrophobicContact CG2-CD2 4.31Å; I144-V163 HydrophobicContact CD1-CG1 4Å | ||
| 145 | P | 87.1 | Confident | 79.9 | Confident | 40 Ų | 40 | 61.5 Ų | 61.5 | 26% | 0.26 | 32% | 0.315 | S | S | . | . | trans | -75.8 | 87.9 | -178.3 | 30.6 | -35.1 | 0 | 0 | 0 | 110.7 | ||||
| 146 | L | 89.4 | Confident | 81.1 | Confident | 17 Ų | 17 | 59.5 Ų | 59.5 | 9% | 0.089 | 30% | 0.301 | C | S | . | . | trans | -76.4 | 137.3 | 176.7 | -65.5 | 172 | 0 | 0 | 0 | 111.2 | I144 Y156 C158 M220 L459 F464 | I144-L146 HydrophobicContact CD1-CD2 3.72Å; I144-L146 HydrophobicContact CD1-CG 4.3Å; I144-L146 HydrophobicContact CG1-CD2 4.05Å; I144-L146 HydrophobicContact CG1-CG 4.07Å; I144-L146 PolarHBondContact O-N 2.86Å; L146-Y156 HydrophobicContact CB-CD1 4.44Å; L146-C158 HydrophobicContact CD2-CB 4.14Å; L146-M220 HydrophobicContact CD1-CE 4.23Å; L146-M220 HydrophobicContact CD1-CG 3.84Å; L146-M220 HydrophobicContact CD1-SD 3.74Å; L146-L459 HydrophobicContact CD1-CD1 3.82Å; L146-F464 HydrophobicContact CB-CE1 4.33Å; L146-F464 HydrophobicContact CB-CZ 4.35Å | ||
| 147 | K | 85.8 | Confident | 82.3 | Confident | 155 Ų | 155 | 51.7 Ų | 51.7 | 67% | 0.674 | 26% | 0.259 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -130.6 | 144.1 | 170 | -65 | -176.8 | -179.1 | -179 | 0 | 109.5 | S149 Y156 V157 | K147-S149 PolarHBondContact O-N 2.95Å; K147-Y156 WeakPolarHBondContact O-CA 3.37Å; K147-V157 PolarHBondContact N-O 3.41Å; K147-V157 PolarHBondContact O-N 2.85Å |
| 148 | Q | 84.3 | Confident | 83.1 | Confident | 99 Ų | 99 | 48 Ų | 48 | 46% | 0.463 | 24% | 0.239 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -65.6 | 133.8 | 173.2 | -160.9 | 174.6 | 17.7 | 0 | 0 | 109.6 | N154 Y156 | Q148-N154 WeakPolarHBondContact CG-O 3.41Å; Q148-N154 PolarHBondContact NE2-O 2.96Å; Q148-Y156 HydrophobicContact CB-CD1 4.21Å; Q148-Y156 HydrophobicContact CB-CE1 3.89Å; Q148-Y156 HydrophobicContact CB-CE2 4.31Å; Q148-Y156 HydrophobicContact CG-CD2 4.47Å; Q148-Y156 HydrophobicContact CG-CE2 4.13Å |
| 149 | S | 82.6 | Confident | 83.7 | Confident | 5 Ų | 5 | 50.6 Ų | 50.6 | 4% | 0.035 | 25% | 0.246 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.7 | 112 | -176.7 | 176.3 | 0 | 0 | 0 | 0 | 111.5 | K147 H151 H152 N154 Q155 Y159 | K147-S149 PolarHBondContact O-N 2.95Å; S149-H151 PolarHBondContact O-N 2.81Å; S149-H152 CarbonylContact O-C 3.42Å; S149-H152 PolarHBondContact O-N 2.93Å; S149-H152 PolarHBondContact OG-N 3.45Å; S149-H152 PolarHBondContact OG-ND1 2.96Å; S149-N154 VanDerWaalsContact O-CA 3.31Å; S149-N154 WeakPolarHBondContact O-CA 3.44Å; S149-N154 PolarHBondContact O-N 2.86Å; S149-Q155 PolarHBondContact N-O 2.79Å; S149-Y159 PolarHBondContact OG-OH 3.05Å |
| 150 | P | 74.4 | Confident | 84.5 | Confident | 41 Ų | 41 | 51.4 Ų | 51.4 | 27% | 0.266 | 24% | 0.244 | S | C | . | . | G | 310 helix | trans | -54.6 | -39.2 | 172.7 | -27.4 | 35.9 | 0 | 0 | 0 | 113.5 | H152 D153 N154 L738 | P150-H152 PolarHBondContact O-N 3.18Å; P150-D153 PolarHBondContact O-N 3.05Å; P150-N154 WeakPolarHBondContact CA-OD1 3.35Å; P150-L738 HydrophobicContact CB-CD1 4.02Å |
| 151 | H | 78.9 | Confident | 85.1 | Confident | 48 Ų | 48 | 51.1 Ų | 51.1 | 22% | 0.222 | 24% | 0.241 | C | C | . | . | G | 310 helix | trans | -60.1 | -27.8 | 176.1 | -173.5 | 57 | 0 | 0 | 0 | 114.4 | S149 P199 L201 | S149-H151 PolarHBondContact O-N 2.81Å; H151-P199 PolarHBondContact CE1-O 3.18Å; H151-P199 PolarHBondContact NE2-O 3.05Å; H151-L201 PolarHBondContact NE2-O 3.12Å |
| 152 | H | 82.6 | Confident | 85.8 | Confident | 4 Ų | 4 | 45 Ų | 45 | 2% | 0.019 | 21% | 0.214 | C | C | . | . | G | 310 helix | trans | -108.6 | 47.3 | 178.5 | -61.2 | 83.9 | 0 | 0 | 0 | 109.6 | S149 P150 N154 Q155 V157 Y159 K202 W203 P217 | S149-H152 CarbonylContact O-C 3.42Å; S149-H152 PolarHBondContact O-N 2.93Å; S149-H152 PolarHBondContact OG-N 3.45Å; S149-H152 PolarHBondContact OG-ND1 2.96Å; P150-H152 PolarHBondContact O-N 3.18Å; H152-N154 VanDerWaalsContact C-N 3.26Å; H152-N154 PolarHBondContact O-N 2.88Å; H152-Q155 WeakPolarHBondContact O-CG 3.14Å; H152-Q155 PolarHBondContact O-N 2.97Å; H152-Q155 PolarHBondContact O-OE1 2.81Å; H152-Q155 VanDerWaalsContact O-OE1 3.1Å; H152-V157 HydrophobicContact CB-CG1 4.04Å; H152-Y159 AromaticContact CE1-CE1 3.67Å; H152-Y159 AromaticContact CE1-CZ 3.73Å; H152-Y159 PolarHBondContact CE1-OH 2.98Å; H152-Y159 AromaticContact ND1-CZ 3.92Å; H152-Y159 PolarHBondContact ND1-OH 3.23Å; H152-K202 PolarHBondContact CD2-O 2.85Å; H152-K202 VanDerWaalsContact CD2-O 3.29Å; H152-K202 PolarHBondContact NE2-O 3.42Å; H152-W203 HydrophobicContact CB-CZ2 4.32Å; H152-W203 AromaticContact CD2-CZ2 3.88Å; H152-P217 WeakPolarHBondContact NE2-CG 3.35Å |
| 153 | D | 77.3 | Confident | 86.4 | Confident | 40 Ų | 40 | 43 Ų | 43 | 21% | 0.214 | 21% | 0.206 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 54 | 41.5 | 174 | -51.6 | -37.2 | 0 | 0 | 0 | 112.8 | P150 Q155 K202 K506 Y508 | P150-D153 PolarHBondContact O-N 3.05Å; D153-Q155 PolarHBondContact O-N 2.97Å; D153-Q155 VanDerWaalsContact O-N 3.1Å; D153-K202 IonicContact OD1-NZ 2.69Å; D153-K202 PolarHBondContact OD1-NZ 3.44Å; D153-K202 IonicContact OD2-NZ 3.27Å; D153-K202 PolarHBondContact OD2-NZ 3.48Å; D153-K506 VanDerWaalsContact OD1-CD 3.32Å; D153-K506 WeakPolarHBondContact OD1-CD 3.42Å; D153-K506 WeakPolarHBondContact OD1-CE 3.49Å; D153-K506 IonicContact OD1-NZ 2.71Å; D153-K506 PolarHBondContact OD1-NZ 2.98Å; D153-Y508 PolarHBondContact OD2-OH 2.94Å |
| 154 | N | 78.5 | Confident | 86.9 | Confident | 78 Ų | 78 | 38.9 Ų | 38.9 | 42% | 0.417 | 19% | 0.19 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 57.1 | 20.1 | -177.9 | -74 | -35.6 | 0 | 0 | 0 | 115.4 | Q148 S149 P150 H152 | Q148-N154 WeakPolarHBondContact CG-O 3.41Å; Q148-N154 PolarHBondContact NE2-O 2.96Å; S149-N154 VanDerWaalsContact O-CA 3.31Å; S149-N154 WeakPolarHBondContact O-CA 3.44Å; S149-N154 PolarHBondContact O-N 2.86Å; P150-N154 WeakPolarHBondContact CA-OD1 3.35Å; H152-N154 VanDerWaalsContact C-N 3.26Å; H152-N154 PolarHBondContact O-N 2.88Å |
| 155 | Q | 84.7 | Confident | 87.2 | Confident | 20 Ų | 20 | 38.9 Ų | 38.9 | 9% | 0.093 | 19% | 0.19 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -90.4 | 162.1 | 173.4 | 0.5 | 118.1 | -164.1 | 0 | 0 | 112.9 | S149 H152 D153 R452 | S149-Q155 PolarHBondContact N-O 2.79Å; H152-Q155 WeakPolarHBondContact O-CG 3.14Å; H152-Q155 PolarHBondContact O-N 2.97Å; H152-Q155 PolarHBondContact O-OE1 2.81Å; H152-Q155 VanDerWaalsContact O-OE1 3.1Å; D153-Q155 PolarHBondContact O-N 2.97Å; D153-Q155 VanDerWaalsContact O-N 3.1Å; Q155-R452 VanDerWaalsContact CD-NH1 3.29Å |
| 156 | Y | 89.7 | Confident | 87.5 | Confident | 25 Ų | 25 | 37.5 Ų | 37.5 | 10% | 0.098 | 18% | 0.181 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -85 | 116.7 | -174.1 | -75.9 | -94.9 | 0 | 0 | 0 | 110.4 | L146 K147 Q148 L459 F464 | L146-Y156 HydrophobicContact CB-CD1 4.44Å; K147-Y156 WeakPolarHBondContact O-CA 3.37Å; Q148-Y156 HydrophobicContact CB-CD1 4.21Å; Q148-Y156 HydrophobicContact CB-CE1 3.89Å; Q148-Y156 HydrophobicContact CB-CE2 4.31Å; Q148-Y156 HydrophobicContact CG-CD2 4.47Å; Q148-Y156 HydrophobicContact CG-CE2 4.13Å; Y156-L459 HydrophobicContact CD2-CB 3.61Å; Y156-L459 HydrophobicContact CD2-CD1 4.5Å; Y156-L459 HydrophobicContact CE2-CB 3.99Å; Y156-L459 WeakPolarHBondContact CE2-O 3.46Å; Y156-L459 HydrophobicContact CG-CB 4.13Å; Y156-L459 HydrophobicContact CG-CD1 4.21Å; Y156-F464 HydrophobicContact CD1-CE1 4.27Å; Y156-F464 AromaticContact CD1-CE2 3.53Å; Y156-F464 HydrophobicContact CD1-CE2 3.53Å; Y156-F464 AromaticContact CD1-CZ 3.26Å; Y156-F464 HydrophobicContact CD1-CZ 3.26Å; Y156-F464 HydrophobicContact CE1-CD2 4.02Å; Y156-F464 HydrophobicContact CE1-CE1 4.34Å; Y156-F464 AromaticContact CE1-CE2 3.16Å; Y156-F464 HydrophobicContact CE1-CE2 3.16Å; Y156-F464 AromaticContact CE1-CZ 3.37Å; Y156-F464 HydrophobicContact CE1-CZ 3.37Å; Y156-F464 HydrophobicContact CE2-CE2 4.24Å; Y156-F464 HydrophobicContact CG-CE2 4.19Å; Y156-F464 HydrophobicContact CG-CZ 4Å; Y156-F464 AromaticContact CZ-CE2 3.56Å |
| 157 | V | 91.8 | Very high | 87.6 | Confident | 1 Ų | 1 | 36.8 Ų | 36.8 | 1% | 0.006 | 18% | 0.177 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -132.1 | 158.3 | -175.4 | -58.3 | 0 | 0 | 0 | 0 | 111.3 | K147 H152 Y159 W203 P217 G218 A219 | K147-V157 PolarHBondContact N-O 3.41Å; K147-V157 PolarHBondContact O-N 2.85Å; H152-V157 HydrophobicContact CB-CG1 4.04Å; V157-Y159 HydrophobicContact CG2-CD2 4.32Å; V157-Y159 HydrophobicContact CG2-CE2 3.69Å; V157-W203 HydrophobicContact CG1-CH2 3.78Å; V157-W203 HydrophobicContact CG1-CZ2 4.48Å; V157-P217 HydrophobicContact CB-CB 4.16Å; V157-P217 HydrophobicContact CB-CG 3.94Å; V157-P217 HydrophobicContact CG1-CG 4.23Å; V157-P217 HydrophobicContact CG2-CG 4.2Å; V157-G218 CarbonylContact C-O 3.53Å; V157-G218 WeakPolarHBondContact CA-O 3.4Å; V157-A219 HydrophobicContact CG1-CB 4.44Å |
| 158 | C | 92.9 | Very high | 87.6 | Confident | 1 Ų | 1 | 32.8 Ų | 32.8 | 1% | 0.007 | 17% | 0.166 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.2 | 110.5 | 178.6 | 178.8 | 0 | 0 | 0 | 0 | 109.3 | I144 L146 N160 P217 G218 | I144-C158 HydrophobicContact CB-CB 4.39Å; I144-C158 HydrophobicContact CD1-CB 3.94Å; I144-C158 HydrophobicContact CG1-CB 4.49Å; L146-C158 HydrophobicContact CD2-CB 4.14Å; C158-N160 PolarHBondContact O-N 3.41Å; C158-P217 WeakPolarHBondContact O-CB 3.29Å; C158-G218 WeakPolarHBondContact CB-O 3.29Å; C158-G218 PolarHBondContact N-O 2.84Å; C158-G218 PolarHBondContact O-N 3.14Å |
| 159 | Y | 90.1 | Very high | 87.7 | Confident | 81 Ų | 81 | 31.1 Ų | 31.1 | 32% | 0.318 | 16% | 0.16 | S | C | . | . | S | Bend | trans | -77.4 | -8.4 | 176.8 | -65.5 | -78.5 | 0 | 0 | 0 | 113.4 | S149 H152 V157 Y216 P217 | S149-Y159 PolarHBondContact OG-OH 3.05Å; H152-Y159 AromaticContact CE1-CE1 3.67Å; H152-Y159 AromaticContact CE1-CZ 3.73Å; H152-Y159 PolarHBondContact CE1-OH 2.98Å; H152-Y159 AromaticContact ND1-CZ 3.92Å; H152-Y159 PolarHBondContact ND1-OH 3.23Å; V157-Y159 HydrophobicContact CG2-CD2 4.32Å; V157-Y159 HydrophobicContact CG2-CE2 3.69Å; Y159-Y216 WeakPolarHBondContact O-CE2 3.32Å; Y159-Y216 PolarHBondContact O-OH 2.82Å; Y159-P217 HydrophobicContact CD1-CB 4.06Å; Y159-P217 HydrophobicContact CE1-CB 4.33Å; Y159-P217 HydrophobicContact CE1-CG 4.29Å |
| 160 | N | 90.3 | Very high | 87.9 | Confident | 89 Ų | 89 | 32 Ų | 32 | 48% | 0.476 | 17% | 0.165 | S | C | . | . | S | Bend | trans | -83.5 | -29.7 | -177.4 | -69 | 0.6 | 0 | 0 | 0 | 112.6 | C158 K192 | C158-N160 PolarHBondContact O-N 3.41Å; N160-K192 WeakPolarHBondContact O-CE 3.15Å; N160-K192 PolarHBondContact O-NZ 3.08Å |
| 161 | F | 90.8 | Very high | 88.5 | Confident | 65 Ų | 65 | 37.4 Ų | 37.4 | 29% | 0.285 | 18% | 0.181 | S | C | . | . | trans | -139.4 | 144.1 | -169.3 | -54.1 | -69.4 | 0 | 0 | 0 | 110.9 | Y121 I144 G218 | Y121-F161 HydrophobicContact CD2-CB 4.18Å; Y121-F161 HydrophobicContact CD2-CD1 4.5Å; Y121-F161 HydrophobicContact CD2-CG 4.44Å; Y121-F161 HydrophobicContact CE2-CB 4.15Å; Y121-F161 AromaticContact CE2-CD1 3.67Å; Y121-F161 HydrophobicContact CE2-CD1 3.67Å; Y121-F161 HydrophobicContact CE2-CE1 4.26Å; Y121-F161 AromaticContact CE2-CG 3.93Å; Y121-F161 HydrophobicContact CE2-CG 3.93Å; I144-F161 HydrophobicContact CG2-CD2 4.31Å; F161-G218 VanDerWaalsContact O-CA 3.28Å; F161-G218 WeakPolarHBondContact O-CA 3.47Å; F161-G218 PolarHBondContact O-N 3.37Å | ||
| 162 | S | 95.2 | Very high | 88.9 | Confident | 2 Ų | 2 | 37.2 Ų | 37.2 | 1% | 0.014 | 18% | 0.182 | C | C | . | . | trans | -81.2 | 161 | 159.3 | 71 | 0 | 0 | 0 | 0 | 109.7 | D188 R214 Y215 | S162-D188 WeakPolarHBondContact CB-OD1 3.14Å; S162-D188 PolarHBondContact OG-OD1 3.36Å; S162-R214 WeakPolarHBondContact OG-CD 3.17Å; S162-R214 PolarHBondContact OG-NH1 3.48Å; S162-Y215 WeakPolarHBondContact CA-O 3.35Å; S162-Y215 VanDerWaalsContact CB-O 3.27Å; S162-Y215 WeakPolarHBondContact CB-O 3.33Å | ||
| 163 | V | 95.4 | Very high | 89.2 | Confident | 0 Ų | 0 | 38.2 Ų | 38.2 | 0% | 0 | 19% | 0.187 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.8 | 164.6 | 176.5 | -58.1 | 0 | 0 | 0 | 0 | 109.7 | Y121 A123 L126 I144 R214 Y215 A219 | Y121-V163 CarbonylContact O-C 2.91Å; Y121-V163 WeakPolarHBondContact O-CA 2.93Å; A123-V163 HydrophobicContact CB-CB 4.19Å; A123-V163 HydrophobicContact CB-CG2 3.88Å; L126-V163 HydrophobicContact CD1-CG1 4.16Å; I144-V163 HydrophobicContact CD1-CG1 4Å; V163-R214 WeakPolarHBondContact O-CA 3.24Å; V163-Y215 HydrophobicContact CG2-CD1 4.19Å; V163-Y215 HydrophobicContact CG2-CD2 4.06Å; V163-Y215 HydrophobicContact CG2-CE1 3.6Å; V163-Y215 HydrophobicContact CG2-CE2 3.44Å; V163-Y215 VanDerWaalsContact CG2-CE2 3.44Å; V163-Y215 HydrophobicContact CG2-CG 4.41Å; V163-Y215 WeakPolarHBondContact CG2-OH 3.45Å; V163-Y215 PolarHBondContact N-O 3.35Å; V163-Y215 VanDerWaalsContact N-O 3.09Å; V163-Y215 PolarHBondContact O-N 2.83Å; V163-A219 WeakPolarHBondContact CG2-O 3.28Å |
| 164 | V | 95.7 | Very high | 89.7 | Confident | 4 Ų | 4 | 37.8 Ų | 37.8 | 2% | 0.024 | 19% | 0.187 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.8 | 126.6 | -172.2 | -178.8 | 0 | 0 | 0 | 0 | 110.4 | Y120 Y121 A123 V166 F212 F213 R214 | Y120-V164 HydrophobicContact CD2-CB 3.57Å; Y120-V164 HydrophobicContact CD2-CG1 3.99Å; Y120-V164 HydrophobicContact CD2-CG2 3.65Å; Y120-V164 HydrophobicContact CE2-CB 3.72Å; Y120-V164 HydrophobicContact CE2-CG1 3.72Å; Y120-V164 HydrophobicContact CE2-CG2 4.26Å; Y120-V164 HydrophobicContact CG-CG2 4.42Å; Y121-V164 PolarHBondContact O-N 3.32Å; A123-V164 WeakPolarHBondContact CB-O 3.45Å; A123-V164 PolarHBondContact N-O 2.99Å; V164-V166 HydrophobicContact CG1-CG2 4.06Å; V164-F212 HydrophobicContact CB-CE1 4.3Å; V164-F212 HydrophobicContact CB-CE2 4.33Å; V164-F212 HydrophobicContact CB-CZ 3.99Å; V164-F212 HydrophobicContact CG1-CD1 3.84Å; V164-F212 HydrophobicContact CG1-CD2 3.66Å; V164-F212 HydrophobicContact CG1-CE1 3.65Å; V164-F212 HydrophobicContact CG1-CE2 3.48Å; V164-F212 VanDerWaalsContact CG1-CE2 3.48Å; V164-F212 HydrophobicContact CG1-CG 3.84Å; V164-F212 HydrophobicContact CG1-CZ 3.45Å; V164-F212 VanDerWaalsContact CG1-CZ 3.45Å; V164-F212 HydrophobicContact CG2-CE1 3.62Å; V164-F212 HydrophobicContact CG2-CE2 4.14Å; V164-F212 HydrophobicContact CG2-CZ 3.35Å; V164-F213 CarbonylContact C-O 3.56Å; V164-F213 VanDerWaalsContact CA-O 3.27Å; V164-F213 WeakPolarHBondContact CA-O 3.36Å; V164-R214 HydrophobicContact CG2-CB 4.14Å; V164-R214 HydrophobicContact CG2-CG 4.17Å |
| 165 | H | 94.7 | Very high | 90.1 | Very high | 1 Ų | 1 | 38.6 Ų | 38.6 | 1% | 0.005 | 19% | 0.192 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -95.1 | 144 | 163.8 | 170.4 | -75.7 | 0 | 0 | 0 | 110 | K124 F213 Y215 W221 D231 F233 | K124-H165 VanDerWaalsContact CE-CD2 3.48Å; K124-H165 WeakPolarHBondContact CE-CD2 3.35Å; K124-H165 WeakPolarHBondContact CE-NE2 3.49Å; K124-H165 PolarHBondContact NZ-NE2 3.42Å; H165-F213 HydrophobicContact CB-CB 4.28Å; H165-F213 HydrophobicContact CB-CD1 4.05Å; H165-F213 PolarHBondContact N-O 2.94Å; H165-F213 PolarHBondContact O-N 2.75Å; H165-Y215 HydrophobicContact CB-CE1 4.39Å; H165-W221 HydrophobicContact CB-CE3 4.41Å; H165-W221 AromaticContact CD2-CD1 3.72Å; H165-W221 AromaticContact CD2-CD2 3.53Å; H165-W221 AromaticContact CD2-CE2 3.32Å; H165-W221 AromaticContact CD2-CG 3.79Å; H165-W221 AromaticContact CD2-CZ2 3.79Å; H165-W221 AromaticContact CD2-NE1 3.4Å; H165-W221 PolarHBondContact CD2-NE1 2.91Å; H165-W221 AromaticContact NE2-CE2 3.71Å; H165-W221 AromaticContact NE2-CZ2 3.96Å; H165-W221 AromaticContact NE2-NE1 3.58Å; H165-D231 IonicContact CD2-OD2 3.74Å; H165-D231 PolarHBondContact CD2-OD2 3.41Å; H165-D231 IonicContact CE1-OD2 3.42Å; H165-D231 IonicContact NE2-OD2 2.64Å; H165-D231 PolarHBondContact NE2-OD2 3.11Å; H165-F233 AromaticContact CE1-CD1 3.53Å; H165-F233 PolarHBondContact CE1-O 2.86Å; H165-F233 VanDerWaalsContact CE1-O 3.26Å; H165-F233 AromaticContact ND1-CD1 3.78Å; H165-F233 AromaticContact NE2-CD1 3.87Å |
| 166 | V | 93.5 | Very high | 90.3 | Very high | 11 Ų | 11 | 43.1 Ų | 43.1 | 7% | 0.067 | 21% | 0.211 | C | C | . | . | trans | -131.8 | 133.2 | 172.8 | -179.4 | 0 | 0 | 0 | 0 | 107.6 | K124 V164 V170 D172 L177 | K124-V166 PolarHBondContact NZ-O 3.48Å; V164-V166 HydrophobicContact CG1-CG2 4.06Å; V166-V170 HydrophobicContact CG1-CB 3.73Å; V166-V170 HydrophobicContact CG1-CG1 3.73Å; V166-D172 HydrophobicContact CB-CB 4.07Å; V166-D172 HydrophobicContact CG1-CB 4.15Å; V166-D172 HydrophobicContact CG2-CB 4.12Å; V166-L177 HydrophobicContact CG2-CD1 4.48Å | ||
| 167 | P | 90.9 | Very high | 90.3 | Very high | 3 Ų | 3 | 42.1 Ų | 42.1 | 2% | 0.019 | 21% | 0.207 | C | C | . | . | trans | -67.7 | 153.8 | 179.9 | 30 | -37.5 | 0 | 0 | 0 | 111.4 | N169 V170 G211 D234 | P167-N169 WeakPolarHBondContact CB-OD1 3.03Å; P167-N169 PolarHBondContact O-N 3.34Å; P167-V170 HydrophobicContact CG-CB 4.16Å; P167-V170 HydrophobicContact CG-CG2 3.84Å; P167-V170 PolarHBondContact O-N 2.95Å; P167-G211 WeakPolarHBondContact CD-O 3.3Å; P167-D234 HydrophobicContact CB-CB 4.13Å | ||
| 168 | T | 86.6 | Confident | 90.2 | Very high | 70 Ų | 70 | 44.8 Ų | 44.8 | 43% | 0.429 | 22% | 0.219 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -63.4 | -26 | -169.9 | -62.3 | 0 | 0 | 0 | 0 | 114.1 | V170 L230 D231 | T168-V170 VanDerWaalsContact C-N 3.25Å; T168-V170 PolarHBondContact O-N 2.03Å; T168-L230 HydrophobicContact CG2-CD2 4.35Å; T168-D231 PolarHBondContact OG1-N 2.95Å; T168-D231 PolarHBondContact OG1-O 3.42Å |
| 169 | N | 84.4 | Confident | 90 | Very high | 65 Ų | 65 | 51.2 Ų | 51.2 | 35% | 0.348 | 24% | 0.243 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -78.2 | -3.1 | 176.3 | 63 | -47.8 | 0 | 0 | 0 | 113.9 | P167 | P167-N169 WeakPolarHBondContact CB-OD1 3.03Å; P167-N169 PolarHBondContact O-N 3.34Å |
| 170 | V | 87.4 | Confident | 90.1 | Very high | 22 Ų | 22 | 48.2 Ų | 48.2 | 13% | 0.133 | 23% | 0.232 | C | C | . | . | S | Bend | trans | -115.7 | 127 | -179.8 | 178 | 0 | 0 | 0 | 0 | 110 | V166 P167 T168 D172 L177 | V166-V170 HydrophobicContact CG1-CB 3.73Å; V166-V170 HydrophobicContact CG1-CG1 3.73Å; P167-V170 HydrophobicContact CG-CB 4.16Å; P167-V170 HydrophobicContact CG-CG2 3.84Å; P167-V170 PolarHBondContact O-N 2.95Å; T168-V170 VanDerWaalsContact C-N 3.25Å; T168-V170 PolarHBondContact O-N 2.03Å; V170-D172 PolarHBondContact O-N 3.49Å; V170-D172 VanDerWaalsContact O-N 3.15Å; V170-L177 HydrophobicContact CG1-CD1 4.17Å; V170-L177 HydrophobicContact CG1-CD2 4.05Å; V170-L177 HydrophobicContact CG1-CG 4.1Å |
| 171 | Y | 87.7 | Confident | 90.2 | Very high | 155 Ų | 155 | 44.1 Ų | 44.1 | 61% | 0.608 | 21% | 0.211 | S | C | * | . | trans | -72.3 | 108.5 | 176.8 | -175.3 | -125.7 | 0 | 0 | 0 | 111.2 | L173 S174 | Y171-L173 VanDerWaalsContact C-N 3.28Å; Y171-L173 HydrophobicContact CE1-CB 3.88Å; Y171-L173 HydrophobicContact CE2-CB 4.2Å; Y171-L173 PolarHBondContact O-N 2.86Å; Y171-S174 WeakPolarHBondContact O-CB 3.33Å; Y171-S174 PolarHBondContact O-N 3.23Å; Y171-S174 PolarHBondContact O-OG 3.27Å | ||
| 172 | D | 87.4 | Confident | 90.1 | Very high | 45 Ų | 45 | 44.5 Ų | 44.5 | 24% | 0.241 | 22% | 0.216 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -63.5 | -27.9 | -174.1 | 67.8 | -24.8 | 0 | 0 | 0 | 113.4 | Y120 R122 V166 V170 | Y120-D172 WeakPolarHBondContact OH-CB 3.46Å; Y120-D172 PolarHBondContact OH-O 2.9Å; R122-D172 WeakPolarHBondContact CD-OD2 3.39Å; R122-D172 IonicContact CZ-OD2 3.56Å; R122-D172 IonicContact NE-OD2 2.71Å; R122-D172 IonicContact NH1-OD2 2.68Å; R122-D172 PolarHBondContact NH1-OD2 3.34Å; V166-D172 HydrophobicContact CB-CB 4.07Å; V166-D172 HydrophobicContact CG1-CB 4.15Å; V166-D172 HydrophobicContact CG2-CB 4.12Å; V170-D172 PolarHBondContact O-N 3.49Å; V170-D172 VanDerWaalsContact O-N 3.15Å |
| 173 | L | 87.5 | Confident | 90 | Very high | 25 Ų | 25 | 45.5 Ų | 45.5 | 13% | 0.131 | 22% | 0.219 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -97.6 | 11.3 | 179.7 | -61.1 | 176 | 0 | 0 | 0 | 114.3 | C138 Y171 K178 | C138-L173 HydrophobicContact CB-CD2 4.01Å; Y171-L173 VanDerWaalsContact C-N 3.28Å; Y171-L173 HydrophobicContact CE1-CB 3.88Å; Y171-L173 HydrophobicContact CE2-CB 4.2Å; Y171-L173 PolarHBondContact O-N 2.86Å; L173-K178 WeakPolarHBondContact O-CE 3.47Å; L173-K178 PolarHBondContact O-NZ 3Å |
| 174 | S | 88.9 | Confident | 89.9 | Confident | 31 Ų | 31 | 45.5 Ų | 45.5 | 22% | 0.217 | 22% | 0.219 | C | C | . | . | S | Bend | trans | -65.2 | 148.6 | 174 | 61.3 | 0 | 0 | 0 | 0 | 111.9 | Y171 K176 L177 K178 | Y171-S174 WeakPolarHBondContact O-CB 3.33Å; Y171-S174 PolarHBondContact O-N 3.23Å; Y171-S174 PolarHBondContact O-OG 3.27Å; S174-K176 PolarHBondContact O-N 2.84Å; S174-L177 PolarHBondContact O-N 3.17Å; S174-L177 WeakPolarHBondContact OG-CB 3.1Å; S174-L177 VanDerWaalsContact OG-CD2 3.29Å; S174-L177 WeakPolarHBondContact OG-CD2 3.1Å; S174-L177 WeakPolarHBondContact OG-CG 3.25Å; S174-L177 PolarHBondContact OG-N 2.77Å; S174-K178 PolarHBondContact O-N 2.98Å |
| 175 | D | 87 | Confident | 89.8 | Confident | 95 Ų | 95 | 48.1 Ų | 48.1 | 51% | 0.508 | 24% | 0.236 | S | C | . | . | H | α-helix | trans | -64.5 | -27.1 | -179.6 | -58.7 | -34.8 | 0 | 0 | 0 | 112.5 | K178 R179 | D175-K178 IonicContact OD1-NZ 2.99Å; D175-K178 PolarHBondContact OD1-NZ 3.01Å; D175-R179 WeakPolarHBondContact O-CG 3.14Å; D175-R179 PolarHBondContact O-N 3.04Å |
| 176 | K | 87.9 | Confident | 89.6 | Confident | 115 Ų | 115 | 52.2 Ų | 52.2 | 50% | 0.5 | 26% | 0.255 | S | S | . | . | H | α-helix | trans | -58.6 | -48.7 | 169.5 | -171.4 | -174.6 | -173 | -167.8 | 0 | 111.1 | S174 R179 I180 T210 | S174-K176 PolarHBondContact O-N 2.84Å; K176-R179 PolarHBondContact O-N 3.2Å; K176-I180 WeakPolarHBondContact O-CG1 3.34Å; K176-I180 PolarHBondContact O-N 3.1Å; K176-T210 HydrophobicContact CD-CG2 4.3Å |
| 177 | L | 90.3 | Very high | 89.8 | Confident | 4 Ų | 4 | 51.7 Ų | 51.7 | 2% | 0.021 | 25% | 0.252 | C | S | . | . | H | α-helix | trans | -74.3 | -35.6 | -177.9 | -80.3 | -79.8 | 0 | 0 | 0 | 111.4 | V166 V170 S174 R179 I180 G181 F212 | V166-L177 HydrophobicContact CG2-CD1 4.48Å; V170-L177 HydrophobicContact CG1-CD1 4.17Å; V170-L177 HydrophobicContact CG1-CD2 4.05Å; V170-L177 HydrophobicContact CG1-CG 4.1Å; S174-L177 PolarHBondContact O-N 3.17Å; S174-L177 WeakPolarHBondContact OG-CB 3.1Å; S174-L177 VanDerWaalsContact OG-CD2 3.29Å; S174-L177 WeakPolarHBondContact OG-CD2 3.1Å; S174-L177 WeakPolarHBondContact OG-CG 3.25Å; S174-L177 PolarHBondContact OG-N 2.77Å; L177-R179 PolarHBondContact O-N 3.28Å; L177-I180 PolarHBondContact O-N 3.49Å; L177-G181 PolarHBondContact O-N 2.9Å; L177-F212 HydrophobicContact CD1-CB 3.88Å; L177-F212 HydrophobicContact CD1-CD2 3.71Å; L177-F212 HydrophobicContact CD1-CG 4.3Å |
| 178 | K | 89.4 | Confident | 90 | Very high | 56 Ų | 56 | 52.9 Ų | 52.9 | 24% | 0.243 | 26% | 0.258 | C | S | . | . | H | α-helix | trans | -60.4 | -42 | 171.6 | -67.9 | 177.9 | -168.1 | 150.5 | 0 | 112.4 | P116 L173 S174 D175 I180 G181 N182 | P116-K178 HydrophobicContact CB-CB 3.86Å; P116-K178 HydrophobicContact CG-CB 3.67Å; P116-K178 HydrophobicContact CG-CD 4.19Å; L173-K178 WeakPolarHBondContact O-CE 3.47Å; L173-K178 PolarHBondContact O-NZ 3Å; S174-K178 PolarHBondContact O-N 2.98Å; D175-K178 IonicContact OD1-NZ 2.99Å; D175-K178 PolarHBondContact OD1-NZ 3.01Å; K178-I180 VanDerWaalsContact C-N 3.32Å; K178-I180 PolarHBondContact O-N 3.44Å; K178-G181 PolarHBondContact O-N 2.88Å; K178-N182 PolarHBondContact O-N 2.86Å |
| 179 | R | 89.1 | Confident | 90.4 | Very high | 136 Ų | 136 | 55.5 Ų | 55.5 | 51% | 0.513 | 26% | 0.263 | S | S | . | . | H | α-helix | trans | -60.3 | -42.1 | 174.2 | -76.6 | -175.1 | -64.7 | -134.7 | 0.6 | 111.7 | P116 D175 K176 L177 N182 W183 | P116-R179 HydrophobicContact CB-CG 4.34Å; P116-R179 HydrophobicContact CG-CG 4.17Å; D175-R179 WeakPolarHBondContact O-CG 3.14Å; D175-R179 PolarHBondContact O-N 3.04Å; K176-R179 PolarHBondContact O-N 3.2Å; L177-R179 PolarHBondContact O-N 3.28Å; R179-N182 PolarHBondContact O-N 3.48Å; R179-W183 PolarHBondContact O-N 3.27Å |
| 180 | I | 92.2 | Very high | 91 | Very high | 19 Ų | 19 | 53.7 Ų | 53.7 | 10% | 0.097 | 25% | 0.254 | C | S | . | . | H | α-helix | trans | -63.5 | -45.1 | 174.9 | -63.2 | 168.9 | 0 | 0 | 0 | 110.8 | K176 L177 K178 N182 W183 T184 T210 F212 | K176-I180 WeakPolarHBondContact O-CG1 3.34Å; K176-I180 PolarHBondContact O-N 3.1Å; L177-I180 PolarHBondContact O-N 3.49Å; K178-I180 VanDerWaalsContact C-N 3.32Å; K178-I180 PolarHBondContact O-N 3.44Å; I180-N182 VanDerWaalsContact C-N 3.28Å; I180-N182 PolarHBondContact O-N 3.49Å; I180-W183 HydrophobicContact CG2-CZ2 4.31Å; I180-T184 HydrophobicContact CG2-CG2 4.03Å; I180-T184 WeakPolarHBondContact O-CB 3.23Å; I180-T184 WeakPolarHBondContact O-CG2 3.49Å; I180-T184 PolarHBondContact O-N 3.44Å; I180-T184 VanDerWaalsContact O-N 3.08Å; I180-T184 PolarHBondContact O-OG1 3.23Å; I180-T210 HydrophobicContact CD1-CG2 3.59Å; I180-T210 WeakPolarHBondContact CD1-OG1 3.46Å; I180-F212 HydrophobicContact CB-CD2 4.35Å; I180-F212 HydrophobicContact CB-CG 4.43Å; I180-F212 HydrophobicContact CG2-CB 3.96Å; I180-F212 HydrophobicContact CG2-CD1 3.68Å; I180-F212 HydrophobicContact CG2-CD2 4.02Å; I180-F212 HydrophobicContact CG2-CE1 4.1Å; I180-F212 HydrophobicContact CG2-CE2 4.39Å; I180-F212 HydrophobicContact CG2-CG 3.65Å; I180-F212 HydrophobicContact CG2-CZ 4.44Å |
| 181 | G | 91.4 | Very high | 91.5 | Very high | 3 Ų | 3 | 52.6 Ų | 52.6 | 3% | 0.031 | 25% | 0.248 | C | C | . | . | H | α-helix | trans | -55.2 | -42.6 | 174.3 | 0 | 0 | 0 | 0 | 0 | 113.1 | L177 K178 T184 T185 F212 R214 | L177-G181 PolarHBondContact O-N 2.9Å; K178-G181 PolarHBondContact O-N 2.88Å; G181-T184 PolarHBondContact O-OG1 3.35Å; G181-T185 WeakPolarHBondContact O-CG2 3.13Å; G181-T185 PolarHBondContact O-N 3.36Å; G181-F212 VanDerWaalsContact CA-CZ 3.41Å; G181-R214 PolarHBondContact O-NH2 2.9Å |
| 182 | N | 90.2 | Very high | 91.8 | Very high | 73 Ų | 73 | 48.7 Ų | 48.7 | 39% | 0.39 | 23% | 0.234 | S | C | . | . | H | α-helix | trans | -64.4 | -58 | -179 | -170.6 | 20.3 | 0 | 0 | 0 | 112.5 | K178 R179 I180 T184 T185 | K178-N182 PolarHBondContact O-N 2.86Å; R179-N182 PolarHBondContact O-N 3.48Å; I180-N182 VanDerWaalsContact C-N 3.28Å; I180-N182 PolarHBondContact O-N 3.49Å; N182-T184 VanDerWaalsContact C-N 3.31Å; N182-T184 PolarHBondContact O-N 2.88Å; N182-T185 WeakPolarHBondContact O-CB 3.33Å; N182-T185 WeakPolarHBondContact O-CG2 3.36Å; N182-T185 PolarHBondContact O-N 3.47Å; N182-T185 PolarHBondContact O-OG1 3.33Å |
| 183 | W | 91.6 | Very high | 92.2 | Very high | 22 Ų | 22 | 51.5 Ų | 51.5 | 8% | 0.083 | 25% | 0.249 | C | C | . | . | H | α-helix | trans | -70.2 | -28.8 | -175.7 | 71.9 | -104.3 | 0 | 0 | 0 | 112.7 | A104 A107 F108 R111 R179 I180 T185 E186 F206 | A104-W183 HydrophobicContact CB-CZ3 4.13Å; A107-W183 HydrophobicContact CB-CE3 3.91Å; A107-W183 HydrophobicContact CB-CZ3 4.48Å; F108-W183 HydrophobicContact CB-CE3 4.45Å; F108-W183 HydrophobicContact CD2-CD2 4.3Å; F108-W183 AromaticContact CD2-CE2 3.9Å; F108-W183 HydrophobicContact CD2-CZ2 4.11Å; F108-W183 AromaticContact CD2-NE1 3.98Å; R111-W183 HydrophobicContact CB-CB 4.15Å; R179-W183 PolarHBondContact O-N 3.27Å; I180-W183 HydrophobicContact CG2-CZ2 4.31Å; W183-T185 PolarHBondContact O-N 3.39Å; W183-E186 PolarHBondContact O-N 3.32Å; W183-F206 AromaticContact CH2-CE1 3.67Å; W183-F206 HydrophobicContact CH2-CE1 3.67Å; W183-F206 AromaticContact CH2-CZ 3.71Å; W183-F206 HydrophobicContact CH2-CZ 3.71Å; W183-F206 HydrophobicContact CZ2-CE1 4.16Å; W183-F206 HydrophobicContact CZ2-CZ 4.35Å |
| 184 | T | 94.7 | Very high | 92.6 | Very high | 0 Ų | 0 | 50.4 Ų | 50.4 | 0% | 0 | 24% | 0.243 | C | C | . | . | G | 310 helix | trans | -72.1 | -7.8 | 176.6 | 56.3 | 0 | 0 | 0 | 0 | 113.5 | I180 G181 N182 E186 L187 F206 R214 | I180-T184 HydrophobicContact CG2-CG2 4.03Å; I180-T184 WeakPolarHBondContact O-CB 3.23Å; I180-T184 WeakPolarHBondContact O-CG2 3.49Å; I180-T184 PolarHBondContact O-N 3.44Å; I180-T184 VanDerWaalsContact O-N 3.08Å; I180-T184 PolarHBondContact O-OG1 3.23Å; G181-T184 PolarHBondContact O-OG1 3.35Å; N182-T184 VanDerWaalsContact C-N 3.31Å; N182-T184 PolarHBondContact O-N 2.88Å; T184-E186 PolarHBondContact O-N 3.18Å; T184-L187 HydrophobicContact CG2-CD1 4.35Å; T184-L187 VanDerWaalsContact O-CB 3.3Å; T184-L187 WeakPolarHBondContact O-CB 3.33Å; T184-L187 WeakPolarHBondContact O-CG 3.41Å; T184-L187 PolarHBondContact O-N 3.4Å; T184-L187 VanDerWaalsContact O-N 3.09Å; T184-F206 HydrophobicContact CG2-CD1 4.04Å; T184-F206 HydrophobicContact CG2-CE1 3.95Å; T184-R214 VanDerWaalsContact C-CZ 3.44Å; T184-R214 PolarHBondContact O-NE 2.78Å; T184-R214 PolarHBondContact O-NH1 3.46Å; T184-R214 PolarHBondContact OG1-NE 2.9Å; T184-R214 VanDerWaalsContact OG1-NE 3.1Å; T184-R214 PolarHBondContact OG1-NH2 3.45Å |
| 185 | T | 92.2 | Very high | 92.7 | Very high | 59 Ų | 59 | 50.3 Ų | 50.3 | 36% | 0.362 | 24% | 0.244 | S | C | . | . | G | 310 helix | trans | -60.9 | -28.1 | 173.5 | 57.9 | 0 | 0 | 0 | 0 | 112.9 | G181 N182 W183 L187 D188 | G181-T185 WeakPolarHBondContact O-CG2 3.13Å; G181-T185 PolarHBondContact O-N 3.36Å; N182-T185 WeakPolarHBondContact O-CB 3.33Å; N182-T185 WeakPolarHBondContact O-CG2 3.36Å; N182-T185 PolarHBondContact O-N 3.47Å; N182-T185 PolarHBondContact O-OG1 3.33Å; W183-T185 PolarHBondContact O-N 3.39Å; T185-L187 PolarHBondContact O-N 3.22Å; T185-D188 WeakPolarHBondContact O-CB 3.41Å; T185-D188 PolarHBondContact O-N 3.09Å; T185-D188 VanDerWaalsContact O-N 3.11Å |
| 186 | E | 92 | Very high | 92.8 | Very high | 87 Ų | 87 | 52.6 Ų | 52.6 | 41% | 0.407 | 25% | 0.252 | S | S | . | . | G | 310 helix | trans | -63.6 | -22.3 | 176.2 | -69 | -58.7 | 137.2 | 0 | 0 | 112.9 | A107 W183 T184 D188 K189 | A107-E186 HydrophobicContact CB-CB 3.88Å; A107-E186 HydrophobicContact CB-CG 4.28Å; W183-E186 PolarHBondContact O-N 3.32Å; T184-E186 PolarHBondContact O-N 3.18Å; E186-D188 VanDerWaalsContact C-N 3.25Å; E186-D188 PolarHBondContact O-N 2.52Å; E186-K189 IonicContact OE1-NZ 3.67Å; E186-K189 PolarHBondContact OE1-NZ 2.69Å; E186-K189 IonicContact OE2-NZ 2.75Å; E186-K189 PolarHBondContact OE2-NZ 3.13Å |
| 187 | L | 96.4 | Very high | 92.8 | Very high | 0 Ų | 0 | 51 Ų | 51 | 0% | 0 | 25% | 0.254 | C | S | . | . | H | α-helix | trans | -68.1 | -24.1 | 176.2 | -58.1 | -176.8 | 0 | 0 | 0 | 112.7 | A103 A104 T184 T185 K189 V190 F191 F206 | A103-L187 HydrophobicContact CB-CD2 3.86Å; A104-L187 HydrophobicContact CB-CD1 4.5Å; A104-L187 HydrophobicContact CB-CD2 3.92Å; T184-L187 HydrophobicContact CG2-CD1 4.35Å; T184-L187 VanDerWaalsContact O-CB 3.3Å; T184-L187 WeakPolarHBondContact O-CB 3.33Å; T184-L187 WeakPolarHBondContact O-CG 3.41Å; T184-L187 PolarHBondContact O-N 3.4Å; T184-L187 VanDerWaalsContact O-N 3.09Å; T185-L187 PolarHBondContact O-N 3.22Å; L187-K189 PolarHBondContact O-N 2.78Å; L187-V190 PolarHBondContact O-N 2.71Å; L187-F191 HydrophobicContact CB-CD2 4.33Å; L187-F191 HydrophobicContact CB-CE1 4.36Å; L187-F191 HydrophobicContact CB-CE2 3.91Å; L187-F191 HydrophobicContact CB-CZ 3.94Å; L187-F191 HydrophobicContact CD1-CZ 4.27Å; L187-F191 VanDerWaalsContact O-CG 3.26Å; L187-F191 WeakPolarHBondContact O-CG 3.41Å; L187-F191 PolarHBondContact O-N 3.23Å; L187-F206 HydrophobicContact CD1-CB 3.8Å; L187-F206 HydrophobicContact CD1-CD1 4.09Å; L187-F206 HydrophobicContact CD1-CG 3.94Å |
| 188 | D | 95 | Very high | 92.7 | Very high | 28 Ų | 28 | 51.4 Ų | 51.4 | 15% | 0.15 | 26% | 0.257 | C | S | . | . | H | α-helix | trans | -62.5 | -32.5 | -177.4 | -65.9 | -17.6 | 0 | 0 | 0 | 112.1 | S162 T185 E186 K192 R214 | S162-D188 WeakPolarHBondContact CB-OD1 3.14Å; S162-D188 PolarHBondContact OG-OD1 3.36Å; T185-D188 WeakPolarHBondContact O-CB 3.41Å; T185-D188 PolarHBondContact O-N 3.09Å; T185-D188 VanDerWaalsContact O-N 3.11Å; E186-D188 VanDerWaalsContact C-N 3.25Å; E186-D188 PolarHBondContact O-N 2.52Å; D188-K192 WeakPolarHBondContact O-CG 3.42Å; D188-K192 PolarHBondContact O-N 3.22Å; D188-K192 VanDerWaalsContact O-N 3.13Å; D188-R214 VanDerWaalsContact CG-NH1 3.26Å; D188-R214 IonicContact OD1-CZ 2.75Å; D188-R214 IonicContact OD1-NH1 3.71Å; D188-R214 PolarHBondContact OD1-NH1 2.77Å; D188-R214 IonicContact OD2-NH1 2.72Å; D188-R214 PolarHBondContact OD2-NH1 2.84Å; D188-R214 VanDerWaalsContact OD2-NH1 3.07Å |
| 189 | K | 95.6 | Very high | 92.3 | Very high | 125 Ų | 125 | 53.1 Ų | 53.1 | 54% | 0.543 | 27% | 0.274 | S | S | . | . | H | α-helix | trans | -65.3 | -46.4 | 175 | -64.3 | 171.9 | -171.8 | 157.5 | 0 | 110.4 | E186 L187 K192 L193 | E186-K189 IonicContact OE1-NZ 3.67Å; E186-K189 PolarHBondContact OE1-NZ 2.69Å; E186-K189 IonicContact OE2-NZ 2.75Å; E186-K189 PolarHBondContact OE2-NZ 3.13Å; L187-K189 PolarHBondContact O-N 2.78Å; K189-K192 PolarHBondContact O-N 3.32Å; K189-L193 VanDerWaalsContact O-CG 3.27Å; K189-L193 WeakPolarHBondContact O-CG 3.26Å; K189-L193 PolarHBondContact O-N 2.95Å |
| 190 | V | 96.8 | Very high | 92 | Very high | 27 Ų | 27 | 50.2 Ų | 50.2 | 16% | 0.164 | 27% | 0.271 | C | S | . | . | H | α-helix | trans | -69.1 | -38.2 | 179.9 | 177.6 | 0 | 0 | 0 | 0 | 111.2 | N99 I100 A103 L187 K192 L193 N194 | N99-V190 HydrophobicContact CB-CG1 3.83Å; I100-V190 HydrophobicContact CG1-CG1 4.24Å; A103-V190 HydrophobicContact CB-CB 4.32Å; A103-V190 HydrophobicContact CB-CG2 3.58Å; L187-V190 PolarHBondContact O-N 2.71Å; V190-K192 VanDerWaalsContact C-N 3.34Å; V190-K192 PolarHBondContact O-N 2.7Å; V190-L193 PolarHBondContact O-N 2.64Å; V190-N194 VanDerWaalsContact O-CB 3.29Å; V190-N194 WeakPolarHBondContact O-CB 3.49Å; V190-N194 VanDerWaalsContact O-CG 3.3Å; V190-N194 PolarHBondContact O-N 2.61Å |
| 191 | F | 97.5 | Very high | 91.7 | Very high | 0 Ų | 0 | 49.7 Ų | 49.7 | 0% | 0 | 27% | 0.269 | C | S | . | . | H | α-helix | trans | -59.8 | -45.8 | 175.6 | -66.8 | -24.9 | 0 | 0 | 0 | 112.1 | I100 L187 N194 A195 Q204 R214 Y216 | I100-F191 HydrophobicContact CD1-CD1 4.16Å; I100-F191 HydrophobicContact CD1-CE1 3.86Å; I100-F191 HydrophobicContact CG1-CD1 4.05Å; I100-F191 HydrophobicContact CG1-CE1 3.85Å; I100-F191 HydrophobicContact CG2-CE1 3.83Å; L187-F191 HydrophobicContact CB-CD2 4.33Å; L187-F191 HydrophobicContact CB-CE1 4.36Å; L187-F191 HydrophobicContact CB-CE2 3.91Å; L187-F191 HydrophobicContact CB-CZ 3.94Å; L187-F191 HydrophobicContact CD1-CZ 4.27Å; L187-F191 VanDerWaalsContact O-CG 3.26Å; L187-F191 WeakPolarHBondContact O-CG 3.41Å; L187-F191 PolarHBondContact O-N 3.23Å; F191-N194 PolarHBondContact O-N 3.12Å; F191-A195 WeakPolarHBondContact O-CB 3.43Å; F191-A195 PolarHBondContact O-N 3.47Å; F191-Q204 VanDerWaalsContact CA-OE1 3.29Å; F191-Q204 HydrophobicContact CB-CG 4.25Å; F191-Q204 HydrophobicContact CD1-CB 4.46Å; F191-Q204 HydrophobicContact CD1-CG 3.66Å; F191-Q204 HydrophobicContact CE1-CG 4.14Å; F191-Q204 HydrophobicContact CG-CG 4.04Å; F191-Q204 PolarHBondContact O-NE2 3.46Å; F191-R214 HydrophobicContact CE2-CG 4.05Å; F191-Y216 HydrophobicContact CB-CD1 3.85Å; F191-Y216 HydrophobicContact CB-CD2 4.27Å; F191-Y216 HydrophobicContact CB-CE1 4.5Å; F191-Y216 HydrophobicContact CB-CG 3.71Å; F191-Y216 HydrophobicContact CD2-CG 4.31Å; F191-Y216 HydrophobicContact CG-CG 4.32Å |
| 192 | K | 95.4 | Very high | 91.5 | Very high | 72 Ų | 72 | 50.5 Ų | 50.5 | 31% | 0.313 | 27% | 0.271 | S | S | . | . | H | α-helix | trans | -62.7 | -48.6 | 175.8 | -71.9 | 172.4 | -178.7 | 179.1 | 0 | 111.9 | N160 D188 K189 V190 N194 A195 E196 Y216 | N160-K192 WeakPolarHBondContact O-CE 3.15Å; N160-K192 PolarHBondContact O-NZ 3.08Å; D188-K192 WeakPolarHBondContact O-CG 3.42Å; D188-K192 PolarHBondContact O-N 3.22Å; D188-K192 VanDerWaalsContact O-N 3.13Å; K189-K192 PolarHBondContact O-N 3.32Å; V190-K192 VanDerWaalsContact C-N 3.34Å; V190-K192 PolarHBondContact O-N 2.7Å; K192-N194 VanDerWaalsContact C-N 3.31Å; K192-N194 PolarHBondContact O-N 3.24Å; K192-A195 PolarHBondContact O-N 3.43Å; K192-E196 WeakPolarHBondContact O-CG 3.32Å; K192-E196 PolarHBondContact O-N 3.02Å; K192-Y216 HydrophobicContact CG-CE2 4.04Å |
| 193 | L | 95.6 | Very high | 91.6 | Very high | 105 Ų | 105 | 47 Ų | 47 | 55% | 0.55 | 25% | 0.253 | S | S | . | . | H | α-helix | trans | -59.6 | -41.1 | 177.8 | -71.3 | 170.9 | 0 | 0 | 0 | 112.4 | K189 V190 E196 S197 | K189-L193 VanDerWaalsContact O-CG 3.27Å; K189-L193 WeakPolarHBondContact O-CG 3.26Å; K189-L193 PolarHBondContact O-N 2.95Å; V190-L193 PolarHBondContact O-N 2.64Å; L193-E196 PolarHBondContact O-N 3.34Å; L193-S197 VanDerWaalsContact O-CB 3.31Å; L193-S197 WeakPolarHBondContact O-CB 3.34Å; L193-S197 PolarHBondContact O-N 3.03Å; L193-S197 PolarHBondContact O-OG 3.23Å |
| 194 | N | 95.5 | Very high | 91.8 | Very high | 2 Ų | 2 | 46.1 Ų | 46.1 | 1% | 0.011 | 25% | 0.249 | C | C | . | . | H | α-helix | trans | -62.3 | -46.5 | 176.1 | -80.9 | -7.2 | 0 | 0 | 0 | 111.2 | L96 N99 I100 V190 F191 K192 E196 S197 D198 L201 Q204 | L96-N194 HydrophobicContact CD2-CB 4Å; L96-N194 PolarHBondContact O-ND2 3.12Å; L96-N194 VanDerWaalsContact O-ND2 3.12Å; N99-N194 PolarHBondContact ND2-OD1 2.54Å; I100-N194 WeakPolarHBondContact CG1-ND2 3.17Å; V190-N194 VanDerWaalsContact O-CB 3.29Å; V190-N194 WeakPolarHBondContact O-CB 3.49Å; V190-N194 VanDerWaalsContact O-CG 3.3Å; V190-N194 PolarHBondContact O-N 2.61Å; F191-N194 PolarHBondContact O-N 3.12Å; K192-N194 VanDerWaalsContact C-N 3.31Å; K192-N194 PolarHBondContact O-N 3.24Å; N194-E196 VanDerWaalsContact C-N 3.31Å; N194-E196 PolarHBondContact O-N 2.94Å; N194-S197 WeakPolarHBondContact CA-OG 3.36Å; N194-S197 PolarHBondContact O-N 3.21Å; N194-S197 VanDerWaalsContact O-N 3.16Å; N194-S197 PolarHBondContact O-OG 3.06Å; N194-D198 PolarHBondContact O-N 2.71Å; N194-L201 HydrophobicContact CB-CD2 4.19Å; N194-Q204 PolarHBondContact ND2-OE1 3.16Å |
| 195 | A | 90.9 | Very high | 91.9 | Very high | 28 Ų | 28 | 46.1 Ų | 46.1 | 23% | 0.231 | 25% | 0.249 | C | C | . | . | H | α-helix | trans | -67.1 | -30.1 | 178.5 | 0 | 0 | 0 | 0 | 0 | 113.1 | F191 K192 D198 Y216 | F191-A195 WeakPolarHBondContact O-CB 3.43Å; F191-A195 PolarHBondContact O-N 3.47Å; K192-A195 PolarHBondContact O-N 3.43Å; A195-D198 CarbonylContact O-C 3.52Å; A195-Y216 HydrophobicContact CB-CE1 3.85Å |
| 196 | E | 89.4 | Confident | 92.2 | Very high | 144 Ų | 144 | 43.3 Ų | 43.3 | 67% | 0.673 | 23% | 0.232 | S | C | * | . | H | α-helix | trans | -72.1 | -37.4 | 170.9 | -72.2 | 170.9 | -169 | 0 | 0 | 111.8 | K192 L193 N194 | K192-E196 WeakPolarHBondContact O-CG 3.32Å; K192-E196 PolarHBondContact O-N 3.02Å; L193-E196 PolarHBondContact O-N 3.34Å; N194-E196 VanDerWaalsContact C-N 3.31Å; N194-E196 PolarHBondContact O-N 2.94Å |
| 197 | S | 88.5 | Confident | 92.5 | Very high | 80 Ų | 80 | 39.1 Ų | 39.1 | 56% | 0.559 | 21% | 0.213 | S | C | * | . | H | α-helix | trans | -73.4 | -35.1 | -179 | 74.2 | 0 | 0 | 0 | 0 | 113.4 | L96 L193 N194 | L96-S197 WeakPolarHBondContact CD2-OG 3.24Å; L193-S197 VanDerWaalsContact O-CB 3.31Å; L193-S197 WeakPolarHBondContact O-CB 3.34Å; L193-S197 PolarHBondContact O-N 3.03Å; L193-S197 PolarHBondContact O-OG 3.23Å; N194-S197 WeakPolarHBondContact CA-OG 3.36Å; N194-S197 PolarHBondContact O-N 3.21Å; N194-S197 VanDerWaalsContact O-N 3.16Å; N194-S197 PolarHBondContact O-OG 3.06Å |
| 198 | D | 87.6 | Confident | 92.5 | Very high | 13 Ų | 13 | 39.2 Ų | 39.2 | 7% | 0.07 | 21% | 0.213 | C | C | . | . | trans | -130.3 | 92.2 | -179.8 | 179.8 | -2.2 | 0 | 0 | 0 | 109.5 | K93 L96 N194 A195 T200 L201 | K93-D198 WeakPolarHBondContact CD-OD2 3.48Å; K93-D198 VanDerWaalsContact CE-OD2 3.26Å; K93-D198 WeakPolarHBondContact CE-OD2 3.44Å; K93-D198 IonicContact NZ-OD1 3.6Å; K93-D198 PolarHBondContact NZ-OD1 3.08Å; K93-D198 IonicContact NZ-OD2 3.3Å; K93-D198 PolarHBondContact NZ-OD2 2.99Å; L96-D198 HydrophobicContact CD1-CB 3.84Å; L96-D198 WeakPolarHBondContact CD1-OD2 3.39Å; L96-D198 HydrophobicContact CD2-CB 4.48Å; N194-D198 PolarHBondContact O-N 2.71Å; A195-D198 CarbonylContact O-C 3.52Å; D198-T200 PolarHBondContact O-N 3.37Å; D198-T200 VanDerWaalsContact O-N 3.11Å; D198-T200 WeakPolarHBondContact OD1-CA 3.33Å; D198-T200 WeakPolarHBondContact OD1-CB 3.35Å; D198-T200 PolarHBondContact OD1-N 3.34Å; D198-T200 PolarHBondContact OD1-OG1 2.84Å; D198-L201 HydrophobicContact CB-CB 4.44Å; D198-L201 WeakPolarHBondContact O-CB 3.44Å; D198-L201 PolarHBondContact O-N 3.15Å; D198-L201 VanDerWaalsContact O-N 3.08Å; D198-L201 PolarHBondContact OD1-N 3.44Å | ||
| 199 | P | 80.8 | Confident | 92.4 | Very high | 93 Ų | 93 | 39.2 Ų | 39.2 | 60% | 0.604 | 22% | 0.215 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -62.3 | -16.7 | 178.7 | -24.2 | 34.9 | 0 | 0 | 0 | 114 | H151 L201 | H151-P199 PolarHBondContact CE1-O 3.18Å; H151-P199 PolarHBondContact NE2-O 3.05Å; P199-L201 VanDerWaalsContact C-N 3.3Å |
| 200 | T | 81.7 | Confident | 92.3 | Very high | 75 Ų | 75 | 33.8 Ų | 33.8 | 46% | 0.46 | 19% | 0.193 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -82.6 | -10.2 | 178.6 | 74.9 | 0 | 0 | 0 | 0 | 112.5 | K93 D198 K202 | K93-T200 PolarHBondContact NZ-OG1 3.32Å; D198-T200 PolarHBondContact O-N 3.37Å; D198-T200 VanDerWaalsContact O-N 3.11Å; D198-T200 WeakPolarHBondContact OD1-CA 3.33Å; D198-T200 WeakPolarHBondContact OD1-CB 3.35Å; D198-T200 PolarHBondContact OD1-N 3.34Å; D198-T200 PolarHBondContact OD1-OG1 2.84Å; T200-K202 PolarHBondContact O-N 3.49Å |
| 201 | L | 86.8 | Confident | 92.1 | Very high | 8 Ų | 8 | 32.5 Ų | 32.5 | 4% | 0.042 | 19% | 0.185 | C | C | . | . | trans | -63.4 | 125.2 | 176.6 | -177.3 | 66.5 | 0 | 0 | 0 | 110.4 | L96 H151 N194 D198 P199 Q204 V536 | L96-L201 HydrophobicContact CD1-CD1 4.08Å; L96-L201 HydrophobicContact CD1-CD2 4.07Å; L96-L201 HydrophobicContact CD1-CG 4.46Å; H151-L201 PolarHBondContact NE2-O 3.12Å; N194-L201 HydrophobicContact CB-CD2 4.19Å; D198-L201 HydrophobicContact CB-CB 4.44Å; D198-L201 WeakPolarHBondContact O-CB 3.44Å; D198-L201 PolarHBondContact O-N 3.15Å; D198-L201 VanDerWaalsContact O-N 3.08Å; D198-L201 PolarHBondContact OD1-N 3.44Å; P199-L201 VanDerWaalsContact C-N 3.3Å; L201-Q204 HydrophobicContact CD2-CB 4.28Å; L201-Q204 HydrophobicContact CD2-CG 4.35Å; L201-Q204 VanDerWaalsContact CD2-NE2 3.33Å; L201-V536 HydrophobicContact CD1-CB 3.87Å; L201-V536 HydrophobicContact CD1-CG1 3.96Å | ||
| 202 | K | 87 | Confident | 92 | Very high | 19 Ų | 19 | 32.5 Ų | 32.5 | 8% | 0.083 | 19% | 0.185 | C | C | . | . | trans | -93.1 | -58.9 | 174.9 | -67 | -158.5 | -176.9 | 179 | 0 | 112.1 | H152 D153 T200 P217 Y508 P539 | H152-K202 PolarHBondContact CD2-O 2.85Å; H152-K202 VanDerWaalsContact CD2-O 3.29Å; H152-K202 PolarHBondContact NE2-O 3.42Å; D153-K202 IonicContact OD1-NZ 2.69Å; D153-K202 PolarHBondContact OD1-NZ 3.44Å; D153-K202 IonicContact OD2-NZ 3.27Å; D153-K202 PolarHBondContact OD2-NZ 3.48Å; T200-K202 PolarHBondContact O-N 3.49Å; K202-P217 WeakPolarHBondContact O-CD 3.5Å; K202-Y508 HydrophobicContact CD-CE1 4.1Å; K202-Y508 PolarHBondContact NZ-OH 3Å; K202-Y508 VanDerWaalsContact NZ-OH 3.16Å; K202-P539 HydrophobicContact CD-CG 3.85Å; K202-P539 HydrophobicContact CG-CG 4.19Å | ||
| 203 | W | 92.4 | Very high | 92.1 | Very high | 1 Ų | 1 | 29 Ų | 29 | 0% | 0.004 | 17% | 0.17 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.4 | 140.3 | -175.6 | -57.3 | 99.5 | 0 | 0 | 0 | 110.9 | H152 V157 Y215 P217 A219 F454 L456 V536 D537 | H152-W203 HydrophobicContact CB-CZ2 4.32Å; H152-W203 AromaticContact CD2-CZ2 3.88Å; V157-W203 HydrophobicContact CG1-CH2 3.78Å; V157-W203 HydrophobicContact CG1-CZ2 4.48Å; W203-Y215 HydrophobicContact CE3-CD2 4.25Å; W203-Y215 HydrophobicContact CZ3-CD2 4.11Å; W203-Y215 HydrophobicContact CZ3-CE2 4.27Å; W203-P217 HydrophobicContact CZ3-CG 4.24Å; W203-P217 WeakPolarHBondContact CZ3-O 3.35Å; W203-A219 HydrophobicContact CH2-CB 4.26Å; W203-A219 HydrophobicContact CZ3-CB 4.44Å; W203-F454 HydrophobicContact CB-CD2 4.46Å; W203-F454 HydrophobicContact CB-CE2 3.54Å; W203-F454 HydrophobicContact CB-CZ 3.83Å; W203-F454 HydrophobicContact CD2-CD2 4.09Å; W203-F454 AromaticContact CD2-CE2 3.95Å; W203-F454 HydrophobicContact CD2-CE2 3.95Å; W203-F454 HydrophobicContact CD2-CZ 4.32Å; W203-F454 HydrophobicContact CE3-CE1 4.43Å; W203-F454 HydrophobicContact CE3-CE2 4.38Å; W203-F454 HydrophobicContact CE3-CZ 4.33Å; W203-F454 AromaticContact CG-CD2 4Å; W203-F454 HydrophobicContact CG-CD2 4Å; W203-F454 AromaticContact CG-CE2 3.54Å; W203-F454 HydrophobicContact CG-CE2 3.54Å; W203-F454 HydrophobicContact CG-CZ 4.11Å; W203-L456 HydrophobicContact CH2-CD1 3.39Å; W203-L456 HydrophobicContact CZ2-CD1 3.78Å; W203-L456 HydrophobicContact CZ3-CD1 4.15Å; W203-V536 WeakPolarHBondContact O-CA 3.4Å; W203-D537 HydrophobicContact CB-CB 4.32Å; W203-D537 PolarHBondContact O-N 3.17Å; W203-D537 VanDerWaalsContact O-N 3.1Å |
| 204 | Q | 96.1 | Very high | 92.2 | Very high | 2 Ų | 2 | 24.3 Ų | 24.3 | 1% | 0.009 | 15% | 0.145 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -138.4 | 146.5 | 171.5 | 63.5 | -171.1 | -54.4 | 0 | 0 | 109.9 | I100 F191 N194 L201 Y215 Y216 V536 | I100-Q204 HydrophobicContact CD1-CB 4.05Å; F191-Q204 VanDerWaalsContact CA-OE1 3.29Å; F191-Q204 HydrophobicContact CB-CG 4.25Å; F191-Q204 HydrophobicContact CD1-CB 4.46Å; F191-Q204 HydrophobicContact CD1-CG 3.66Å; F191-Q204 HydrophobicContact CE1-CG 4.14Å; F191-Q204 HydrophobicContact CG-CG 4.04Å; F191-Q204 PolarHBondContact O-NE2 3.46Å; N194-Q204 PolarHBondContact ND2-OE1 3.16Å; L201-Q204 HydrophobicContact CD2-CB 4.28Å; L201-Q204 HydrophobicContact CD2-CG 4.35Å; L201-Q204 VanDerWaalsContact CD2-NE2 3.33Å; Q204-Y215 WeakPolarHBondContact O-CA 3.34Å; Q204-Y216 HydrophobicContact CG-CD1 4.22Å; Q204-Y216 PolarHBondContact N-O 2.66Å; Q204-Y216 PolarHBondContact O-N 3.35Å; Q204-V536 HydrophobicContact CB-CG1 3.74Å |
| 205 | Y | 97.4 | Very high | 92.2 | Very high | 0 Ų | 0 | 24.2 Ų | 24.2 | 0% | 0 | 14% | 0.144 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -158.7 | 162.2 | -168.5 | 46.6 | -95.5 | 0 | 0 | 0 | 113.6 | F213 R214 W240 F454 S510 A534 G535 D537 | Y205-F213 HydrophobicContact CD1-CZ 4.35Å; Y205-F213 AromaticContact CD2-CE2 3.66Å; Y205-F213 HydrophobicContact CD2-CE2 3.66Å; Y205-F213 HydrophobicContact CD2-CZ 4.25Å; Y205-F213 HydrophobicContact CE2-CE2 4.49Å; Y205-F213 AromaticContact CG-CE2 3.65Å; Y205-F213 HydrophobicContact CG-CE2 3.65Å; Y205-F213 AromaticContact CG-CZ 3.89Å; Y205-F213 HydrophobicContact CG-CZ 3.89Å; Y205-R214 CarbonylContact C-O 3.48Å; Y205-R214 WeakPolarHBondContact CA-O 3.48Å; Y205-R214 VanDerWaalsContact CB-O 3.29Å; Y205-R214 WeakPolarHBondContact CB-O 3.43Å; Y205-W240 HydrophobicContact CD2-CE3 4.44Å; Y205-W240 AromaticContact CD2-CH2 3.68Å; Y205-W240 HydrophobicContact CD2-CH2 3.68Å; Y205-W240 AromaticContact CD2-CZ2 3.77Å; Y205-W240 HydrophobicContact CD2-CZ2 3.77Å; Y205-W240 HydrophobicContact CD2-CZ3 4Å; Y205-W240 AromaticContact CE2-CD2 3.64Å; Y205-W240 HydrophobicContact CE2-CD2 3.64Å; Y205-W240 AromaticContact CE2-CE2 3.52Å; Y205-W240 AromaticContact CE2-CE3 3.77Å; Y205-W240 HydrophobicContact CE2-CE3 3.77Å; Y205-W240 HydrophobicContact CE2-CG 4.3Å; Y205-W240 AromaticContact CE2-CH2 3.74Å; Y205-W240 HydrophobicContact CE2-CH2 3.74Å; Y205-W240 AromaticContact CE2-CZ2 3.59Å; Y205-W240 HydrophobicContact CE2-CZ2 3.59Å; Y205-W240 AromaticContact CE2-CZ3 3.8Å; Y205-W240 HydrophobicContact CE2-CZ3 3.8Å; Y205-F454 HydrophobicContact CD1-CE2 4.35Å; Y205-F454 AromaticContact CD1-CZ 3.65Å; Y205-F454 HydrophobicContact CD1-CZ 3.65Å; Y205-F454 HydrophobicContact CE1-CE2 4.33Å; Y205-F454 HydrophobicContact CE1-CZ 4.04Å; Y205-F454 HydrophobicContact CG-CZ 4.45Å; Y205-S510 WeakPolarHBondContact OH-CB 3.22Å; Y205-S510 PolarHBondContact OH-OG 3.35Å; Y205-A534 WeakPolarHBondContact O-CA 3.25Å; Y205-G535 PolarHBondContact N-O 2.78Å; Y205-G535 PolarHBondContact O-N 3.22Å; Y205-D537 WeakPolarHBondContact CE1-OD1 3.23Å; Y205-D537 PolarHBondContact OH-OD1 2.63Å |
| 206 | F | 98.2 | Very high | 92.5 | Very high | 0 Ų | 0 | 23.5 Ų | 23.5 | 0% | 0 | 14% | 0.135 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -133.3 | 120.7 | 170.6 | 172 | -101.8 | 0 | 0 | 0 | 108.7 | A104 W183 T184 L187 R214 V515 V533 | A104-F206 HydrophobicContact CB-CE2 4.36Å; W183-F206 AromaticContact CH2-CE1 3.67Å; W183-F206 HydrophobicContact CH2-CE1 3.67Å; W183-F206 AromaticContact CH2-CZ 3.71Å; W183-F206 HydrophobicContact CH2-CZ 3.71Å; W183-F206 HydrophobicContact CZ2-CE1 4.16Å; W183-F206 HydrophobicContact CZ2-CZ 4.35Å; T184-F206 HydrophobicContact CG2-CD1 4.04Å; T184-F206 HydrophobicContact CG2-CE1 3.95Å; L187-F206 HydrophobicContact CD1-CB 3.8Å; L187-F206 HydrophobicContact CD1-CD1 4.09Å; L187-F206 HydrophobicContact CD1-CG 3.94Å; F206-R214 PolarHBondContact N-O 3.05Å; F206-R214 PolarHBondContact O-N 2.8Å; F206-V515 HydrophobicContact CD2-CG2 4.15Å; F206-V515 HydrophobicContact CE2-CB 3.99Å; F206-V515 HydrophobicContact CE2-CG1 4.26Å; F206-V515 HydrophobicContact CE2-CG2 3.77Å; F206-V533 WeakPolarHBondContact CA-O 2.99Å |
| 207 | G | 97.4 | Very high | 92.8 | Very high | 0 Ų | 0 | 16.8 Ų | 16.8 | 0% | 0 | 10% | 0.104 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -102.5 | 125.3 | 170.8 | 0 | 0 | 0 | 0 | 0 | 110 | F212 Y241 G532 V533 | G207-F212 CarbonylContact C-O 3.58Å; G207-F212 WeakPolarHBondContact CA-O 3.35Å; G207-Y241 WeakPolarHBondContact O-CE2 3.39Å; G207-G532 CarbonylContact O-C 3.49Å; G207-G532 WeakPolarHBondContact O-CA 3.36Å; G207-V533 PolarHBondContact N-O 3.44Å; G207-V533 PolarHBondContact O-N 2.81Å |
| 208 | S | 96.7 | Very high | 93.1 | Very high | 2 Ų | 2 | 13 Ų | 13 | 1% | 0.014 | 8% | 0.078 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -82.6 | 163.3 | 175.4 | 83.1 | 0 | 0 | 0 | 0 | 112.4 | T210 G211 F212 L531 | S208-T210 PolarHBondContact O-N 3.06Å; S208-T210 PolarHBondContact OG-N 2.93Å; S208-T210 PolarHBondContact OG-OG1 3.44Å; S208-G211 PolarHBondContact O-N 3.26Å; S208-F212 PolarHBondContact N-O 3.04Å; S208-F212 WeakPolarHBondContact OG-CB 3.22Å; S208-F212 PolarHBondContact OG-N 3.38Å; S208-F212 VanDerWaalsContact OG-N 3.11Å; S208-L531 VanDerWaalsContact CA-O 3.29Å; S208-L531 WeakPolarHBondContact CA-O 3.39Å |
| 209 | S | 93.8 | Very high | 93.4 | Very high | 28 Ų | 28 | 12.3 Ų | 12.3 | 20% | 0.196 | 7% | 0.074 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -60.7 | -13.6 | 169.8 | 50.6 | 0 | 0 | 0 | 0 | 114.3 | R236 Y241 D430 L530 L531 | S209-R236 WeakPolarHBondContact O-CD 3.49Å; S209-R236 PolarHBondContact O-NH1 2.98Å; S209-Y241 VanDerWaalsContact CA-OH 3.29Å; S209-Y241 WeakPolarHBondContact CA-OH 3.29Å; S209-D430 WeakPolarHBondContact CB-OD1 3.29Å; S209-L530 PolarHBondContact OG-O 3.13Å; S209-L530 VanDerWaalsContact OG-O 3.09Å; S209-L531 PolarHBondContact N-O 2.76Å |
| 210 | T | 93 | Very high | 93.9 | Very high | 10 Ų | 10 | 8.5 Ų | 8.5 | 6% | 0.061 | 5% | 0.049 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -95.3 | 5.4 | 175.4 | 73.4 | 0 | 0 | 0 | 0 | 114 | K176 I180 S208 F212 | K176-T210 HydrophobicContact CD-CG2 4.3Å; I180-T210 HydrophobicContact CD1-CG2 3.59Å; I180-T210 WeakPolarHBondContact CD1-OG1 3.46Å; S208-T210 PolarHBondContact O-N 3.06Å; S208-T210 PolarHBondContact OG-N 2.93Å; S208-T210 PolarHBondContact OG-OG1 3.44Å; T210-F212 VanDerWaalsContact C-N 3.33Å |
| 211 | G | 92.7 | Very high | 94.3 | Very high | 0 Ų | 0 | 5.3 Ų | 5.3 | 0% | 0 | 3% | 0.028 | C | C | . | . | S | Bend | trans | 80.6 | 9.4 | -175.6 | 0 | 0 | 0 | 0 | 0 | 114.2 | P167 S208 F213 | P167-G211 WeakPolarHBondContact CD-O 3.3Å; S208-G211 PolarHBondContact O-N 3.26Å; G211-F213 PolarHBondContact O-N 1.98Å |
| 212 | F | 95.9 | Very high | 94.3 | Very high | 0 Ų | 0 | 7.4 Ų | 7.4 | 0% | 0 | 4% | 0.039 | C | C | . | . | trans | -73.9 | 109.1 | 174.4 | -175.5 | -81 | 0 | 0 | 0 | 108.7 | Y120 V164 L177 I180 G181 G207 S208 T210 R214 | Y120-F212 HydrophobicContact CD1-CE2 4.14Å; Y120-F212 HydrophobicContact CD2-CE2 4.01Å; Y120-F212 HydrophobicContact CD2-CZ 4.2Å; Y120-F212 HydrophobicContact CE1-CE2 4.07Å; Y120-F212 AromaticContact CE2-CE2 3.89Å; Y120-F212 HydrophobicContact CE2-CE2 3.89Å; Y120-F212 HydrophobicContact CE2-CZ 4.48Å; Y120-F212 HydrophobicContact CG-CE2 4.11Å; Y120-F212 HydrophobicContact CG-CZ 4.27Å; Y120-F212 AromaticContact CZ-CE2 3.93Å; V164-F212 HydrophobicContact CB-CE1 4.3Å; V164-F212 HydrophobicContact CB-CE2 4.33Å; V164-F212 HydrophobicContact CB-CZ 3.99Å; V164-F212 HydrophobicContact CG1-CD1 3.84Å; V164-F212 HydrophobicContact CG1-CD2 3.66Å; V164-F212 HydrophobicContact CG1-CE1 3.65Å; V164-F212 HydrophobicContact CG1-CE2 3.48Å; V164-F212 VanDerWaalsContact CG1-CE2 3.48Å; V164-F212 HydrophobicContact CG1-CG 3.84Å; V164-F212 HydrophobicContact CG1-CZ 3.45Å; V164-F212 VanDerWaalsContact CG1-CZ 3.45Å; V164-F212 HydrophobicContact CG2-CE1 3.62Å; V164-F212 HydrophobicContact CG2-CE2 4.14Å; V164-F212 HydrophobicContact CG2-CZ 3.35Å; L177-F212 HydrophobicContact CD1-CB 3.88Å; L177-F212 HydrophobicContact CD1-CD2 3.71Å; L177-F212 HydrophobicContact CD1-CG 4.3Å; I180-F212 HydrophobicContact CB-CD2 4.35Å; I180-F212 HydrophobicContact CB-CG 4.43Å; I180-F212 HydrophobicContact CG2-CB 3.96Å; I180-F212 HydrophobicContact CG2-CD1 3.68Å; I180-F212 HydrophobicContact CG2-CD2 4.02Å; I180-F212 HydrophobicContact CG2-CE1 4.1Å; I180-F212 HydrophobicContact CG2-CE2 4.39Å; I180-F212 HydrophobicContact CG2-CG 3.65Å; I180-F212 HydrophobicContact CG2-CZ 4.44Å; G181-F212 VanDerWaalsContact CA-CZ 3.41Å; G207-F212 CarbonylContact C-O 3.58Å; G207-F212 WeakPolarHBondContact CA-O 3.35Å; S208-F212 PolarHBondContact N-O 3.04Å; S208-F212 WeakPolarHBondContact OG-CB 3.22Å; S208-F212 PolarHBondContact OG-N 3.38Å; S208-F212 VanDerWaalsContact OG-N 3.11Å; T210-F212 VanDerWaalsContact C-N 3.33Å; F212-R214 HydrophobicContact CD1-CB 4.45Å; F212-R214 HydrophobicContact CE1-CB 4Å | ||
| 213 | F | 96.8 | Very high | 93.9 | Very high | 0 Ų | 0 | 7.8 Ų | 7.8 | 0% | 0 | 4% | 0.042 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.1 | 99.4 | -175.3 | -178.9 | -121.6 | 0 | 0 | 0 | 111.1 | V164 H165 Y205 G211 Y215 W221 F233 C235 W240 F454 | V164-F213 CarbonylContact C-O 3.56Å; V164-F213 VanDerWaalsContact CA-O 3.27Å; V164-F213 WeakPolarHBondContact CA-O 3.36Å; H165-F213 HydrophobicContact CB-CB 4.28Å; H165-F213 HydrophobicContact CB-CD1 4.05Å; H165-F213 PolarHBondContact N-O 2.94Å; H165-F213 PolarHBondContact O-N 2.75Å; Y205-F213 HydrophobicContact CD1-CZ 4.35Å; Y205-F213 AromaticContact CD2-CE2 3.66Å; Y205-F213 HydrophobicContact CD2-CE2 3.66Å; Y205-F213 HydrophobicContact CD2-CZ 4.25Å; Y205-F213 HydrophobicContact CE2-CE2 4.49Å; Y205-F213 AromaticContact CG-CE2 3.65Å; Y205-F213 HydrophobicContact CG-CE2 3.65Å; Y205-F213 AromaticContact CG-CZ 3.89Å; Y205-F213 HydrophobicContact CG-CZ 3.89Å; G211-F213 PolarHBondContact O-N 1.98Å; F213-Y215 AromaticContact CD1-CD1 3.85Å; F213-Y215 HydrophobicContact CD1-CD1 3.85Å; F213-Y215 HydrophobicContact CD1-CE1 4.45Å; F213-Y215 AromaticContact CE1-CD1 3.72Å; F213-Y215 HydrophobicContact CE1-CD1 3.72Å; F213-Y215 HydrophobicContact CE1-CE1 4.44Å; F213-Y215 HydrophobicContact CE1-CG 4.29Å; F213-W221 HydrophobicContact CE1-CZ3 4.49Å; F213-F233 AromaticContact CD1-CE1 3.78Å; F213-F233 HydrophobicContact CD1-CE1 3.78Å; F213-F233 HydrophobicContact CD1-CZ 4.36Å; F213-F233 AromaticContact CE1-CE1 3.99Å; F213-F233 HydrophobicContact CE1-CE1 3.99Å; F213-F233 HydrophobicContact CE1-CZ 4.13Å; F213-F233 HydrophobicContact CG-CE1 4.33Å; F213-F233 HydrophobicContact CZ-CZ 4.5Å; F213-C235 HydrophobicContact CB-CB 3.99Å; F213-C235 HydrophobicContact CD2-CB 3.64Å; F213-C235 HydrophobicContact CE2-CB 4.32Å; F213-C235 HydrophobicContact CG-CB 3.93Å; F213-W240 HydrophobicContact CD2-CH2 4.38Å; F213-W240 HydrophobicContact CD2-CZ2 4.22Å; F213-W240 HydrophobicContact CE2-CH2 4.12Å; F213-W240 AromaticContact CE2-CZ2 3.73Å; F213-W240 HydrophobicContact CE2-CZ2 3.73Å; F213-F454 HydrophobicContact CE1-CD1 4.02Å; F213-F454 AromaticContact CE1-CE1 3.47Å; F213-F454 HydrophobicContact CE1-CE1 3.47Å; F213-F454 VanDerWaalsContact CE1-CE1 3.47Å; F213-F454 HydrophobicContact CE1-CZ 4.26Å; F213-F454 HydrophobicContact CZ-CD1 4.42Å; F213-F454 AromaticContact CZ-CE1 3.52Å; F213-F454 HydrophobicContact CZ-CE1 3.52Å; F213-F454 AromaticContact CZ-CZ 3.85Å; F213-F454 HydrophobicContact CZ-CZ 3.85Å |
| 214 | R | 97.4 | Very high | 92.8 | Very high | 5 Ų | 5 | 12.7 Ų | 12.7 | 2% | 0.019 | 7% | 0.065 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -93.5 | 129.2 | 176.6 | -175.2 | -174.9 | -79.9 | -115.2 | 0.7 | 109.8 | S162 V163 V164 G181 T184 D188 F191 Y205 F206 F212 | S162-R214 WeakPolarHBondContact OG-CD 3.17Å; S162-R214 PolarHBondContact OG-NH1 3.48Å; V163-R214 WeakPolarHBondContact O-CA 3.24Å; V164-R214 HydrophobicContact CG2-CB 4.14Å; V164-R214 HydrophobicContact CG2-CG 4.17Å; G181-R214 PolarHBondContact O-NH2 2.9Å; T184-R214 VanDerWaalsContact C-CZ 3.44Å; T184-R214 PolarHBondContact O-NE 2.78Å; T184-R214 PolarHBondContact O-NH1 3.46Å; T184-R214 PolarHBondContact OG1-NE 2.9Å; T184-R214 VanDerWaalsContact OG1-NE 3.1Å; T184-R214 PolarHBondContact OG1-NH2 3.45Å; D188-R214 VanDerWaalsContact CG-NH1 3.26Å; D188-R214 IonicContact OD1-CZ 2.75Å; D188-R214 IonicContact OD1-NH1 3.71Å; D188-R214 PolarHBondContact OD1-NH1 2.77Å; D188-R214 IonicContact OD2-NH1 2.72Å; D188-R214 PolarHBondContact OD2-NH1 2.84Å; D188-R214 VanDerWaalsContact OD2-NH1 3.07Å; F191-R214 HydrophobicContact CE2-CG 4.05Å; Y205-R214 CarbonylContact C-O 3.48Å; Y205-R214 WeakPolarHBondContact CA-O 3.48Å; Y205-R214 VanDerWaalsContact CB-O 3.29Å; Y205-R214 WeakPolarHBondContact CB-O 3.43Å; F206-R214 PolarHBondContact N-O 3.05Å; F206-R214 PolarHBondContact O-N 2.8Å; F212-R214 HydrophobicContact CD1-CB 4.45Å; F212-R214 HydrophobicContact CE1-CB 4Å |
| 215 | Y | 96.5 | Very high | 91.4 | Very high | 0 Ų | 0 | 15.1 Ų | 15.1 | 0% | 0 | 8% | 0.078 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -137.3 | 154.5 | 178.1 | 65.6 | -91.7 | 0 | 0 | 0 | 113.1 | A123 S162 V163 H165 W203 Q204 F213 A219 W221 F454 L456 | A123-Y215 HydrophobicContact CB-CE1 4.2Å; S162-Y215 WeakPolarHBondContact CA-O 3.35Å; S162-Y215 VanDerWaalsContact CB-O 3.27Å; S162-Y215 WeakPolarHBondContact CB-O 3.33Å; V163-Y215 HydrophobicContact CG2-CD1 4.19Å; V163-Y215 HydrophobicContact CG2-CD2 4.06Å; V163-Y215 HydrophobicContact CG2-CE1 3.6Å; V163-Y215 HydrophobicContact CG2-CE2 3.44Å; V163-Y215 VanDerWaalsContact CG2-CE2 3.44Å; V163-Y215 HydrophobicContact CG2-CG 4.41Å; V163-Y215 WeakPolarHBondContact CG2-OH 3.45Å; V163-Y215 PolarHBondContact N-O 3.35Å; V163-Y215 VanDerWaalsContact N-O 3.09Å; V163-Y215 PolarHBondContact O-N 2.83Å; H165-Y215 HydrophobicContact CB-CE1 4.39Å; W203-Y215 HydrophobicContact CE3-CD2 4.25Å; W203-Y215 HydrophobicContact CZ3-CD2 4.11Å; W203-Y215 HydrophobicContact CZ3-CE2 4.27Å; Q204-Y215 WeakPolarHBondContact O-CA 3.34Å; F213-Y215 AromaticContact CD1-CD1 3.85Å; F213-Y215 HydrophobicContact CD1-CD1 3.85Å; F213-Y215 HydrophobicContact CD1-CE1 4.45Å; F213-Y215 AromaticContact CE1-CD1 3.72Å; F213-Y215 HydrophobicContact CE1-CD1 3.72Å; F213-Y215 HydrophobicContact CE1-CE1 4.44Å; F213-Y215 HydrophobicContact CE1-CG 4.29Å; Y215-A219 HydrophobicContact CE2-CB 4.07Å; Y215-A219 PolarHBondContact OH-O 2.92Å; Y215-W221 HydrophobicContact CE1-CE3 4.11Å; Y215-W221 HydrophobicContact CE1-CZ3 4.26Å; Y215-F454 HydrophobicContact CD1-CD1 4.36Å; Y215-F454 HydrophobicContact CD1-CE1 4.01Å; Y215-F454 HydrophobicContact CD2-CD1 4.09Å; Y215-F454 AromaticContact CD2-CE1 3.82Å; Y215-F454 HydrophobicContact CD2-CE1 3.82Å; Y215-F454 HydrophobicContact CE2-CD1 4.29Å; Y215-F454 HydrophobicContact CE2-CE1 4.46Å; Y215-F454 HydrophobicContact CG-CD1 4.12Å; Y215-F454 AromaticContact CG-CE1 3.55Å; Y215-F454 HydrophobicContact CG-CE1 3.55Å; Y215-L456 HydrophobicContact CE2-CD2 4.36Å |
| 216 | Y | 96.5 | Very high | 89.5 | Confident | 13 Ų | 13 | 19.6 Ų | 19.6 | 5% | 0.051 | 10% | 0.102 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -138.6 | 142.5 | -179 | 176.3 | -86.2 | 0 | 0 | 0 | 110.9 | Y159 F191 K192 A195 Q204 | Y159-Y216 WeakPolarHBondContact O-CE2 3.32Å; Y159-Y216 PolarHBondContact O-OH 2.82Å; F191-Y216 HydrophobicContact CB-CD1 3.85Å; F191-Y216 HydrophobicContact CB-CD2 4.27Å; F191-Y216 HydrophobicContact CB-CE1 4.5Å; F191-Y216 HydrophobicContact CB-CG 3.71Å; F191-Y216 HydrophobicContact CD2-CG 4.31Å; F191-Y216 HydrophobicContact CG-CG 4.32Å; K192-Y216 HydrophobicContact CG-CE2 4.04Å; A195-Y216 HydrophobicContact CB-CE1 3.85Å; Q204-Y216 HydrophobicContact CG-CD1 4.22Å; Q204-Y216 PolarHBondContact N-O 2.66Å; Q204-Y216 PolarHBondContact O-N 3.35Å |
| 217 | P | 95.3 | Very high | 87.5 | Confident | 3 Ų | 3 | 25.3 Ų | 25.3 | 2% | 0.019 | 13% | 0.128 | C | C | . | . | S | Bend | cis | -66.6 | 159.1 | -3.3 | 29.3 | -35.5 | 0 | 0 | 0 | 112.9 | H152 V157 C158 Y159 K202 W203 | H152-P217 WeakPolarHBondContact NE2-CG 3.35Å; V157-P217 HydrophobicContact CB-CB 4.16Å; V157-P217 HydrophobicContact CB-CG 3.94Å; V157-P217 HydrophobicContact CG1-CG 4.23Å; V157-P217 HydrophobicContact CG2-CG 4.2Å; C158-P217 WeakPolarHBondContact O-CB 3.29Å; Y159-P217 HydrophobicContact CD1-CB 4.06Å; Y159-P217 HydrophobicContact CE1-CB 4.33Å; Y159-P217 HydrophobicContact CE1-CG 4.29Å; K202-P217 WeakPolarHBondContact O-CD 3.5Å; W203-P217 HydrophobicContact CZ3-CG 4.24Å; W203-P217 WeakPolarHBondContact CZ3-O 3.35Å |
| 218 | G | 94.3 | Very high | 85.8 | Confident | 0 Ų | 0 | 31.9 Ų | 31.9 | 0% | 0 | 15% | 0.154 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -69 | 134.4 | -176.8 | 0 | 0 | 0 | 0 | 0 | 112.3 | V157 C158 F161 | V157-G218 CarbonylContact C-O 3.53Å; V157-G218 WeakPolarHBondContact CA-O 3.4Å; C158-G218 WeakPolarHBondContact CB-O 3.29Å; C158-G218 PolarHBondContact N-O 2.84Å; C158-G218 PolarHBondContact O-N 3.14Å; F161-G218 VanDerWaalsContact O-CA 3.28Å; F161-G218 WeakPolarHBondContact O-CA 3.47Å; F161-G218 PolarHBondContact O-N 3.37Å |
| 219 | A | 93.9 | Very high | 84.3 | Confident | 0 Ų | 0 | 41.1 Ų | 41.1 | 0% | 0 | 19% | 0.189 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -139.6 | 164.2 | 176.9 | 0 | 0 | 0 | 0 | 0 | 111.9 | V157 V163 W203 Y215 L456 | V157-A219 HydrophobicContact CG1-CB 4.44Å; V163-A219 WeakPolarHBondContact CG2-O 3.28Å; W203-A219 HydrophobicContact CH2-CB 4.26Å; W203-A219 HydrophobicContact CZ3-CB 4.44Å; Y215-A219 HydrophobicContact CE2-CB 4.07Å; Y215-A219 PolarHBondContact OH-O 2.92Å; A219-L456 HydrophobicContact CB-CD1 3.56Å; A219-L456 HydrophobicContact CB-CD2 3.93Å; A219-L456 HydrophobicContact CB-CG 4.28Å |
| 220 | M | 91.8 | Very high | 83 | Confident | 13 Ų | 13 | 43.1 Ų | 43.1 | 6% | 0.064 | 20% | 0.197 | C | C | . | . | P | Polyproline II helix | trans | -79.1 | 131.1 | 174.3 | -77.2 | -176.7 | 156.2 | 0 | 0 | 111.1 | L126 T127 I128 L146 L456 K457 L459 | L126-M220 HydrophobicContact CB-CE 3.4Å; L126-M220 VanDerWaalsContact CB-CE 3.4Å; L126-M220 HydrophobicContact CB-CG 3.9Å; L126-M220 HydrophobicContact CD1-CG 3.85Å; T127-M220 VanDerWaalsContact C-CE 3.41Å; I128-M220 HydrophobicContact CD1-CE 4.5Å; I128-M220 HydrophobicContact CD1-SD 4.08Å; I128-M220 HydrophobicContact CG1-CE 3.52Å; I128-M220 HydrophobicContact CG1-SD 3.69Å; L146-M220 HydrophobicContact CD1-CE 4.23Å; L146-M220 HydrophobicContact CD1-CG 3.84Å; L146-M220 HydrophobicContact CD1-SD 3.74Å; M220-L456 CarbonylContact O-C 3.58Å; M220-L456 VanDerWaalsContact O-CA 3.29Å; M220-L456 WeakPolarHBondContact O-CA 3.44Å; M220-L456 WeakPolarHBondContact O-CB 3.44Å; M220-K457 HydrophobicContact CB-CB 3.93Å; M220-K457 PolarHBondContact O-N 2.76Å; M220-L459 HydrophobicContact SD-CD1 3.96Å |
| 221 | W | 91.1 | Very high | 82.4 | Confident | 8 Ų | 8 | 43.1 Ų | 43.1 | 3% | 0.03 | 20% | 0.196 | C | C | . | . | B | Isolated β-bridge | trans | -84.9 | 139.9 | 174.7 | -161.2 | -93.5 | 0 | 0 | 0 | 110.9 | A123 K124 H165 F213 Y215 D231 F233 F454 N455 L456 | A123-W221 HydrophobicContact CB-CB 3.9Å; A123-W221 PolarHBondContact O-N 2.99Å; A123-W221 VanDerWaalsContact O-N 3.12Å; K124-W221 HydrophobicContact CG-CB 4.24Å; K124-W221 HydrophobicContact CG-CG 4.44Å; H165-W221 HydrophobicContact CB-CE3 4.41Å; H165-W221 AromaticContact CD2-CD1 3.72Å; H165-W221 AromaticContact CD2-CD2 3.53Å; H165-W221 AromaticContact CD2-CE2 3.32Å; H165-W221 AromaticContact CD2-CG 3.79Å; H165-W221 AromaticContact CD2-CZ2 3.79Å; H165-W221 AromaticContact CD2-NE1 3.4Å; H165-W221 PolarHBondContact CD2-NE1 2.91Å; H165-W221 AromaticContact NE2-CE2 3.71Å; H165-W221 AromaticContact NE2-CZ2 3.96Å; H165-W221 AromaticContact NE2-NE1 3.58Å; F213-W221 HydrophobicContact CE1-CZ3 4.49Å; Y215-W221 HydrophobicContact CE1-CE3 4.11Å; Y215-W221 HydrophobicContact CE1-CZ3 4.26Å; W221-D231 PolarHBondContact NE1-OD2 2.68Å; W221-F233 AromaticContact CH2-CD1 3.6Å; W221-F233 HydrophobicContact CH2-CD1 3.6Å; W221-F233 HydrophobicContact CH2-CD2 4.18Å; W221-F233 AromaticContact CH2-CE1 3.72Å; W221-F233 HydrophobicContact CH2-CE1 3.72Å; W221-F233 HydrophobicContact CH2-CE2 4.28Å; W221-F233 AromaticContact CH2-CG 3.84Å; W221-F233 HydrophobicContact CH2-CG 3.84Å; W221-F233 HydrophobicContact CH2-CZ 4.07Å; W221-F233 HydrophobicContact CZ2-CB 3.72Å; W221-F233 AromaticContact CZ2-CD1 3.54Å; W221-F233 HydrophobicContact CZ2-CD1 3.54Å; W221-F233 HydrophobicContact CZ2-CD2 4.15Å; W221-F233 HydrophobicContact CZ2-CE1 4.16Å; W221-F233 AromaticContact CZ2-CG 3.53Å; W221-F233 HydrophobicContact CZ2-CG 3.53Å; W221-F454 HydrophobicContact CZ3-CB 4.23Å; W221-F454 AromaticContact CZ3-CD1 3.96Å; W221-F454 HydrophobicContact CZ3-CD1 3.96Å; W221-N455 HydrophobicContact CH2-CB 4.41Å; W221-N455 HydrophobicContact CZ2-CB 3.77Å; W221-L456 HydrophobicContact CE3-CD2 3.88Å; W221-L456 HydrophobicContact CZ3-CD2 4.28Å |
| 222 | D | 86 | Confident | 81.8 | Confident | 51 Ų | 51 | 49.3 Ų | 49.3 | 27% | 0.273 | 22% | 0.224 | S | C | . | . | P | Polyproline II helix | trans | -93.4 | 133.8 | 173 | -157.2 | 19.5 | 0 | 0 | 0 | 110.6 | N455 K457 | D222-N455 PolarHBondContact N-O 3.13Å; D222-N455 PolarHBondContact O-ND2 2.72Å; D222-K457 HydrophobicContact CB-CB 4.3Å |
| 223 | I | 78.4 | Confident | 81.4 | Confident | 28 Ų | 28 | 50.4 Ų | 50.4 | 14% | 0.144 | 23% | 0.228 | C | C | . | . | trans | -95.3 | 111 | 178.6 | -57.9 | 175.7 | 0 | 0 | 0 | 106.5 | K124 L225 D226 L230 D231 | K124-I223 HydrophobicContact CB-CD1 4.41Å; K124-I223 HydrophobicContact CG-CD1 4.49Å; K124-I223 HydrophobicContact CG-CG1 4.37Å; I223-L225 PolarHBondContact O-N 2.92Å; I223-L225 VanDerWaalsContact O-N 3.12Å; I223-D226 HydrophobicContact CB-CB 4.37Å; I223-D226 PolarHBondContact O-N 2.84Å; I223-L230 WeakPolarHBondContact CG2-O 3.39Å; I223-D231 HydrophobicContact CG2-CB 4.46Å | ||
| 224 | Q | 68.9 | Low | 81.2 | Confident | 103 Ų | 103 | 50.4 Ų | 50.4 | 48% | 0.481 | 23% | 0.228 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -51.8 | -39.8 | -172.4 | -66.9 | 176.2 | -60 | 0 | 0 | 112.7 | F232 N455 | Q224-F232 VanDerWaalsContact OE1-CD2 3.23Å; Q224-N455 VanDerWaalsContact CG-ND2 3.34Å; Q224-N455 WeakPolarHBondContact CG-ND2 3.4Å |
| 225 | L | 66.8 | Low | 81 | Confident | 54 Ų | 54 | 50.1 Ų | 50.1 | 28% | 0.283 | 23% | 0.227 | S | C | . | . | B | Isolated β-bridge | trans | -120.8 | 73.2 | 172.9 | -68.6 | 172.1 | 0 | 0 | 0 | 109.3 | I223 E227 Y228 R229 L230 F232 | I223-L225 PolarHBondContact O-N 2.92Å; I223-L225 VanDerWaalsContact O-N 3.12Å; L225-E227 PolarHBondContact O-N 3.43Å; L225-Y228 HydrophobicContact CB-CD2 4.29Å; L225-Y228 CarbonylContact O-C 3.44Å; L225-Y228 PolarHBondContact O-N 3.07Å; L225-R229 WeakPolarHBondContact O-CA 3.24Å; L225-R229 PolarHBondContact O-N 2.02Å; L225-L230 HydrophobicContact CB-CB 4.07Å; L225-L230 HydrophobicContact CD1-CB 4.19Å; L225-L230 HydrophobicContact CD1-CD1 4.24Å; L225-L230 PolarHBondContact N-O 3.21Å; L225-L230 VanDerWaalsContact N-O 3.15Å; L225-L230 PolarHBondContact O-N 3.46Å; L225-L230 VanDerWaalsContact O-N 3.16Å; L225-F232 HydrophobicContact CD1-CE2 3.97Å; L225-F232 HydrophobicContact CD1-CZ 4.1Å |
| 226 | D | 59.1 | Low | 80.8 | Confident | 93 Ų | 93 | 50.4 Ų | 50.4 | 50% | 0.497 | 23% | 0.228 | S | C | . | . | G | 310 helix | trans | -56.3 | -35.8 | -176.3 | -158.8 | 13.9 | 0 | 0 | 0 | 112.3 | I223 Y228 R229 | I223-D226 HydrophobicContact CB-CB 4.37Å; I223-D226 PolarHBondContact O-N 2.84Å; D226-Y228 VanDerWaalsContact C-N 3.27Å; D226-Y228 PolarHBondContact O-N 2.92Å; D226-R229 PolarHBondContact O-N 3.41Å; D226-R229 VanDerWaalsContact O-N 3.11Å |
| 227 | E | 55.2 | Low | 80.6 | Confident | 121 Ų | 121 | 51 Ų | 51 | 57% | 0.565 | 23% | 0.234 | S | C | * | . | G | 310 helix | trans | -58.5 | -37.3 | 175.9 | -65.1 | -170 | 173.7 | 0 | 0 | 112.9 | L225 | L225-E227 PolarHBondContact O-N 3.43Š|
| 228 | Y | 61.5 | Low | 80.5 | Confident | 137 Ų | 137 | 52.9 Ų | 52.9 | 54% | 0.537 | 24% | 0.243 | S | C | . | . | G | 310 helix | trans | -99.8 | -1.6 | 178.9 | -59.9 | -72.2 | 0 | 0 | 0 | 112.8 | L225 D226 L230 F1064 | L225-Y228 HydrophobicContact CB-CD2 4.29Å; L225-Y228 CarbonylContact O-C 3.44Å; L225-Y228 PolarHBondContact O-N 3.07Å; D226-Y228 VanDerWaalsContact C-N 3.27Å; D226-Y228 PolarHBondContact O-N 2.92Å; Y228-L230 HydrophobicContact CG-CD1 4.47Å; Y228-L230 PolarHBondContact O-N 3.22Å; Y228-F1064 HydrophobicContact CE2-CZ 4.33Å |
| 229 | R | 65.4 | Low | 80.4 | Confident | 197 Ų | 197 | 54 Ų | 54 | 74% | 0.743 | 25% | 0.25 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 50.5 | 31.6 | -169.8 | -59.6 | -178.3 | 176.1 | 173.6 | 0.7 | 113.3 | L225 D226 | L225-R229 WeakPolarHBondContact O-CA 3.24Å; L225-R229 PolarHBondContact O-N 2.02Å; D226-R229 PolarHBondContact O-N 3.41Å; D226-R229 VanDerWaalsContact O-N 3.11Å |
| 230 | L | 67.2 | Low | 80.4 | Confident | 70 Ų | 70 | 54 Ų | 54 | 37% | 0.366 | 25% | 0.25 | S | S | . | . | B | Isolated β-bridge | trans | -94.4 | 130.2 | -179.3 | -66.2 | 170.8 | 0 | 0 | 0 | 110.1 | T168 I223 L225 Y228 | T168-L230 HydrophobicContact CG2-CD2 4.35Å; I223-L230 WeakPolarHBondContact CG2-O 3.39Å; L225-L230 HydrophobicContact CB-CB 4.07Å; L225-L230 HydrophobicContact CD1-CB 4.19Å; L225-L230 HydrophobicContact CD1-CD1 4.24Å; L225-L230 PolarHBondContact N-O 3.21Å; L225-L230 VanDerWaalsContact N-O 3.15Å; L225-L230 PolarHBondContact O-N 3.46Å; L225-L230 VanDerWaalsContact O-N 3.16Å; Y228-L230 HydrophobicContact CG-CD1 4.47Å; Y228-L230 PolarHBondContact O-N 3.22Å |
| 231 | D | 79.3 | Confident | 80.6 | Confident | 9 Ų | 9 | 53.5 Ų | 53.5 | 5% | 0.048 | 25% | 0.248 | C | C | . | . | trans | -137.6 | 121.6 | 177.9 | 173.9 | 17.4 | 0 | 0 | 0 | 108.3 | K124 H165 T168 W221 I223 F233 | K124-D231 WeakPolarHBondContact CE-OD2 3.46Å; K124-D231 IonicContact NZ-OD2 3.26Å; K124-D231 PolarHBondContact NZ-OD2 3.38Å; H165-D231 IonicContact CD2-OD2 3.74Å; H165-D231 PolarHBondContact CD2-OD2 3.41Å; H165-D231 IonicContact CE1-OD2 3.42Å; H165-D231 IonicContact NE2-OD2 2.64Å; H165-D231 PolarHBondContact NE2-OD2 3.11Å; T168-D231 PolarHBondContact OG1-N 2.95Å; T168-D231 PolarHBondContact OG1-O 3.42Å; W221-D231 PolarHBondContact NE1-OD2 2.68Å; I223-D231 HydrophobicContact CG2-CB 4.46Å; D231-F233 PolarHBondContact OD1-N 3.49Å; D231-F233 VanDerWaalsContact OD1-N 3.14Å | ||
| 232 | F | 80.9 | Confident | 80.8 | Confident | 131 Ų | 131 | 53.3 Ų | 53.3 | 58% | 0.575 | 25% | 0.247 | S | C | * | . | trans | -89.1 | -8.6 | -172.5 | -59.9 | -69.2 | 0 | 0 | 0 | 113.1 | Q224 L225 D234 | Q224-F232 VanDerWaalsContact OE1-CD2 3.23Å; L225-F232 HydrophobicContact CD1-CE2 3.97Å; L225-F232 HydrophobicContact CD1-CZ 4.1Å; F232-D234 PolarHBondContact O-N 3.23Å | ||
| 233 | F | 88 | Confident | 81.1 | Confident | 22 Ų | 22 | 51.5 Ų | 51.5 | 10% | 0.096 | 24% | 0.237 | C | C | . | . | trans | -69.1 | 127.8 | 180 | -175.4 | -96.4 | 0 | 0 | 0 | 111.7 | H165 F213 W221 D231 C235 Q238 Q453 | H165-F233 AromaticContact CE1-CD1 3.53Å; H165-F233 PolarHBondContact CE1-O 2.86Å; H165-F233 VanDerWaalsContact CE1-O 3.26Å; H165-F233 AromaticContact ND1-CD1 3.78Å; H165-F233 AromaticContact NE2-CD1 3.87Å; F213-F233 AromaticContact CD1-CE1 3.78Å; F213-F233 HydrophobicContact CD1-CE1 3.78Å; F213-F233 HydrophobicContact CD1-CZ 4.36Å; F213-F233 AromaticContact CE1-CE1 3.99Å; F213-F233 HydrophobicContact CE1-CE1 3.99Å; F213-F233 HydrophobicContact CE1-CZ 4.13Å; F213-F233 HydrophobicContact CG-CE1 4.33Å; F213-F233 HydrophobicContact CZ-CZ 4.5Å; W221-F233 AromaticContact CH2-CD1 3.6Å; W221-F233 HydrophobicContact CH2-CD1 3.6Å; W221-F233 HydrophobicContact CH2-CD2 4.18Å; W221-F233 AromaticContact CH2-CE1 3.72Å; W221-F233 HydrophobicContact CH2-CE1 3.72Å; W221-F233 HydrophobicContact CH2-CE2 4.28Å; W221-F233 AromaticContact CH2-CG 3.84Å; W221-F233 HydrophobicContact CH2-CG 3.84Å; W221-F233 HydrophobicContact CH2-CZ 4.07Å; W221-F233 HydrophobicContact CZ2-CB 3.72Å; W221-F233 AromaticContact CZ2-CD1 3.54Å; W221-F233 HydrophobicContact CZ2-CD1 3.54Å; W221-F233 HydrophobicContact CZ2-CD2 4.15Å; W221-F233 HydrophobicContact CZ2-CE1 4.16Å; W221-F233 AromaticContact CZ2-CG 3.53Å; W221-F233 HydrophobicContact CZ2-CG 3.53Å; D231-F233 PolarHBondContact OD1-N 3.49Å; D231-F233 VanDerWaalsContact OD1-N 3.14Å; F233-C235 HydrophobicContact CE1-CB 4.38Å; F233-Q238 HydrophobicContact CE2-CG 3.98Å; F233-Q238 HydrophobicContact CZ-CG 4.19Å; F233-Q453 HydrophobicContact CE2-CB 4.48Å; F233-Q453 WeakPolarHBondContact CE2-O 3.33Å | ||
| 234 | D | 91.4 | Very high | 81.9 | Confident | 0 Ų | 0 | 50.3 Ų | 50.3 | 0% | 0 | 23% | 0.231 | C | C | . | . | trans | -134.9 | 128.3 | 165.7 | -169.9 | -29.1 | 0 | 0 | 0 | 107.4 | P167 F232 R236 S237 Q238 | P167-D234 HydrophobicContact CB-CB 4.13Å; F232-D234 PolarHBondContact O-N 3.23Å; D234-R236 PolarHBondContact O-N 3.15Å; D234-R236 WeakPolarHBondContact OD1-CB 3.47Å; D234-R236 PolarHBondContact OD1-N 3.27Å; D234-R236 IonicContact OD1-NE 3.8Å; D234-R236 PolarHBondContact OD1-NE 3.4Å; D234-R236 VanDerWaalsContact OD1-NE 3.15Å; D234-R236 IonicContact OD2-CZ 3.81Å; D234-R236 IonicContact OD2-NE 2.7Å; D234-R236 PolarHBondContact OD2-NE 3.32Å; D234-R236 IonicContact OD2-NH2 3.38Å; D234-R236 PolarHBondContact OD2-NH2 3.05Å; D234-S237 PolarHBondContact O-N 3.49Å; D234-S237 PolarHBondContact O-OG 3.04Å; D234-S237 VanDerWaalsContact O-OG 3.04Å; D234-Q238 WeakPolarHBondContact O-CG 3.49Å; D234-Q238 PolarHBondContact O-NE2 2.86Å; D234-Q238 VanDerWaalsContact O-NE2 3.08Å | ||
| 235 | C | 93.2 | Very high | 83.1 | Confident | 0 Ų | 0 | 45.4 Ų | 45.4 | 0% | 0 | 21% | 0.208 | C | C | . | . | G | 310 helix | trans | -62.6 | -29.6 | 179 | 63.2 | 0 | 0 | 0 | 0 | 112.2 | F213 F233 S237 Q238 W240 Y241 | F213-C235 HydrophobicContact CB-CB 3.99Å; F213-C235 HydrophobicContact CD2-CB 3.64Å; F213-C235 HydrophobicContact CE2-CB 4.32Å; F213-C235 HydrophobicContact CG-CB 3.93Å; F233-C235 HydrophobicContact CE1-CB 4.38Å; C235-S237 VanDerWaalsContact C-N 3.27Å; C235-S237 PolarHBondContact O-N 2.88Å; C235-Q238 WeakPolarHBondContact O-CB 3.29Å; C235-Q238 PolarHBondContact O-N 3.41Å; C235-Q238 VanDerWaalsContact O-N 3.15Å; C235-W240 HydrophobicContact CB-CH2 4.32Å; C235-W240 HydrophobicContact CB-CZ2 3.9Å; C235-Y241 WeakPolarHBondContact O-CB 3.44Å |
| 236 | R | 93.7 | Very high | 84.2 | Confident | 6 Ų | 6 | 43 Ų | 43 | 2% | 0.023 | 20% | 0.197 | C | C | . | . | G | 310 helix | trans | -72.2 | -19.6 | -176.1 | -62.1 | 173.7 | -67 | 172.6 | 5.6 | 113.7 | S209 D234 Y241 L242 E423 L426 | S209-R236 WeakPolarHBondContact O-CD 3.49Å; S209-R236 PolarHBondContact O-NH1 2.98Å; D234-R236 PolarHBondContact O-N 3.15Å; D234-R236 WeakPolarHBondContact OD1-CB 3.47Å; D234-R236 PolarHBondContact OD1-N 3.27Å; D234-R236 IonicContact OD1-NE 3.8Å; D234-R236 PolarHBondContact OD1-NE 3.4Å; D234-R236 VanDerWaalsContact OD1-NE 3.15Å; D234-R236 IonicContact OD2-CZ 3.81Å; D234-R236 IonicContact OD2-NE 2.7Å; D234-R236 PolarHBondContact OD2-NE 3.32Å; D234-R236 IonicContact OD2-NH2 3.38Å; D234-R236 PolarHBondContact OD2-NH2 3.05Å; R236-Y241 HydrophobicContact CB-CD1 4.2Å; R236-Y241 HydrophobicContact CB-CE1 4.15Å; R236-Y241 HydrophobicContact CG-CE1 4.11Å; R236-Y241 HydrophobicContact CG-CE2 4.21Å; R236-L242 WeakPolarHBondContact O-CD2 2.94Å; R236-E423 IonicContact CZ-OE2 3.28Å; R236-E423 VanDerWaalsContact CZ-OE2 3.31Å; R236-E423 IonicContact NH1-OE1 3.75Å; R236-E423 IonicContact NH1-OE2 2.64Å; R236-E423 PolarHBondContact NH1-OE2 3.38Å; R236-E423 IonicContact NH2-OE2 3.44Å; R236-E423 PolarHBondContact NH2-OE2 2.93Å; R236-L426 HydrophobicContact CB-CD1 3.95Å; R236-L426 HydrophobicContact CB-CD2 4.15Å |
| 237 | S | 91.1 | Very high | 85.6 | Confident | 25 Ų | 25 | 41.5 Ų | 41.5 | 18% | 0.175 | 18% | 0.184 | C | C | . | . | G | 310 helix | trans | -96.2 | 3.3 | 175 | 63.9 | 0 | 0 | 0 | 0 | 112.9 | D234 C235 | D234-S237 PolarHBondContact O-N 3.49Å; D234-S237 PolarHBondContact O-OG 3.04Å; D234-S237 VanDerWaalsContact O-OG 3.04Å; C235-S237 VanDerWaalsContact C-N 3.27Å; C235-S237 PolarHBondContact O-N 2.88Å |
| 238 | Q | 92.7 | Very high | 87.3 | Confident | 42 Ų | 42 | 38 Ų | 38 | 20% | 0.196 | 17% | 0.173 | C | C | . | . | S | Bend | trans | -81.8 | 146.6 | 178 | -57.9 | -52.6 | -53.4 | 0 | 0 | 111 | F233 D234 C235 W240 Y241 L242 | F233-Q238 HydrophobicContact CE2-CG 3.98Å; F233-Q238 HydrophobicContact CZ-CG 4.19Å; D234-Q238 WeakPolarHBondContact O-CG 3.49Å; D234-Q238 PolarHBondContact O-NE2 2.86Å; D234-Q238 VanDerWaalsContact O-NE2 3.08Å; C235-Q238 WeakPolarHBondContact O-CB 3.29Å; C235-Q238 PolarHBondContact O-N 3.41Å; C235-Q238 VanDerWaalsContact O-N 3.15Å; Q238-W240 VanDerWaalsContact C-N 3.3Å; Q238-W240 HydrophobicContact CB-CG 4.37Å; Q238-W240 VanDerWaalsContact CB-NE1 3.33Å; Q238-W240 PolarHBondContact O-N 3.22Å; Q238-Y241 PolarHBondContact O-N 2.72Å; Q238-L242 WeakPolarHBondContact O-CG 3.02Å; Q238-L242 PolarHBondContact O-N 3.28Å |
| 239 | P | 92.9 | Very high | 88.8 | Confident | 25 Ų | 25 | 31.7 Ų | 31.7 | 16% | 0.162 | 15% | 0.148 | C | C | . | . | H | α-helix | trans | -53.6 | -41.9 | -177.8 | -28.6 | 35.3 | 0 | 0 | 0 | 114 | Y241 L242 Q243 T447 | P239-Y241 VanDerWaalsContact C-N 3.28Å; P239-Y241 PolarHBondContact O-N 2.83Å; P239-L242 PolarHBondContact O-N 3.22Å; P239-Q243 WeakPolarHBondContact O-CB 3.4Å; P239-Q243 VanDerWaalsContact O-CG 3.25Å; P239-Q243 WeakPolarHBondContact O-CG 3.22Å; P239-Q243 PolarHBondContact O-N 3.21Å; P239-T447 HydrophobicContact CB-CG2 3.99Å |
| 240 | W | 94.2 | Very high | 90.2 | Very high | 0 Ų | 0 | 22.5 Ų | 22.5 | 0% | 0 | 11% | 0.113 | C | C | . | . | H | α-helix | trans | -62.5 | -34.5 | -179.8 | 64.7 | -97.8 | 0 | 0 | 0 | 112.8 | Y205 F213 C235 Q238 A244 T447 A512 V533 | Y205-W240 HydrophobicContact CD2-CE3 4.44Å; Y205-W240 AromaticContact CD2-CH2 3.68Å; Y205-W240 HydrophobicContact CD2-CH2 3.68Å; Y205-W240 AromaticContact CD2-CZ2 3.77Å; Y205-W240 HydrophobicContact CD2-CZ2 3.77Å; Y205-W240 HydrophobicContact CD2-CZ3 4Å; Y205-W240 AromaticContact CE2-CD2 3.64Å; Y205-W240 HydrophobicContact CE2-CD2 3.64Å; Y205-W240 AromaticContact CE2-CE2 3.52Å; Y205-W240 AromaticContact CE2-CE3 3.77Å; Y205-W240 HydrophobicContact CE2-CE3 3.77Å; Y205-W240 HydrophobicContact CE2-CG 4.3Å; Y205-W240 AromaticContact CE2-CH2 3.74Å; Y205-W240 HydrophobicContact CE2-CH2 3.74Å; Y205-W240 AromaticContact CE2-CZ2 3.59Å; Y205-W240 HydrophobicContact CE2-CZ2 3.59Å; Y205-W240 AromaticContact CE2-CZ3 3.8Å; Y205-W240 HydrophobicContact CE2-CZ3 3.8Å; F213-W240 HydrophobicContact CD2-CH2 4.38Å; F213-W240 HydrophobicContact CD2-CZ2 4.22Å; F213-W240 HydrophobicContact CE2-CH2 4.12Å; F213-W240 AromaticContact CE2-CZ2 3.73Å; F213-W240 HydrophobicContact CE2-CZ2 3.73Å; C235-W240 HydrophobicContact CB-CH2 4.32Å; C235-W240 HydrophobicContact CB-CZ2 3.9Å; Q238-W240 VanDerWaalsContact C-N 3.3Å; Q238-W240 HydrophobicContact CB-CG 4.37Å; Q238-W240 VanDerWaalsContact CB-NE1 3.33Å; Q238-W240 PolarHBondContact O-N 3.22Å; W240-A244 WeakPolarHBondContact O-CB 3.45Å; W240-A244 PolarHBondContact O-N 3.05Å; W240-T447 VanDerWaalsContact CA-CG2 3.44Å; W240-T447 HydrophobicContact CB-CG2 3.57Å; W240-A512 HydrophobicContact CB-CB 3.97Å; W240-A512 HydrophobicContact CE3-CB 4.05Å; W240-V533 HydrophobicContact CE3-CB 4.12Å; W240-V533 HydrophobicContact CE3-CG1 3.56Å; W240-V533 HydrophobicContact CZ3-CB 3.64Å; W240-V533 HydrophobicContact CZ3-CG1 3.55Å |
| 241 | Y | 96 | Very high | 91.6 | Very high | 2 Ų | 2 | 19.2 Ų | 19.2 | 1% | 0.008 | 10% | 0.096 | C | C | . | . | H | α-helix | trans | -75.2 | -48 | 177.9 | -171.8 | -77.9 | 0 | 0 | 0 | 110.2 | G207 S209 C235 R236 Q238 P239 A244 S245 L429 V533 | G207-Y241 WeakPolarHBondContact O-CE2 3.39Å; S209-Y241 VanDerWaalsContact CA-OH 3.29Å; S209-Y241 WeakPolarHBondContact CA-OH 3.29Å; C235-Y241 WeakPolarHBondContact O-CB 3.44Å; R236-Y241 HydrophobicContact CB-CD1 4.2Å; R236-Y241 HydrophobicContact CB-CE1 4.15Å; R236-Y241 HydrophobicContact CG-CE1 4.11Å; R236-Y241 HydrophobicContact CG-CE2 4.21Å; Q238-Y241 PolarHBondContact O-N 2.72Å; P239-Y241 VanDerWaalsContact C-N 3.28Å; P239-Y241 PolarHBondContact O-N 2.83Å; Y241-A244 PolarHBondContact O-N 2.8Å; Y241-S245 WeakPolarHBondContact CD1-OG 3.48Å; Y241-S245 WeakPolarHBondContact CE1-OG 3.29Å; Y241-S245 WeakPolarHBondContact O-CB 3.43Å; Y241-S245 PolarHBondContact O-N 2.84Å; Y241-S245 PolarHBondContact O-OG 3.18Å; Y241-L429 HydrophobicContact CE1-CD1 4.39Å; Y241-V533 HydrophobicContact CD1-CG2 4.45Å; Y241-V533 HydrophobicContact CD2-CB 3.74Å; Y241-V533 HydrophobicContact CD2-CG2 3.72Å; Y241-V533 HydrophobicContact CE1-CG2 4.48Å; Y241-V533 HydrophobicContact CE2-CB 4.01Å; Y241-V533 HydrophobicContact CE2-CG2 3.77Å; Y241-V533 HydrophobicContact CG-CB 4.36Å; Y241-V533 HydrophobicContact CG-CG2 4.06Å |
| 242 | L | 94.4 | Very high | 92.4 | Very high | 4 Ų | 4 | 18.8 Ų | 18.8 | 2% | 0.021 | 9% | 0.094 | C | C | . | . | H | α-helix | trans | -62.4 | -44.7 | -176.8 | -67.9 | 170.4 | 0 | 0 | 0 | 112.2 | R236 Q238 P239 T279 T281 L429 | R236-L242 WeakPolarHBondContact O-CD2 2.94Å; Q238-L242 WeakPolarHBondContact O-CG 3.02Å; Q238-L242 PolarHBondContact O-N 3.28Å; P239-L242 PolarHBondContact O-N 3.22Å; L242-T279 WeakPolarHBondContact CD1-O 3.3Å; L242-T281 HydrophobicContact CB-CG2 3.62Å; L242-T281 HydrophobicContact CD1-CG2 4.1Å; L242-L429 HydrophobicContact CD2-CD1 3.72Å; L242-L429 HydrophobicContact CD2-CD2 4.17Å |
| 243 | Q | 93.2 | Very high | 93.2 | Very high | 12 Ų | 12 | 12.5 Ų | 12.5 | 6% | 0.056 | 7% | 0.066 | C | C | . | . | H | α-helix | trans | -73 | -30.7 | -179 | -62.8 | 179.6 | 8 | 0 | 0 | 113.1 | P239 T281 Y443 T445 W446 | P239-Q243 WeakPolarHBondContact O-CB 3.4Å; P239-Q243 VanDerWaalsContact O-CG 3.25Å; P239-Q243 WeakPolarHBondContact O-CG 3.22Å; P239-Q243 PolarHBondContact O-N 3.21Å; Q243-T281 HydrophobicContact CG-CG2 3.72Å; Q243-Y443 PolarHBondContact O-OH 2.92Å; Q243-T445 HydrophobicContact CB-CG2 3.96Å; Q243-T445 VanDerWaalsContact CB-OG1 3.26Å; Q243-T445 WeakPolarHBondContact CB-OG1 3.4Å; Q243-T445 PolarHBondContact OE1-OG1 3.35Å; Q243-W446 PolarHBondContact OE1-O 3.28Å |
| 244 | A | 95.1 | Very high | 93.6 | Very high | 3 Ų | 3 | 11.5 Ų | 11.5 | 3% | 0.025 | 6% | 0.062 | C | C | . | . | H | α-helix | trans | -80 | -30.4 | 179.7 | 0 | 0 | 0 | 0 | 0 | 112.6 | W240 Y241 A246 T445 A512 A514 V533 | W240-A244 WeakPolarHBondContact O-CB 3.45Å; W240-A244 PolarHBondContact O-N 3.05Å; Y241-A244 PolarHBondContact O-N 2.8Å; A244-A246 VanDerWaalsContact C-N 3.34Å; A244-A246 PolarHBondContact O-N 3.4Å; A244-T445 HydrophobicContact CB-CG2 3.65Å; A244-A512 HydrophobicContact CB-CB 4.15Å; A244-A514 WeakPolarHBondContact O-CB 3.39Å; A244-V533 HydrophobicContact CB-CB 4.45Å; A244-V533 HydrophobicContact CB-CG1 3.49Å; A244-V533 VanDerWaalsContact CB-CG1 3.49Å; A244-V533 HydrophobicContact CB-CG2 4.04Å |
| 245 | S | 93.1 | Very high | 93.8 | Very high | 0 Ų | 0 | 11.5 Ų | 11.5 | 0% | 0 | 6% | 0.062 | C | C | . | . | H | α-helix | trans | -67.8 | -33.1 | -172.7 | -66.4 | 0 | 0 | 0 | 0 | 113.1 | Y241 A433 | Y241-S245 WeakPolarHBondContact CD1-OG 3.48Å; Y241-S245 WeakPolarHBondContact CE1-OG 3.29Å; Y241-S245 WeakPolarHBondContact O-CB 3.43Å; Y241-S245 PolarHBondContact O-N 2.84Å; Y241-S245 PolarHBondContact O-OG 3.18Å; S245-A433 VanDerWaalsContact O-CB 3.24Å; S245-A433 WeakPolarHBondContact O-CB 3.33Å |
| 246 | A | 89.9 | Confident | 93.9 | Very high | 4 Ų | 4 | 11.5 Ų | 11.5 | 3% | 0.033 | 6% | 0.062 | C | C | . | . | S | Bend | trans | -160.7 | 164 | -177.7 | 0 | 0 | 0 | 0 | 0 | 111.8 | A244 I432 Y443 | A244-A246 VanDerWaalsContact C-N 3.34Å; A244-A246 PolarHBondContact O-N 3.4Å; A246-I432 HydrophobicContact CB-CB 4.32Å; A246-I432 HydrophobicContact CB-CD1 3.39Å; A246-I432 HydrophobicContact CB-CG1 3.66Å; A246-Y443 PolarHBondContact O-OH 3.45Å |
| 247 | Y | 89.6 | Confident | 93.9 | Very high | 61 Ų | 61 | 11.5 Ų | 11.5 | 24% | 0.239 | 6% | 0.062 | C | C | . | . | trans | -62.6 | 159.8 | 174.6 | -55.9 | -65.4 | 0 | 0 | 0 | 113 | N436 D441 Y443 | Y247-N436 WeakPolarHBondContact CD2-ND2 3.23Å; Y247-N436 WeakPolarHBondContact CE2-ND2 3.36Å; Y247-N436 WeakPolarHBondContact CE2-OD1 3.46Å; Y247-N436 VanDerWaalsContact CZ-ND2 3.35Å; Y247-D441 PolarHBondContact OH-OD2 2.85Å; Y247-Y443 WeakPolarHBondContact CA-OH 3.39Å; Y247-Y443 HydrophobicContact CD1-CD1 4.36Å; Y247-Y443 AromaticContact CD1-CE1 3.47Å; Y247-Y443 HydrophobicContact CD1-CE1 3.47Å; Y247-Y443 VanDerWaalsContact CD1-CE1 3.47Å; Y247-Y443 AromaticContact CD1-CZ 3.92Å; Y247-Y443 AromaticContact CE1-CD1 3.88Å; Y247-Y443 HydrophobicContact CE1-CD1 3.88Å; Y247-Y443 AromaticContact CE1-CE1 3.38Å; Y247-Y443 HydrophobicContact CE1-CE1 3.38Å; Y247-Y443 HydrophobicContact CG-CE1 4.47Å; Y247-Y443 PolarHBondContact N-OH 3.14Å | ||
| 248 | P | 91.4 | Very high | 93.9 | Very high | 49 Ų | 49 | 10.5 Ų | 10.5 | 32% | 0.318 | 6% | 0.055 | S | C | . | . | trans | -48.3 | 144.2 | 174.4 | -30.6 | 37.2 | 0 | 0 | 0 | 114.3 | N283 D284 N357 | P248-N283 HydrophobicContact CG-CB 4.36Å; P248-D284 WeakPolarHBondContact CA-OD1 3.48Å; P248-N357 PolarHBondContact O-N 3.2Å | ||
| 249 | K | 92.8 | Very high | 93.8 | Very high | 3 Ų | 3 | 9.8 Ų | 9.8 | 1% | 0.013 | 6% | 0.059 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.4 | 140 | -170.4 | -60.4 | 172.5 | -63.5 | -58.6 | 0 | 111.2 | M251 D284 Y285 N357 M359 Y428 I432 | K249-M251 HydrophobicContact CD-CE 4.36Å; K249-D284 HydrophobicContact CB-CB 4.41Å; K249-D284 WeakPolarHBondContact CB-OD1 3.34Å; K249-D284 WeakPolarHBondContact CE-OD1 3.41Å; K249-D284 PolarHBondContact N-OD1 2.98Å; K249-D284 IonicContact NZ-OD1 3.54Å; K249-D284 PolarHBondContact NZ-OD1 2.95Å; K249-D284 IonicContact NZ-OD2 3.66Å; K249-D284 PolarHBondContact NZ-OD2 2.79Å; K249-D284 WeakPolarHBondContact O-CA 3.41Å; K249-Y285 PolarHBondContact O-N 2.9Å; K249-N357 WeakPolarHBondContact CA-O 3.31Å; K249-M359 HydrophobicContact CB-SD 4.42Å; K249-M359 HydrophobicContact CD-CE 4.27Å; K249-M359 HydrophobicContact CD-SD 4.07Å; K249-M359 HydrophobicContact CG-CE 4.17Å; K249-M359 HydrophobicContact CG-SD 4.32Å; K249-Y428 HydrophobicContact CD-CE2 3.99Å; K249-Y428 WeakPolarHBondContact CE-OH 3.19Å; K249-I432 HydrophobicContact CD-CD1 3.95Å |
| 250 | E | 94.4 | Very high | 93.5 | Very high | 5 Ų | 5 | 11.7 Ų | 11.7 | 2% | 0.023 | 7% | 0.073 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111 | 106 | 163.4 | -76.1 | 178.7 | 165.5 | 0 | 0 | 107.7 | Y285 L306 C356 N357 R358 M359 | E250-Y285 CarbonylContact C-O 3.59Å; E250-Y285 WeakPolarHBondContact CA-O 3.32Å; E250-L306 HydrophobicContact CB-CD1 3.82Å; E250-L306 HydrophobicContact CG-CD1 3.93Å; E250-C356 HydrophobicContact CB-CB 4.5Å; E250-C356 HydrophobicContact CG-CB 3.74Å; E250-N357 PolarHBondContact N-O 2.64Å; E250-R358 HydrophobicContact CB-CG 4.05Å; E250-R358 WeakPolarHBondContact O-CA 3.48Å; E250-R358 VanDerWaalsContact OE2-CG 3.28Å; E250-R358 WeakPolarHBondContact OE2-CG 3.37Å; E250-R358 IonicContact OE2-CZ 3.92Å; E250-R358 IonicContact OE2-NE 3.81Å; E250-R358 PolarHBondContact OE2-NE 3.37Å; E250-R358 IonicContact OE2-NH2 3.77Å; E250-R358 PolarHBondContact OE2-NH2 3.2Å; E250-M359 PolarHBondContact O-N 2.89Å |
| 251 | M | 95.6 | Very high | 93.3 | Very high | 0 Ų | 0 | 11.7 Ų | 11.7 | 0% | 0 | 7% | 0.073 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.8 | 123.8 | -166.7 | -177.8 | -177.2 | -66.7 | 0 | 0 | 112.3 | K249 I253 I276 L280 Y285 F286 N287 M359 M361 Y428 | K249-M251 HydrophobicContact CD-CE 4.36Å; M251-I253 HydrophobicContact CG-CG1 4.03Å; M251-I253 HydrophobicContact SD-CD1 4.11Å; M251-I253 HydrophobicContact SD-CG1 3.96Å; M251-I276 HydrophobicContact CE-CG2 4.25Å; M251-I276 HydrophobicContact SD-CG2 3.44Å; M251-I276 WeakPolarHBondContact SD-CG2 3.49Å; M251-L280 HydrophobicContact CE-CD2 3.66Å; M251-L280 HydrophobicContact SD-CD1 4.31Å; M251-L280 HydrophobicContact SD-CD2 3.99Å; M251-Y285 PolarHBondContact N-O 2.89Å; M251-F286 HydrophobicContact CB-CB 4.3Å; M251-F286 CarbonylContact O-C 3.6Å; M251-F286 WeakPolarHBondContact O-CA 3.45Å; M251-F286 WeakPolarHBondContact O-CB 3.23Å; M251-N287 PolarHBondContact O-N 3.18Å; M251-M359 WeakPolarHBondContact CA-O 3.1Å; M251-M359 HydrophobicContact CB-CG 3.99Å; M251-M359 HydrophobicContact CE-CG 4.19Å; M251-M359 HydrophobicContact CE-SD 3.45Å; M251-M359 WeakPolarHBondContact CE-SD 3.4Å; M251-M359 HydrophobicContact CG-CG 4.05Å; M251-M361 HydrophobicContact CE-CE 3.47Å; M251-M361 VanDerWaalsContact CE-CE 3.47Å; M251-M361 HydrophobicContact CE-CG 4.1Å; M251-M361 HydrophobicContact CG-CG 3.81Å; M251-M361 HydrophobicContact SD-CE 4.3Å; M251-M361 HydrophobicContact SD-CG 3.65Å; M251-Y428 HydrophobicContact CE-CE2 4.34Å |
| 252 | I | 97.5 | Very high | 93 | Very high | 0 Ų | 0 | 18.3 Ų | 18.3 | 0% | 0 | 10% | 0.102 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.2 | 123.3 | 166.9 | -60.8 | 171.2 | 0 | 0 | 0 | 109 | N287 M289 L306 V339 L342 F343 M359 I360 M361 | I252-N287 WeakPolarHBondContact CA-O 3.3Å; I252-M289 HydrophobicContact CG2-CE 4.12Å; I252-M289 HydrophobicContact CG2-CG 4.32Å; I252-M289 HydrophobicContact CG2-SD 4.24Å; I252-L306 HydrophobicContact CD1-CD2 4.18Å; I252-L306 HydrophobicContact CG1-CD2 3.75Å; I252-V339 HydrophobicContact CB-CG1 4.41Å; I252-V339 HydrophobicContact CD1-CG1 3.87Å; I252-V339 HydrophobicContact CG2-CG1 4.45Å; I252-V339 HydrophobicContact CG2-CG2 3.86Å; I252-L342 HydrophobicContact CD1-CB 4.26Å; I252-L342 HydrophobicContact CD1-CD2 3.8Å; I252-L342 HydrophobicContact CD1-CG 4.29Å; I252-L342 HydrophobicContact CG1-CD2 4.29Å; I252-F343 HydrophobicContact CB-CZ 4.46Å; I252-F343 HydrophobicContact CD1-CD1 3.9Å; I252-F343 HydrophobicContact CD1-CD2 4Å; I252-F343 HydrophobicContact CD1-CE1 3.6Å; I252-F343 HydrophobicContact CD1-CE2 3.72Å; I252-F343 HydrophobicContact CD1-CG 4.09Å; I252-F343 HydrophobicContact CD1-CZ 3.51Å; I252-F343 HydrophobicContact CG1-CE1 4Å; I252-F343 HydrophobicContact CG1-CE2 4.46Å; I252-F343 HydrophobicContact CG1-CZ 3.86Å; I252-M359 PolarHBondContact N-O 3.37Å; I252-I360 CarbonylContact O-C 3.58Å; I252-I360 WeakPolarHBondContact O-CA 3.45Å; I252-M361 PolarHBondContact O-N 3.3Å |
| 253 | I | 97.9 | Very high | 92.7 | Very high | 0 Ų | 0 | 20.4 Ų | 20.4 | 0% | 0 | 12% | 0.124 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -98.7 | 116 | 178.6 | -51.4 | 178.3 | 0 | 0 | 0 | 108.3 | M251 I255 I276 L277 N287 V288 M289 M361 I363 | M251-I253 HydrophobicContact CG-CG1 4.03Å; M251-I253 HydrophobicContact SD-CD1 4.11Å; M251-I253 HydrophobicContact SD-CG1 3.96Å; I253-I255 HydrophobicContact CG2-CD1 4.5Å; I253-I255 HydrophobicContact CG2-CG1 3.99Å; I253-I276 HydrophobicContact CD1-CB 4.32Å; I253-I276 HydrophobicContact CD1-CG2 3.65Å; I253-I276 HydrophobicContact CG1-CG2 4.3Å; I253-L277 HydrophobicContact CD1-CD2 3.67Å; I253-L277 HydrophobicContact CD1-CG 4.06Å; I253-N287 PolarHBondContact N-O 3.14Å; I253-V288 HydrophobicContact CB-CG1 4.26Å; I253-V288 HydrophobicContact CB-CG2 4.21Å; I253-V288 HydrophobicContact CD1-CG2 4.2Å; I253-V288 HydrophobicContact CG1-CG2 4.49Å; I253-V288 WeakPolarHBondContact O-CA 3.23Å; I253-M289 PolarHBondContact O-N 2.75Å; I253-M289 VanDerWaalsContact O-O 3.14Å; I253-M361 CarbonylContact C-O 3.44Å; I253-M361 WeakPolarHBondContact CA-O 3.36Å; I253-M361 HydrophobicContact CB-CB 4.49Å; I253-M361 HydrophobicContact CG1-CB 4.23Å; I253-M361 HydrophobicContact CG2-CB 4.35Å; I253-I363 HydrophobicContact CG2-CD1 4.18Å |
| 254 | L | 96.7 | Very high | 92.5 | Very high | 0 Ų | 0 | 27 Ų | 27 | 0% | 0 | 15% | 0.148 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -96 | 117.6 | 171.8 | -70.6 | -172.8 | 0 | 0 | 0 | 109.6 | M289 F291 A335 V339 I360 M361 I362 I363 | L254-M289 WeakPolarHBondContact CA-O 3.35Å; L254-M289 HydrophobicContact CD2-CB 3.77Å; L254-M289 HydrophobicContact CD2-CG 4.36Å; L254-M289 HydrophobicContact CD2-SD 4.07Å; L254-F291 HydrophobicContact CB-CD1 4.16Å; L254-F291 HydrophobicContact CB-CE1 3.89Å; L254-A335 HydrophobicContact CD1-CB 4.11Å; L254-A335 HydrophobicContact CD2-CB 4.39Å; L254-V339 HydrophobicContact CD1-CG2 3.84Å; L254-V339 HydrophobicContact CD2-CG2 3.54Å; L254-V339 HydrophobicContact CG-CG2 3.84Å; L254-I360 HydrophobicContact CD1-CG2 4.14Å; L254-I360 HydrophobicContact CG-CG2 4.24Å; L254-M361 PolarHBondContact N-O 2.82Å; L254-I362 HydrophobicContact CB-CG1 4.32Å; L254-I362 HydrophobicContact CD1-CG1 4.26Å; L254-I362 WeakPolarHBondContact O-CA 3.31Å; L254-I363 PolarHBondContact O-N 2.86Å |
| 255 | I | 95.6 | Very high | 92.2 | Very high | 0 Ų | 0 | 28.1 Ų | 28.1 | 0% | 0 | 16% | 0.156 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.1 | 115 | 177.9 | -52.5 | -178.2 | 0 | 0 | 0 | 108.7 | I253 K257 S269 A273 V288 M289 M290 F291 F321 I363 | I253-I255 HydrophobicContact CG2-CD1 4.5Å; I253-I255 HydrophobicContact CG2-CG1 3.99Å; I255-K257 HydrophobicContact CG2-CD 4.21Å; I255-K257 HydrophobicContact CG2-CG 4.32Å; I255-K257 PolarHBondContact O-N 2.69Å; I255-S269 VanDerWaalsContact CG2-OG 3.29Å; I255-S269 WeakPolarHBondContact CG2-OG 3.35Å; I255-A273 HydrophobicContact CD1-CB 3.63Å; I255-A273 HydrophobicContact CG1-CB 4.44Å; I255-V288 HydrophobicContact CD1-CG1 3.6Å; I255-V288 HydrophobicContact CG1-CG1 4.05Å; I255-M289 PolarHBondContact N-O 3.49Å; I255-M290 HydrophobicContact CB-CG 4.31Å; I255-M290 WeakPolarHBondContact O-CA 3.37Å; I255-F291 WeakPolarHBondContact O-CD1 3.39Å; I255-F291 PolarHBondContact O-N 3.3Å; I255-F321 HydrophobicContact CD1-CD1 4.41Å; I255-F321 HydrophobicContact CD1-CE1 3.95Å; I255-F321 HydrophobicContact CD1-CZ 4.06Å; I255-I363 HydrophobicContact CG1-CD1 4.38Å |
| 256 | D | 93.8 | Very high | 92.2 | Very high | 0 Ų | 0 | 29.6 Ų | 29.6 | 0% | 0 | 16% | 0.164 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -62.5 | 122.1 | 169 | -172.2 | -18 | 0 | 0 | 0 | 108.8 | S258 M261 F291 I363 T364 | D256-S258 WeakPolarHBondContact OD1-CB 3.44Å; D256-S258 PolarHBondContact OD1-N 2.84Å; D256-S258 PolarHBondContact OD1-OG 3.26Å; D256-M261 HydrophobicContact CB-CG 4.19Å; D256-M261 HydrophobicContact CB-SD 4.09Å; D256-M261 VanDerWaalsContact O-CG 3.27Å; D256-M261 WeakPolarHBondContact O-CG 3.05Å; D256-F291 HydrophobicContact CB-CE1 4.06Å; D256-F291 HydrophobicContact CB-CE2 4.46Å; D256-F291 HydrophobicContact CB-CZ 3.83Å; D256-F291 VanDerWaalsContact N-CE1 3.32Å; D256-I363 WeakPolarHBondContact CB-O 3.27Å; D256-I363 PolarHBondContact N-O 3.25Å; D256-T364 PolarHBondContact OD2-OG1 2.97Å |
| 257 | K | 93.9 | Very high | 92.2 | Very high | 7 Ų | 7 | 33.8 Ų | 33.8 | 3% | 0.03 | 19% | 0.185 | C | C | . | . | trans | -123 | 29.6 | 173.8 | -69.2 | -61.2 | -167.3 | -169.4 | 0 | 110.5 | I255 D266 N270 M290 F291 P326 N327 | I255-K257 HydrophobicContact CG2-CD 4.21Å; I255-K257 HydrophobicContact CG2-CG 4.32Å; I255-K257 PolarHBondContact O-N 2.69Å; K257-D266 IonicContact NZ-OD1 2.77Å; K257-D266 PolarHBondContact NZ-OD1 3.29Å; K257-N270 PolarHBondContact NZ-OD1 3.29Å; K257-M290 HydrophobicContact CG-CB 3.91Å; K257-M290 HydrophobicContact CG-CG 4.19Å; K257-M290 HydrophobicContact CG-SD 4.17Å; K257-F291 PolarHBondContact N-O 2.82Å; K257-P326 HydrophobicContact CD-CG 4.3Å; K257-P326 CarbonylContact O-C 3.57Å; K257-P326 WeakPolarHBondContact O-CA 3.47Å; K257-P326 WeakPolarHBondContact O-CB 3.41Å; K257-N327 PolarHBondContact O-N 3.07Å; K257-N327 VanDerWaalsContact O-O 3.06Å | ||
| 258 | S | 92 | Very high | 92.3 | Very high | 3 Ų | 3 | 31.2 Ų | 31.2 | 2% | 0.021 | 18% | 0.176 | C | C | . | . | S | Bend | trans | -65.3 | 165.6 | 173.1 | 66.3 | 0 | 0 | 0 | 0 | 112.5 | D256 S260 M261 P326 N327 | D256-S258 WeakPolarHBondContact OD1-CB 3.44Å; D256-S258 PolarHBondContact OD1-N 2.84Å; D256-S258 PolarHBondContact OD1-OG 3.26Å; S258-S260 PolarHBondContact O-N 3.13Å; S258-S260 VanDerWaalsContact O-N 3.1Å; S258-S260 PolarHBondContact OG-OG 3.41Å; S258-S260 VanDerWaalsContact OG-OG 3.07Å; S258-M261 WeakPolarHBondContact O-CB 3.2Å; S258-M261 PolarHBondContact O-N 2.87Å; S258-P326 WeakPolarHBondContact O-CB 3.35Å; S258-N327 CarbonylContact C-O 2.7Å; S258-N327 WeakPolarHBondContact CA-O 3.45Å |
| 259 | G | 89.3 | Confident | 92.4 | Very high | 28 Ų | 28 | 28.9 Ų | 28.9 | 29% | 0.289 | 16% | 0.16 | S | C | . | . | G | 310 helix | trans | -58.6 | -24.2 | -179.1 | 0 | 0 | 0 | 0 | 0 | 114.9 | M261 K262 N327 G328 | G259-M261 VanDerWaalsContact C-N 3.29Å; G259-M261 PolarHBondContact O-N 2.85Å; G259-K262 WeakPolarHBondContact O-CG 3.22Å; G259-N327 PolarHBondContact N-O 2.78Å; G259-G328 PolarHBondContact N-O 3.21Å |
| 260 | S | 87.2 | Confident | 92.4 | Very high | 64 Ų | 64 | 30.2 Ų | 30.2 | 45% | 0.448 | 17% | 0.167 | S | C | . | . | G | 310 helix | trans | -73.8 | -19.7 | 177.8 | 59.2 | 0 | 0 | 0 | 0 | 113.3 | S258 K262 D365 | S258-S260 PolarHBondContact O-N 3.13Å; S258-S260 VanDerWaalsContact O-N 3.1Å; S258-S260 PolarHBondContact OG-OG 3.41Å; S258-S260 VanDerWaalsContact OG-OG 3.07Å; S260-K262 PolarHBondContact O-N 2.82Å; S260-D365 WeakPolarHBondContact CB-OD2 3.35Å; S260-D365 PolarHBondContact OG-OD1 3.49Å; S260-D365 PolarHBondContact OG-OD2 3.39Å |
| 261 | M | 90.7 | Very high | 92.3 | Very high | 0 Ų | 0 | 31.3 Ų | 31.3 | 0% | 0 | 18% | 0.178 | C | C | . | . | G | 310 helix | trans | -71 | -13.6 | 176.2 | -66.7 | -81.7 | 101.9 | 0 | 0 | 113.9 | D256 S258 G259 G263 S265 D266 P326 D365 L391 | D256-M261 HydrophobicContact CB-CG 4.19Å; D256-M261 HydrophobicContact CB-SD 4.09Å; D256-M261 VanDerWaalsContact O-CG 3.27Å; D256-M261 WeakPolarHBondContact O-CG 3.05Å; S258-M261 WeakPolarHBondContact O-CB 3.2Å; S258-M261 PolarHBondContact O-N 2.87Å; G259-M261 VanDerWaalsContact C-N 3.29Å; G259-M261 PolarHBondContact O-N 2.85Å; M261-G263 PolarHBondContact O-N 3.36Å; M261-S265 CarbonylContact O-C 3.5Å; M261-S265 WeakPolarHBondContact O-CB 3.34Å; M261-D266 VanDerWaalsContact O-CB 3.28Å; M261-D266 WeakPolarHBondContact O-CB 3.43Å; M261-D266 PolarHBondContact O-N 3.42Å; M261-P326 HydrophobicContact CB-CB 3.78Å; M261-P326 HydrophobicContact CB-CG 3.91Å; M261-D365 HydrophobicContact CE-CB 3.12Å; M261-D365 WeakPolarHBondContact CE-OD2 3.49Å; M261-L391 HydrophobicContact CE-CD1 4.47Å; M261-L391 HydrophobicContact SD-CD1 4.25Å |
| 262 | K | 88.7 | Confident | 92.3 | Very high | 142 Ų | 142 | 31.3 Ų | 31.3 | 62% | 0.617 | 18% | 0.178 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -56.1 | 136.5 | -175.3 | -72.9 | -177 | 180 | 179.6 | 0 | 112.6 | G259 S260 P326 | G259-K262 WeakPolarHBondContact O-CG 3.22Å; S260-K262 PolarHBondContact O-N 2.82Å; K262-P326 WeakPolarHBondContact CE-O 3.36Å; K262-P326 HydrophobicContact CG-CB 4.02Å; K262-P326 HydrophobicContact CG-CG 4.4Å |
| 263 | G | 88.7 | Confident | 92.2 | Very high | 48 Ų | 48 | 31.3 Ų | 31.3 | 50% | 0.495 | 18% | 0.178 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 90.1 | -124 | 175.9 | 0 | 0 | 0 | 0 | 0 | 112.5 | M261 S265 D266 I267 | M261-G263 PolarHBondContact O-N 3.36Å; G263-S265 PolarHBondContact O-N 2.99Å; G263-D266 PolarHBondContact O-N 3.34Å; G263-I267 PolarHBondContact O-N 3.04Å |
| 264 | R | 88.8 | Confident | 92.1 | Very high | 149 Ų | 149 | 32.3 Ų | 32.3 | 56% | 0.562 | 19% | 0.186 | S | C | * | . | H | α-helix | trans | -64 | -38.5 | -172.7 | -180 | 175 | 169.6 | 174.5 | -4.3 | 112.9 | D266 I267 I268 A416 | R264-D266 VanDerWaalsContact C-N 3.32Å; R264-D266 PolarHBondContact O-N 3.36Å; R264-I267 PolarHBondContact O-N 3.32Å; R264-I268 HydrophobicContact CG-CD1 3.86Å; R264-I268 HydrophobicContact CG-CG1 4.4Å; R264-I268 WeakPolarHBondContact O-CG1 3.22Å; R264-I268 PolarHBondContact O-N 2.71Å; R264-I268 VanDerWaalsContact O-N 3.1Å; R264-A416 PolarHBondContact NH2-O 3.18Å |
| 265 | S | 89.3 | Confident | 92 | Very high | 28 Ų | 28 | 33.6 Ų | 33.6 | 20% | 0.196 | 19% | 0.192 | C | C | . | . | H | α-helix | trans | -62.5 | -40.2 | -179.8 | -57.8 | 0 | 0 | 0 | 0 | 111.4 | M261 G263 I267 I268 S269 L391 | M261-S265 CarbonylContact O-C 3.5Å; M261-S265 WeakPolarHBondContact O-CB 3.34Å; G263-S265 PolarHBondContact O-N 2.99Å; S265-I267 PolarHBondContact O-N 2.96Å; S265-I268 PolarHBondContact O-N 3.11Å; S265-S269 WeakPolarHBondContact O-CB 3.38Å; S265-S269 PolarHBondContact O-N 3.11Å; S265-L391 WeakPolarHBondContact O-CD1 3.16Å |
| 266 | D | 91.5 | Very high | 92 | Very high | 30 Ų | 30 | 33.6 Ų | 33.6 | 16% | 0.16 | 19% | 0.192 | C | C | . | . | H | α-helix | trans | -62 | -42.6 | 176.4 | -172.1 | 59.1 | 0 | 0 | 0 | 112.6 | K257 M261 G263 R264 S269 N270 P326 | K257-D266 IonicContact NZ-OD1 2.77Å; K257-D266 PolarHBondContact NZ-OD1 3.29Å; M261-D266 VanDerWaalsContact O-CB 3.28Å; M261-D266 WeakPolarHBondContact O-CB 3.43Å; M261-D266 PolarHBondContact O-N 3.42Å; G263-D266 PolarHBondContact O-N 3.34Å; R264-D266 VanDerWaalsContact C-N 3.32Å; R264-D266 PolarHBondContact O-N 3.36Å; D266-S269 WeakPolarHBondContact O-CB 3.42Å; D266-S269 PolarHBondContact O-N 3.2Å; D266-N270 WeakPolarHBondContact O-CB 3.36Å; D266-N270 VanDerWaalsContact O-CG 3.23Å; D266-N270 PolarHBondContact O-N 2.78Å; D266-N270 PolarHBondContact O-ND2 3.17Å; D266-N270 PolarHBondContact OD2-ND2 3.21Å; D266-P326 HydrophobicContact CB-CG 4.04Å; D266-P326 WeakPolarHBondContact OD1-CG 3.38Å |
| 267 | I | 91 | Very high | 92.1 | Very high | 93 Ų | 93 | 33.6 Ų | 33.6 | 48% | 0.477 | 19% | 0.192 | S | C | . | . | H | α-helix | trans | -62.3 | -47.5 | 177.4 | -61.8 | 170.1 | 0 | 0 | 0 | 110.5 | G263 R264 S265 S269 A271 | G263-I267 PolarHBondContact O-N 3.04Å; R264-I267 PolarHBondContact O-N 3.32Å; S265-I267 PolarHBondContact O-N 2.96Å; I267-S269 VanDerWaalsContact C-N 3.33Å; I267-A271 WeakPolarHBondContact O-CB 3.46Å; I267-A271 PolarHBondContact O-N 2.9Å |
| 268 | I | 91.8 | Very high | 92 | Very high | 7 Ų | 7 | 36.6 Ų | 36.6 | 4% | 0.036 | 21% | 0.208 | C | C | . | . | H | α-helix | trans | -66.6 | -38.6 | 178.4 | -62.2 | 172.8 | 0 | 0 | 0 | 110.4 | R264 S265 A271 T272 L391 I415 V421 | R264-I268 HydrophobicContact CG-CD1 3.86Å; R264-I268 HydrophobicContact CG-CG1 4.4Å; R264-I268 WeakPolarHBondContact O-CG1 3.22Å; R264-I268 PolarHBondContact O-N 2.71Å; R264-I268 VanDerWaalsContact O-N 3.1Å; S265-I268 PolarHBondContact O-N 3.11Å; I268-A271 PolarHBondContact O-N 2.99Å; I268-T272 VanDerWaalsContact O-CB 3.28Å; I268-T272 WeakPolarHBondContact O-CB 3.43Å; I268-T272 PolarHBondContact O-N 3.31Å; I268-T272 PolarHBondContact O-OG1 2.7Å; I268-L391 HydrophobicContact CG2-CD2 3.77Å; I268-I415 HydrophobicContact CG2-CB 4.41Å; I268-I415 HydrophobicContact CG2-CG2 3.54Å; I268-V421 HydrophobicContact CG2-CG2 4.06Å |
| 269 | S | 93.6 | Very high | 92.1 | Very high | 0 Ų | 0 | 36.4 Ų | 36.4 | 0% | 0 | 21% | 0.207 | C | C | . | . | H | α-helix | trans | -59.6 | -51 | 177.2 | -177.4 | 0 | 0 | 0 | 0 | 111.2 | I255 S265 D266 I267 A271 T272 A273 I363 | I255-S269 VanDerWaalsContact CG2-OG 3.29Å; I255-S269 WeakPolarHBondContact CG2-OG 3.35Å; S265-S269 WeakPolarHBondContact O-CB 3.38Å; S265-S269 PolarHBondContact O-N 3.11Å; D266-S269 WeakPolarHBondContact O-CB 3.42Å; D266-S269 PolarHBondContact O-N 3.2Å; I267-S269 VanDerWaalsContact C-N 3.33Å; S269-A271 PolarHBondContact O-N 3.48Å; S269-T272 PolarHBondContact O-N 3Å; S269-A273 WeakPolarHBondContact O-CB 3.45Å; S269-A273 PolarHBondContact O-N 3.35Å; S269-I363 WeakPolarHBondContact OG-CG2 3.35Å |
| 270 | N | 92.8 | Very high | 92.3 | Very high | 30 Ų | 30 | 35.2 Ų | 35.2 | 16% | 0.16 | 19% | 0.194 | C | C | . | . | H | α-helix | trans | -62.4 | -42.9 | 177.9 | -67.6 | -20.5 | 0 | 0 | 0 | 111.7 | K257 D266 T272 A273 A274 F321 | K257-N270 PolarHBondContact NZ-OD1 3.29Å; D266-N270 WeakPolarHBondContact O-CB 3.36Å; D266-N270 VanDerWaalsContact O-CG 3.23Å; D266-N270 PolarHBondContact O-N 2.78Å; D266-N270 PolarHBondContact O-ND2 3.17Å; D266-N270 PolarHBondContact OD2-ND2 3.21Å; N270-T272 VanDerWaalsContact C-N 3.34Å; N270-A273 PolarHBondContact O-N 2.93Å; N270-A274 WeakPolarHBondContact O-CB 3.42Å; N270-A274 PolarHBondContact O-N 2.94Å; N270-F321 HydrophobicContact CB-CD2 4.44Å |
| 271 | A | 92.4 | Very high | 92.6 | Very high | 29 Ų | 29 | 32.5 Ų | 32.5 | 24% | 0.24 | 18% | 0.175 | C | C | . | . | H | α-helix | trans | -64.4 | -38.8 | 176.2 | 0 | 0 | 0 | 0 | 0 | 112.3 | I267 I268 S269 A274 E275 L418 | I267-A271 WeakPolarHBondContact O-CB 3.46Å; I267-A271 PolarHBondContact O-N 2.9Å; I268-A271 PolarHBondContact O-N 2.99Å; S269-A271 PolarHBondContact O-N 3.48Å; A271-A274 PolarHBondContact O-N 3.07Å; A271-E275 WeakPolarHBondContact O-CB 3.13Å; A271-E275 PolarHBondContact O-N 3.44Å; A271-L418 HydrophobicContact CB-CD1 3.34Å |
| 272 | T | 95.4 | Very high | 92.6 | Very high | 0 Ų | 0 | 33.3 Ų | 33.3 | 0% | 0 | 18% | 0.178 | C | C | . | . | H | α-helix | trans | -65.3 | -46.2 | 176.3 | -56.9 | 0 | 0 | 0 | 0 | 110.8 | I268 S269 N270 A274 E275 I276 I363 Y389 I415 V425 | I268-T272 VanDerWaalsContact O-CB 3.28Å; I268-T272 WeakPolarHBondContact O-CB 3.43Å; I268-T272 PolarHBondContact O-N 3.31Å; I268-T272 PolarHBondContact O-OG1 2.7Å; S269-T272 PolarHBondContact O-N 3Å; N270-T272 VanDerWaalsContact C-N 3.34Å; T272-A274 PolarHBondContact O-N 3.21Å; T272-E275 PolarHBondContact O-N 3.05Å; T272-I276 HydrophobicContact CG2-CD1 4.08Å; T272-I276 VanDerWaalsContact O-CG1 3.28Å; T272-I276 WeakPolarHBondContact O-CG1 3.47Å; T272-I276 PolarHBondContact O-N 3.34Å; T272-I363 HydrophobicContact CG2-CD1 3.94Å; T272-I363 HydrophobicContact CG2-CG1 4.17Å; T272-Y389 HydrophobicContact CG2-CD1 4.06Å; T272-Y389 HydrophobicContact CG2-CG 4.01Å; T272-I415 HydrophobicContact CG2-CD1 3.66Å; T272-I415 WeakPolarHBondContact OG1-CD1 3.47Å; T272-V425 HydrophobicContact CG2-CG2 3.94Å |
| 273 | A | 95.7 | Very high | 92.8 | Very high | 0 Ų | 0 | 28.1 Ų | 28.1 | 0% | 0 | 16% | 0.158 | C | C | . | . | H | α-helix | trans | -61 | -44.7 | 176.3 | 0 | 0 | 0 | 0 | 0 | 111.8 | I255 S269 N270 E275 I276 L277 F321 I363 | I255-A273 HydrophobicContact CD1-CB 3.63Å; I255-A273 HydrophobicContact CG1-CB 4.44Å; S269-A273 WeakPolarHBondContact O-CB 3.45Å; S269-A273 PolarHBondContact O-N 3.35Å; N270-A273 PolarHBondContact O-N 2.93Å; A273-E275 PolarHBondContact O-N 3.14Å; A273-I276 PolarHBondContact O-N 3.33Å; A273-L277 WeakPolarHBondContact O-CG 3.42Å; A273-L277 PolarHBondContact O-N 3.4Å; A273-F321 HydrophobicContact CB-CD2 4.34Å; A273-F321 HydrophobicContact CB-CE2 3.51Å; A273-F321 HydrophobicContact CB-CZ 3.79Å; A273-I363 HydrophobicContact CB-CD1 3.78Å |
| 274 | A | 94.3 | Very high | 93 | Very high | 20 Ų | 20 | 25.9 Ų | 25.9 | 17% | 0.165 | 13% | 0.134 | C | C | . | . | H | α-helix | trans | -61.1 | -42.8 | 176.4 | 0 | 0 | 0 | 0 | 0 | 112.1 | N270 A271 T272 L277 N278 I318 | N270-A274 WeakPolarHBondContact O-CB 3.42Å; N270-A274 PolarHBondContact O-N 2.94Å; A271-A274 PolarHBondContact O-N 3.07Å; T272-A274 PolarHBondContact O-N 3.21Å; A274-L277 PolarHBondContact O-N 3.49Å; A274-N278 VanDerWaalsContact O-CG 3.28Å; A274-N278 PolarHBondContact O-N 3.16Å; A274-N278 PolarHBondContact O-ND2 3.1Å; A274-I318 HydrophobicContact CB-CD1 4.07Å; A274-I318 HydrophobicContact CB-CG1 4.22Å |
| 275 | E | 94.5 | Very high | 93.3 | Very high | 27 Ų | 27 | 22.5 Ų | 22.5 | 13% | 0.126 | 12% | 0.122 | C | C | . | . | H | α-helix | trans | -69.7 | -36.3 | 178.8 | -170.6 | 61.3 | -168.4 | 0 | 0 | 112.4 | A271 T272 A273 L277 N278 T279 V421 K422 V425 | A271-E275 WeakPolarHBondContact O-CB 3.13Å; A271-E275 PolarHBondContact O-N 3.44Å; T272-E275 PolarHBondContact O-N 3.05Å; A273-E275 PolarHBondContact O-N 3.14Å; E275-L277 VanDerWaalsContact C-N 3.33Å; E275-L277 PolarHBondContact O-N 3.42Å; E275-N278 WeakPolarHBondContact O-CB 3.31Å; E275-N278 PolarHBondContact O-N 3.29Å; E275-N278 PolarHBondContact OE2-ND2 3.03Å; E275-T279 WeakPolarHBondContact O-CG2 3.31Å; E275-T279 PolarHBondContact O-N 3.22Å; E275-V421 HydrophobicContact CB-CG1 3.97Å; E275-V421 HydrophobicContact CG-CG1 4.43Å; E275-K422 HydrophobicContact CG-CB 4.34Å; E275-K422 HydrophobicContact CG-CG 4.45Å; E275-K422 WeakPolarHBondContact OE1-CD 3.18Å; E275-K422 WeakPolarHBondContact OE1-CE 3.32Å; E275-K422 WeakPolarHBondContact OE1-CG 3.21Å; E275-V425 HydrophobicContact CB-CG2 4.27Å; E275-V425 HydrophobicContact CG-CB 4.08Å; E275-V425 HydrophobicContact CG-CG1 4.08Å; E275-V425 HydrophobicContact CG-CG2 4.27Å |
| 276 | I | 96.2 | Very high | 93.6 | Very high | 0 Ų | 0 | 21.1 Ų | 21.1 | 0% | 0 | 11% | 0.113 | C | C | . | . | H | α-helix | trans | -59.5 | -47.2 | 171.7 | -69 | 167.7 | 0 | 0 | 0 | 110 | M251 I253 T272 A273 N278 T279 M361 I363 Y389 V425 | M251-I276 HydrophobicContact CE-CG2 4.25Å; M251-I276 HydrophobicContact SD-CG2 3.44Å; M251-I276 WeakPolarHBondContact SD-CG2 3.49Å; I253-I276 HydrophobicContact CD1-CB 4.32Å; I253-I276 HydrophobicContact CD1-CG2 3.65Å; I253-I276 HydrophobicContact CG1-CG2 4.3Å; T272-I276 HydrophobicContact CG2-CD1 4.08Å; T272-I276 VanDerWaalsContact O-CG1 3.28Å; T272-I276 WeakPolarHBondContact O-CG1 3.47Å; T272-I276 PolarHBondContact O-N 3.34Å; A273-I276 PolarHBondContact O-N 3.33Å; I276-N278 VanDerWaalsContact C-N 3.26Å; I276-N278 PolarHBondContact O-N 3.05Å; I276-T279 WeakPolarHBondContact O-CB 3.34Å; I276-T279 PolarHBondContact O-N 3.36Å; I276-T279 PolarHBondContact O-OG1 2.81Å; I276-M361 HydrophobicContact CD1-CB 4.31Å; I276-M361 HydrophobicContact CG2-CG 4.23Å; I276-I363 HydrophobicContact CD1-CD1 4Å; I276-I363 HydrophobicContact CD1-CG1 4.34Å; I276-Y389 HydrophobicContact CD1-CD2 3.92Å; I276-Y389 HydrophobicContact CD1-CE2 3.45Å; I276-Y389 VanDerWaalsContact CD1-CE2 3.45Å; I276-Y389 HydrophobicContact CG1-CE2 4.29Å; I276-V425 HydrophobicContact CB-CG1 4.42Å; I276-V425 HydrophobicContact CG1-CB 4.49Å; I276-V425 HydrophobicContact CG1-CG1 3.74Å; I276-V425 HydrophobicContact CG1-CG2 3.91Å |
| 277 | L | 95.6 | Very high | 93.9 | Very high | 0 Ų | 0 | 19.7 Ų | 19.7 | 0% | 0 | 11% | 0.105 | C | C | . | . | H | α-helix | trans | -59.4 | -38.1 | 176.5 | -68.8 | 175.2 | 0 | 0 | 0 | 111.7 | I253 A273 A274 E275 T279 L280 F286 V288 K314 M317 I318 F321 | I253-L277 HydrophobicContact CD1-CD2 3.67Å; I253-L277 HydrophobicContact CD1-CG 4.06Å; A273-L277 WeakPolarHBondContact O-CG 3.42Å; A273-L277 PolarHBondContact O-N 3.4Å; A274-L277 PolarHBondContact O-N 3.49Å; E275-L277 VanDerWaalsContact C-N 3.33Å; E275-L277 PolarHBondContact O-N 3.42Å; L277-T279 PolarHBondContact O-N 3.26Å; L277-L280 HydrophobicContact CD2-CD1 3.98Å; L277-L280 WeakPolarHBondContact O-CB 3.39Å; L277-L280 PolarHBondContact O-N 3.38Å; L277-F286 HydrophobicContact CD2-CD2 3.38Å; L277-F286 HydrophobicContact CD2-CE2 3.26Å; L277-F286 HydrophobicContact CD2-CG 4.09Å; L277-F286 HydrophobicContact CD2-CZ 3.89Å; L277-V288 HydrophobicContact CD2-CG2 4.42Å; L277-K314 HydrophobicContact CB-CB 4.48Å; L277-K314 HydrophobicContact CB-CD 4.24Å; L277-K314 HydrophobicContact CB-CG 4.22Å; L277-K314 WeakPolarHBondContact O-CD 3.35Å; L277-M317 HydrophobicContact CD1-CB 4.34Å; L277-I318 HydrophobicContact CD1-CD1 4.31Å; L277-I318 HydrophobicContact CD1-CG1 3.78Å; L277-F321 HydrophobicContact CD1-CE2 4.43Å; L277-F321 HydrophobicContact CD1-CZ 4Å |
| 278 | N | 92.5 | Very high | 94.2 | Very high | 70 Ų | 70 | 15.3 Ų | 15.3 | 37% | 0.374 | 8% | 0.082 | S | C | . | . | H | α-helix | trans | -63.5 | -19.5 | 175.8 | -70.3 | -26.4 | 0 | 0 | 0 | 113.8 | A274 E275 I276 L280 | A274-N278 VanDerWaalsContact O-CG 3.28Å; A274-N278 PolarHBondContact O-N 3.16Å; A274-N278 PolarHBondContact O-ND2 3.1Å; E275-N278 WeakPolarHBondContact O-CB 3.31Å; E275-N278 PolarHBondContact O-N 3.29Å; E275-N278 PolarHBondContact OE2-ND2 3.03Å; I276-N278 VanDerWaalsContact C-N 3.26Å; I276-N278 PolarHBondContact O-N 3.05Å; N278-L280 VanDerWaalsContact C-N 3.31Å |
| 279 | T | 93.8 | Very high | 94.4 | Very high | 0 Ų | 0 | 15 Ų | 15 | 0% | 0 | 8% | 0.08 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -83.7 | -2.1 | 172.9 | 72.7 | 0 | 0 | 0 | 0 | 114.3 | L242 E275 I276 L277 V425 L426 Y428 | L242-T279 WeakPolarHBondContact CD1-O 3.3Å; E275-T279 WeakPolarHBondContact O-CG2 3.31Å; E275-T279 PolarHBondContact O-N 3.22Å; I276-T279 WeakPolarHBondContact O-CB 3.34Å; I276-T279 PolarHBondContact O-N 3.36Å; I276-T279 PolarHBondContact O-OG1 2.81Å; L277-T279 PolarHBondContact O-N 3.26Å; T279-V425 HydrophobicContact CG2-CG1 3.92Å; T279-L426 HydrophobicContact CG2-CD2 3.84Å; T279-Y428 HydrophobicContact CG2-CE1 4.28Å; T279-Y428 WeakPolarHBondContact OG1-CE1 3.17Å; T279-Y428 PolarHBondContact OG1-OH 3.24Å |
| 280 | L | 94.7 | Very high | 94.4 | Very high | 2 Ų | 2 | 15.2 Ų | 15.2 | 1% | 0.01 | 8% | 0.082 | C | C | . | . | trans | -93.4 | 140.5 | 177.2 | -57.3 | -179.7 | 0 | 0 | 0 | 111.5 | M251 L277 N278 D284 F286 K314 | M251-L280 HydrophobicContact CE-CD2 3.66Å; M251-L280 HydrophobicContact SD-CD1 4.31Å; M251-L280 HydrophobicContact SD-CD2 3.99Å; L277-L280 HydrophobicContact CD2-CD1 3.98Å; L277-L280 WeakPolarHBondContact O-CB 3.39Å; L277-L280 PolarHBondContact O-N 3.38Å; N278-L280 VanDerWaalsContact C-N 3.31Å; L280-D284 HydrophobicContact CB-CB 4.27Å; L280-D284 HydrophobicContact CD2-CB 4.09Å; L280-F286 HydrophobicContact CD1-CB 3.6Å; L280-F286 HydrophobicContact CD1-CD1 3.77Å; L280-F286 HydrophobicContact CD1-CD2 4.34Å; L280-F286 HydrophobicContact CD1-CG 3.64Å; L280-K314 PolarHBondContact O-NZ 3.49Å | ||
| 281 | T | 92.9 | Very high | 94.5 | Very high | 8 Ų | 8 | 13.8 Ų | 13.8 | 5% | 0.049 | 7% | 0.074 | C | C | . | . | trans | -108.2 | 174.1 | -178.8 | 68.4 | 0 | 0 | 0 | 0 | 110.5 | L242 Q243 N283 D284 G309 | L242-T281 HydrophobicContact CB-CG2 3.62Å; L242-T281 HydrophobicContact CD1-CG2 4.1Å; Q243-T281 HydrophobicContact CG-CG2 3.72Å; T281-N283 PolarHBondContact O-N 3.02Å; T281-D284 WeakPolarHBondContact CB-OD2 3.44Å; T281-D284 PolarHBondContact N-OD2 3.45Å; T281-D284 PolarHBondContact O-N 3.49Å; T281-D284 VanDerWaalsContact O-N 3.08Å; T281-D284 PolarHBondContact OG1-OD2 3.11Å; T281-G309 WeakPolarHBondContact O-CA 3.49Å | ||
| 282 | E | 91.2 | Very high | 94.5 | Very high | 16 Ų | 16 | 13 Ų | 13 | 8% | 0.075 | 7% | 0.066 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -63.4 | -23.2 | 179.4 | -58.6 | 85.7 | -171 | 0 | 0 | 113.5 | D284 Q308 F566 N587 | E282-D284 VanDerWaalsContact C-N 3.3Å; E282-Q308 WeakPolarHBondContact O-CG 3.13Å; E282-Q308 PolarHBondContact O-NE2 2.79Å; E282-F566 HydrophobicContact CB-CD2 4.46Å; E282-F566 HydrophobicContact CB-CE2 4.01Å; E282-F566 HydrophobicContact CG-CD2 4.18Å; E282-F566 HydrophobicContact CG-CE2 3.86Å; E282-N587 VanDerWaalsContact CG-ND2 3.31Å; E282-N587 WeakPolarHBondContact CG-ND2 3.42Å |
| 283 | N | 91.8 | Very high | 94.3 | Very high | 34 Ų | 34 | 17.1 Ų | 17.1 | 18% | 0.182 | 9% | 0.089 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -84.2 | -7.5 | 178.6 | -65.4 | -37.8 | 0 | 0 | 0 | 112.9 | P248 T281 N563 N564 | P248-N283 HydrophobicContact CG-CB 4.36Å; T281-N283 PolarHBondContact O-N 3.02Å; N283-N563 PolarHBondContact OD1-ND2 2.79Å; N283-N564 PolarHBondContact OD1-ND2 2.95Å |
| 284 | D | 93.9 | Very high | 94.1 | Very high | 1 Ų | 1 | 19.6 Ų | 19.6 | 1% | 0.005 | 11% | 0.106 | C | C | . | . | trans | -92.3 | 153.2 | 178.5 | -58.5 | -58.8 | 0 | 0 | 0 | 111.1 | P248 K249 L280 T281 E282 Q308 G309 | P248-D284 WeakPolarHBondContact CA-OD1 3.48Å; K249-D284 HydrophobicContact CB-CB 4.41Å; K249-D284 WeakPolarHBondContact CB-OD1 3.34Å; K249-D284 WeakPolarHBondContact CE-OD1 3.41Å; K249-D284 PolarHBondContact N-OD1 2.98Å; K249-D284 IonicContact NZ-OD1 3.54Å; K249-D284 PolarHBondContact NZ-OD1 2.95Å; K249-D284 IonicContact NZ-OD2 3.66Å; K249-D284 PolarHBondContact NZ-OD2 2.79Å; K249-D284 WeakPolarHBondContact O-CA 3.41Å; L280-D284 HydrophobicContact CB-CB 4.27Å; L280-D284 HydrophobicContact CD2-CB 4.09Å; T281-D284 WeakPolarHBondContact CB-OD2 3.44Å; T281-D284 PolarHBondContact N-OD2 3.45Å; T281-D284 PolarHBondContact O-N 3.49Å; T281-D284 VanDerWaalsContact O-N 3.08Å; T281-D284 PolarHBondContact OG1-OD2 3.11Å; E282-D284 VanDerWaalsContact C-N 3.3Å; D284-Q308 CarbonylContact O-C 3.48Å; D284-G309 PolarHBondContact O-N 3.03Å | ||
| 285 | Y | 94.4 | Very high | 94 | Very high | 77 Ų | 77 | 20 Ų | 20 | 30% | 0.302 | 11% | 0.107 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -123 | 141.8 | 175 | -67.4 | -95.8 | 0 | 0 | 0 | 110.3 | K249 E250 M251 I307 Q308 | K249-Y285 PolarHBondContact O-N 2.9Å; E250-Y285 CarbonylContact C-O 3.59Å; E250-Y285 WeakPolarHBondContact CA-O 3.32Å; M251-Y285 PolarHBondContact N-O 2.89Å; Y285-I307 CarbonylContact C-O 3.53Å; Y285-I307 VanDerWaalsContact CA-O 3.27Å; Y285-I307 WeakPolarHBondContact CA-O 3.14Å; Y285-Q308 HydrophobicContact CD1-CB 4.27Å; Y285-Q308 HydrophobicContact CE1-CB 4Å; Y285-Q308 HydrophobicContact CE1-CG 4.37Å |
| 286 | F | 96.4 | Very high | 94 | Very high | 0 Ų | 0 | 23.1 Ų | 23.1 | 0% | 0 | 12% | 0.122 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -147.3 | 163.1 | -177.9 | 77.6 | -77.1 | 0 | 0 | 0 | 114.1 | M251 L277 L280 V288 I307 N313 K314 M317 | M251-F286 HydrophobicContact CB-CB 4.3Å; M251-F286 CarbonylContact O-C 3.6Å; M251-F286 WeakPolarHBondContact O-CA 3.45Å; M251-F286 WeakPolarHBondContact O-CB 3.23Å; L277-F286 HydrophobicContact CD2-CD2 3.38Å; L277-F286 HydrophobicContact CD2-CE2 3.26Å; L277-F286 HydrophobicContact CD2-CG 4.09Å; L277-F286 HydrophobicContact CD2-CZ 3.89Å; L280-F286 HydrophobicContact CD1-CB 3.6Å; L280-F286 HydrophobicContact CD1-CD1 3.77Å; L280-F286 HydrophobicContact CD1-CD2 4.34Å; L280-F286 HydrophobicContact CD1-CG 3.64Å; F286-V288 HydrophobicContact CD2-CG2 4.01Å; F286-V288 HydrophobicContact CE2-CG2 4.05Å; F286-I307 HydrophobicContact CD1-CG1 4.25Å; F286-I307 WeakPolarHBondContact CD1-O 3.31Å; F286-I307 HydrophobicContact CE1-CD1 4.21Å; F286-I307 HydrophobicContact CE1-CG1 3.94Å; F286-I307 HydrophobicContact CE2-CD1 4.42Å; F286-I307 HydrophobicContact CE2-CG1 4.48Å; F286-I307 HydrophobicContact CZ-CD1 3.93Å; F286-I307 HydrophobicContact CZ-CG1 4.07Å; F286-I307 PolarHBondContact N-O 3.05Å; F286-I307 VanDerWaalsContact O-CG1 3.25Å; F286-I307 WeakPolarHBondContact O-CG1 3.48Å; F286-I307 PolarHBondContact O-N 3.31Å; F286-N313 HydrophobicContact CE1-CB 4.33Å; F286-N313 HydrophobicContact CZ-CB 4.38Å; F286-K314 HydrophobicContact CE1-CG 4.15Å; F286-K314 HydrophobicContact CZ-CG 4.1Å; F286-M317 HydrophobicContact CE2-CB 4.33Å; F286-M317 HydrophobicContact CE2-CG 3.83Å; F286-M317 HydrophobicContact CZ-CG 4.09Å |
| 287 | N | 96.8 | Very high | 93.9 | Very high | 0 Ų | 0 | 24.1 Ų | 24.1 | 0% | 0 | 13% | 0.126 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -146.7 | 156.9 | 161.7 | -156.2 | -26 | 0 | 0 | 0 | 108.8 | M251 I252 I253 I302 R305 L306 L342 | M251-N287 PolarHBondContact O-N 3.18Å; I252-N287 WeakPolarHBondContact CA-O 3.3Å; I253-N287 PolarHBondContact N-O 3.14Å; N287-I302 PolarHBondContact ND2-O 3.05Å; N287-I302 VanDerWaalsContact ND2-O 3.13Å; N287-R305 PolarHBondContact ND2-O 2.6Å; N287-L306 HydrophobicContact CB-CD2 3.78Å; N287-L342 HydrophobicContact CB-CD2 3.98Å |
| 288 | V | 97.4 | Very high | 93.7 | Very high | 0 Ų | 0 | 24.1 Ų | 24.1 | 0% | 0 | 13% | 0.126 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.1 | 127 | -178.2 | -174 | 0 | 0 | 0 | 0 | 108.6 | I253 I255 L277 F286 A298 F321 | I253-V288 HydrophobicContact CB-CG1 4.26Å; I253-V288 HydrophobicContact CB-CG2 4.21Å; I253-V288 HydrophobicContact CD1-CG2 4.2Å; I253-V288 HydrophobicContact CG1-CG2 4.49Å; I253-V288 WeakPolarHBondContact O-CA 3.23Å; I255-V288 HydrophobicContact CD1-CG1 3.6Å; I255-V288 HydrophobicContact CG1-CG1 4.05Å; L277-V288 HydrophobicContact CD2-CG2 4.42Å; F286-V288 HydrophobicContact CD2-CG2 4.01Å; F286-V288 HydrophobicContact CE2-CG2 4.05Å; V288-A298 HydrophobicContact CB-CB 3.71Å; V288-A298 HydrophobicContact CG1-CB 3.97Å; V288-A298 VanDerWaalsContact O-CB 3.29Å; V288-A298 WeakPolarHBondContact O-CB 3.23Å; V288-A298 PolarHBondContact O-N 2.99Å; V288-F321 HydrophobicContact CG1-CE1 3.97Å; V288-F321 HydrophobicContact CG1-CZ 4.41Å |
| 289 | M | 96 | Very high | 93.6 | Very high | 0 Ų | 0 | 21.3 Ų | 21.3 | 0% | 0 | 11% | 0.111 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.8 | 142.3 | 172.1 | -49.6 | 174.4 | -178.5 | 0 | 0 | 109.3 | I252 I253 L254 I255 T295 M296 Y297 E338 V339 L342 | I252-M289 HydrophobicContact CG2-CE 4.12Å; I252-M289 HydrophobicContact CG2-CG 4.32Å; I252-M289 HydrophobicContact CG2-SD 4.24Å; I253-M289 PolarHBondContact O-N 2.75Å; I253-M289 VanDerWaalsContact O-O 3.14Å; L254-M289 WeakPolarHBondContact CA-O 3.35Å; L254-M289 HydrophobicContact CD2-CB 3.77Å; L254-M289 HydrophobicContact CD2-CG 4.36Å; L254-M289 HydrophobicContact CD2-SD 4.07Å; I255-M289 PolarHBondContact N-O 3.49Å; M289-T295 HydrophobicContact CB-CG2 4.03Å; M289-T295 HydrophobicContact SD-CG2 4.09Å; M289-M296 CarbonylContact C-O 3.58Å; M289-M296 VanDerWaalsContact CA-O 3.28Å; M289-M296 WeakPolarHBondContact CA-O 3Å; M289-Y297 HydrophobicContact CE-CD1 4.4Å; M289-Y297 HydrophobicContact CE-CE1 3.61Å; M289-Y297 HydrophobicContact CG-CD1 4.27Å; M289-Y297 HydrophobicContact CG-CE1 4.36Å; M289-E338 HydrophobicContact CE-CG 4.44Å; M289-E338 HydrophobicContact SD-CG 4.28Å; M289-V339 HydrophobicContact CE-CG2 4.38Å; M289-V339 HydrophobicContact SD-CG2 3.88Å; M289-L342 HydrophobicContact CE-CB 3.77Å; M289-L342 HydrophobicContact CE-CD2 3.47Å; M289-L342 VanDerWaalsContact CE-CD2 3.47Å; M289-L342 HydrophobicContact CE-CG 4.22Å |
| 290 | M | 94.5 | Very high | 93.3 | Very high | 5 Ų | 5 | 25.9 Ų | 25.9 | 3% | 0.025 | 14% | 0.141 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.6 | 140 | 173 | -59.9 | -179.4 | -171.5 | 0 | 0 | 108.3 | I255 K257 M296 A298 F321 F324 | I255-M290 HydrophobicContact CB-CG 4.31Å; I255-M290 WeakPolarHBondContact O-CA 3.37Å; K257-M290 HydrophobicContact CG-CB 3.91Å; K257-M290 HydrophobicContact CG-CG 4.19Å; K257-M290 HydrophobicContact CG-SD 4.17Å; M290-M296 PolarHBondContact N-O 3.44Å; M290-M296 PolarHBondContact O-N 2.82Å; M290-A298 HydrophobicContact CE-CB 4.09Å; M290-F321 HydrophobicContact CE-CD1 3.43Å; M290-F321 VanDerWaalsContact CE-CD1 3.43Å; M290-F321 HydrophobicContact CE-CE1 4.05Å; M290-F321 HydrophobicContact CE-CG 4.37Å; M290-F324 HydrophobicContact CE-CB 4.49Å; M290-F324 HydrophobicContact CE-CD2 3.75Å; M290-F324 HydrophobicContact CE-CE2 4.34Å; M290-F324 HydrophobicContact CE-CG 4.37Å; M290-F324 HydrophobicContact SD-CB 3.45Å; M290-F324 WeakPolarHBondContact SD-CB 3.4Å; M290-F324 HydrophobicContact SD-CD1 4.16Å; M290-F324 HydrophobicContact SD-CD2 3.33Å; M290-F324 WeakPolarHBondContact SD-CD2 3.5Å; M290-F324 HydrophobicContact SD-CE2 4.06Å; M290-F324 HydrophobicContact SD-CG 3.38Å; M290-F324 WeakPolarHBondContact SD-CG 3.08Å |
| 291 | F | 94.4 | Very high | 92.8 | Very high | 1 Ų | 1 | 32.1 Ų | 32.1 | 0% | 0.004 | 17% | 0.173 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -133.6 | 135.3 | -180 | 69.9 | -77.8 | 0 | 0 | 0 | 112.2 | L254 I255 D256 K257 S294 T295 A330 Y332 A335 | L254-F291 HydrophobicContact CB-CD1 4.16Å; L254-F291 HydrophobicContact CB-CE1 3.89Å; I255-F291 WeakPolarHBondContact O-CD1 3.39Å; I255-F291 PolarHBondContact O-N 3.3Å; D256-F291 HydrophobicContact CB-CE1 4.06Å; D256-F291 HydrophobicContact CB-CE2 4.46Å; D256-F291 HydrophobicContact CB-CZ 3.83Å; D256-F291 VanDerWaalsContact N-CE1 3.32Å; K257-F291 PolarHBondContact N-O 2.82Å; F291-S294 WeakPolarHBondContact CA-O 3.31Å; F291-T295 HydrophobicContact CB-CG2 4.45Å; F291-A330 HydrophobicContact CD2-CB 4.43Å; F291-A330 HydrophobicContact CE2-CB 3.97Å; F291-Y332 HydrophobicContact CE2-CD1 4.3Å; F291-Y332 HydrophobicContact CE2-CD2 4.09Å; F291-Y332 HydrophobicContact CE2-CE1 4.21Å; F291-Y332 AromaticContact CE2-CE2 3.99Å; F291-Y332 HydrophobicContact CE2-CE2 3.99Å; F291-Y332 HydrophobicContact CE2-CG 4.24Å; F291-Y332 HydrophobicContact CZ-CD1 4.39Å; F291-Y332 AromaticContact CZ-CE1 3.97Å; F291-Y332 HydrophobicContact CZ-CE1 3.97Å; F291-Y332 HydrophobicContact CZ-CE2 4.36Å; F291-Y332 AromaticContact CZ-CZ 3.95Å; F291-A335 HydrophobicContact CB-CB 3.84Å; F291-A335 HydrophobicContact CD1-CB 4.18Å; F291-A335 HydrophobicContact CD2-CB 3.98Å; F291-A335 HydrophobicContact CG-CB 3.74Å |
| 292 | S | 92.8 | Very high | 92.6 | Very high | 11 Ų | 11 | 32.8 Ų | 32.8 | 8% | 0.077 | 18% | 0.176 | C | C | . | . | S | Bend | trans | -131 | -120 | 162.3 | 59.6 | 0 | 0 | 0 | 0 | 106.8 | S294 N327 T329 S331 | S292-S294 PolarHBondContact N-O 3.31Å; S292-S294 PolarHBondContact O-N 2.83Å; S292-N327 WeakPolarHBondContact CB-O 3.25Å; S292-N327 PolarHBondContact OG-OD1 3.29Å; S292-T329 CarbonylContact C-O 3.5Å; S292-T329 VanDerWaalsContact CA-O 3.27Å; S292-T329 WeakPolarHBondContact CA-O 3.46Å; S292-S331 WeakPolarHBondContact O-CB 3.38Å; S292-S331 PolarHBondContact O-N 3.43Å |
| 293 | D | 90.1 | Very high | 92.5 | Very high | 87 Ų | 87 | 34.6 Ų | 34.6 | 47% | 0.465 | 19% | 0.189 | S | C | . | . | S | Bend | trans | -65.9 | -25.9 | 177.1 | -60.5 | -39.1 | 0 | 0 | 0 | 110.8 | G328 T329 N334 | D293-G328 VanDerWaalsContact OD2-CA 3.3Å; D293-G328 WeakPolarHBondContact OD2-CA 3.32Å; D293-T329 PolarHBondContact N-O 3.43Å; D293-T329 WeakPolarHBondContact OD1-CA 3.36Å; D293-T329 WeakPolarHBondContact OD1-CB 3.39Å; D293-T329 PolarHBondContact OD1-N 2.93Å; D293-T329 PolarHBondContact OD1-OG1 2.96Å; D293-N334 PolarHBondContact O-ND2 2.77Å |
| 294 | S | 91.1 | Very high | 92.3 | Very high | 52 Ų | 52 | 35.4 Ų | 35.4 | 36% | 0.364 | 19% | 0.193 | S | C | . | . | S | Bend | trans | -130.9 | 163.5 | 175.1 | 62.4 | 0 | 0 | 0 | 0 | 110.8 | F291 S292 M296 | F291-S294 WeakPolarHBondContact CA-O 3.31Å; S292-S294 PolarHBondContact N-O 3.31Å; S292-S294 PolarHBondContact O-N 2.83Å; S294-M296 WeakPolarHBondContact OG-CE 3.15Å |
| 295 | T | 93.8 | Very high | 92.1 | Very high | 29 Ų | 29 | 41.5 Ų | 41.5 | 18% | 0.178 | 22% | 0.216 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -102.6 | 129.7 | 177.9 | -50.4 | 0 | 0 | 0 | 0 | 109.4 | M289 F291 A335 E338 | M289-T295 HydrophobicContact CB-CG2 4.03Å; M289-T295 HydrophobicContact SD-CG2 4.09Å; F291-T295 HydrophobicContact CB-CG2 4.45Å; T295-A335 HydrophobicContact CG2-CB 4.49Å; T295-A335 VanDerWaalsContact OG1-CA 3.25Å; T295-A335 WeakPolarHBondContact OG1-CA 3.39Å; T295-A335 PolarHBondContact OG1-N 3.07Å; T295-E338 HydrophobicContact CG2-CB 4.21Å; T295-E338 HydrophobicContact CG2-CG 4.29Å |
| 296 | M | 93.1 | Very high | 92 | Very high | 92 Ų | 92 | 38.5 Ų | 38.5 | 45% | 0.453 | 21% | 0.205 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -127 | 144.6 | -179.3 | -60.3 | -176.1 | -174.5 | 0 | 0 | 109.7 | M289 M290 S294 F324 | M289-M296 CarbonylContact C-O 3.58Å; M289-M296 VanDerWaalsContact CA-O 3.28Å; M289-M296 WeakPolarHBondContact CA-O 3Å; M290-M296 PolarHBondContact N-O 3.44Å; M290-M296 PolarHBondContact O-N 2.82Å; S294-M296 WeakPolarHBondContact OG-CE 3.15Å; M296-F324 HydrophobicContact SD-CE1 4.02Å |
| 297 | Y | 94.6 | Very high | 91.8 | Very high | 22 Ų | 22 | 39.3 Ų | 39.3 | 9% | 0.086 | 21% | 0.209 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -79.7 | 140.4 | 173.1 | -69 | -104 | 0 | 0 | 0 | 109.6 | M289 D299 I302 T303 E338 L342 | M289-Y297 HydrophobicContact CE-CD1 4.4Å; M289-Y297 HydrophobicContact CE-CE1 3.61Å; M289-Y297 HydrophobicContact CG-CD1 4.27Å; M289-Y297 HydrophobicContact CG-CE1 4.36Å; Y297-D299 PolarHBondContact O-N 2.79Å; Y297-I302 WeakPolarHBondContact CD1-O 3.42Å; Y297-T303 HydrophobicContact CD1-CG2 4.28Å; Y297-T303 HydrophobicContact CD2-CG2 3.66Å; Y297-T303 HydrophobicContact CE2-CG2 4.18Å; Y297-T303 HydrophobicContact CG-CG2 3.74Å; Y297-T303 PolarHBondContact OH-O 2.82Å; Y297-E338 HydrophobicContact CE2-CG 4.2Å; Y297-E338 PolarHBondContact OH-OE1 2.76Å; Y297-L342 HydrophobicContact CE1-CD1 4.28Å; Y297-L342 HydrophobicContact CE1-CD2 4.02Å |
| 298 | A | 92.1 | Very high | 91.6 | Very high | 0 Ų | 0 | 41.1 Ų | 41.1 | 0% | 0 | 22% | 0.218 | C | C | . | . | S | Bend | trans | -61.7 | -35 | 179 | 0 | 0 | 0 | 0 | 0 | 111.8 | V288 M290 M317 T320 | V288-A298 HydrophobicContact CB-CB 3.71Å; V288-A298 HydrophobicContact CG1-CB 3.97Å; V288-A298 VanDerWaalsContact O-CB 3.29Å; V288-A298 WeakPolarHBondContact O-CB 3.23Å; V288-A298 PolarHBondContact O-N 2.99Å; M290-A298 HydrophobicContact CE-CB 4.09Å; A298-M317 HydrophobicContact CB-SD 3.84Å; A298-T320 VanDerWaalsContact O-CB 3.31Å; A298-T320 WeakPolarHBondContact O-CB 3.39Å; A298-T320 WeakPolarHBondContact O-CG2 3.4Å; A298-T320 PolarHBondContact O-OG1 2.7Å |
| 299 | D | 90 | Very high | 91.5 | Very high | 10 Ų | 10 | 41.1 Ų | 41.1 | 5% | 0.053 | 22% | 0.218 | C | C | . | . | S | Bend | trans | -111.4 | 109.8 | 166.3 | -170.6 | -19 | 0 | 0 | 0 | 109.8 | Y297 L301 I302 K316 M317 | Y297-D299 PolarHBondContact O-N 2.79Å; D299-L301 PolarHBondContact O-N 2.77Å; D299-L301 VanDerWaalsContact O-N 3.13Å; D299-L301 WeakPolarHBondContact OD1-CB 3.37Å; D299-L301 PolarHBondContact OD1-N 2.68Å; D299-I302 HydrophobicContact CB-CB 4.29Å; D299-I302 HydrophobicContact CB-CD1 4.24Å; D299-I302 HydrophobicContact CB-CG1 4.22Å; D299-I302 PolarHBondContact O-N 2.9Å; D299-I302 VanDerWaalsContact OD2-CD1 3.3Å; D299-I302 WeakPolarHBondContact OD2-CD1 3.39Å; D299-K316 WeakPolarHBondContact OD2-CE 3.3Å; D299-K316 IonicContact OD2-NZ 2.88Å; D299-K316 PolarHBondContact OD2-NZ 3.23Å; D299-M317 HydrophobicContact CB-CE 3.63Å; D299-M317 HydrophobicContact CB-SD 3.98Å |
| 300 | P | 86.6 | Confident | 91.3 | Very high | 96 Ų | 96 | 41.8 Ų | 41.8 | 62% | 0.623 | 22% | 0.222 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -61.9 | -18.4 | -180 | -23.7 | 34.1 | 0 | 0 | 0 | 114.7 | I302 T303 | P300-I302 VanDerWaalsContact C-N 3.3Å; P300-T303 WeakPolarHBondContact O-CG2 3.41Å |
| 301 | L | 84.7 | Confident | 90.9 | Very high | 133 Ų | 133 | 45.3 Ų | 45.3 | 70% | 0.696 | 24% | 0.237 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -81.6 | -11.4 | 177.4 | -61.1 | 175.6 | 0 | 0 | 0 | 112.5 | D299 | D299-L301 PolarHBondContact O-N 2.77Å; D299-L301 VanDerWaalsContact O-N 3.13Å; D299-L301 WeakPolarHBondContact OD1-CB 3.37Å; D299-L301 PolarHBondContact OD1-N 2.68Å |
| 302 | I | 88 | Confident | 90.6 | Very high | 22 Ų | 22 | 50.6 Ų | 50.6 | 11% | 0.113 | 26% | 0.26 | C | S | . | . | trans | -126.4 | 77.6 | -170.5 | -50.2 | -179.7 | 0 | 0 | 0 | 109.5 | N287 Y297 D299 P300 R305 I307 M317 | N287-I302 PolarHBondContact ND2-O 3.05Å; N287-I302 VanDerWaalsContact ND2-O 3.13Å; Y297-I302 WeakPolarHBondContact CD1-O 3.42Å; D299-I302 HydrophobicContact CB-CB 4.29Å; D299-I302 HydrophobicContact CB-CD1 4.24Å; D299-I302 HydrophobicContact CB-CG1 4.22Å; D299-I302 PolarHBondContact O-N 2.9Å; D299-I302 VanDerWaalsContact OD2-CD1 3.3Å; D299-I302 WeakPolarHBondContact OD2-CD1 3.39Å; P300-I302 VanDerWaalsContact C-N 3.3Å; I302-R305 HydrophobicContact CG2-CG 4.07Å; I302-I307 HydrophobicContact CD1-CD1 4.45Å; I302-I307 HydrophobicContact CD1-CG2 4.05Å; I302-I307 HydrophobicContact CG2-CG2 3.56Å; I302-M317 HydrophobicContact CD1-CE 4.4Å | ||
| 303 | T | 89.6 | Confident | 90.4 | Very high | 54 Ų | 54 | 51.5 Ų | 51.5 | 33% | 0.331 | 26% | 0.264 | S | S | . | . | trans | -116.1 | -1.2 | -174.7 | 65.7 | 0 | 0 | 0 | 0 | 113.9 | Y297 P300 | Y297-T303 HydrophobicContact CD1-CG2 4.28Å; Y297-T303 HydrophobicContact CD2-CG2 3.66Å; Y297-T303 HydrophobicContact CE2-CG2 4.18Å; Y297-T303 HydrophobicContact CG-CG2 3.74Å; Y297-T303 PolarHBondContact OH-O 2.82Å; P300-T303 WeakPolarHBondContact O-CG2 3.41Å | ||
| 304 | D | 88.2 | Confident | 90.6 | Very high | 52 Ų | 52 | 48.6 Ų | 48.6 | 28% | 0.278 | 25% | 0.248 | S | C | . | . | S | Bend | trans | -115.8 | -9.5 | -169.7 | 65.9 | -21.9 | 0 | 0 | 0 | 113.9 | ||
| 305 | R | 89.9 | Confident | 90.4 | Very high | 128 Ų | 128 | 48 Ų | 48 | 48% | 0.483 | 24% | 0.241 | S | C | . | . | S | Bend | trans | -151.6 | 165.6 | -172.9 | 72.7 | -168.2 | 86 | -175.5 | 2.3 | 113.3 | N287 I302 I307 | N287-R305 PolarHBondContact ND2-O 2.6Å; I302-R305 HydrophobicContact CG2-CG 4.07Å; R305-I307 HydrophobicContact CG-CG2 4.47Å |
| 306 | L | 92.9 | Very high | 90 | Very high | 14 Ų | 14 | 50.2 Ų | 50.2 | 7% | 0.073 | 25% | 0.247 | C | C | . | . | trans | -85.2 | 150 | 160.4 | -54.9 | 178.3 | 0 | 0 | 0 | 109.7 | E250 I252 N287 L342 F343 T346 | E250-L306 HydrophobicContact CB-CD1 3.82Å; E250-L306 HydrophobicContact CG-CD1 3.93Å; I252-L306 HydrophobicContact CD1-CD2 4.18Å; I252-L306 HydrophobicContact CG1-CD2 3.75Å; N287-L306 HydrophobicContact CB-CD2 3.78Å; L306-L342 HydrophobicContact CD2-CD2 3.92Å; L306-F343 HydrophobicContact CD1-CE1 4.39Å; L306-T346 HydrophobicContact CG-CG2 4.46Å | ||
| 307 | I | 92.4 | Very high | 89.9 | Confident | 17 Ų | 17 | 45.8 Ų | 45.8 | 9% | 0.087 | 23% | 0.226 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.5 | 149.1 | 178 | 59.5 | 171.8 | 0 | 0 | 0 | 111.6 | Y285 F286 I302 R305 N313 M317 | Y285-I307 CarbonylContact C-O 3.53Å; Y285-I307 VanDerWaalsContact CA-O 3.27Å; Y285-I307 WeakPolarHBondContact CA-O 3.14Å; F286-I307 HydrophobicContact CD1-CG1 4.25Å; F286-I307 WeakPolarHBondContact CD1-O 3.31Å; F286-I307 HydrophobicContact CE1-CD1 4.21Å; F286-I307 HydrophobicContact CE1-CG1 3.94Å; F286-I307 HydrophobicContact CE2-CD1 4.42Å; F286-I307 HydrophobicContact CE2-CG1 4.48Å; F286-I307 HydrophobicContact CZ-CD1 3.93Å; F286-I307 HydrophobicContact CZ-CG1 4.07Å; F286-I307 PolarHBondContact N-O 3.05Å; F286-I307 VanDerWaalsContact O-CG1 3.25Å; F286-I307 WeakPolarHBondContact O-CG1 3.48Å; F286-I307 PolarHBondContact O-N 3.31Å; I302-I307 HydrophobicContact CD1-CD1 4.45Å; I302-I307 HydrophobicContact CD1-CG2 4.05Å; I302-I307 HydrophobicContact CG2-CG2 3.56Å; R305-I307 HydrophobicContact CG-CG2 4.47Å; I307-N313 HydrophobicContact CD1-CB 3.86Å; I307-M317 HydrophobicContact CD1-CE 3.4Å; I307-M317 HydrophobicContact CD1-CG 4.36Å; I307-M317 HydrophobicContact CG1-CE 4.39Å |
| 308 | Q | 92.5 | Very high | 89.6 | Confident | 38 Ų | 38 | 47.1 Ų | 47.1 | 18% | 0.178 | 23% | 0.234 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -63.5 | 143.1 | 179.9 | -166.8 | 177.7 | 21 | 0 | 0 | 111.8 | E282 D284 Y285 T310 N313 N564 | E282-Q308 WeakPolarHBondContact O-CG 3.13Å; E282-Q308 PolarHBondContact O-NE2 2.79Å; D284-Q308 CarbonylContact O-C 3.48Å; Y285-Q308 HydrophobicContact CD1-CB 4.27Å; Y285-Q308 HydrophobicContact CE1-CB 4Å; Y285-Q308 HydrophobicContact CE1-CG 4.37Å; Q308-T310 HydrophobicContact CB-CG2 4.27Å; Q308-T310 HydrophobicContact CG-CG2 4.03Å; Q308-T310 PolarHBondContact O-N 3.05Å; Q308-N313 WeakPolarHBondContact O-CB 3.48Å; Q308-N313 PolarHBondContact O-ND2 2.81Å; Q308-N564 PolarHBondContact NE2-OD1 3.33Å |
| 309 | G | 93.7 | Very high | 89.2 | Confident | 1 Ų | 1 | 52.4 Ų | 52.4 | 1% | 0.01 | 26% | 0.257 | C | S | . | . | trans | -69 | 29.1 | -178.4 | 0 | 0 | 0 | 0 | 0 | 116.5 | T281 D284 K314 | T281-G309 WeakPolarHBondContact O-CA 3.49Å; D284-G309 PolarHBondContact O-N 3.03Å; G309-K314 VanDerWaalsContact O-CE 3.25Å; G309-K314 WeakPolarHBondContact O-CE 3.49Å | ||
| 310 | T | 91.8 | Very high | 89.1 | Confident | 13 Ų | 13 | 52.6 Ų | 52.6 | 8% | 0.08 | 26% | 0.259 | C | S | . | . | trans | -64.2 | 153.5 | 177.4 | 68.4 | 0 | 0 | 0 | 0 | 111.2 | Q308 F312 N313 K314 F566 | Q308-T310 HydrophobicContact CB-CG2 4.27Å; Q308-T310 HydrophobicContact CG-CG2 4.03Å; Q308-T310 PolarHBondContact O-N 3.05Å; T310-F312 VanDerWaalsContact C-N 3.28Å; T310-F312 PolarHBondContact O-N 2.85Å; T310-N313 PolarHBondContact O-N 3.01Å; T310-N313 WeakPolarHBondContact OG1-CB 3.29Å; T310-N313 VanDerWaalsContact OG1-CG 3.28Å; T310-N313 PolarHBondContact OG1-N 3.22Å; T310-N313 PolarHBondContact OG1-ND2 3.23Å; T310-K314 WeakPolarHBondContact O-CG 3.34Å; T310-K314 PolarHBondContact O-N 3.27Å; T310-F566 HydrophobicContact CG2-CE2 4.22Å; T310-F566 HydrophobicContact CG2-CZ 3.72Å | ||
| 311 | K | 87.3 | Confident | 89 | Confident | 79 Ų | 79 | 48.3 Ų | 48.3 | 34% | 0.343 | 23% | 0.23 | S | C | . | . | H | α-helix | trans | -61.4 | -38.8 | -178.9 | -171.6 | -174.6 | 168.5 | 69.7 | 0 | 112 | K314 D315 S583 Y584 N587 | K311-K314 PolarHBondContact O-N 3.24Å; K311-D315 VanDerWaalsContact O-CG 3.3Å; K311-D315 PolarHBondContact O-N 2.71Å; K311-S583 WeakPolarHBondContact CD-O 3.49Å; K311-S583 WeakPolarHBondContact CE-O 3.5Å; K311-Y584 HydrophobicContact CB-CD1 3.92Å; K311-Y584 HydrophobicContact CB-CE1 4.2Å; K311-Y584 HydrophobicContact CD-CD1 3.87Å; K311-Y584 HydrophobicContact CD-CE1 4.06Å; K311-Y584 HydrophobicContact CG-CD1 3.92Å; K311-Y584 HydrophobicContact CG-CE1 3.85Å; K311-N587 PolarHBondContact N-OD1 2.86Å |
| 312 | F | 86.7 | Confident | 88.7 | Confident | 112 Ų | 112 | 50.6 Ų | 50.6 | 49% | 0.491 | 23% | 0.229 | S | C | . | . | H | α-helix | trans | -57.9 | -48.8 | 174.4 | 176.7 | -98.1 | 0 | 0 | 0 | 112.3 | T310 K314 D315 K316 Y584 | T310-F312 VanDerWaalsContact C-N 3.28Å; T310-F312 PolarHBondContact O-N 2.85Å; F312-K314 VanDerWaalsContact C-N 3.34Å; F312-K314 PolarHBondContact O-N 2.95Å; F312-D315 PolarHBondContact O-N 3.24Å; F312-K316 WeakPolarHBondContact O-CB 3.23Å; F312-K316 PolarHBondContact O-N 3.18Å; F312-Y584 HydrophobicContact CB-CD1 4.27Å; F312-Y584 HydrophobicContact CB-CE1 4.24Å; F312-Y584 HydrophobicContact CD2-CD2 4.47Å; F312-Y584 HydrophobicContact CD2-CE2 4.02Å |
| 313 | N | 90.5 | Very high | 88.3 | Confident | 31 Ų | 31 | 57.6 Ų | 57.6 | 17% | 0.166 | 26% | 0.259 | C | S | . | . | H | α-helix | trans | -64.2 | -38.4 | 179.7 | -76.2 | -16.5 | 0 | 0 | 0 | 112.3 | F286 I307 Q308 T310 M317 | F286-N313 HydrophobicContact CE1-CB 4.33Å; F286-N313 HydrophobicContact CZ-CB 4.38Å; I307-N313 HydrophobicContact CD1-CB 3.86Å; Q308-N313 WeakPolarHBondContact O-CB 3.48Å; Q308-N313 PolarHBondContact O-ND2 2.81Å; T310-N313 PolarHBondContact O-N 3.01Å; T310-N313 WeakPolarHBondContact OG1-CB 3.29Å; T310-N313 VanDerWaalsContact OG1-CG 3.28Å; T310-N313 PolarHBondContact OG1-N 3.22Å; T310-N313 PolarHBondContact OG1-ND2 3.23Å; N313-M317 VanDerWaalsContact O-CG 3.31Å; N313-M317 WeakPolarHBondContact O-CG 3.4Å; N313-M317 PolarHBondContact O-N 3.4Å; N313-M317 VanDerWaalsContact O-N 3.14Å |
| 314 | K | 92.4 | Very high | 88.1 | Confident | 26 Ų | 26 | 57.5 Ų | 57.5 | 11% | 0.113 | 25% | 0.254 | C | S | . | . | H | α-helix | trans | -63.2 | -50 | 175.2 | -69.4 | -177.4 | -71.4 | -168.3 | 0 | 111.6 | L277 L280 F286 G309 T310 K311 F312 K316 M317 I318 | L277-K314 HydrophobicContact CB-CB 4.48Å; L277-K314 HydrophobicContact CB-CD 4.24Å; L277-K314 HydrophobicContact CB-CG 4.22Å; L277-K314 WeakPolarHBondContact O-CD 3.35Å; L280-K314 PolarHBondContact O-NZ 3.49Å; F286-K314 HydrophobicContact CE1-CG 4.15Å; F286-K314 HydrophobicContact CZ-CG 4.1Å; G309-K314 VanDerWaalsContact O-CE 3.25Å; G309-K314 WeakPolarHBondContact O-CE 3.49Å; T310-K314 WeakPolarHBondContact O-CG 3.34Å; T310-K314 PolarHBondContact O-N 3.27Å; K311-K314 PolarHBondContact O-N 3.24Å; F312-K314 VanDerWaalsContact C-N 3.34Å; F312-K314 PolarHBondContact O-N 2.95Å; K314-K316 VanDerWaalsContact C-N 3.32Å; K314-K316 PolarHBondContact O-N 3.35Å; K314-M317 PolarHBondContact O-N 3.01Å; K314-I318 WeakPolarHBondContact O-CG1 3.24Å; K314-I318 PolarHBondContact O-N 3.19Å |
| 315 | D | 86.9 | Confident | 88 | Confident | 40 Ų | 40 | 59.6 Ų | 59.6 | 21% | 0.214 | 27% | 0.273 | C | S | . | . | H | α-helix | trans | -62.3 | -40.9 | 179.2 | -69.2 | -9.6 | 0 | 0 | 0 | 111.3 | K311 F312 M317 I318 K319 Y584 | K311-D315 VanDerWaalsContact O-CG 3.3Å; K311-D315 PolarHBondContact O-N 2.71Å; F312-D315 PolarHBondContact O-N 3.24Å; D315-M317 VanDerWaalsContact C-N 3.3Å; D315-M317 PolarHBondContact O-N 3.26Å; D315-I318 PolarHBondContact O-N 2.9Å; D315-K319 WeakPolarHBondContact O-CG 3.46Å; D315-K319 PolarHBondContact O-N 3.18Å; D315-Y584 WeakPolarHBondContact OD2-CE1 3.24Å; D315-Y584 PolarHBondContact OD2-OH 2.8Å |
| 316 | K | 85.7 | Confident | 87.9 | Confident | 74 Ų | 74 | 54 Ų | 54 | 32% | 0.322 | 25% | 0.253 | S | S | . | . | H | α-helix | trans | -55.5 | -46.1 | 175.1 | -170.3 | -171.5 | -172 | -163.6 | 0 | 111.2 | D299 F312 K314 T320 | D299-K316 WeakPolarHBondContact OD2-CE 3.3Å; D299-K316 IonicContact OD2-NZ 2.88Å; D299-K316 PolarHBondContact OD2-NZ 3.23Å; F312-K316 WeakPolarHBondContact O-CB 3.23Å; F312-K316 PolarHBondContact O-N 3.18Å; K314-K316 VanDerWaalsContact C-N 3.32Å; K314-K316 PolarHBondContact O-N 3.35Å; K316-T320 WeakPolarHBondContact O-CG2 3.41Å |
| 317 | M | 91 | Very high | 87.7 | Confident | 0 Ų | 0 | 57.6 Ų | 57.6 | 0% | 0 | 27% | 0.273 | C | S | . | . | H | α-helix | trans | -69.3 | -42 | 178.3 | -68.8 | -69.5 | -178.2 | 0 | 0 | 112.2 | L277 F286 A298 D299 I302 I307 N313 K314 D315 K319 T320 F321 | L277-M317 HydrophobicContact CD1-CB 4.34Å; F286-M317 HydrophobicContact CE2-CB 4.33Å; F286-M317 HydrophobicContact CE2-CG 3.83Å; F286-M317 HydrophobicContact CZ-CG 4.09Å; A298-M317 HydrophobicContact CB-SD 3.84Å; D299-M317 HydrophobicContact CB-CE 3.63Å; D299-M317 HydrophobicContact CB-SD 3.98Å; I302-M317 HydrophobicContact CD1-CE 4.4Å; I307-M317 HydrophobicContact CD1-CE 3.4Å; I307-M317 HydrophobicContact CD1-CG 4.36Å; I307-M317 HydrophobicContact CG1-CE 4.39Å; N313-M317 VanDerWaalsContact O-CG 3.31Å; N313-M317 WeakPolarHBondContact O-CG 3.4Å; N313-M317 PolarHBondContact O-N 3.4Å; N313-M317 VanDerWaalsContact O-N 3.14Å; K314-M317 PolarHBondContact O-N 3.01Å; D315-M317 VanDerWaalsContact C-N 3.3Å; D315-M317 PolarHBondContact O-N 3.26Å; M317-K319 VanDerWaalsContact C-N 3.29Å; M317-K319 PolarHBondContact O-N 2.78Å; M317-T320 PolarHBondContact O-N 3.01Å; M317-T320 PolarHBondContact O-OG1 3.05Å; M317-F321 VanDerWaalsContact O-CD1 3.27Å; M317-F321 WeakPolarHBondContact O-CD1 3.39Å; M317-F321 WeakPolarHBondContact O-CE1 3.08Å |
| 318 | I | 88.9 | Confident | 87.6 | Confident | 50 Ų | 50 | 58.5 Ų | 58.5 | 26% | 0.256 | 29% | 0.286 | S | S | . | . | H | α-helix | trans | -60.7 | -39.5 | 177.6 | -67.6 | 165.4 | 0 | 0 | 0 | 111.1 | A274 L277 K314 D315 T320 F321 | A274-I318 HydrophobicContact CB-CD1 4.07Å; A274-I318 HydrophobicContact CB-CG1 4.22Å; L277-I318 HydrophobicContact CD1-CD1 4.31Å; L277-I318 HydrophobicContact CD1-CG1 3.78Å; K314-I318 WeakPolarHBondContact O-CG1 3.24Å; K314-I318 PolarHBondContact O-N 3.19Å; D315-I318 PolarHBondContact O-N 2.9Å; I318-T320 PolarHBondContact O-N 2.98Å; I318-F321 HydrophobicContact CB-CE2 4.48Å; I318-F321 HydrophobicContact CG1-CE2 4.1Å; I318-F321 WeakPolarHBondContact O-CB 3.46Å; I318-F321 PolarHBondContact O-N 3.34Å |
| 319 | K | 84.7 | Confident | 87.3 | Confident | 110 Ų | 110 | 61.3 Ų | 61.3 | 48% | 0.478 | 31% | 0.306 | S | S | . | . | H | α-helix | trans | -60.4 | -26.4 | 176.1 | -73.7 | -177 | -176.2 | -171.1 | 0 | 112.7 | D315 M317 E979 | D315-K319 WeakPolarHBondContact O-CG 3.46Å; D315-K319 PolarHBondContact O-N 3.18Å; M317-K319 VanDerWaalsContact C-N 3.29Å; M317-K319 PolarHBondContact O-N 2.78Å; K319-E979 IonicContact NZ-OE1 3.22Å; K319-E979 PolarHBondContact NZ-OE1 2.91Å; K319-E979 IonicContact NZ-OE2 2.61Å; K319-E979 PolarHBondContact NZ-OE2 2.85Å |
| 320 | T | 86.6 | Confident | 87.1 | Confident | 15 Ų | 15 | 62.5 Ų | 62.5 | 9% | 0.092 | 32% | 0.315 | C | S | . | . | H | α-helix | trans | -79.6 | -21.9 | 179.7 | 71.2 | 0 | 0 | 0 | 0 | 113.3 | A298 K316 M317 I318 R322 K323 F324 | A298-T320 VanDerWaalsContact O-CB 3.31Å; A298-T320 WeakPolarHBondContact O-CB 3.39Å; A298-T320 WeakPolarHBondContact O-CG2 3.4Å; A298-T320 PolarHBondContact O-OG1 2.7Å; K316-T320 WeakPolarHBondContact O-CG2 3.41Å; M317-T320 PolarHBondContact O-N 3.01Å; M317-T320 PolarHBondContact O-OG1 3.05Å; I318-T320 PolarHBondContact O-N 2.98Å; T320-R322 PolarHBondContact O-N 3.49Å; T320-R322 VanDerWaalsContact O-N 3.13Å; T320-K323 WeakPolarHBondContact O-CB 3.28Å; T320-K323 PolarHBondContact O-N 3.34Å; T320-F324 WeakPolarHBondContact O-CD2 3.48Å |
| 321 | F | 85.6 | Confident | 87.1 | Confident | 5 Ų | 5 | 63.2 Ų | 63.2 | 2% | 0.022 | 32% | 0.321 | C | S | . | . | H | α-helix | trans | -57.5 | -33.4 | -178.3 | -61.9 | -9.1 | 0 | 0 | 0 | 112.7 | I255 N270 A273 L277 V288 M290 M317 I318 K323 | I255-F321 HydrophobicContact CD1-CD1 4.41Å; I255-F321 HydrophobicContact CD1-CE1 3.95Å; I255-F321 HydrophobicContact CD1-CZ 4.06Å; N270-F321 HydrophobicContact CB-CD2 4.44Å; A273-F321 HydrophobicContact CB-CD2 4.34Å; A273-F321 HydrophobicContact CB-CE2 3.51Å; A273-F321 HydrophobicContact CB-CZ 3.79Å; L277-F321 HydrophobicContact CD1-CE2 4.43Å; L277-F321 HydrophobicContact CD1-CZ 4Å; V288-F321 HydrophobicContact CG1-CE1 3.97Å; V288-F321 HydrophobicContact CG1-CZ 4.41Å; M290-F321 HydrophobicContact CE-CD1 3.43Å; M290-F321 VanDerWaalsContact CE-CD1 3.43Å; M290-F321 HydrophobicContact CE-CE1 4.05Å; M290-F321 HydrophobicContact CE-CG 4.37Å; M317-F321 VanDerWaalsContact O-CD1 3.27Å; M317-F321 WeakPolarHBondContact O-CD1 3.39Å; M317-F321 WeakPolarHBondContact O-CE1 3.08Å; I318-F321 HydrophobicContact CB-CE2 4.48Å; I318-F321 HydrophobicContact CG1-CE2 4.1Å; I318-F321 WeakPolarHBondContact O-CB 3.46Å; I318-F321 PolarHBondContact O-N 3.34Å; F321-K323 VanDerWaalsContact C-N 3.29Å; F321-K323 PolarHBondContact O-N 3Å |
| 322 | R | 77.9 | Confident | 87.3 | Confident | 181 Ų | 181 | 59.6 Ų | 59.6 | 68% | 0.683 | 31% | 0.305 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -71.5 | -19.4 | 177.5 | -63.3 | -179.6 | 179.8 | 171.8 | -1.5 | 113.9 | T320 E1062 | T320-R322 PolarHBondContact O-N 3.49Å; T320-R322 VanDerWaalsContact O-N 3.13Å; R322-E1062 IonicContact CZ-OE2 3.98Å; R322-E1062 IonicContact NH2-OE2 3.82Å; R322-E1062 PolarHBondContact NH2-OE2 3.42Å |
| 323 | K | 80.4 | Confident | 87.6 | Confident | 169 Ų | 169 | 59.6 Ų | 59.6 | 74% | 0.735 | 31% | 0.307 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -81.1 | -20.8 | -177.6 | -62.4 | -178 | 179.4 | 179.7 | 0 | 112.7 | T320 F321 | T320-K323 WeakPolarHBondContact O-CB 3.28Å; T320-K323 PolarHBondContact O-N 3.34Å; F321-K323 VanDerWaalsContact C-N 3.29Å; F321-K323 PolarHBondContact O-N 3Å |
| 324 | F | 83.5 | Confident | 87.7 | Confident | 52 Ų | 52 | 62 Ų | 62 | 23% | 0.228 | 32% | 0.319 | C | S | . | . | trans | -106.6 | 105.9 | -175.9 | -67.4 | -85.7 | 0 | 0 | 0 | 110.5 | M290 M296 T320 | M290-F324 HydrophobicContact CE-CB 4.49Å; M290-F324 HydrophobicContact CE-CD2 3.75Å; M290-F324 HydrophobicContact CE-CE2 4.34Å; M290-F324 HydrophobicContact CE-CG 4.37Å; M290-F324 HydrophobicContact SD-CB 3.45Å; M290-F324 WeakPolarHBondContact SD-CB 3.4Å; M290-F324 HydrophobicContact SD-CD1 4.16Å; M290-F324 HydrophobicContact SD-CD2 3.33Å; M290-F324 WeakPolarHBondContact SD-CD2 3.5Å; M290-F324 HydrophobicContact SD-CE2 4.06Å; M290-F324 HydrophobicContact SD-CG 3.38Å; M290-F324 WeakPolarHBondContact SD-CG 3.08Å; M296-F324 HydrophobicContact SD-CE1 4.02Å; T320-F324 WeakPolarHBondContact O-CD2 3.48Å | ||
| 325 | S | 86.4 | Confident | 87.8 | Confident | 97 Ų | 97 | 60.7 Ų | 60.7 | 68% | 0.678 | 31% | 0.314 | S | S | * | . | trans | -85.2 | 136.9 | 173.7 | -70.1 | 0 | 0 | 0 | 0 | 110.5 | N327 | S325-N327 PolarHBondContact O-N 3.03Š| ||
| 326 | P | 89.1 | Confident | 88.2 | Confident | 10 Ų | 10 | 58.9 Ų | 58.9 | 7% | 0.065 | 30% | 0.304 | C | S | . | . | trans | -63.3 | 135.1 | -178 | -18.1 | 27 | 0 | 0 | 0 | 113.7 | K257 S258 M261 K262 D266 | K257-P326 HydrophobicContact CD-CG 4.3Å; K257-P326 CarbonylContact O-C 3.57Å; K257-P326 WeakPolarHBondContact O-CA 3.47Å; K257-P326 WeakPolarHBondContact O-CB 3.41Å; S258-P326 WeakPolarHBondContact O-CB 3.35Å; M261-P326 HydrophobicContact CB-CB 3.78Å; M261-P326 HydrophobicContact CB-CG 3.91Å; K262-P326 WeakPolarHBondContact CE-O 3.36Å; K262-P326 HydrophobicContact CG-CB 4.02Å; K262-P326 HydrophobicContact CG-CG 4.4Å; D266-P326 HydrophobicContact CB-CG 4.04Å; D266-P326 WeakPolarHBondContact OD1-CG 3.38Å | ||
| 327 | N | 88.6 | Confident | 88.6 | Confident | 90 Ų | 90 | 58 Ų | 58 | 48% | 0.481 | 31% | 0.305 | S | S | . | . | trans | -153.1 | 168.1 | -177.7 | 71.5 | 7.7 | 0 | 0 | 0 | 111.8 | K257 S258 G259 S292 S325 | K257-N327 PolarHBondContact O-N 3.07Å; K257-N327 VanDerWaalsContact O-O 3.06Å; S258-N327 CarbonylContact C-O 2.7Å; S258-N327 WeakPolarHBondContact CA-O 3.45Å; G259-N327 PolarHBondContact N-O 2.78Å; S292-N327 WeakPolarHBondContact CB-O 3.25Å; S292-N327 PolarHBondContact OG-OD1 3.29Å; S325-N327 PolarHBondContact O-N 3.03Å | ||
| 328 | G | 89.4 | Confident | 88.8 | Confident | 36 Ų | 36 | 59.7 Ų | 59.7 | 37% | 0.371 | 31% | 0.313 | S | S | . | . | S | Bend | trans | 64.9 | -155.7 | 172.9 | 0 | 0 | 0 | 0 | 0 | 115.1 | G259 D293 | G259-G328 PolarHBondContact N-O 3.21Å; D293-G328 VanDerWaalsContact OD2-CA 3.3Å; D293-G328 WeakPolarHBondContact OD2-CA 3.32Å |
| 329 | T | 87 | Confident | 89.2 | Confident | 97 Ų | 97 | 57.3 Ų | 57.3 | 60% | 0.595 | 30% | 0.301 | S | S | * | . | trans | -119.4 | 151 | -178.9 | 61.8 | 0 | 0 | 0 | 0 | 111.1 | S292 D293 S331 | S292-T329 CarbonylContact C-O 3.5Å; S292-T329 VanDerWaalsContact CA-O 3.27Å; S292-T329 WeakPolarHBondContact CA-O 3.46Å; D293-T329 PolarHBondContact N-O 3.43Å; D293-T329 WeakPolarHBondContact OD1-CA 3.36Å; D293-T329 WeakPolarHBondContact OD1-CB 3.39Å; D293-T329 PolarHBondContact OD1-N 2.93Å; D293-T329 PolarHBondContact OD1-OG1 2.96Å; T329-S331 PolarHBondContact O-N 2.82Å | ||
| 330 | A | 88.7 | Confident | 89.7 | Confident | 25 Ų | 25 | 52.5 Ų | 52.5 | 21% | 0.207 | 28% | 0.28 | C | S | . | . | trans | -79.5 | 103 | -175.9 | 0 | 0 | 0 | 0 | 0 | 112.7 | F291 Y332 | F291-A330 HydrophobicContact CD2-CB 4.43Å; F291-A330 HydrophobicContact CE2-CB 3.97Å; A330-Y332 HydrophobicContact CB-CD2 4.31Å; A330-Y332 HydrophobicContact CB-CE2 4Å; A330-Y332 PolarHBondContact O-N 3.21Å | ||
| 331 | S | 92.1 | Very high | 90.1 | Very high | 29 Ų | 29 | 56.3 Ų | 56.3 | 20% | 0.203 | 30% | 0.295 | C | S | . | . | trans | -89.2 | 88 | 175.6 | -172.6 | 0 | 0 | 0 | 0 | 112.5 | S292 T329 E333 N334 A335 | S292-S331 WeakPolarHBondContact O-CB 3.38Å; S292-S331 PolarHBondContact O-N 3.43Å; T329-S331 PolarHBondContact O-N 2.82Å; S331-E333 VanDerWaalsContact C-N 3.35Å; S331-E333 PolarHBondContact O-N 3.02Å; S331-N334 PolarHBondContact OG-ND2 2.65Å; S331-N334 VanDerWaalsContact OG-ND2 3.08Å; S331-A335 PolarHBondContact O-N 2.86Å | ||
| 332 | Y | 92.1 | Very high | 90.4 | Very high | 2 Ų | 2 | 56.1 Ų | 56.1 | 1% | 0.008 | 29% | 0.294 | C | S | . | . | H | α-helix | trans | -64 | -35 | 177.6 | -81.7 | -93 | 0 | 0 | 0 | 114 | F291 A330 A335 I336 I362 T364 S366 Y371 | F291-Y332 HydrophobicContact CE2-CD1 4.3Å; F291-Y332 HydrophobicContact CE2-CD2 4.09Å; F291-Y332 HydrophobicContact CE2-CE1 4.21Å; F291-Y332 AromaticContact CE2-CE2 3.99Å; F291-Y332 HydrophobicContact CE2-CE2 3.99Å; F291-Y332 HydrophobicContact CE2-CG 4.24Å; F291-Y332 HydrophobicContact CZ-CD1 4.39Å; F291-Y332 AromaticContact CZ-CE1 3.97Å; F291-Y332 HydrophobicContact CZ-CE1 3.97Å; F291-Y332 HydrophobicContact CZ-CE2 4.36Å; F291-Y332 AromaticContact CZ-CZ 3.95Å; A330-Y332 HydrophobicContact CB-CD2 4.31Å; A330-Y332 HydrophobicContact CB-CE2 4Å; A330-Y332 PolarHBondContact O-N 3.21Å; Y332-A335 PolarHBondContact O-N 3.33Å; Y332-I336 WeakPolarHBondContact O-CB 3.21Å; Y332-I336 WeakPolarHBondContact O-CD1 3.37Å; Y332-I336 VanDerWaalsContact O-CG1 3.24Å; Y332-I336 WeakPolarHBondContact O-CG1 3.35Å; Y332-I336 PolarHBondContact O-N 3.08Å; Y332-I362 HydrophobicContact CE1-CG2 4.07Å; Y332-T364 WeakPolarHBondContact OH-CB 3.2Å; Y332-T364 WeakPolarHBondContact OH-CG2 3.34Å; Y332-T364 PolarHBondContact OH-OG1 2.9Å; Y332-S366 PolarHBondContact OH-O 2.9Å; Y332-Y371 VanDerWaalsContact CB-CE1 3.45Å; Y332-Y371 WeakPolarHBondContact CB-OH 3.37Å; Y332-Y371 HydrophobicContact CD1-CD2 4.34Å; Y332-Y371 AromaticContact CD1-CE2 3.93Å; Y332-Y371 HydrophobicContact CD1-CE2 3.93Å; Y332-Y371 AromaticContact CD2-CE2 3.96Å; Y332-Y371 HydrophobicContact CD2-CE2 3.96Å; Y332-Y371 AromaticContact CD2-CZ 3.81Å; Y332-Y371 VanDerWaalsContact CD2-OH 3.3Å; Y332-Y371 WeakPolarHBondContact CD2-OH 3.45Å; Y332-Y371 HydrophobicContact CG-CD2 4.33Å; Y332-Y371 HydrophobicContact CG-CE1 4.25Å; Y332-Y371 AromaticContact CG-CE2 3.58Å; Y332-Y371 HydrophobicContact CG-CE2 3.58Å; Y332-Y371 AromaticContact CG-CZ 3.55Å |
| 333 | E | 92.2 | Very high | 91.1 | Very high | 113 Ų | 113 | 47.7 Ų | 47.7 | 53% | 0.528 | 26% | 0.262 | S | S | . | . | H | α-helix | trans | -62.9 | -46.3 | -179 | -174.6 | 174.5 | 178 | 0 | 0 | 111.1 | S331 T337 L374 | S331-E333 VanDerWaalsContact C-N 3.35Å; S331-E333 PolarHBondContact O-N 3.02Å; E333-T337 VanDerWaalsContact O-CB 3.3Å; E333-T337 WeakPolarHBondContact O-CB 3.43Å; E333-T337 PolarHBondContact O-N 2.91Å; E333-T337 PolarHBondContact O-OG1 3.31Å; E333-L374 HydrophobicContact CB-CD1 4.26Å; E333-L374 HydrophobicContact CG-CD1 4.19Å; E333-L374 HydrophobicContact CG-CD2 4.21Å |
| 334 | N | 92.5 | Very high | 91.5 | Very high | 80 Ų | 80 | 43.8 Ų | 43.8 | 43% | 0.428 | 25% | 0.25 | S | C | . | . | H | α-helix | trans | -63.3 | -44.9 | 175.1 | -68.3 | -17.9 | 0 | 0 | 0 | 111.2 | D293 S331 T337 E338 | D293-N334 PolarHBondContact O-ND2 2.77Å; S331-N334 PolarHBondContact OG-ND2 2.65Å; S331-N334 VanDerWaalsContact OG-ND2 3.08Å; N334-T337 PolarHBondContact O-N 2.99Å; N334-E338 WeakPolarHBondContact O-CB 3.48Å; N334-E338 PolarHBondContact O-N 3.3Å |
| 335 | A | 94.6 | Very high | 91.8 | Very high | 0 Ų | 0 | 44.2 Ų | 44.2 | 0% | 0 | 25% | 0.251 | C | S | . | . | H | α-helix | trans | -63 | -49.2 | -178.5 | 0 | 0 | 0 | 0 | 0 | 112.2 | L254 F291 T295 S331 Y332 T337 E338 V339 | L254-A335 HydrophobicContact CD1-CB 4.11Å; L254-A335 HydrophobicContact CD2-CB 4.39Å; F291-A335 HydrophobicContact CB-CB 3.84Å; F291-A335 HydrophobicContact CD1-CB 4.18Å; F291-A335 HydrophobicContact CD2-CB 3.98Å; F291-A335 HydrophobicContact CG-CB 3.74Å; T295-A335 HydrophobicContact CG2-CB 4.49Å; T295-A335 VanDerWaalsContact OG1-CA 3.25Å; T295-A335 WeakPolarHBondContact OG1-CA 3.39Å; T295-A335 PolarHBondContact OG1-N 3.07Å; S331-A335 PolarHBondContact O-N 2.86Å; Y332-A335 PolarHBondContact O-N 3.33Å; A335-T337 VanDerWaalsContact C-N 3.35Å; A335-T337 PolarHBondContact O-N 3.16Å; A335-E338 PolarHBondContact O-N 3Å; A335-V339 VanDerWaalsContact O-CG2 3.29Å; A335-V339 WeakPolarHBondContact O-CG2 3.49Å; A335-V339 PolarHBondContact O-N 3.18Å |
| 336 | I | 94.9 | Very high | 91.7 | Very high | 2 Ų | 2 | 40.1 Ų | 40.1 | 1% | 0.01 | 22% | 0.223 | C | C | . | . | H | α-helix | trans | -64.3 | -41.8 | 179.7 | -67.4 | 162.9 | 0 | 0 | 0 | 110.5 | Y332 E338 V339 F340 Y371 L374 F375 | Y332-I336 WeakPolarHBondContact O-CB 3.21Å; Y332-I336 WeakPolarHBondContact O-CD1 3.37Å; Y332-I336 VanDerWaalsContact O-CG1 3.24Å; Y332-I336 WeakPolarHBondContact O-CG1 3.35Å; Y332-I336 PolarHBondContact O-N 3.08Å; I336-E338 PolarHBondContact O-N 3.41Å; I336-V339 WeakPolarHBondContact O-CB 3.38Å; I336-V339 PolarHBondContact O-N 3.07Å; I336-F340 HydrophobicContact CG2-CD2 3.86Å; I336-F340 HydrophobicContact CG2-CE2 3.75Å; I336-F340 VanDerWaalsContact O-CD2 3.27Å; I336-F340 WeakPolarHBondContact O-CD2 3.37Å; I336-F340 PolarHBondContact O-N 3.13Å; I336-Y371 HydrophobicContact CD1-CG 4.21Å; I336-L374 HydrophobicContact CB-CD1 4.16Å; I336-L374 HydrophobicContact CD1-CD1 3.85Å; I336-L374 HydrophobicContact CG2-CB 4.11Å; I336-L374 HydrophobicContact CG2-CD1 4.24Å; I336-F375 HydrophobicContact CD1-CE2 3.71Å; I336-F375 HydrophobicContact CD1-CZ 4.11Å; I336-F375 HydrophobicContact CG1-CE2 4.31Å; I336-F375 HydrophobicContact CG1-CZ 4.22Å; I336-F375 HydrophobicContact CG2-CE2 4.23Å; I336-F375 HydrophobicContact CG2-CZ 4.07Å |
| 337 | T | 94.8 | Very high | 91.4 | Very high | 54 Ų | 54 | 41.3 Ų | 41.3 | 33% | 0.331 | 23% | 0.228 | S | C | . | . | H | α-helix | trans | -61.4 | -44.2 | 177.5 | -56.9 | 0 | 0 | 0 | 0 | 111.5 | E333 N334 A335 V339 F340 K341 F378 | E333-T337 VanDerWaalsContact O-CB 3.3Å; E333-T337 WeakPolarHBondContact O-CB 3.43Å; E333-T337 PolarHBondContact O-N 2.91Å; E333-T337 PolarHBondContact O-OG1 3.31Å; N334-T337 PolarHBondContact O-N 2.99Å; A335-T337 VanDerWaalsContact C-N 3.35Å; A335-T337 PolarHBondContact O-N 3.16Å; T337-V339 PolarHBondContact O-N 3.16Å; T337-F340 PolarHBondContact O-N 2.88Å; T337-K341 WeakPolarHBondContact O-CB 3.37Å; T337-K341 PolarHBondContact O-N 3.2Å; T337-F378 HydrophobicContact CG2-CZ 4.14Å |
| 338 | E | 95.9 | Very high | 91.1 | Very high | 37 Ų | 37 | 44.3 Ų | 44.3 | 17% | 0.173 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -67.9 | -33.9 | 178.8 | -169.3 | 62.7 | -154.1 | 0 | 0 | 112.2 | M289 T295 Y297 N334 A335 I336 K341 L342 | M289-E338 HydrophobicContact CE-CG 4.44Å; M289-E338 HydrophobicContact SD-CG 4.28Å; T295-E338 HydrophobicContact CG2-CB 4.21Å; T295-E338 HydrophobicContact CG2-CG 4.29Å; Y297-E338 HydrophobicContact CE2-CG 4.2Å; Y297-E338 PolarHBondContact OH-OE1 2.76Å; N334-E338 WeakPolarHBondContact O-CB 3.48Å; N334-E338 PolarHBondContact O-N 3.3Å; A335-E338 PolarHBondContact O-N 3Å; I336-E338 PolarHBondContact O-N 3.41Å; E338-K341 WeakPolarHBondContact O-CB 3.24Å; E338-K341 PolarHBondContact O-N 3.05Å; E338-K341 IonicContact OE1-NZ 2.71Å; E338-K341 PolarHBondContact OE1-NZ 2.99Å; E338-K341 VanDerWaalsContact OE2-CD 3.25Å; E338-K341 WeakPolarHBondContact OE2-CD 3.24Å; E338-K341 IonicContact OE2-NZ 2.74Å; E338-K341 PolarHBondContact OE2-NZ 3.17Å; E338-L342 PolarHBondContact O-N 3.23Å |
| 339 | V | 96.2 | Very high | 90.4 | Very high | 0 Ų | 0 | 46.9 Ų | 46.9 | 0% | 0 | 25% | 0.245 | C | C | . | . | H | α-helix | trans | -59 | -51.2 | 173.1 | 166.4 | 0 | 0 | 0 | 0 | 111.8 | I252 L254 M289 A335 I336 T337 K341 L342 F343 I360 | I252-V339 HydrophobicContact CB-CG1 4.41Å; I252-V339 HydrophobicContact CD1-CG1 3.87Å; I252-V339 HydrophobicContact CG2-CG1 4.45Å; I252-V339 HydrophobicContact CG2-CG2 3.86Å; L254-V339 HydrophobicContact CD1-CG2 3.84Å; L254-V339 HydrophobicContact CD2-CG2 3.54Å; L254-V339 HydrophobicContact CG-CG2 3.84Å; M289-V339 HydrophobicContact CE-CG2 4.38Å; M289-V339 HydrophobicContact SD-CG2 3.88Å; A335-V339 VanDerWaalsContact O-CG2 3.29Å; A335-V339 WeakPolarHBondContact O-CG2 3.49Å; A335-V339 PolarHBondContact O-N 3.18Å; I336-V339 WeakPolarHBondContact O-CB 3.38Å; I336-V339 PolarHBondContact O-N 3.07Å; T337-V339 PolarHBondContact O-N 3.16Å; V339-K341 VanDerWaalsContact C-N 3.31Å; V339-K341 PolarHBondContact O-N 3.1Å; V339-L342 PolarHBondContact O-N 3.42Å; V339-L342 VanDerWaalsContact O-N 3.16Å; V339-F343 HydrophobicContact CG1-CD2 4Å; V339-F343 HydrophobicContact CG1-CE2 3.75Å; V339-F343 PolarHBondContact O-N 3.32Å; V339-I360 HydrophobicContact CG1-CD1 3.6Å; V339-I360 HydrophobicContact CG1-CG1 3.79Å |
| 340 | F | 95.3 | Very high | 89.6 | Confident | 8 Ų | 8 | 47.6 Ų | 47.6 | 4% | 0.035 | 24% | 0.24 | C | C | . | . | H | α-helix | trans | -69.9 | -31.4 | -179.4 | -76.4 | -73.5 | 0 | 0 | 0 | 112.3 | I336 T337 L342 F343 N344 I360 F375 F378 N379 V384 | I336-F340 HydrophobicContact CG2-CD2 3.86Å; I336-F340 HydrophobicContact CG2-CE2 3.75Å; I336-F340 VanDerWaalsContact O-CD2 3.27Å; I336-F340 WeakPolarHBondContact O-CD2 3.37Å; I336-F340 PolarHBondContact O-N 3.13Å; T337-F340 PolarHBondContact O-N 2.88Å; F340-L342 VanDerWaalsContact C-N 3.34Å; F340-F343 HydrophobicContact CD1-CD2 4.27Å; F340-F343 PolarHBondContact O-N 3.4Å; F340-N344 WeakPolarHBondContact O-CB 3.46Å; F340-N344 PolarHBondContact O-N 2.77Å; F340-N344 PolarHBondContact O-OD1 2.91Å; F340-I360 HydrophobicContact CE2-CD1 4.27Å; F340-I360 HydrophobicContact CZ-CD1 4.09Å; F340-F375 HydrophobicContact CE2-CD1 4.11Å; F340-F375 AromaticContact CE2-CE1 3.88Å; F340-F375 HydrophobicContact CE2-CE1 3.88Å; F340-F375 HydrophobicContact CZ-CD1 4.03Å; F340-F375 AromaticContact CZ-CE1 3.95Å; F340-F375 HydrophobicContact CZ-CE1 3.95Å; F340-F378 HydrophobicContact CB-CB 4.05Å; F340-F378 HydrophobicContact CB-CD1 3.94Å; F340-F378 HydrophobicContact CB-CG 4.04Å; F340-F378 HydrophobicContact CD1-CB 3.81Å; F340-F378 HydrophobicContact CD2-CB 3.38Å; F340-F378 HydrophobicContact CD2-CD2 4.15Å; F340-F378 AromaticContact CD2-CG 3.81Å; F340-F378 HydrophobicContact CD2-CG 3.81Å; F340-F378 HydrophobicContact CE1-CB 4.08Å; F340-F378 HydrophobicContact CE2-CB 3.69Å; F340-F378 HydrophobicContact CE2-CG 4.48Å; F340-F378 HydrophobicContact CG-CB 3.47Å; F340-F378 VanDerWaalsContact CG-CB 3.47Å; F340-F378 HydrophobicContact CG-CD1 4.31Å; F340-F378 AromaticContact CG-CG 3.95Å; F340-F378 HydrophobicContact CG-CG 3.95Å; F340-F378 HydrophobicContact CZ-CB 4.04Å; F340-N379 HydrophobicContact CE1-CB 3.93Å; F340-N379 HydrophobicContact CZ-CB 3.73Å; F340-V384 HydrophobicContact CE1-CB 4.42Å; F340-V384 HydrophobicContact CE1-CG2 4.01Å |
| 341 | K | 94.4 | Very high | 88.2 | Confident | 96 Ų | 96 | 50.7 Ų | 50.7 | 42% | 0.417 | 26% | 0.258 | S | S | . | . | H | α-helix | trans | -61.5 | -40.7 | 169.3 | -176.7 | -170.4 | 173.9 | -164.8 | 0 | 112 | T337 E338 V339 N344 K345 | T337-K341 WeakPolarHBondContact O-CB 3.37Å; T337-K341 PolarHBondContact O-N 3.2Å; E338-K341 WeakPolarHBondContact O-CB 3.24Å; E338-K341 PolarHBondContact O-N 3.05Å; E338-K341 IonicContact OE1-NZ 2.71Å; E338-K341 PolarHBondContact OE1-NZ 2.99Å; E338-K341 VanDerWaalsContact OE2-CD 3.25Å; E338-K341 WeakPolarHBondContact OE2-CD 3.24Å; E338-K341 IonicContact OE2-NZ 2.74Å; E338-K341 PolarHBondContact OE2-NZ 3.17Å; V339-K341 VanDerWaalsContact C-N 3.31Å; V339-K341 PolarHBondContact O-N 3.1Å; K341-N344 PolarHBondContact O-N 3.42Å; K341-K345 WeakPolarHBondContact O-CG 3.3Å; K341-K345 PolarHBondContact O-N 3.03Å |
| 342 | L | 93.6 | Very high | 86.4 | Confident | 0 Ų | 0 | 54.5 Ų | 54.5 | 0% | 0 | 28% | 0.284 | C | S | . | . | H | α-helix | trans | -66.3 | -43.2 | 175 | -177.3 | 64.5 | 0 | 0 | 0 | 112 | I252 N287 M289 Y297 L306 E338 V339 F340 N344 K345 T346 | I252-L342 HydrophobicContact CD1-CB 4.26Å; I252-L342 HydrophobicContact CD1-CD2 3.8Å; I252-L342 HydrophobicContact CD1-CG 4.29Å; I252-L342 HydrophobicContact CG1-CD2 4.29Å; N287-L342 HydrophobicContact CB-CD2 3.98Å; M289-L342 HydrophobicContact CE-CB 3.77Å; M289-L342 HydrophobicContact CE-CD2 3.47Å; M289-L342 VanDerWaalsContact CE-CD2 3.47Å; M289-L342 HydrophobicContact CE-CG 4.22Å; Y297-L342 HydrophobicContact CE1-CD1 4.28Å; Y297-L342 HydrophobicContact CE1-CD2 4.02Å; L306-L342 HydrophobicContact CD2-CD2 3.92Å; E338-L342 PolarHBondContact O-N 3.23Å; V339-L342 PolarHBondContact O-N 3.42Å; V339-L342 VanDerWaalsContact O-N 3.16Å; F340-L342 VanDerWaalsContact C-N 3.34Å; L342-N344 VanDerWaalsContact C-N 3.35Å; L342-N344 PolarHBondContact O-N 2.77Å; L342-K345 PolarHBondContact O-N 3.46Å; L342-T346 PolarHBondContact O-N 2.88Å; L342-T346 PolarHBondContact O-OG1 3.06Å |
| 343 | F | 91.9 | Very high | 84.6 | Confident | 4 Ų | 4 | 57.9 Ų | 57.9 | 2% | 0.018 | 30% | 0.302 | C | S | . | . | H | α-helix | trans | -59 | -46.2 | 174.7 | -77.2 | -47.8 | 0 | 0 | 0 | 111.6 | I252 L306 V339 F340 K345 T346 D347 R358 I360 V384 | I252-F343 HydrophobicContact CB-CZ 4.46Å; I252-F343 HydrophobicContact CD1-CD1 3.9Å; I252-F343 HydrophobicContact CD1-CD2 4Å; I252-F343 HydrophobicContact CD1-CE1 3.6Å; I252-F343 HydrophobicContact CD1-CE2 3.72Å; I252-F343 HydrophobicContact CD1-CG 4.09Å; I252-F343 HydrophobicContact CD1-CZ 3.51Å; I252-F343 HydrophobicContact CG1-CE1 4Å; I252-F343 HydrophobicContact CG1-CE2 4.46Å; I252-F343 HydrophobicContact CG1-CZ 3.86Å; L306-F343 HydrophobicContact CD1-CE1 4.39Å; V339-F343 HydrophobicContact CG1-CD2 4Å; V339-F343 HydrophobicContact CG1-CE2 3.75Å; V339-F343 PolarHBondContact O-N 3.32Å; F340-F343 HydrophobicContact CD1-CD2 4.27Å; F340-F343 PolarHBondContact O-N 3.4Å; F343-K345 PolarHBondContact O-N 2.97Å; F343-T346 WeakPolarHBondContact O-CB 3.08Å; F343-T346 PolarHBondContact O-N 3.08Å; F343-T346 VanDerWaalsContact O-N 3.1Å; F343-D347 PolarHBondContact O-N 3.36Å; F343-R358 HydrophobicContact CE1-CG 4.35Å; F343-I360 HydrophobicContact CE2-CD1 4.44Å; F343-I360 HydrophobicContact CE2-CG1 4.11Å; F343-V384 HydrophobicContact CE2-CG1 3.98Å; F343-V384 HydrophobicContact CE2-CG2 4.4Å; F343-V384 HydrophobicContact CZ-CG1 4.44Å |
| 344 | N | 89.3 | Confident | 82.7 | Confident | 87 Ų | 87 | 58.5 Ų | 58.5 | 47% | 0.465 | 31% | 0.305 | S | S | . | . | H | α-helix | trans | -61 | -44.3 | 178.2 | -69.9 | -9.4 | 0 | 0 | 0 | 112.4 | F340 K341 L342 T346 D347 E348 | F340-N344 WeakPolarHBondContact O-CB 3.46Å; F340-N344 PolarHBondContact O-N 2.77Å; F340-N344 PolarHBondContact O-OD1 2.91Å; K341-N344 PolarHBondContact O-N 3.42Å; L342-N344 VanDerWaalsContact C-N 3.35Å; L342-N344 PolarHBondContact O-N 2.77Å; N344-T346 VanDerWaalsContact C-N 3.27Å; N344-T346 PolarHBondContact O-N 3.47Å; N344-D347 WeakPolarHBondContact O-CB 3.45Å; N344-D347 PolarHBondContact O-N 2.75Å; N344-E348 WeakPolarHBondContact O-CG 3.5Å; N344-E348 PolarHBondContact O-N 3.15Å |
| 345 | K | 88.8 | Confident | 81.4 | Confident | 61 Ų | 61 | 64 Ų | 64 | 27% | 0.265 | 33% | 0.325 | S | S | . | . | H | α-helix | trans | -59.4 | -39 | 173.8 | -74.4 | 177.1 | -180 | 179.8 | 0 | 112.3 | K341 L342 F343 D347 E348 N349 | K341-K345 WeakPolarHBondContact O-CG 3.3Å; K341-K345 PolarHBondContact O-N 3.03Å; L342-K345 PolarHBondContact O-N 3.46Å; F343-K345 PolarHBondContact O-N 2.97Å; K345-D347 VanDerWaalsContact C-N 3.32Å; K345-E348 PolarHBondContact O-N 3.23Å; K345-N349 PolarHBondContact O-N 3.15Å; K345-N349 VanDerWaalsContact O-N 3.12Å; K345-N349 PolarHBondContact O-ND2 3.47Å |
| 346 | T | 84.1 | Confident | 80.7 | Confident | 12 Ų | 12 | 65.6 Ų | 65.6 | 7% | 0.074 | 34% | 0.336 | C | S | . | . | H | α-helix | trans | -65.5 | -39.7 | 178.9 | -53.1 | 0 | 0 | 0 | 0 | 110.6 | L306 L342 F343 N344 N349 F350 | L306-T346 HydrophobicContact CG-CG2 4.46Å; L342-T346 PolarHBondContact O-N 2.88Å; L342-T346 PolarHBondContact O-OG1 3.06Å; F343-T346 WeakPolarHBondContact O-CB 3.08Å; F343-T346 PolarHBondContact O-N 3.08Å; F343-T346 VanDerWaalsContact O-N 3.1Å; N344-T346 VanDerWaalsContact C-N 3.27Å; N344-T346 PolarHBondContact O-N 3.47Å; T346-N349 PolarHBondContact O-N 3.36Å; T346-F350 PolarHBondContact O-N 3.38Å |
| 347 | D | 82.7 | Confident | 80.3 | Confident | 34 Ų | 34 | 66.7 Ų | 66.7 | 18% | 0.182 | 34% | 0.342 | C | S | . | . | H | α-helix | trans | -65.6 | -40.7 | 175.7 | -72.7 | -25.5 | 0 | 0 | 0 | 112.9 | F343 N344 K345 N349 F350 R358 | F343-D347 PolarHBondContact O-N 3.36Å; N344-D347 WeakPolarHBondContact O-CB 3.45Å; N344-D347 PolarHBondContact O-N 2.75Å; K345-D347 VanDerWaalsContact C-N 3.32Å; D347-N349 VanDerWaalsContact C-N 3.32Å; D347-N349 PolarHBondContact O-N 2.82Å; D347-F350 CarbonylContact O-C 3.57Å; D347-F350 PolarHBondContact O-N 3.39Å; D347-R358 IonicContact OD1-CZ 2.62Å; D347-R358 VanDerWaalsContact OD1-CZ 3.3Å; D347-R358 IonicContact OD1-NH1 3.39Å; D347-R358 PolarHBondContact OD1-NH1 3.38Å; D347-R358 IonicContact OD1-NH2 2.83Å; D347-R358 PolarHBondContact OD1-NH2 2.58Å; D347-R358 IonicContact OD2-CZ 2.9Å; D347-R358 IonicContact OD2-NH1 3.49Å; D347-R358 PolarHBondContact OD2-NH1 3.44Å; D347-R358 IonicContact OD2-NH2 3.27Å |
| 348 | E | 82.4 | Confident | 80.2 | Confident | 154 Ų | 154 | 66.1 Ų | 66.1 | 72% | 0.72 | 33% | 0.334 | S | S | * | . | H | α-helix | trans | -62.1 | -40 | 175.6 | -73 | 175.6 | 179.9 | 0 | 0 | 112 | N344 K345 | N344-E348 WeakPolarHBondContact O-CG 3.5Å; N344-E348 PolarHBondContact O-N 3.15Å; K345-E348 PolarHBondContact O-N 3.23Å |
| 349 | N | 75.9 | Confident | 80.2 | Confident | 90 Ų | 90 | 64.3 Ų | 64.3 | 48% | 0.481 | 33% | 0.325 | S | S | . | . | H | α-helix | trans | -75.6 | -31.1 | 179.8 | -71.5 | -25.2 | 0 | 0 | 0 | 113 | K345 T346 D347 | K345-N349 PolarHBondContact O-N 3.15Å; K345-N349 VanDerWaalsContact O-N 3.12Å; K345-N349 PolarHBondContact O-ND2 3.47Å; T346-N349 PolarHBondContact O-N 3.36Å; D347-N349 VanDerWaalsContact C-N 3.32Å; D347-N349 PolarHBondContact O-N 2.82Å |
| 350 | F | 70.2 | Confident | 80.2 | Confident | 112 Ų | 112 | 64.4 Ų | 64.4 | 49% | 0.491 | 33% | 0.326 | S | S | . | . | trans | -135.2 | 70 | -173.9 | -60.4 | -79.1 | 0 | 0 | 0 | 113 | T346 D347 S352 N353 | T346-F350 PolarHBondContact O-N 3.38Å; D347-F350 CarbonylContact O-C 3.57Å; D347-F350 PolarHBondContact O-N 3.39Å; F350-S352 PolarHBondContact O-N 2.6Å; F350-N353 HydrophobicContact CB-CB 4.26Å; F350-N353 PolarHBondContact O-N 3.01Å; F350-N353 VanDerWaalsContact O-N 3.17Å | ||
| 351 | P | 58.4 | Low | 80.3 | Confident | 90 Ų | 90 | 64 Ų | 64 | 58% | 0.584 | 32% | 0.324 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -64.4 | -17.3 | -172.7 | 22.4 | -32.6 | 0 | 0 | 0 | 114.5 | H354 | P351-H354 PolarHBondContact O-CE1 3.13Å; P351-H354 PolarHBondContact O-ND1 3.4Å |
| 352 | S | 53.8 | Low | 80.4 | Confident | 109 Ų | 109 | 59.4 Ų | 59.4 | 76% | 0.762 | 30% | 0.304 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -86.1 | -6.2 | 179.7 | 46.4 | 0 | 0 | 0 | 0 | 114.7 | F350 H354 | F350-S352 PolarHBondContact O-N 2.6Å; S352-H354 PolarHBondContact O-N 2.96Å |
| 353 | N | 55.9 | Low | 80.5 | Confident | 72 Ų | 72 | 59.4 Ų | 59.4 | 39% | 0.385 | 30% | 0.304 | S | S | . | . | trans | -95.2 | 21.2 | -166.3 | -125.6 | 10.9 | 0 | 0 | 0 | 116.3 | F350 K355 | F350-N353 HydrophobicContact CB-CB 4.26Å; F350-N353 PolarHBondContact O-N 3.01Å; F350-N353 VanDerWaalsContact O-N 3.17Å; N353-K355 PolarHBondContact O-N 3.1Å | ||
| 354 | H | 51.2 | Low | 80.6 | Confident | 126 Ų | 126 | 59.2 Ų | 59.2 | 58% | 0.583 | 30% | 0.303 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -67.8 | 19.8 | -171.3 | -73.1 | 84.1 | 0 | 0 | 0 | 117 | P351 S352 | P351-H354 PolarHBondContact O-CE1 3.13Å; P351-H354 PolarHBondContact O-ND1 3.4Å; S352-H354 PolarHBondContact O-N 2.96Å |
| 355 | K | 66.2 | Low | 80.6 | Confident | 196 Ų | 196 | 56.2 Ų | 56.2 | 85% | 0.852 | 29% | 0.287 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -111.9 | 2.2 | -168.1 | -64.8 | -172.1 | -179.1 | 178.9 | 0 | 115.8 | N353 | N353-K355 PolarHBondContact O-N 3.1Š|
| 356 | C | 78.2 | Confident | 80.4 | Confident | 34 Ų | 34 | 55.4 Ų | 55.4 | 23% | 0.23 | 29% | 0.289 | C | S | . | . | S | Bend | trans | -93.1 | 157.6 | -177.2 | -64.3 | 0 | 0 | 0 | 0 | 113.5 | E250 R358 | E250-C356 HydrophobicContact CB-CB 4.5Å; E250-C356 HydrophobicContact CG-CB 3.74Å; C356-R358 PolarHBondContact O-N 2.92Å |
| 357 | N | 88.2 | Confident | 80.3 | Confident | 24 Ų | 24 | 55 Ų | 55 | 13% | 0.128 | 29% | 0.287 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -76.2 | 105.4 | 172.6 | -79 | -39.1 | 0 | 0 | 0 | 110.3 | P248 K249 E250 M359 | P248-N357 PolarHBondContact O-N 3.2Å; K249-N357 WeakPolarHBondContact CA-O 3.31Å; E250-N357 PolarHBondContact N-O 2.64Å; N357-M359 HydrophobicContact CB-CE 4.37Å |
| 358 | R | 92.6 | Very high | 80.2 | Confident | 42 Ų | 42 | 58 Ų | 58 | 16% | 0.158 | 31% | 0.308 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -79.4 | 134.2 | 175.9 | -71.7 | -176.6 | -179.9 | 171 | 7.6 | 112.7 | E250 F343 D347 C356 V384 R385 | E250-R358 HydrophobicContact CB-CG 4.05Å; E250-R358 WeakPolarHBondContact O-CA 3.48Å; E250-R358 VanDerWaalsContact OE2-CG 3.28Å; E250-R358 WeakPolarHBondContact OE2-CG 3.37Å; E250-R358 IonicContact OE2-CZ 3.92Å; E250-R358 IonicContact OE2-NE 3.81Å; E250-R358 PolarHBondContact OE2-NE 3.37Å; E250-R358 IonicContact OE2-NH2 3.77Å; E250-R358 PolarHBondContact OE2-NH2 3.2Å; F343-R358 HydrophobicContact CE1-CG 4.35Å; D347-R358 IonicContact OD1-CZ 2.62Å; D347-R358 VanDerWaalsContact OD1-CZ 3.3Å; D347-R358 IonicContact OD1-NH1 3.39Å; D347-R358 PolarHBondContact OD1-NH1 3.38Å; D347-R358 IonicContact OD1-NH2 2.83Å; D347-R358 PolarHBondContact OD1-NH2 2.58Å; D347-R358 IonicContact OD2-CZ 2.9Å; D347-R358 IonicContact OD2-NH1 3.49Å; D347-R358 PolarHBondContact OD2-NH1 3.44Å; D347-R358 IonicContact OD2-NH2 3.27Å; C356-R358 PolarHBondContact O-N 2.92Å; R358-V384 HydrophobicContact CB-CB 4.41Å; R358-V384 HydrophobicContact CB-CG1 4.34Å; R358-V384 HydrophobicContact CB-CG2 3.98Å; R358-R385 PolarHBondContact O-N 3.42Å |
| 359 | M | 94.6 | Very high | 80.2 | Confident | 0 Ų | 0 | 51.6 Ų | 51.6 | 0% | 0 | 28% | 0.283 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -150.7 | 153.2 | 178.4 | 56.8 | -171 | 54.6 | 0 | 0 | 114.6 | K249 E250 M251 I252 N357 M361 R385 F387 Y428 I432 | K249-M359 HydrophobicContact CB-SD 4.42Å; K249-M359 HydrophobicContact CD-CE 4.27Å; K249-M359 HydrophobicContact CD-SD 4.07Å; K249-M359 HydrophobicContact CG-CE 4.17Å; K249-M359 HydrophobicContact CG-SD 4.32Å; E250-M359 PolarHBondContact O-N 2.89Å; M251-M359 WeakPolarHBondContact CA-O 3.1Å; M251-M359 HydrophobicContact CB-CG 3.99Å; M251-M359 HydrophobicContact CE-CG 4.19Å; M251-M359 HydrophobicContact CE-SD 3.45Å; M251-M359 WeakPolarHBondContact CE-SD 3.4Å; M251-M359 HydrophobicContact CG-CG 4.05Å; I252-M359 PolarHBondContact N-O 3.37Å; N357-M359 HydrophobicContact CB-CE 4.37Å; M359-M361 HydrophobicContact CG-CE 4.42Å; M359-M361 HydrophobicContact SD-CE 3.58Å; M359-M361 VanDerWaalsContact SD-CE 3.58Å; M359-R385 CarbonylContact C-O 3.52Å; M359-R385 WeakPolarHBondContact CA-O 3.47Å; M359-R385 HydrophobicContact CB-CB 4.4Å; M359-R385 WeakPolarHBondContact CB-O 3.38Å; M359-F387 HydrophobicContact CB-CD2 4.25Å; M359-F387 HydrophobicContact CB-CE2 4.15Å; M359-F387 HydrophobicContact CE-CE2 4.15Å; M359-F387 HydrophobicContact SD-CE2 4.37Å; M359-Y428 HydrophobicContact SD-CE2 4.19Å; M359-I432 HydrophobicContact CE-CG2 3.57Å |
| 360 | I | 97.4 | Very high | 80.7 | Confident | 1 Ų | 1 | 49.7 Ų | 49.7 | 1% | 0.005 | 28% | 0.277 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.9 | 125.7 | 173.6 | -56.3 | 166.5 | 0 | 0 | 0 | 107.1 | I252 L254 V339 F340 F343 I362 F375 V384 R385 V386 F387 | I252-I360 CarbonylContact O-C 3.58Å; I252-I360 WeakPolarHBondContact O-CA 3.45Å; L254-I360 HydrophobicContact CD1-CG2 4.14Å; L254-I360 HydrophobicContact CG-CG2 4.24Å; V339-I360 HydrophobicContact CG1-CD1 3.6Å; V339-I360 HydrophobicContact CG1-CG1 3.79Å; F340-I360 HydrophobicContact CE2-CD1 4.27Å; F340-I360 HydrophobicContact CZ-CD1 4.09Å; F343-I360 HydrophobicContact CE2-CD1 4.44Å; F343-I360 HydrophobicContact CE2-CG1 4.11Å; I360-I362 HydrophobicContact CG2-CD1 4.3Å; I360-I362 HydrophobicContact CG2-CG1 3.81Å; I360-F375 HydrophobicContact CD1-CE1 4.13Å; I360-V384 HydrophobicContact CD1-CG1 3.74Å; I360-V384 HydrophobicContact CG1-CG1 3.69Å; I360-R385 PolarHBondContact N-O 3.12Å; I360-V386 HydrophobicContact CB-CG2 4.42Å; I360-V386 HydrophobicContact CD1-CG2 4.32Å; I360-F387 PolarHBondContact O-N 3.46Å |
| 361 | M | 97.1 | Very high | 81.7 | Confident | 0 Ų | 0 | 46 Ų | 46 | 0% | 0 | 26% | 0.26 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.4 | 113.4 | 174.6 | -65 | -71.8 | 176.3 | 0 | 0 | 108.2 | M251 I252 I253 L254 I276 M359 F387 Y389 Y428 | M251-M361 HydrophobicContact CE-CE 3.47Å; M251-M361 VanDerWaalsContact CE-CE 3.47Å; M251-M361 HydrophobicContact CE-CG 4.1Å; M251-M361 HydrophobicContact CG-CG 3.81Å; M251-M361 HydrophobicContact SD-CE 4.3Å; M251-M361 HydrophobicContact SD-CG 3.65Å; I252-M361 PolarHBondContact O-N 3.3Å; I253-M361 CarbonylContact C-O 3.44Å; I253-M361 WeakPolarHBondContact CA-O 3.36Å; I253-M361 HydrophobicContact CB-CB 4.49Å; I253-M361 HydrophobicContact CG1-CB 4.23Å; I253-M361 HydrophobicContact CG2-CB 4.35Å; L254-M361 PolarHBondContact N-O 2.82Å; I276-M361 HydrophobicContact CD1-CB 4.31Å; I276-M361 HydrophobicContact CG2-CG 4.23Å; M359-M361 HydrophobicContact CG-CE 4.42Å; M359-M361 HydrophobicContact SD-CE 3.58Å; M359-M361 VanDerWaalsContact SD-CE 3.58Å; M361-F387 CarbonylContact C-O 3.57Å; M361-F387 WeakPolarHBondContact CA-O 3.32Å; M361-F387 HydrophobicContact CE-CB 4.24Å; M361-F387 HydrophobicContact CE-CD2 3.65Å; M361-F387 HydrophobicContact CE-CE2 4.24Å; M361-F387 HydrophobicContact CE-CG 4.02Å; M361-F387 HydrophobicContact SD-CB 3.44Å; M361-F387 WeakPolarHBondContact SD-CB 3.3Å; M361-F387 HydrophobicContact SD-CD2 3.93Å; M361-F387 HydrophobicContact SD-CG 3.89Å; M361-Y389 HydrophobicContact CB-CE2 4.33Å; M361-Y389 HydrophobicContact SD-CE2 3.62Å; M361-Y428 HydrophobicContact CE-CD1 3.84Å; M361-Y428 HydrophobicContact CE-CD2 3.59Å; M361-Y428 HydrophobicContact CE-CE1 4.13Å; M361-Y428 HydrophobicContact CE-CE2 3.82Å; M361-Y428 HydrophobicContact CE-CG 3.63Å |
| 362 | I | 96.2 | Very high | 83.2 | Confident | 0 Ų | 0 | 45 Ų | 45 | 0% | 0 | 25% | 0.248 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.6 | 121.7 | -177.6 | -55.9 | 178.8 | 0 | 0 | 0 | 108.9 | L254 Y332 I360 T364 V386 F387 T388 Y389 L404 | L254-I362 HydrophobicContact CB-CG1 4.32Å; L254-I362 HydrophobicContact CD1-CG1 4.26Å; L254-I362 WeakPolarHBondContact O-CA 3.31Å; Y332-I362 HydrophobicContact CE1-CG2 4.07Å; I360-I362 HydrophobicContact CG2-CD1 4.3Å; I360-I362 HydrophobicContact CG2-CG1 3.81Å; I362-T364 HydrophobicContact CG2-CG2 4.24Å; I362-V386 HydrophobicContact CD1-CG1 3.77Å; I362-V386 HydrophobicContact CG1-CG1 4.37Å; I362-F387 PolarHBondContact N-O 2.86Å; I362-T388 HydrophobicContact CB-CG2 4.12Å; I362-T388 HydrophobicContact CG2-CG2 4.24Å; I362-T388 CarbonylContact O-C 3.44Å; I362-T388 WeakPolarHBondContact O-CA 3.39Å; I362-Y389 PolarHBondContact O-N 3.16Å; I362-L404 HydrophobicContact CD1-CD2 3.74Å |
| 363 | I | 95.4 | Very high | 85 | Confident | 0 Ų | 0 | 44.7 Ų | 44.7 | 0% | 0 | 23% | 0.234 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.7 | 120.5 | 175.4 | -57 | 170.1 | 0 | 0 | 0 | 108.2 | I253 L254 I255 D256 S269 T272 A273 I276 Y389 L391 | I253-I363 HydrophobicContact CG2-CD1 4.18Å; L254-I363 PolarHBondContact O-N 2.86Å; I255-I363 HydrophobicContact CG1-CD1 4.38Å; D256-I363 WeakPolarHBondContact CB-O 3.27Å; D256-I363 PolarHBondContact N-O 3.25Å; S269-I363 WeakPolarHBondContact OG-CG2 3.35Å; T272-I363 HydrophobicContact CG2-CD1 3.94Å; T272-I363 HydrophobicContact CG2-CG1 4.17Å; A273-I363 HydrophobicContact CB-CD1 3.78Å; I276-I363 HydrophobicContact CD1-CD1 4Å; I276-I363 HydrophobicContact CD1-CG1 4.34Å; I363-Y389 HydrophobicContact CG1-CD2 4.09Å; I363-Y389 HydrophobicContact CG1-CG 4.47Å; I363-L391 HydrophobicContact CG2-CD1 3.84Å; I363-L391 HydrophobicContact CG2-CD2 4.26Å; I363-L391 HydrophobicContact CG2-CG 4.17Å |
| 364 | T | 93.4 | Very high | 86.7 | Confident | 0 Ų | 0 | 41.5 Ų | 41.5 | 0% | 0 | 22% | 0.217 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -159.8 | 160.4 | -172.5 | -177.5 | 0 | 0 | 0 | 0 | 112.3 | D256 Y332 I362 S366 T388 Y389 L390 L391 | D256-T364 PolarHBondContact OD2-OG1 2.97Å; Y332-T364 WeakPolarHBondContact OH-CB 3.2Å; Y332-T364 WeakPolarHBondContact OH-CG2 3.34Å; Y332-T364 PolarHBondContact OH-OG1 2.9Å; I362-T364 HydrophobicContact CG2-CG2 4.24Å; T364-S366 PolarHBondContact OG1-N 3.23Å; T364-S366 PolarHBondContact OG1-O 3.2Å; T364-T388 HydrophobicContact CG2-CG2 4.17Å; T364-Y389 PolarHBondContact N-O 3.45Å; T364-Y389 VanDerWaalsContact O-O 3.08Å; T364-L390 CarbonylContact O-C 3.53Å; T364-L390 WeakPolarHBondContact O-CA 3.23Å; T364-L391 PolarHBondContact O-N 2.89Å |
| 365 | D | 89.5 | Confident | 88.8 | Confident | 24 Ų | 24 | 35.6 Ų | 35.6 | 13% | 0.128 | 19% | 0.189 | C | C | . | . | S | Bend | trans | -91.1 | -13.1 | 166.5 | 59.1 | 12.8 | 0 | 0 | 0 | 113.3 | S260 M261 L390 | S260-D365 WeakPolarHBondContact CB-OD2 3.35Å; S260-D365 PolarHBondContact OG-OD1 3.49Å; S260-D365 PolarHBondContact OG-OD2 3.39Å; M261-D365 HydrophobicContact CE-CB 3.12Å; M261-D365 WeakPolarHBondContact CE-OD2 3.49Å; D365-L390 VanDerWaalsContact C-CD1 3.44Å; D365-L390 VanDerWaalsContact O-CD1 3.22Å; D365-L390 WeakPolarHBondContact O-CD1 3.1Å |
| 366 | S | 85.4 | Confident | 90.1 | Very high | 43 Ų | 43 | 31.7 Ų | 31.7 | 30% | 0.301 | 17% | 0.173 | S | C | . | . | trans | -164.3 | 151.6 | -170.8 | 61 | 0 | 0 | 0 | 0 | 113.8 | Y332 T364 | Y332-S366 PolarHBondContact OH-O 2.9Å; T364-S366 PolarHBondContact OG1-N 3.23Å; T364-S366 PolarHBondContact OG1-O 3.2Å | ||
| 367 | A | 82.5 | Confident | 90.8 | Very high | 4 Ų | 4 | 36.2 Ų | 36.2 | 3% | 0.033 | 19% | 0.19 | C | C | . | . | trans | -126.6 | 115.6 | 168 | 0 | 0 | 0 | 0 | 0 | 107.7 | G369 V401 | A367-G369 VanDerWaalsContact C-N 3.25Å; A367-G369 PolarHBondContact O-N 3.32Å; A367-V401 HydrophobicContact CB-CG2 3.76Å | ||
| 368 | P | 79 | Confident | 91 | Very high | 97 Ų | 97 | 38.2 Ų | 38.2 | 63% | 0.63 | 20% | 0.198 | S | C | * | . | trans | -74.9 | -10.8 | -170.8 | 29 | -35.4 | 0 | 0 | 0 | 114.1 | Y371 | P368-Y371 VanDerWaalsContact CD-OH 3.25Å; P368-Y371 WeakPolarHBondContact CD-OH 3.48Å; P368-Y371 WeakPolarHBondContact CG-OH 3.32Å | ||
| 369 | G | 83.8 | Confident | 91 | Very high | 19 Ų | 19 | 36.5 Ų | 36.5 | 20% | 0.196 | 19% | 0.192 | C | C | . | . | S | Bend | trans | -174.1 | -175.6 | 175.7 | 0 | 0 | 0 | 0 | 0 | 113.2 | A367 Y371 | A367-G369 VanDerWaalsContact C-N 3.25Å; A367-G369 PolarHBondContact O-N 3.32Å; G369-Y371 WeakPolarHBondContact O-CD2 3.48Å; G369-Y371 VanDerWaalsContact O-CE2 3.27Å; G369-Y371 WeakPolarHBondContact O-CE2 3.5Å |
| 370 | S | 86.1 | Confident | 90.9 | Very high | 50 Ų | 50 | 40.9 Ų | 40.9 | 35% | 0.35 | 22% | 0.22 | S | C | . | . | trans | -76.8 | 130.6 | 177.3 | -177.6 | 0 | 0 | 0 | 0 | 111.4 | E372 E403 | S370-E372 PolarHBondContact OG-N 3.26Å; S370-E403 WeakPolarHBondContact CB-OE2 3.49Å; S370-E403 PolarHBondContact OG-OE1 3.29Å; S370-E403 PolarHBondContact OG-OE2 3.16Å | ||
| 371 | Y | 90.4 | Very high | 90.5 | Very high | 34 Ų | 34 | 47.3 Ų | 47.3 | 13% | 0.133 | 25% | 0.251 | C | S | . | . | trans | -105.4 | 19.1 | 175.9 | -61.8 | -72.8 | 0 | 0 | 0 | 112.5 | Y332 I336 P368 G369 H373 L374 F375 | Y332-Y371 VanDerWaalsContact CB-CE1 3.45Å; Y332-Y371 WeakPolarHBondContact CB-OH 3.37Å; Y332-Y371 HydrophobicContact CD1-CD2 4.34Å; Y332-Y371 AromaticContact CD1-CE2 3.93Å; Y332-Y371 HydrophobicContact CD1-CE2 3.93Å; Y332-Y371 AromaticContact CD2-CE2 3.96Å; Y332-Y371 HydrophobicContact CD2-CE2 3.96Å; Y332-Y371 AromaticContact CD2-CZ 3.81Å; Y332-Y371 VanDerWaalsContact CD2-OH 3.3Å; Y332-Y371 WeakPolarHBondContact CD2-OH 3.45Å; Y332-Y371 HydrophobicContact CG-CD2 4.33Å; Y332-Y371 HydrophobicContact CG-CE1 4.25Å; Y332-Y371 AromaticContact CG-CE2 3.58Å; Y332-Y371 HydrophobicContact CG-CE2 3.58Å; Y332-Y371 AromaticContact CG-CZ 3.55Å; I336-Y371 HydrophobicContact CD1-CG 4.21Å; P368-Y371 VanDerWaalsContact CD-OH 3.25Å; P368-Y371 WeakPolarHBondContact CD-OH 3.48Å; P368-Y371 WeakPolarHBondContact CG-OH 3.32Å; G369-Y371 WeakPolarHBondContact O-CD2 3.48Å; G369-Y371 VanDerWaalsContact O-CE2 3.27Å; G369-Y371 WeakPolarHBondContact O-CE2 3.5Å; Y371-H373 PolarHBondContact O-N 2.65Å; Y371-H373 VanDerWaalsContact O-N 3.16Å; Y371-L374 HydrophobicContact CD1-CD1 4.07Å; Y371-L374 PolarHBondContact O-N 2.97Å; Y371-F375 WeakPolarHBondContact O-CD2 3.37Å | ||
| 372 | E | 90 | Very high | 90.2 | Very high | 71 Ų | 71 | 49.2 Ų | 49.2 | 33% | 0.332 | 26% | 0.259 | S | S | . | . | H | α-helix | trans | -54.1 | -38.5 | -176 | -173.5 | -169.6 | -163.4 | 0 | 0 | 112.6 | S370 L374 F375 K376 L407 | S370-E372 PolarHBondContact OG-N 3.26Å; E372-L374 PolarHBondContact O-N 2.96Å; E372-F375 PolarHBondContact O-N 3.06Å; E372-K376 HydrophobicContact CG-CD 4.1Å; E372-K376 HydrophobicContact CG-CG 4.34Å; E372-K376 PolarHBondContact O-N 2.98Å; E372-K376 WeakPolarHBondContact OE1-CE 3.32Å; E372-K376 IonicContact OE1-NZ 3.26Å; E372-K376 PolarHBondContact OE1-NZ 2.93Å; E372-K376 IonicContact OE2-NZ 2.84Å; E372-K376 PolarHBondContact OE2-NZ 2.79Å; E372-L407 HydrophobicContact CB-CD1 4.19Å; E372-L407 HydrophobicContact CG-CD1 3.81Å |
| 373 | H | 92.5 | Very high | 89.8 | Confident | 102 Ų | 102 | 53.7 Ų | 53.7 | 47% | 0.472 | 28% | 0.283 | S | S | . | . | H | α-helix | trans | -58.7 | -43.1 | -178.8 | 70.9 | -81.1 | 0 | 0 | 0 | 112.6 | Y371 F375 K376 E377 | Y371-H373 PolarHBondContact O-N 2.65Å; Y371-H373 VanDerWaalsContact O-N 3.16Å; H373-F375 VanDerWaalsContact C-N 3.35Å; H373-F375 PolarHBondContact O-N 3.19Å; H373-K376 WeakPolarHBondContact O-CB 3.36Å; H373-K376 PolarHBondContact O-N 3.15Å; H373-E377 PolarHBondContact O-N 3.49Å |
| 374 | L | 92.1 | Very high | 89.7 | Confident | 5 Ų | 5 | 54.1 Ų | 54.1 | 3% | 0.026 | 29% | 0.285 | C | S | . | . | H | α-helix | trans | -63 | -41.7 | 177.6 | -60.9 | 175.4 | 0 | 0 | 0 | 111.3 | E333 I336 Y371 E372 K376 E377 F378 | E333-L374 HydrophobicContact CB-CD1 4.26Å; E333-L374 HydrophobicContact CG-CD1 4.19Å; E333-L374 HydrophobicContact CG-CD2 4.21Å; I336-L374 HydrophobicContact CB-CD1 4.16Å; I336-L374 HydrophobicContact CD1-CD1 3.85Å; I336-L374 HydrophobicContact CG2-CB 4.11Å; I336-L374 HydrophobicContact CG2-CD1 4.24Å; Y371-L374 HydrophobicContact CD1-CD1 4.07Å; Y371-L374 PolarHBondContact O-N 2.97Å; E372-L374 PolarHBondContact O-N 2.96Å; L374-K376 VanDerWaalsContact C-N 3.33Å; L374-K376 PolarHBondContact O-N 2.88Å; L374-E377 PolarHBondContact O-N 3.47Å; L374-F378 HydrophobicContact CB-CD2 4.43Å; L374-F378 HydrophobicContact CD2-CE2 4.33Å; L374-F378 VanDerWaalsContact O-CD2 3.28Å; L374-F378 WeakPolarHBondContact O-CD2 3.36Å; L374-F378 PolarHBondContact O-N 2.95Å |
| 375 | F | 93.7 | Very high | 89.7 | Confident | 1 Ų | 1 | 55.9 Ų | 55.9 | 0% | 0.004 | 29% | 0.292 | C | S | . | . | H | α-helix | trans | -77.7 | -17.2 | 178.5 | -71 | -83.8 | 0 | 0 | 0 | 113.7 | I336 F340 I360 Y371 E372 H373 N379 K382 V386 L404 N408 | I336-F375 HydrophobicContact CD1-CE2 3.71Å; I336-F375 HydrophobicContact CD1-CZ 4.11Å; I336-F375 HydrophobicContact CG1-CE2 4.31Å; I336-F375 HydrophobicContact CG1-CZ 4.22Å; I336-F375 HydrophobicContact CG2-CE2 4.23Å; I336-F375 HydrophobicContact CG2-CZ 4.07Å; F340-F375 HydrophobicContact CE2-CD1 4.11Å; F340-F375 AromaticContact CE2-CE1 3.88Å; F340-F375 HydrophobicContact CE2-CE1 3.88Å; F340-F375 HydrophobicContact CZ-CD1 4.03Å; F340-F375 AromaticContact CZ-CE1 3.95Å; F340-F375 HydrophobicContact CZ-CE1 3.95Å; I360-F375 HydrophobicContact CD1-CE1 4.13Å; Y371-F375 WeakPolarHBondContact O-CD2 3.37Å; E372-F375 PolarHBondContact O-N 3.06Å; H373-F375 VanDerWaalsContact C-N 3.35Å; H373-F375 PolarHBondContact O-N 3.19Å; F375-N379 HydrophobicContact CD1-CB 4.22Å; F375-N379 CarbonylContact O-C 3.41Å; F375-N379 WeakPolarHBondContact O-CA 3.49Å; F375-N379 PolarHBondContact O-N 2.58Å; F375-K382 PolarHBondContact O-NZ 2.96Å; F375-K382 VanDerWaalsContact O-NZ 3.1Å; F375-V386 HydrophobicContact CD1-CG2 4.25Å; F375-V386 HydrophobicContact CE1-CG2 3.51Å; F375-V386 HydrophobicContact CZ-CG2 3.94Å; F375-L404 HydrophobicContact CD2-CD1 3.84Å; F375-L404 HydrophobicContact CE2-CD1 3.24Å; F375-L404 HydrophobicContact CZ-CD1 3.87Å; F375-N408 WeakPolarHBondContact CB-OD1 3.41Å; F375-N408 WeakPolarHBondContact CD1-OD1 3.49Å; F375-N408 WeakPolarHBondContact CG-ND2 3.33Å |
| 376 | K | 93.1 | Very high | 90 | Very high | 115 Ų | 115 | 54.8 Ų | 54.8 | 50% | 0.5 | 29% | 0.286 | S | S | . | . | H | α-helix | trans | -74.2 | -36.9 | 167.5 | -79.7 | 174.2 | 173.4 | 160.6 | 0 | 110.8 | E372 H373 L374 | E372-K376 HydrophobicContact CG-CD 4.1Å; E372-K376 HydrophobicContact CG-CG 4.34Å; E372-K376 PolarHBondContact O-N 2.98Å; E372-K376 WeakPolarHBondContact OE1-CE 3.32Å; E372-K376 IonicContact OE1-NZ 3.26Å; E372-K376 PolarHBondContact OE1-NZ 2.93Å; E372-K376 IonicContact OE2-NZ 2.84Å; E372-K376 PolarHBondContact OE2-NZ 2.79Å; H373-K376 WeakPolarHBondContact O-CB 3.36Å; H373-K376 PolarHBondContact O-N 3.15Å; L374-K376 VanDerWaalsContact C-N 3.33Å; L374-K376 PolarHBondContact O-N 2.88Å |
| 377 | E | 93.3 | Very high | 90.6 | Very high | 129 Ų | 129 | 52.9 Ų | 52.9 | 60% | 0.603 | 27% | 0.272 | S | S | * | . | H | α-helix | trans | -72 | -58.2 | 176.1 | -178.1 | 175.6 | 177.6 | 0 | 0 | 112.1 | H373 L374 | H373-E377 PolarHBondContact O-N 3.49Å; L374-E377 PolarHBondContact O-N 3.47Å |
| 378 | F | 92.5 | Very high | 91.2 | Very high | 66 Ų | 66 | 52.7 Ų | 52.7 | 29% | 0.289 | 27% | 0.271 | S | S | . | . | H | α-helix | trans | -88.7 | -23 | -170.7 | -65.3 | -68.7 | 0 | 0 | 0 | 114.7 | T337 F340 L374 P380 | T337-F378 HydrophobicContact CG2-CZ 4.14Å; F340-F378 HydrophobicContact CB-CB 4.05Å; F340-F378 HydrophobicContact CB-CD1 3.94Å; F340-F378 HydrophobicContact CB-CG 4.04Å; F340-F378 HydrophobicContact CD1-CB 3.81Å; F340-F378 HydrophobicContact CD2-CB 3.38Å; F340-F378 HydrophobicContact CD2-CD2 4.15Å; F340-F378 AromaticContact CD2-CG 3.81Å; F340-F378 HydrophobicContact CD2-CG 3.81Å; F340-F378 HydrophobicContact CE1-CB 4.08Å; F340-F378 HydrophobicContact CE2-CB 3.69Å; F340-F378 HydrophobicContact CE2-CG 4.48Å; F340-F378 HydrophobicContact CG-CB 3.47Å; F340-F378 VanDerWaalsContact CG-CB 3.47Å; F340-F378 HydrophobicContact CG-CD1 4.31Å; F340-F378 AromaticContact CG-CG 3.95Å; F340-F378 HydrophobicContact CG-CG 3.95Å; F340-F378 HydrophobicContact CZ-CB 4.04Å; L374-F378 HydrophobicContact CB-CD2 4.43Å; L374-F378 HydrophobicContact CD2-CE2 4.33Å; L374-F378 VanDerWaalsContact O-CD2 3.28Å; L374-F378 WeakPolarHBondContact O-CD2 3.36Å; L374-F378 PolarHBondContact O-N 2.95Å; F378-P380 VanDerWaalsContact C-CD 3.46Å |
| 379 | N | 93.6 | Very high | 92 | Very high | 6 Ų | 6 | 48.3 Ų | 48.3 | 3% | 0.032 | 24% | 0.242 | C | C | . | . | trans | -133.1 | 54 | -177.7 | -171.2 | 27.6 | 0 | 0 | 0 | 112.7 | F340 F375 Q381 K382 N383 V384 | F340-N379 HydrophobicContact CE1-CB 3.93Å; F340-N379 HydrophobicContact CZ-CB 3.73Å; F375-N379 HydrophobicContact CD1-CB 4.22Å; F375-N379 CarbonylContact O-C 3.41Å; F375-N379 WeakPolarHBondContact O-CA 3.49Å; F375-N379 PolarHBondContact O-N 2.58Å; N379-Q381 VanDerWaalsContact C-N 3.28Å; N379-Q381 PolarHBondContact O-N 2.82Å; N379-K382 WeakPolarHBondContact O-CD 3.22Å; N379-K382 PolarHBondContact O-N 2.93Å; N379-K382 VanDerWaalsContact O-N 3.09Å; N379-K382 WeakPolarHBondContact OD1-CA 3.44Å; N379-K382 PolarHBondContact OD1-N 3.11Å; N379-N383 PolarHBondContact OD1-N 2.97Å; N379-V384 PolarHBondContact ND2-O 3.43Å; N379-V384 PolarHBondContact OD1-N 2.74Å | ||
| 380 | P | 91.8 | Very high | 92.4 | Very high | 91 Ų | 91 | 47.5 Ų | 47.5 | 59% | 0.591 | 23% | 0.233 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -61.9 | -34.7 | -174.4 | 24 | -34.2 | 0 | 0 | 0 | 113 | F378 K382 | F378-P380 VanDerWaalsContact C-CD 3.46Å; P380-K382 VanDerWaalsContact C-N 3.3Å; P380-K382 PolarHBondContact O-N 2.91Å |
| 381 | Q | 89 | Confident | 92.6 | Very high | 137 Ų | 137 | 45.3 Ų | 45.3 | 64% | 0.64 | 22% | 0.217 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -81.1 | -8.4 | -179.9 | -63.9 | -175.5 | -1.8 | 0 | 0 | 113.8 | N379 N383 | N379-Q381 VanDerWaalsContact C-N 3.28Å; N379-Q381 PolarHBondContact O-N 2.82Å; Q381-N383 VanDerWaalsContact C-N 3.28Å; Q381-N383 PolarHBondContact O-N 2.92Å; Q381-N383 PolarHBondContact O-OD1 2.81Å; Q381-N383 PolarHBondContact OE1-ND2 2.78Å |
| 382 | K | 90.2 | Very high | 92.2 | Very high | 39 Ų | 39 | 44.8 Ų | 44.8 | 17% | 0.17 | 22% | 0.222 | C | C | . | . | trans | 56.6 | 42.1 | -175.7 | -50.1 | -60.6 | 176.9 | -167.6 | 0 | 112.3 | F375 N379 P380 L407 N408 R409 | F375-K382 PolarHBondContact O-NZ 2.96Å; F375-K382 VanDerWaalsContact O-NZ 3.1Å; N379-K382 WeakPolarHBondContact O-CD 3.22Å; N379-K382 PolarHBondContact O-N 2.93Å; N379-K382 VanDerWaalsContact O-N 3.09Å; N379-K382 WeakPolarHBondContact OD1-CA 3.44Å; N379-K382 PolarHBondContact OD1-N 3.11Å; P380-K382 VanDerWaalsContact C-N 3.3Å; P380-K382 PolarHBondContact O-N 2.91Å; K382-L407 WeakPolarHBondContact CD-O 3.37Å; K382-N408 WeakPolarHBondContact CD-OD1 3.37Å; K382-N408 PolarHBondContact NZ-OD1 2.9Å; K382-R409 HydrophobicContact CB-CG 4.4Å; K382-R409 PolarHBondContact O-NH1 3.39Å | ||
| 383 | N | 88.6 | Confident | 91.3 | Very high | 94 Ų | 94 | 47.3 Ų | 47.3 | 50% | 0.503 | 23% | 0.234 | S | C | . | . | trans | -81.5 | -28.9 | 177.2 | -66.1 | -15.6 | 0 | 0 | 0 | 111.3 | N379 Q381 | N379-N383 PolarHBondContact OD1-N 2.97Å; Q381-N383 VanDerWaalsContact C-N 3.28Å; Q381-N383 PolarHBondContact O-N 2.92Å; Q381-N383 PolarHBondContact O-OD1 2.81Å; Q381-N383 PolarHBondContact OE1-ND2 2.78Å | ||
| 384 | V | 92.8 | Very high | 89.8 | Confident | 9 Ų | 9 | 50.9 Ų | 50.9 | 6% | 0.055 | 25% | 0.251 | C | S | . | . | S | Bend | trans | -90.8 | 124.1 | 173.6 | -174.2 | 0 | 0 | 0 | 0 | 109.7 | F340 F343 R358 I360 N379 | F340-V384 HydrophobicContact CE1-CB 4.42Å; F340-V384 HydrophobicContact CE1-CG2 4.01Å; F343-V384 HydrophobicContact CE2-CG1 3.98Å; F343-V384 HydrophobicContact CE2-CG2 4.4Å; F343-V384 HydrophobicContact CZ-CG1 4.44Å; R358-V384 HydrophobicContact CB-CB 4.41Å; R358-V384 HydrophobicContact CB-CG1 4.34Å; R358-V384 HydrophobicContact CB-CG2 3.98Å; I360-V384 HydrophobicContact CD1-CG1 3.74Å; I360-V384 HydrophobicContact CG1-CG1 3.69Å; N379-V384 PolarHBondContact ND2-O 3.43Å; N379-V384 PolarHBondContact OD1-N 2.74Å |
| 385 | R | 94.8 | Very high | 88 | Confident | 38 Ų | 38 | 51.8 Ų | 51.8 | 14% | 0.143 | 26% | 0.257 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.1 | 138.8 | 178 | -56.8 | -174.1 | -164 | -171.6 | 11.3 | 111.3 | R358 M359 I360 F387 N408 R409 V431 S435 | R358-R385 PolarHBondContact O-N 3.42Å; M359-R385 CarbonylContact C-O 3.52Å; M359-R385 WeakPolarHBondContact CA-O 3.47Å; M359-R385 HydrophobicContact CB-CB 4.4Å; M359-R385 WeakPolarHBondContact CB-O 3.38Å; I360-R385 PolarHBondContact N-O 3.12Å; R385-F387 HydrophobicContact CB-CE2 3.83Å; R385-F387 HydrophobicContact CB-CZ 4.38Å; R385-N408 VanDerWaalsContact CA-O 3.26Å; R385-N408 WeakPolarHBondContact CA-O 3.12Å; R385-R409 HydrophobicContact CG-CB 4.42Å; R385-V431 PolarHBondContact NH1-O 3.28Å; R385-S435 PolarHBondContact NH2-OG 3.28Å; R385-S435 VanDerWaalsContact NH2-OG 3.16Å |
| 386 | V | 95.9 | Very high | 86.4 | Confident | 0 Ų | 0 | 57.8 Ų | 57.8 | 0% | 0 | 30% | 0.299 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.6 | 119.1 | -178.6 | -176.9 | 0 | 0 | 0 | 0 | 111.1 | I360 I362 F375 L404 A405 N408 G410 Y411 | I360-V386 HydrophobicContact CB-CG2 4.42Å; I360-V386 HydrophobicContact CD1-CG2 4.32Å; I362-V386 HydrophobicContact CD1-CG1 3.77Å; I362-V386 HydrophobicContact CG1-CG1 4.37Å; F375-V386 HydrophobicContact CD1-CG2 4.25Å; F375-V386 HydrophobicContact CE1-CG2 3.51Å; F375-V386 HydrophobicContact CZ-CG2 3.94Å; V386-L404 HydrophobicContact CG1-CG 4.14Å; V386-A405 WeakPolarHBondContact O-CA 3.37Å; V386-A405 WeakPolarHBondContact O-CB 3.44Å; V386-N408 HydrophobicContact CB-CB 3.84Å; V386-N408 HydrophobicContact CG2-CB 3.51Å; V386-N408 PolarHBondContact N-O 3.49Å; V386-G410 WeakPolarHBondContact O-CA 3.2Å; V386-Y411 PolarHBondContact O-N 2.91Å |
| 387 | F | 96.7 | Very high | 84.9 | Confident | 3 Ų | 3 | 52.6 Ų | 52.6 | 1% | 0.013 | 28% | 0.278 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.3 | 134.5 | 176.5 | -63.6 | -85.8 | 0 | 0 | 0 | 109.6 | M359 I360 M361 I362 R385 Y389 Y411 V431 I432 | M359-F387 HydrophobicContact CB-CD2 4.25Å; M359-F387 HydrophobicContact CB-CE2 4.15Å; M359-F387 HydrophobicContact CE-CE2 4.15Å; M359-F387 HydrophobicContact SD-CE2 4.37Å; I360-F387 PolarHBondContact O-N 3.46Å; M361-F387 CarbonylContact C-O 3.57Å; M361-F387 WeakPolarHBondContact CA-O 3.32Å; M361-F387 HydrophobicContact CE-CB 4.24Å; M361-F387 HydrophobicContact CE-CD2 3.65Å; M361-F387 HydrophobicContact CE-CE2 4.24Å; M361-F387 HydrophobicContact CE-CG 4.02Å; M361-F387 HydrophobicContact SD-CB 3.44Å; M361-F387 WeakPolarHBondContact SD-CB 3.3Å; M361-F387 HydrophobicContact SD-CD2 3.93Å; M361-F387 HydrophobicContact SD-CG 3.89Å; I362-F387 PolarHBondContact N-O 2.86Å; R385-F387 HydrophobicContact CB-CE2 3.83Å; R385-F387 HydrophobicContact CB-CZ 4.38Å; F387-Y389 HydrophobicContact CB-CE2 4.46Å; F387-Y411 VanDerWaalsContact CA-O 3.28Å; F387-Y411 WeakPolarHBondContact CA-O 3.47Å; F387-V431 HydrophobicContact CE1-CB 3.97Å; F387-V431 HydrophobicContact CE1-CG1 3.96Å; F387-V431 HydrophobicContact CE1-CG2 4.45Å; F387-V431 HydrophobicContact CZ-CB 4.36Å; F387-V431 HydrophobicContact CZ-CG1 4.17Å; F387-I432 HydrophobicContact CE2-CG2 4.16Å; F387-I432 HydrophobicContact CZ-CG2 3.73Å |
| 388 | T | 95.3 | Very high | 84 | Confident | 1 Ų | 1 | 51 Ų | 51 | 1% | 0.006 | 27% | 0.27 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.7 | 128.8 | -175.7 | -44.4 | 0 | 0 | 0 | 0 | 111 | I362 T364 V401 Y411 A412 V413 | I362-T388 HydrophobicContact CB-CG2 4.12Å; I362-T388 HydrophobicContact CG2-CG2 4.24Å; I362-T388 CarbonylContact O-C 3.44Å; I362-T388 WeakPolarHBondContact O-CA 3.39Å; T364-T388 HydrophobicContact CG2-CG2 4.17Å; T388-V401 HydrophobicContact CG2-CB 4.31Å; T388-V401 HydrophobicContact CG2-CG1 3.37Å; T388-V401 HydrophobicContact CG2-CG2 4.25Å; T388-Y411 PolarHBondContact N-O 2.79Å; T388-A412 VanDerWaalsContact O-CA 3.3Å; T388-A412 WeakPolarHBondContact O-CA 3.47Å; T388-V413 PolarHBondContact O-N 3.28Å |
| 389 | Y | 94.8 | Very high | 83.6 | Confident | 4 Ų | 4 | 54.7 Ų | 54.7 | 2% | 0.016 | 29% | 0.289 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.3 | 101 | 177.4 | -59.9 | -87.5 | 0 | 0 | 0 | 108.4 | T272 I276 M361 I362 I363 T364 F387 V413 I415 V425 | T272-Y389 HydrophobicContact CG2-CD1 4.06Å; T272-Y389 HydrophobicContact CG2-CG 4.01Å; I276-Y389 HydrophobicContact CD1-CD2 3.92Å; I276-Y389 HydrophobicContact CD1-CE2 3.45Å; I276-Y389 VanDerWaalsContact CD1-CE2 3.45Å; I276-Y389 HydrophobicContact CG1-CE2 4.29Å; M361-Y389 HydrophobicContact CB-CE2 4.33Å; M361-Y389 HydrophobicContact SD-CE2 3.62Å; I362-Y389 PolarHBondContact O-N 3.16Å; I363-Y389 HydrophobicContact CG1-CD2 4.09Å; I363-Y389 HydrophobicContact CG1-CG 4.47Å; T364-Y389 PolarHBondContact N-O 3.45Å; T364-Y389 VanDerWaalsContact O-O 3.08Å; F387-Y389 HydrophobicContact CB-CE2 4.46Å; Y389-V413 HydrophobicContact CD1-CG2 3.21Å; Y389-V413 HydrophobicContact CE1-CG2 3.56Å; Y389-V413 HydrophobicContact CG-CG2 4.11Å; Y389-I415 HydrophobicContact CD1-CD1 3.81Å; Y389-I415 HydrophobicContact CG-CD1 4.44Å; Y389-V425 HydrophobicContact CE1-CG2 4.02Å |
| 390 | L | 93.3 | Very high | 83.4 | Confident | 3 Ų | 3 | 58.9 Ų | 58.9 | 2% | 0.016 | 31% | 0.305 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.6 | 120.9 | 179.5 | -172.8 | 49 | 0 | 0 | 0 | 109.7 | T364 D365 S395 E398 V401 V413 N414 I415 | T364-L390 CarbonylContact O-C 3.53Å; T364-L390 WeakPolarHBondContact O-CA 3.23Å; D365-L390 VanDerWaalsContact C-CD1 3.44Å; D365-L390 VanDerWaalsContact O-CD1 3.22Å; D365-L390 WeakPolarHBondContact O-CD1 3.1Å; L390-S395 WeakPolarHBondContact CD2-OG 3.47Å; L390-S395 WeakPolarHBondContact CG-OG 3.39Å; L390-E398 HydrophobicContact CD2-CB 4.18Å; L390-V401 HydrophobicContact CB-CG1 4.24Å; L390-V401 HydrophobicContact CD1-CG2 4.15Å; L390-V401 HydrophobicContact CD2-CB 4.26Å; L390-V401 HydrophobicContact CD2-CG1 4.25Å; L390-V401 HydrophobicContact CD2-CG2 4.28Å; L390-V413 PolarHBondContact N-O 2.78Å; L390-N414 CarbonylContact O-C 3.51Å; L390-N414 WeakPolarHBondContact O-CA 3.41Å; L390-N414 PolarHBondContact O-OD1 3.37Å; L390-I415 PolarHBondContact O-N 2.99Å |
| 391 | L | 91.2 | Very high | 83.2 | Confident | 4 Ų | 4 | 54.6 Ų | 54.6 | 2% | 0.021 | 28% | 0.277 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.7 | 124.8 | -177 | -55.6 | -172.3 | 0 | 0 | 0 | 110.7 | M261 S265 I268 I363 T364 I415 | M261-L391 HydrophobicContact CE-CD1 4.47Å; M261-L391 HydrophobicContact SD-CD1 4.25Å; S265-L391 WeakPolarHBondContact O-CD1 3.16Å; I268-L391 HydrophobicContact CG2-CD2 3.77Å; I363-L391 HydrophobicContact CG2-CD1 3.84Å; I363-L391 HydrophobicContact CG2-CD2 4.26Å; I363-L391 HydrophobicContact CG2-CG 4.17Å; T364-L391 PolarHBondContact O-N 2.89Å; L391-I415 HydrophobicContact CD2-CB 4.01Å; L391-I415 HydrophobicContact CD2-CD1 4.46Å |
| 392 | G | 81.9 | Confident | 83.1 | Confident | 23 Ų | 23 | 52.4 Ų | 52.4 | 24% | 0.237 | 27% | 0.267 | C | S | . | . | S | Bend | trans | 113.3 | 159.8 | 172.4 | 0 | 0 | 0 | 0 | 0 | 115.6 | N414 I415 | G392-N414 PolarHBondContact O-ND2 3.41Å; G392-N414 PolarHBondContact O-OD1 2.91Å; G392-I415 PolarHBondContact N-O 3.1Å |
| 393 | Q | 70.7 | Confident | 83.2 | Confident | 124 Ų | 124 | 53.4 Ų | 53.4 | 58% | 0.579 | 27% | 0.272 | S | S | * | . | S | Bend | trans | -77 | -22.8 | -169.7 | -76.2 | 177 | -21.8 | 0 | 0 | 115.2 | A416 | Q393-A416 HydrophobicContact CG-CB 3.63Š|
| 394 | H | 59.8 | Low | 83.2 | Confident | 177 Ų | 177 | 49.4 Ų | 49.4 | 82% | 0.819 | 25% | 0.251 | S | S | * | . | trans | -146.3 | 52.6 | -164.2 | -64.5 | -55.8 | 0 | 0 | 0 | 114 | ||||
| 395 | S | 56 | Low | 83.3 | Confident | 24 Ų | 24 | 49 Ų | 49 | 17% | 0.168 | 25% | 0.248 | C | C | . | . | trans | -83.3 | 117.4 | 177.4 | 50.9 | 0 | 0 | 0 | 0 | 110.9 | L390 A397 E398 | L390-S395 WeakPolarHBondContact CD2-OG 3.47Å; L390-S395 WeakPolarHBondContact CG-OG 3.39Å; S395-A397 PolarHBondContact O-N 3.44Å; S395-E398 PolarHBondContact O-N 3.08Å | ||
| 396 | S | 58.1 | Low | 83.1 | Confident | 126 Ų | 126 | 51.3 Ų | 51.3 | 88% | 0.881 | 27% | 0.269 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -55.8 | -13.2 | 164 | 49 | 0 | 0 | 0 | 0 | 113.4 | E398 | S396-E398 VanDerWaalsContact C-N 3.3Å; S396-E398 PolarHBondContact O-N 3.11Å |
| 397 | A | 61.9 | Low | 82.9 | Confident | 7 Ų | 7 | 54.6 Ų | 54.6 | 6% | 0.058 | 29% | 0.286 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -78 | -1.4 | 178.2 | 0 | 0 | 0 | 0 | 0 | 115.3 | S395 E399 Y400 V401 | S395-A397 PolarHBondContact O-N 3.44Å; A397-E399 PolarHBondContact O-N 2.98Å; A397-Y400 PolarHBondContact O-N 2.99Å; A397-V401 WeakPolarHBondContact O-CB 3.42Å; A397-V401 WeakPolarHBondContact O-CG2 3.38Å; A397-V401 PolarHBondContact O-N 3.06Å; A397-V401 VanDerWaalsContact O-N 3.11Å |
| 398 | E | 75.1 | Confident | 82.8 | Confident | 94 Ų | 94 | 54.6 Ų | 54.6 | 44% | 0.439 | 29% | 0.286 | S | S | . | . | H | α-helix | trans | -56.3 | -36 | -175.7 | -174.7 | 170 | -170.6 | 0 | 0 | 112.5 | L390 S395 S396 Q402 | L390-E398 HydrophobicContact CD2-CB 4.18Å; S395-E398 PolarHBondContact O-N 3.08Å; S396-E398 VanDerWaalsContact C-N 3.3Å; S396-E398 PolarHBondContact O-N 3.11Å; E398-Q402 HydrophobicContact CG-CG 4.25Å; E398-Q402 VanDerWaalsContact CG-NE2 3.28Å; E398-Q402 VanDerWaalsContact O-CB 3.31Å; E398-Q402 WeakPolarHBondContact O-CB 3.48Å; E398-Q402 WeakPolarHBondContact O-CG 3.42Å; E398-Q402 PolarHBondContact O-N 3.44Å; E398-Q402 PolarHBondContact OE1-NE2 3.09Å |
| 399 | E | 84.7 | Confident | 82.6 | Confident | 145 Ų | 145 | 61.6 Ų | 61.6 | 68% | 0.678 | 31% | 0.313 | S | S | * | . | H | α-helix | trans | -62.9 | -54.2 | 179.2 | -173.8 | 174.8 | -174.4 | 0 | 0 | 112.6 | A397 V401 Q402 E403 | A397-E399 PolarHBondContact O-N 2.98Å; E399-V401 VanDerWaalsContact C-N 3.34Å; E399-V401 PolarHBondContact O-N 3.36Å; E399-Q402 PolarHBondContact O-N 3.21Å; E399-E403 WeakPolarHBondContact O-CB 3.47Å; E399-E403 PolarHBondContact O-N 3.02Å |
| 400 | Y | 88.2 | Confident | 82.5 | Confident | 93 Ų | 93 | 62 Ų | 62 | 37% | 0.365 | 32% | 0.318 | S | S | . | . | H | α-helix | trans | -67.4 | -34.5 | -178.6 | -63.7 | -61.3 | 0 | 0 | 0 | 112.6 | A397 E403 L404 | A397-Y400 PolarHBondContact O-N 2.99Å; Y400-E403 PolarHBondContact O-N 2.99Å; Y400-L404 VanDerWaalsContact O-CB 3.25Å; Y400-L404 WeakPolarHBondContact O-CB 3.3Å; Y400-L404 PolarHBondContact O-N 3.36Å |
| 401 | V | 88.4 | Confident | 82.5 | Confident | 2 Ų | 2 | 66.7 Ų | 66.7 | 1% | 0.012 | 34% | 0.336 | C | S | . | . | H | α-helix | trans | -66.1 | -43.5 | 175.9 | 164.7 | 0 | 0 | 0 | 0 | 111.3 | A367 T388 L390 A397 E399 A405 A412 | A367-V401 HydrophobicContact CB-CG2 3.76Å; T388-V401 HydrophobicContact CG2-CB 4.31Å; T388-V401 HydrophobicContact CG2-CG1 3.37Å; T388-V401 HydrophobicContact CG2-CG2 4.25Å; L390-V401 HydrophobicContact CB-CG1 4.24Å; L390-V401 HydrophobicContact CD1-CG2 4.15Å; L390-V401 HydrophobicContact CD2-CB 4.26Å; L390-V401 HydrophobicContact CD2-CG1 4.25Å; L390-V401 HydrophobicContact CD2-CG2 4.28Å; A397-V401 WeakPolarHBondContact O-CB 3.42Å; A397-V401 WeakPolarHBondContact O-CG2 3.38Å; A397-V401 PolarHBondContact O-N 3.06Å; A397-V401 VanDerWaalsContact O-N 3.11Å; E399-V401 VanDerWaalsContact C-N 3.34Å; E399-V401 PolarHBondContact O-N 3.36Å; V401-A405 PolarHBondContact O-N 2.89Å; V401-A412 HydrophobicContact CG1-CB 3.98Å |
| 402 | Q | 87.9 | Confident | 82.5 | Confident | 90 Ų | 90 | 67.4 Ų | 67.4 | 42% | 0.421 | 34% | 0.343 | S | S | . | . | H | α-helix | trans | -65 | -44.6 | 175 | -74.6 | 178.5 | 7.1 | 0 | 0 | 111.3 | E398 E399 L404 A405 C406 A412 | E398-Q402 HydrophobicContact CG-CG 4.25Å; E398-Q402 VanDerWaalsContact CG-NE2 3.28Å; E398-Q402 VanDerWaalsContact O-CB 3.31Å; E398-Q402 WeakPolarHBondContact O-CB 3.48Å; E398-Q402 WeakPolarHBondContact O-CG 3.42Å; E398-Q402 PolarHBondContact O-N 3.44Å; E398-Q402 PolarHBondContact OE1-NE2 3.09Å; E399-Q402 PolarHBondContact O-N 3.21Å; Q402-L404 PolarHBondContact O-N 3Å; Q402-A405 PolarHBondContact O-N 2.91Å; Q402-C406 VanDerWaalsContact O-CB 3.24Å; Q402-C406 WeakPolarHBondContact O-CB 3.28Å; Q402-C406 PolarHBondContact O-N 3.46Å; Q402-C406 PolarHBondContact O-SG 2.98Å; Q402-A412 HydrophobicContact CG-CB 4.2Å |
| 403 | E | 90.4 | Very high | 83 | Confident | 61 Ų | 61 | 67 Ų | 67 | 29% | 0.285 | 34% | 0.336 | S | S | . | . | H | α-helix | trans | -54.8 | -51.8 | 175.5 | -176.1 | -168.9 | -174 | 0 | 0 | 111 | S370 E399 Y400 A405 C406 L407 | S370-E403 WeakPolarHBondContact CB-OE2 3.49Å; S370-E403 PolarHBondContact OG-OE1 3.29Å; S370-E403 PolarHBondContact OG-OE2 3.16Å; E399-E403 WeakPolarHBondContact O-CB 3.47Å; E399-E403 PolarHBondContact O-N 3.02Å; Y400-E403 PolarHBondContact O-N 2.99Å; E403-A405 VanDerWaalsContact C-N 3.32Å; E403-A405 PolarHBondContact O-N 3.01Å; E403-C406 PolarHBondContact O-N 2.7Å; E403-L407 HydrophobicContact CG-CD1 3.58Å; E403-L407 HydrophobicContact CG-CG 4.09Å; E403-L407 WeakPolarHBondContact O-CB 3.47Å; E403-L407 VanDerWaalsContact O-CG 3.29Å; E403-L407 WeakPolarHBondContact O-CG 3.29Å; E403-L407 PolarHBondContact O-N 3.32Å |
| 404 | L | 90.5 | Very high | 84 | Confident | 10 Ų | 10 | 63.7 Ų | 63.7 | 5% | 0.052 | 32% | 0.322 | C | S | . | . | H | α-helix | trans | -55.1 | -45.2 | -179.2 | 177 | 60 | 0 | 0 | 0 | 112.7 | I362 F375 V386 Y400 Q402 N408 | I362-L404 HydrophobicContact CD1-CD2 3.74Å; F375-L404 HydrophobicContact CD2-CD1 3.84Å; F375-L404 HydrophobicContact CE2-CD1 3.24Å; F375-L404 HydrophobicContact CZ-CD1 3.87Å; V386-L404 HydrophobicContact CG1-CG 4.14Å; Y400-L404 VanDerWaalsContact O-CB 3.25Å; Y400-L404 WeakPolarHBondContact O-CB 3.3Å; Y400-L404 PolarHBondContact O-N 3.36Å; Q402-L404 PolarHBondContact O-N 3Å; L404-N408 PolarHBondContact O-ND2 3.46Å |
| 405 | A | 93.3 | Very high | 85.4 | Confident | 0 Ų | 0 | 55.2 Ų | 55.2 | 0% | 0 | 28% | 0.283 | C | S | . | . | H | α-helix | trans | -73.7 | -45.6 | 179.1 | 0 | 0 | 0 | 0 | 0 | 112.3 | V386 V401 Q402 E403 N408 R409 G410 A412 | V386-A405 WeakPolarHBondContact O-CA 3.37Å; V386-A405 WeakPolarHBondContact O-CB 3.44Å; V401-A405 PolarHBondContact O-N 2.89Å; Q402-A405 PolarHBondContact O-N 2.91Å; E403-A405 VanDerWaalsContact C-N 3.32Å; E403-A405 PolarHBondContact O-N 3.01Å; A405-N408 CarbonylContact O-C 3.6Å; A405-N408 PolarHBondContact O-N 2.67Å; A405-R409 PolarHBondContact O-N 2.7Å; A405-G410 PolarHBondContact O-N 3.12Å; A405-A412 HydrophobicContact CB-CB 3.99Å |
| 406 | C | 91.4 | Very high | 86.8 | Confident | 87 Ų | 87 | 55 Ų | 55 | 59% | 0.588 | 28% | 0.282 | S | S | * | . | H | α-helix | trans | -67.1 | -42.1 | -175 | -68.4 | 0 | 0 | 0 | 0 | 112.4 | Q402 E403 N408 R409 | Q402-C406 VanDerWaalsContact O-CB 3.24Å; Q402-C406 WeakPolarHBondContact O-CB 3.28Å; Q402-C406 PolarHBondContact O-N 3.46Å; Q402-C406 PolarHBondContact O-SG 2.98Å; E403-C406 PolarHBondContact O-N 2.7Å; C406-N408 PolarHBondContact O-N 2.7Å; C406-R409 PolarHBondContact O-N 3.39Å |
| 407 | L | 92 | Very high | 88.3 | Confident | 68 Ų | 68 | 51 Ų | 51 | 36% | 0.356 | 25% | 0.252 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -64.4 | -19.4 | 178.2 | -70 | -178.6 | 0 | 0 | 0 | 113.1 | E372 K382 E403 | E372-L407 HydrophobicContact CB-CD1 4.19Å; E372-L407 HydrophobicContact CG-CD1 3.81Å; K382-L407 WeakPolarHBondContact CD-O 3.37Å; E403-L407 HydrophobicContact CG-CD1 3.58Å; E403-L407 HydrophobicContact CG-CG 4.09Å; E403-L407 WeakPolarHBondContact O-CB 3.47Å; E403-L407 VanDerWaalsContact O-CG 3.29Å; E403-L407 WeakPolarHBondContact O-CG 3.29Å; E403-L407 PolarHBondContact O-N 3.32Å |
| 408 | N | 93.4 | Very high | 89.4 | Confident | 3 Ų | 3 | 54.6 Ų | 54.6 | 2% | 0.016 | 27% | 0.27 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -115.9 | 32.4 | -179.6 | -61 | -69 | 0 | 0 | 0 | 112.3 | F375 K382 R385 V386 L404 A405 C406 G410 | F375-N408 WeakPolarHBondContact CB-OD1 3.41Å; F375-N408 WeakPolarHBondContact CD1-OD1 3.49Å; F375-N408 WeakPolarHBondContact CG-ND2 3.33Å; K382-N408 WeakPolarHBondContact CD-OD1 3.37Å; K382-N408 PolarHBondContact NZ-OD1 2.9Å; R385-N408 VanDerWaalsContact CA-O 3.26Å; R385-N408 WeakPolarHBondContact CA-O 3.12Å; V386-N408 HydrophobicContact CB-CB 3.84Å; V386-N408 HydrophobicContact CG2-CB 3.51Å; V386-N408 PolarHBondContact N-O 3.49Å; L404-N408 PolarHBondContact O-ND2 3.46Å; A405-N408 CarbonylContact O-C 3.6Å; A405-N408 PolarHBondContact O-N 2.67Å; C406-N408 PolarHBondContact O-N 2.7Å; N408-G410 PolarHBondContact O-N 3.31Å |
| 409 | R | 91.8 | Very high | 89.8 | Confident | 149 Ų | 149 | 53.8 Ų | 53.8 | 56% | 0.562 | 28% | 0.28 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 55.2 | 25.4 | 172.7 | -55.4 | 179.2 | 177.5 | 166.3 | -1 | 114.9 | K382 R385 A405 C406 | K382-R409 HydrophobicContact CB-CG 4.4Å; K382-R409 PolarHBondContact O-NH1 3.39Å; R385-R409 HydrophobicContact CG-CB 4.42Å; A405-R409 PolarHBondContact O-N 2.7Å; C406-R409 PolarHBondContact O-N 3.39Å |
| 410 | G | 93.1 | Very high | 89.9 | Confident | 12 Ų | 12 | 49.8 Ų | 49.8 | 12% | 0.124 | 26% | 0.263 | C | S | . | . | trans | -110.5 | -148.9 | 173.9 | 0 | 0 | 0 | 0 | 0 | 112 | V386 A405 N408 | V386-G410 WeakPolarHBondContact O-CA 3.2Å; A405-G410 PolarHBondContact O-N 3.12Å; N408-G410 PolarHBondContact O-N 3.31Å | ||
| 411 | Y | 92.2 | Very high | 90 | Very high | 101 Ų | 101 | 45.7 Ų | 45.7 | 40% | 0.396 | 25% | 0.248 | S | C | . | . | trans | -151.8 | 143.5 | -171.8 | -170.3 | -113.9 | 0 | 0 | 0 | 111.2 | V386 F387 T388 V413 K427 V431 | V386-Y411 PolarHBondContact O-N 2.91Å; F387-Y411 VanDerWaalsContact CA-O 3.28Å; F387-Y411 WeakPolarHBondContact CA-O 3.47Å; T388-Y411 PolarHBondContact N-O 2.79Å; Y411-V413 HydrophobicContact CD1-CG1 3.65Å; Y411-V413 HydrophobicContact CE1-CG1 3.32Å; Y411-K427 HydrophobicContact CE1-CB 4.39Å; Y411-K427 HydrophobicContact CE1-CD 4.46Å; Y411-V431 HydrophobicContact CD2-CG2 4.46Å; Y411-V431 HydrophobicContact CG-CG2 4.05Å | ||
| 412 | A | 92.8 | Very high | 90.1 | Very high | 20 Ų | 20 | 47.8 Ų | 47.8 | 17% | 0.165 | 26% | 0.257 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.4 | 137.4 | 177.7 | 0 | 0 | 0 | 0 | 0 | 110.5 | T388 V401 Q402 A405 | T388-A412 VanDerWaalsContact O-CA 3.3Å; T388-A412 WeakPolarHBondContact O-CA 3.47Å; V401-A412 HydrophobicContact CG1-CB 3.98Å; Q402-A412 HydrophobicContact CG-CB 4.2Å; A405-A412 HydrophobicContact CB-CB 3.99Å |
| 413 | V | 91.5 | Very high | 90.2 | Very high | 14 Ų | 14 | 46 Ų | 46 | 9% | 0.085 | 25% | 0.248 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.2 | 146 | 175.8 | -66.7 | 0 | 0 | 0 | 0 | 110.6 | T388 Y389 L390 Y411 N424 K427 | T388-V413 PolarHBondContact O-N 3.28Å; Y389-V413 HydrophobicContact CD1-CG2 3.21Å; Y389-V413 HydrophobicContact CE1-CG2 3.56Å; Y389-V413 HydrophobicContact CG-CG2 4.11Å; L390-V413 PolarHBondContact N-O 2.78Å; Y411-V413 HydrophobicContact CD1-CG1 3.65Å; Y411-V413 HydrophobicContact CE1-CG1 3.32Å; V413-N424 HydrophobicContact CB-CB 4.32Å; V413-N424 HydrophobicContact CG2-CB 4.15Å; V413-K427 HydrophobicContact CG1-CD 4.18Å |
| 414 | N | 90.9 | Very high | 90.3 | Very high | 54 Ų | 54 | 43.9 Ų | 43.9 | 29% | 0.289 | 24% | 0.239 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -99 | 124.6 | 171.1 | -174.8 | -16.1 | 0 | 0 | 0 | 110.1 | L390 G392 N424 | L390-N414 CarbonylContact O-C 3.51Å; L390-N414 WeakPolarHBondContact O-CA 3.41Å; L390-N414 PolarHBondContact O-OD1 3.37Å; G392-N414 PolarHBondContact O-ND2 3.41Å; G392-N414 PolarHBondContact O-OD1 2.91Å; N414-N424 PolarHBondContact O-ND2 2.74Å |
| 415 | I | 90.5 | Very high | 90.4 | Very high | 0 Ų | 0 | 43.4 Ų | 43.4 | 0% | 0 | 24% | 0.237 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.2 | 104.5 | 173.7 | -56.6 | 178.7 | 0 | 0 | 0 | 108.8 | I268 T272 Y389 L390 L391 G392 T417 D420 V421 N424 | I268-I415 HydrophobicContact CG2-CB 4.41Å; I268-I415 HydrophobicContact CG2-CG2 3.54Å; T272-I415 HydrophobicContact CG2-CD1 3.66Å; T272-I415 WeakPolarHBondContact OG1-CD1 3.47Å; Y389-I415 HydrophobicContact CD1-CD1 3.81Å; Y389-I415 HydrophobicContact CG-CD1 4.44Å; L390-I415 PolarHBondContact O-N 2.99Å; L391-I415 HydrophobicContact CD2-CB 4.01Å; L391-I415 HydrophobicContact CD2-CD1 4.46Å; G392-I415 PolarHBondContact N-O 3.1Å; I415-T417 WeakPolarHBondContact CG2-O 3.33Å; I415-D420 HydrophobicContact CG2-CB 4.42Å; I415-V421 HydrophobicContact CG2-CG2 3.79Å; I415-N424 HydrophobicContact CD1-CB 4.27Å; I415-N424 HydrophobicContact CG1-CB 3.9Å |
| 416 | A | 86.1 | Confident | 90.4 | Very high | 19 Ų | 19 | 43.8 Ų | 43.8 | 16% | 0.157 | 24% | 0.238 | C | C | . | . | trans | -85.5 | -36.3 | 178.3 | 0 | 0 | 0 | 0 | 0 | 112.9 | R264 Q393 | R264-A416 PolarHBondContact NH2-O 3.18Å; Q393-A416 HydrophobicContact CG-CB 3.63Å | ||
| 417 | T | 87.8 | Confident | 90.4 | Very high | 41 Ų | 41 | 42.7 Ų | 42.7 | 25% | 0.252 | 22% | 0.224 | S | C | . | . | S | Bend | trans | -134 | 161.9 | -173.1 | 78.1 | 0 | 0 | 0 | 0 | 112.1 | I415 A419 D420 | I415-T417 WeakPolarHBondContact CG2-O 3.33Å; T417-A419 PolarHBondContact O-N 2.99Å; T417-A419 PolarHBondContact OG1-N 2.7Å; T417-D420 WeakPolarHBondContact CB-OD2 3.48Å; T417-D420 PolarHBondContact N-OD2 3.18Å; T417-D420 VanDerWaalsContact N-OD2 3.11Å; T417-D420 PolarHBondContact O-N 2.78Å; T417-D420 VanDerWaalsContact O-N 3.17Å; T417-D420 PolarHBondContact OG1-OD2 2.93Å |
| 418 | L | 86.6 | Confident | 90.5 | Very high | 83 Ų | 83 | 39.6 Ų | 39.6 | 44% | 0.435 | 21% | 0.207 | S | C | . | . | G | 310 helix | trans | -61.3 | -30.4 | 176.5 | -172.6 | 64.3 | 0 | 0 | 0 | 112.4 | A271 D420 V421 | A271-L418 HydrophobicContact CB-CD1 3.34Å; L418-D420 VanDerWaalsContact C-N 3.28Å; L418-D420 PolarHBondContact O-N 3.1Å; L418-V421 HydrophobicContact CD1-CG2 4.3Å; L418-V421 WeakPolarHBondContact O-CB 3.45Å; L418-V421 WeakPolarHBondContact O-CG2 3.48Å; L418-V421 PolarHBondContact O-N 3.47Å |
| 419 | A | 83.5 | Confident | 90.4 | Very high | 77 Ų | 77 | 39.6 Ų | 39.6 | 64% | 0.636 | 21% | 0.207 | S | C | * | . | G | 310 helix | trans | -70.4 | -24.9 | 178.7 | 0 | 0 | 0 | 0 | 0 | 113 | T417 V421 | T417-A419 PolarHBondContact O-N 2.99Å; T417-A419 PolarHBondContact OG1-N 2.7Å; A419-V421 VanDerWaalsContact C-N 3.34Å |
| 420 | D | 85.6 | Confident | 90.3 | Very high | 61 Ų | 61 | 35.1 Ų | 35.1 | 33% | 0.326 | 19% | 0.194 | S | C | . | . | G | 310 helix | trans | -82.1 | -15.7 | -178.2 | -55.3 | -42.9 | 0 | 0 | 0 | 112.7 | I415 T417 L418 K422 E423 N424 | I415-D420 HydrophobicContact CG2-CB 4.42Å; T417-D420 WeakPolarHBondContact CB-OD2 3.48Å; T417-D420 PolarHBondContact N-OD2 3.18Å; T417-D420 VanDerWaalsContact N-OD2 3.11Å; T417-D420 PolarHBondContact O-N 2.78Å; T417-D420 VanDerWaalsContact O-N 3.17Å; T417-D420 PolarHBondContact OG1-OD2 2.93Å; L418-D420 VanDerWaalsContact C-N 3.28Å; L418-D420 PolarHBondContact O-N 3.1Å; D420-K422 PolarHBondContact O-N 3.24Å; D420-E423 PolarHBondContact O-N 2.77Å; D420-N424 WeakPolarHBondContact O-CB 3.18Å; D420-N424 PolarHBondContact O-N 2.91Å; D420-N424 PolarHBondContact O-ND2 3.4Å |
| 421 | V | 91.1 | Very high | 90.2 | Very high | 7 Ų | 7 | 34.9 Ų | 34.9 | 4% | 0.042 | 19% | 0.191 | C | C | . | . | H | α-helix | trans | -54.2 | -57.8 | -171.6 | 172 | 0 | 0 | 0 | 0 | 111.3 | I268 E275 I415 L418 A419 E423 N424 V425 | I268-V421 HydrophobicContact CG2-CG2 4.06Å; E275-V421 HydrophobicContact CB-CG1 3.97Å; E275-V421 HydrophobicContact CG-CG1 4.43Å; I415-V421 HydrophobicContact CG2-CG2 3.79Å; L418-V421 HydrophobicContact CD1-CG2 4.3Å; L418-V421 WeakPolarHBondContact O-CB 3.45Å; L418-V421 WeakPolarHBondContact O-CG2 3.48Å; L418-V421 PolarHBondContact O-N 3.47Å; A419-V421 VanDerWaalsContact C-N 3.34Å; V421-E423 PolarHBondContact O-N 3.08Å; V421-N424 PolarHBondContact O-N 3.06Å; V421-V425 HydrophobicContact CG1-CG2 4.21Å; V421-V425 WeakPolarHBondContact O-CB 3.22Å; V421-V425 VanDerWaalsContact O-CG2 3.32Å; V421-V425 WeakPolarHBondContact O-CG2 3.26Å; V421-V425 PolarHBondContact O-N 3.08Å |
| 422 | K | 90.5 | Very high | 90.2 | Very high | 47 Ų | 47 | 30.1 Ų | 30.1 | 20% | 0.204 | 17% | 0.172 | C | C | . | . | H | α-helix | trans | -60.2 | -46.3 | -174.3 | -177.7 | 160.3 | -170.6 | 172 | 0 | 113.1 | E275 D420 N424 V425 L426 | E275-K422 HydrophobicContact CG-CB 4.34Å; E275-K422 HydrophobicContact CG-CG 4.45Å; E275-K422 WeakPolarHBondContact OE1-CD 3.18Å; E275-K422 WeakPolarHBondContact OE1-CE 3.32Å; E275-K422 WeakPolarHBondContact OE1-CG 3.21Å; D420-K422 PolarHBondContact O-N 3.24Å; K422-N424 VanDerWaalsContact C-N 3.32Å; K422-N424 PolarHBondContact O-N 2.92Å; K422-V425 PolarHBondContact O-N 3.47Å; K422-L426 HydrophobicContact CG-CD1 4.05Å; K422-L426 WeakPolarHBondContact O-CG 3.49Å; K422-L426 PolarHBondContact O-N 3.36Å; K422-L426 VanDerWaalsContact O-N 3.16Å |
| 423 | E | 89.5 | Confident | 90.1 | Very high | 52 Ų | 52 | 29.2 Ų | 29.2 | 24% | 0.243 | 16% | 0.164 | C | C | . | . | H | α-helix | trans | -67.7 | -33.9 | -180 | -175 | 60.3 | -166.3 | 0 | 0 | 112.1 | R236 D420 V421 K427 | R236-E423 IonicContact CZ-OE2 3.28Å; R236-E423 VanDerWaalsContact CZ-OE2 3.31Å; R236-E423 IonicContact NH1-OE1 3.75Å; R236-E423 IonicContact NH1-OE2 2.64Å; R236-E423 PolarHBondContact NH1-OE2 3.38Å; R236-E423 IonicContact NH2-OE2 3.44Å; R236-E423 PolarHBondContact NH2-OE2 2.93Å; D420-E423 PolarHBondContact O-N 2.77Å; V421-E423 PolarHBondContact O-N 3.08Å; E423-K427 WeakPolarHBondContact O-CG 3.47Å |
| 424 | N | 92 | Very high | 90.1 | Very high | 17 Ų | 17 | 34 Ų | 34 | 9% | 0.091 | 18% | 0.181 | C | C | . | . | H | α-helix | trans | -77.4 | -36.2 | 177.9 | -79 | -31.2 | 0 | 0 | 0 | 113.3 | V413 N414 I415 D420 V421 K422 K427 | V413-N424 HydrophobicContact CB-CB 4.32Å; V413-N424 HydrophobicContact CG2-CB 4.15Å; N414-N424 PolarHBondContact O-ND2 2.74Å; I415-N424 HydrophobicContact CD1-CB 4.27Å; I415-N424 HydrophobicContact CG1-CB 3.9Å; D420-N424 WeakPolarHBondContact O-CB 3.18Å; D420-N424 PolarHBondContact O-N 2.91Å; D420-N424 PolarHBondContact O-ND2 3.4Å; V421-N424 PolarHBondContact O-N 3.06Å; K422-N424 VanDerWaalsContact C-N 3.32Å; K422-N424 PolarHBondContact O-N 2.92Å; N424-K427 PolarHBondContact OD1-NZ 3.42Å |
| 425 | V | 94.1 | Very high | 89.9 | Confident | 0 Ų | 0 | 32.8 Ų | 32.8 | 0% | 0 | 18% | 0.177 | C | C | . | . | H | α-helix | trans | -62.4 | -48.6 | 174.8 | 168.6 | 0 | 0 | 0 | 0 | 110.4 | T272 E275 I276 T279 Y389 V421 K422 K427 Y428 | T272-V425 HydrophobicContact CG2-CG2 3.94Å; E275-V425 HydrophobicContact CB-CG2 4.27Å; E275-V425 HydrophobicContact CG-CB 4.08Å; E275-V425 HydrophobicContact CG-CG1 4.08Å; E275-V425 HydrophobicContact CG-CG2 4.27Å; I276-V425 HydrophobicContact CB-CG1 4.42Å; I276-V425 HydrophobicContact CG1-CB 4.49Å; I276-V425 HydrophobicContact CG1-CG1 3.74Å; I276-V425 HydrophobicContact CG1-CG2 3.91Å; T279-V425 HydrophobicContact CG2-CG1 3.92Å; Y389-V425 HydrophobicContact CE1-CG2 4.02Å; V421-V425 HydrophobicContact CG1-CG2 4.21Å; V421-V425 WeakPolarHBondContact O-CB 3.22Å; V421-V425 VanDerWaalsContact O-CG2 3.32Å; V421-V425 WeakPolarHBondContact O-CG2 3.26Å; V421-V425 PolarHBondContact O-N 3.08Å; K422-V425 PolarHBondContact O-N 3.47Å; V425-K427 PolarHBondContact O-N 3.32Å; V425-Y428 WeakPolarHBondContact O-CD1 3.46Å; V425-Y428 PolarHBondContact O-N 3.23Å |
| 426 | L | 92.3 | Very high | 89.8 | Confident | 7 Ų | 7 | 32.9 Ų | 32.9 | 4% | 0.037 | 18% | 0.177 | C | C | . | . | H | α-helix | trans | -63.4 | -18.2 | -175.1 | -67.5 | 169.3 | 0 | 0 | 0 | 114.4 | R236 T279 K422 Y428 L429 | R236-L426 HydrophobicContact CB-CD1 3.95Å; R236-L426 HydrophobicContact CB-CD2 4.15Å; T279-L426 HydrophobicContact CG2-CD2 3.84Å; K422-L426 HydrophobicContact CG-CD1 4.05Å; K422-L426 WeakPolarHBondContact O-CG 3.49Å; K422-L426 PolarHBondContact O-N 3.36Å; K422-L426 VanDerWaalsContact O-N 3.16Å; L426-Y428 VanDerWaalsContact C-N 3.26Å; L426-Y428 PolarHBondContact O-N 3.35Å; L426-L429 HydrophobicContact CD2-CD1 3.93Å; L426-L429 VanDerWaalsContact O-CB 3.3Å; L426-L429 WeakPolarHBondContact O-CB 3.25Å; L426-L429 PolarHBondContact O-N 2.96Å |
| 427 | K | 91.4 | Very high | 90 | Very high | 65 Ų | 65 | 32.7 Ų | 32.7 | 28% | 0.283 | 18% | 0.176 | S | C | . | . | H | α-helix | trans | -63.5 | -25 | 179.4 | -71.7 | 171.1 | -172.8 | 172.8 | 0 | 114.2 | Y411 V413 E423 N424 V425 L429 D430 | Y411-K427 HydrophobicContact CE1-CB 4.39Å; Y411-K427 HydrophobicContact CE1-CD 4.46Å; V413-K427 HydrophobicContact CG1-CD 4.18Å; E423-K427 WeakPolarHBondContact O-CG 3.47Å; N424-K427 PolarHBondContact OD1-NZ 3.42Å; V425-K427 PolarHBondContact O-N 3.32Å; K427-L429 PolarHBondContact O-N 2.86Å; K427-D430 PolarHBondContact O-N 2.87Å |
| 428 | Y | 93.5 | Very high | 90 | Very high | 3 Ų | 3 | 35.3 Ų | 35.3 | 1% | 0.012 | 19% | 0.188 | C | C | . | . | H | α-helix | trans | -64.7 | -28.1 | 178.1 | 89.7 | -99.9 | 0 | 0 | 0 | 111.4 | K249 M251 T279 M359 M361 V425 L426 D430 V431 I432 | K249-Y428 HydrophobicContact CD-CE2 3.99Å; K249-Y428 WeakPolarHBondContact CE-OH 3.19Å; M251-Y428 HydrophobicContact CE-CE2 4.34Å; T279-Y428 HydrophobicContact CG2-CE1 4.28Å; T279-Y428 WeakPolarHBondContact OG1-CE1 3.17Å; T279-Y428 PolarHBondContact OG1-OH 3.24Å; M359-Y428 HydrophobicContact SD-CE2 4.19Å; M361-Y428 HydrophobicContact CE-CD1 3.84Å; M361-Y428 HydrophobicContact CE-CD2 3.59Å; M361-Y428 HydrophobicContact CE-CE1 4.13Å; M361-Y428 HydrophobicContact CE-CE2 3.82Å; M361-Y428 HydrophobicContact CE-CG 3.63Å; V425-Y428 WeakPolarHBondContact O-CD1 3.46Å; V425-Y428 PolarHBondContact O-N 3.23Å; L426-Y428 VanDerWaalsContact C-N 3.26Å; L426-Y428 PolarHBondContact O-N 3.35Å; Y428-D430 VanDerWaalsContact C-N 3.3Å; Y428-D430 PolarHBondContact O-N 3.37Å; Y428-V431 PolarHBondContact O-N 2.97Å; Y428-I432 HydrophobicContact CD2-CD1 4.14Å; Y428-I432 HydrophobicContact CD2-CG1 4.37Å; Y428-I432 HydrophobicContact CD2-CG2 4.03Å; Y428-I432 HydrophobicContact CE2-CD1 3.77Å; Y428-I432 HydrophobicContact CE2-CG1 4.48Å; Y428-I432 PolarHBondContact O-N 2.84Å |
| 429 | L | 92 | Very high | 90 | Very high | 3 Ų | 3 | 37.7 Ų | 37.7 | 2% | 0.016 | 20% | 0.196 | C | C | . | . | H | α-helix | trans | -57.4 | -42.6 | 177.3 | -64.6 | 175.7 | 0 | 0 | 0 | 111.5 | Y241 L242 L426 K427 V431 I432 A433 | Y241-L429 HydrophobicContact CE1-CD1 4.39Å; L242-L429 HydrophobicContact CD2-CD1 3.72Å; L242-L429 HydrophobicContact CD2-CD2 4.17Å; L426-L429 HydrophobicContact CD2-CD1 3.93Å; L426-L429 VanDerWaalsContact O-CB 3.3Å; L426-L429 WeakPolarHBondContact O-CB 3.25Å; L426-L429 PolarHBondContact O-N 2.96Å; K427-L429 PolarHBondContact O-N 2.86Å; L429-V431 VanDerWaalsContact C-N 3.25Å; L429-V431 PolarHBondContact O-N 3.31Å; L429-I432 HydrophobicContact CD2-CD1 3.96Å; L429-I432 WeakPolarHBondContact O-CG1 3.3Å; L429-I432 PolarHBondContact O-N 3.21Å; L429-A433 VanDerWaalsContact O-CB 3.31Å; L429-A433 WeakPolarHBondContact O-CB 3.12Å; L429-A433 PolarHBondContact O-N 3.04Å |
| 430 | D | 90.3 | Very high | 90.1 | Very high | 54 Ų | 54 | 37.9 Ų | 37.9 | 29% | 0.289 | 19% | 0.187 | S | C | . | . | H | α-helix | trans | -63.8 | -32.4 | 178.2 | -67.4 | -24.5 | 0 | 0 | 0 | 112.1 | S209 K427 Y428 R434 | S209-D430 WeakPolarHBondContact CB-OD1 3.29Å; K427-D430 PolarHBondContact O-N 2.87Å; Y428-D430 VanDerWaalsContact C-N 3.3Å; Y428-D430 PolarHBondContact O-N 3.37Å; D430-R434 WeakPolarHBondContact O-CG 3.47Å |
| 431 | V | 91 | Very high | 90.2 | Very high | 8 Ų | 8 | 38.1 Ų | 38.1 | 5% | 0.048 | 19% | 0.188 | C | C | . | . | H | α-helix | trans | -77.5 | -39 | 179.4 | -179.8 | 0 | 0 | 0 | 0 | 110.9 | R385 F387 Y411 Y428 L429 R434 | R385-V431 PolarHBondContact NH1-O 3.28Å; F387-V431 HydrophobicContact CE1-CB 3.97Å; F387-V431 HydrophobicContact CE1-CG1 3.96Å; F387-V431 HydrophobicContact CE1-CG2 4.45Å; F387-V431 HydrophobicContact CZ-CB 4.36Å; F387-V431 HydrophobicContact CZ-CG1 4.17Å; Y411-V431 HydrophobicContact CD2-CG2 4.46Å; Y411-V431 HydrophobicContact CG-CG2 4.05Å; Y428-V431 PolarHBondContact O-N 2.97Å; L429-V431 VanDerWaalsContact C-N 3.25Å; L429-V431 PolarHBondContact O-N 3.31Å; V431-R434 WeakPolarHBondContact O-CB 3.44Å; V431-R434 WeakPolarHBondContact O-CG 3.36Å; V431-R434 PolarHBondContact O-N 2.7Å |
| 432 | I | 91.2 | Very high | 90.2 | Very high | 1 Ų | 1 | 38.4 Ų | 38.4 | 1% | 0.005 | 19% | 0.191 | C | C | . | . | H | α-helix | trans | -71.8 | -35.7 | 179.5 | 63.3 | 166.5 | 0 | 0 | 0 | 112.2 | A246 K249 M359 F387 Y428 L429 R434 S435 | A246-I432 HydrophobicContact CB-CB 4.32Å; A246-I432 HydrophobicContact CB-CD1 3.39Å; A246-I432 HydrophobicContact CB-CG1 3.66Å; K249-I432 HydrophobicContact CD-CD1 3.95Å; M359-I432 HydrophobicContact CE-CG2 3.57Å; F387-I432 HydrophobicContact CE2-CG2 4.16Å; F387-I432 HydrophobicContact CZ-CG2 3.73Å; Y428-I432 HydrophobicContact CD2-CD1 4.14Å; Y428-I432 HydrophobicContact CD2-CG1 4.37Å; Y428-I432 HydrophobicContact CD2-CG2 4.03Å; Y428-I432 HydrophobicContact CE2-CD1 3.77Å; Y428-I432 HydrophobicContact CE2-CG1 4.48Å; Y428-I432 PolarHBondContact O-N 2.84Å; L429-I432 HydrophobicContact CD2-CD1 3.96Å; L429-I432 WeakPolarHBondContact O-CG1 3.3Å; L429-I432 PolarHBondContact O-N 3.21Å; I432-R434 PolarHBondContact O-N 3.39Å; I432-S435 PolarHBondContact O-OG 2.99Å; I432-S435 VanDerWaalsContact O-OG 3.08Å |
| 433 | A | 91.8 | Very high | 90.2 | Very high | 0 Ų | 0 | 38.9 Ų | 38.9 | 0% | 0 | 19% | 0.192 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -65.4 | -17.7 | 177.3 | 0 | 0 | 0 | 0 | 0 | 113.5 | S245 L429 S435 N436 A437 L530 | S245-A433 VanDerWaalsContact O-CB 3.24Å; S245-A433 WeakPolarHBondContact O-CB 3.33Å; L429-A433 VanDerWaalsContact O-CB 3.31Å; L429-A433 WeakPolarHBondContact O-CB 3.12Å; L429-A433 PolarHBondContact O-N 3.04Å; A433-S435 VanDerWaalsContact C-N 3.29Å; A433-S435 PolarHBondContact O-N 2.83Å; A433-N436 WeakPolarHBondContact O-CB 3.38Å; A433-N436 PolarHBondContact O-N 3.2Å; A433-N436 VanDerWaalsContact O-N 3.1Å; A433-A437 WeakPolarHBondContact O-CB 3.31Å; A433-A437 PolarHBondContact O-N 2.85Å; A433-L530 HydrophobicContact CB-CB 3.95Å; A433-L530 HydrophobicContact CB-CD2 4.1Å; A433-L530 HydrophobicContact CB-CG 4.44Å |
| 434 | R | 89.7 | Confident | 90.5 | Very high | 116 Ų | 116 | 39.2 Ų | 39.2 | 44% | 0.438 | 19% | 0.193 | S | C | . | . | H | α-helix | trans | -56.1 | -39.7 | -178.1 | -69.2 | 179.1 | -179.2 | 175.3 | 1.8 | 113.5 | D430 V431 I432 N436 A437 L438 G528 | D430-R434 WeakPolarHBondContact O-CG 3.47Å; V431-R434 WeakPolarHBondContact O-CB 3.44Å; V431-R434 WeakPolarHBondContact O-CG 3.36Å; V431-R434 PolarHBondContact O-N 2.7Å; I432-R434 PolarHBondContact O-N 3.39Å; R434-N436 VanDerWaalsContact C-N 3.34Å; R434-A437 PolarHBondContact O-N 2.98Å; R434-L438 WeakPolarHBondContact O-CB 3.39Å; R434-L438 WeakPolarHBondContact O-CG 3.48Å; R434-L438 PolarHBondContact O-N 3.04Å; R434-G528 VanDerWaalsContact CA-O 3.31Å; R434-G528 WeakPolarHBondContact CA-O 3.49Å; R434-G528 VanDerWaalsContact CG-O 3.29Å; R434-G528 WeakPolarHBondContact CG-O 3.39Å |
| 435 | S | 86.7 | Confident | 90.6 | Very high | 28 Ų | 28 | 39.1 Ų | 39.1 | 20% | 0.196 | 19% | 0.192 | C | C | . | . | H | α-helix | trans | -61.6 | -46.1 | 178.4 | 35.5 | 0 | 0 | 0 | 0 | 111.2 | R385 I432 A433 L438 Q439 | R385-S435 PolarHBondContact NH2-OG 3.28Å; R385-S435 VanDerWaalsContact NH2-OG 3.16Å; I432-S435 PolarHBondContact O-OG 2.99Å; I432-S435 VanDerWaalsContact O-OG 3.08Å; A433-S435 VanDerWaalsContact C-N 3.29Å; A433-S435 PolarHBondContact O-N 2.83Å; S435-L438 PolarHBondContact O-N 3.32Å; S435-Q439 WeakPolarHBondContact O-CG 3.49Å; S435-Q439 PolarHBondContact O-N 3.13Å; S435-Q439 VanDerWaalsContact O-N 3.16Å |
| 436 | N | 89.6 | Confident | 90.7 | Very high | 2 Ų | 2 | 39.5 Ų | 39.5 | 1% | 0.011 | 19% | 0.194 | C | C | . | . | H | α-helix | trans | -65.3 | -45.5 | -179.9 | -60.3 | 53.9 | 0 | 0 | 0 | 110.5 | Y247 A433 R434 L438 Q439 D440 D441 F516 | Y247-N436 WeakPolarHBondContact CD2-ND2 3.23Å; Y247-N436 WeakPolarHBondContact CE2-ND2 3.36Å; Y247-N436 WeakPolarHBondContact CE2-OD1 3.46Å; Y247-N436 VanDerWaalsContact CZ-ND2 3.35Å; A433-N436 WeakPolarHBondContact O-CB 3.38Å; A433-N436 PolarHBondContact O-N 3.2Å; A433-N436 VanDerWaalsContact O-N 3.1Å; R434-N436 VanDerWaalsContact C-N 3.34Å; N436-L438 PolarHBondContact O-N 2.93Å; N436-Q439 PolarHBondContact O-N 2.95Å; N436-D440 PolarHBondContact O-N 2.87Å; N436-D441 PolarHBondContact O-N 3.46Å; N436-F516 HydrophobicContact CB-CZ 3.88Å |
| 437 | A | 90.2 | Very high | 90.8 | Very high | 15 Ų | 15 | 39.1 Ų | 39.1 | 12% | 0.124 | 19% | 0.192 | C | C | . | . | H | α-helix | trans | -62 | -40.7 | 178 | 0 | 0 | 0 | 0 | 0 | 112.8 | A433 R434 Q439 D440 F516 G528 | A433-A437 WeakPolarHBondContact O-CB 3.31Å; A433-A437 PolarHBondContact O-N 2.85Å; R434-A437 PolarHBondContact O-N 2.98Å; A437-Q439 VanDerWaalsContact C-N 3.32Å; A437-Q439 PolarHBondContact O-N 3.39Å; A437-D440 PolarHBondContact O-N 2.83Å; A437-F516 HydrophobicContact CB-CB 4.24Å; A437-F516 HydrophobicContact CB-CD1 3.45Å; A437-F516 VanDerWaalsContact CB-CD1 3.45Å; A437-F516 HydrophobicContact CB-CD2 4.31Å; A437-F516 HydrophobicContact CB-CE1 3.76Å; A437-F516 HydrophobicContact CB-CG 3.76Å; A437-F516 HydrophobicContact CB-CZ 4.31Å; A437-G528 VanDerWaalsContact CB-C 3.41Å; A437-G528 VanDerWaalsContact CB-CA 3.48Å; A437-G528 WeakPolarHBondContact CB-O 3.39Å |
| 438 | L | 87.9 | Confident | 90.9 | Very high | 96 Ų | 96 | 36.6 Ų | 36.6 | 50% | 0.503 | 19% | 0.185 | S | C | . | . | H | α-helix | trans | -69.4 | -29.7 | 178.3 | -72.9 | 174.3 | 0 | 0 | 0 | 113.4 | R434 S435 N436 D440 K526 | R434-L438 WeakPolarHBondContact O-CB 3.39Å; R434-L438 WeakPolarHBondContact O-CG 3.48Å; R434-L438 PolarHBondContact O-N 3.04Å; S435-L438 PolarHBondContact O-N 3.32Å; N436-L438 PolarHBondContact O-N 2.93Å; L438-D440 VanDerWaalsContact C-N 3.32Å; L438-K526 HydrophobicContact CD2-CB 3.92Å; L438-K526 WeakPolarHBondContact CD2-O 3.19Å |
| 439 | Q | 86.6 | Confident | 90.8 | Very high | 133 Ų | 133 | 36.6 Ų | 36.6 | 62% | 0.621 | 19% | 0.185 | S | C | * | . | H | α-helix | trans | -86.7 | -6.1 | 176.2 | -67.3 | 176.5 | -0.4 | 0 | 0 | 112.6 | S435 N436 A437 D441 | S435-Q439 WeakPolarHBondContact O-CG 3.49Å; S435-Q439 PolarHBondContact O-N 3.13Å; S435-Q439 VanDerWaalsContact O-N 3.16Å; N436-Q439 PolarHBondContact O-N 2.95Å; A437-Q439 VanDerWaalsContact C-N 3.32Å; A437-Q439 PolarHBondContact O-N 3.39Å; Q439-D441 HydrophobicContact CB-CB 4.13Å; Q439-D441 PolarHBondContact O-N 3.39Å |
| 440 | D | 85.2 | Confident | 90.6 | Very high | 81 Ų | 81 | 36.7 Ų | 36.7 | 43% | 0.433 | 19% | 0.186 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 51.2 | 33.5 | -167.1 | -159.9 | 15.5 | 0 | 0 | 0 | 112.1 | N436 A437 L438 A442 K518 | N436-D440 PolarHBondContact O-N 2.87Å; A437-D440 PolarHBondContact O-N 2.83Å; L438-D440 VanDerWaalsContact C-N 3.32Å; D440-A442 PolarHBondContact O-N 3.01Å; D440-K518 WeakPolarHBondContact OD1-CE 2.86Å; D440-K518 IonicContact OD1-NZ 3.36Å; D440-K518 PolarHBondContact OD1-NZ 3.27Å; D440-K518 IonicContact OD2-NZ 2.74Å; D440-K518 PolarHBondContact OD2-NZ 3.22Å; D440-K518 VanDerWaalsContact OD2-NZ 3.1Å |
| 441 | D | 88.3 | Confident | 90.2 | Very high | 65 Ų | 65 | 35.8 Ų | 35.8 | 35% | 0.348 | 18% | 0.182 | S | C | . | . | trans | -95.6 | 72.8 | -177.7 | -168.4 | 22.4 | 0 | 0 | 0 | 111.2 | Y247 N436 Q439 | Y247-D441 PolarHBondContact OH-OD2 2.85Å; N436-D441 PolarHBondContact O-N 3.46Å; Q439-D441 HydrophobicContact CB-CB 4.13Å; Q439-D441 PolarHBondContact O-N 3.39Å | ||
| 442 | A | 89.7 | Confident | 89.2 | Confident | 13 Ų | 13 | 39.3 Ų | 39.3 | 11% | 0.107 | 19% | 0.194 | C | C | . | . | trans | -89.9 | 117.7 | 167 | 0 | 0 | 0 | 0 | 0 | 109.5 | D440 K513 F516 | D440-A442 PolarHBondContact O-N 3.01Å; A442-K513 HydrophobicContact CB-CG 4.02Å; A442-K513 WeakPolarHBondContact O-CE 3.26Å; A442-F516 HydrophobicContact CB-CD2 4.36Å; A442-F516 HydrophobicContact CB-CE2 3.77Å | ||
| 443 | Y | 92.1 | Very high | 88.2 | Confident | 57 Ų | 57 | 40 Ų | 40 | 22% | 0.224 | 20% | 0.197 | C | C | . | . | trans | -106.8 | 160.4 | 174.9 | 56.1 | -90.6 | 0 | 0 | 0 | 111.5 | Q243 A246 Y247 | Q243-Y443 PolarHBondContact O-OH 2.92Å; A246-Y443 PolarHBondContact O-OH 3.45Å; Y247-Y443 WeakPolarHBondContact CA-OH 3.39Å; Y247-Y443 HydrophobicContact CD1-CD1 4.36Å; Y247-Y443 AromaticContact CD1-CE1 3.47Å; Y247-Y443 HydrophobicContact CD1-CE1 3.47Å; Y247-Y443 VanDerWaalsContact CD1-CE1 3.47Å; Y247-Y443 AromaticContact CD1-CZ 3.92Å; Y247-Y443 AromaticContact CE1-CD1 3.88Å; Y247-Y443 HydrophobicContact CE1-CD1 3.88Å; Y247-Y443 AromaticContact CE1-CE1 3.38Å; Y247-Y443 HydrophobicContact CE1-CE1 3.38Å; Y247-Y443 HydrophobicContact CG-CE1 4.47Å; Y247-Y443 PolarHBondContact N-OH 3.14Å | ||
| 444 | F | 95.3 | Very high | 87.7 | Confident | 60 Ų | 60 | 40.2 Ų | 40.2 | 26% | 0.263 | 20% | 0.198 | S | C | . | . | trans | -76.1 | 129 | 171.1 | -67.4 | -73.3 | 0 | 0 | 0 | 109.4 | S94 V97 E98 V511 K513 | S94-F444 WeakPolarHBondContact O-CE1 3.42Å; S94-F444 WeakPolarHBondContact O-CZ 3.37Å; V97-F444 HydrophobicContact CB-CE1 4.28Å; V97-F444 HydrophobicContact CG1-CE1 4.34Å; E98-F444 HydrophobicContact CB-CZ 4.26Å; F444-V511 HydrophobicContact CB-CG2 4.32Å; F444-V511 HydrophobicContact CD1-CG2 4.01Å; F444-K513 HydrophobicContact CD1-CB 4.36Å; F444-K513 HydrophobicContact CD1-CD 3.84Å; F444-K513 HydrophobicContact CE1-CD 3.61Å; F444-K513 HydrophobicContact CE2-CD 4.47Å; F444-K513 HydrophobicContact CG-CD 4.35Å; F444-K513 HydrophobicContact CZ-CD 3.97Å | ||
| 445 | T | 94.3 | Very high | 87.5 | Confident | 14 Ų | 14 | 37 Ų | 37 | 9% | 0.086 | 19% | 0.19 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109 | 150.2 | 169.1 | -157.8 | 0 | 0 | 0 | 0 | 110.1 | Q243 A244 V511 A512 | Q243-T445 HydrophobicContact CB-CG2 3.96Å; Q243-T445 VanDerWaalsContact CB-OG1 3.26Å; Q243-T445 WeakPolarHBondContact CB-OG1 3.4Å; Q243-T445 PolarHBondContact OE1-OG1 3.35Å; A244-T445 HydrophobicContact CB-CG2 3.65Å; T445-V511 CarbonylContact O-C 3.53Å; T445-V511 VanDerWaalsContact O-CA 3.29Å; T445-V511 WeakPolarHBondContact O-CA 3.16Å; T445-A512 HydrophobicContact CG2-CB 3.87Å; T445-A512 PolarHBondContact N-O 3.33Å; T445-A512 PolarHBondContact O-N 3.17Å |
| 446 | W | 95.4 | Very high | 87.4 | Confident | 8 Ų | 8 | 36.4 Ų | 36.4 | 3% | 0.03 | 18% | 0.184 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.1 | 128.3 | 175.9 | -71.1 | 84.2 | 0 | 0 | 0 | 109.3 | V90 Q243 T509 S510 V511 I538 F543 Q654 T655 P656 F657 | V90-W446 HydrophobicContact CB-CH2 4.23Å; V90-W446 HydrophobicContact CB-CZ2 4.11Å; V90-W446 HydrophobicContact CG1-CH2 4.29Å; V90-W446 HydrophobicContact CG1-CZ2 3.66Å; V90-W446 HydrophobicContact CG2-CH2 3.84Å; V90-W446 HydrophobicContact CG2-CZ2 4.02Å; Q243-W446 PolarHBondContact OE1-O 3.28Å; W446-T509 HydrophobicContact CE3-CG2 4.29Å; W446-T509 HydrophobicContact CZ3-CG2 4.21Å; W446-S510 WeakPolarHBondContact CA-O 3.41Å; W446-V511 HydrophobicContact CD2-CB 3.9Å; W446-V511 HydrophobicContact CD2-CG2 4.15Å; W446-V511 HydrophobicContact CE3-CB 3.99Å; W446-V511 HydrophobicContact CH2-CB 3.78Å; W446-V511 HydrophobicContact CH2-CG1 4.03Å; W446-V511 HydrophobicContact CH2-CG2 4.32Å; W446-V511 HydrophobicContact CZ2-CB 3.64Å; W446-V511 HydrophobicContact CZ2-CG1 4.16Å; W446-V511 HydrophobicContact CZ2-CG2 3.66Å; W446-V511 HydrophobicContact CZ3-CB 3.97Å; W446-V511 HydrophobicContact CZ3-CG1 4.43Å; W446-I538 HydrophobicContact CE3-CD1 4.44Å; W446-I538 HydrophobicContact CH2-CD1 3.45Å; W446-I538 VanDerWaalsContact CH2-CD1 3.45Å; W446-I538 HydrophobicContact CZ3-CD1 3.3Å; W446-F543 HydrophobicContact CZ3-CZ 4.29Å; W446-Q654 PolarHBondContact NE1-O 3.4Å; W446-T655 HydrophobicContact CD2-CG2 4.12Å; W446-T655 HydrophobicContact CG-CG2 4.45Å; W446-T655 HydrophobicContact CZ2-CG2 4.12Å; W446-P656 HydrophobicContact CB-CG 3.98Å; W446-F657 HydrophobicContact CB-CE1 4.18Å; W446-F657 HydrophobicContact CB-CE2 4.17Å; W446-F657 HydrophobicContact CB-CZ 3.65Å; W446-F657 HydrophobicContact CD2-CE2 4.1Å; W446-F657 HydrophobicContact CD2-CZ 4.41Å; W446-F657 AromaticContact CE3-CE2 3.64Å; W446-F657 HydrophobicContact CE3-CE2 3.64Å; W446-F657 HydrophobicContact CE3-CZ 4.06Å; W446-F657 HydrophobicContact CG-CE2 4.33Å; W446-F657 HydrophobicContact CG-CZ 4.29Å; W446-F657 HydrophobicContact CZ3-CE2 4.35Å |
| 447 | T | 94 | Very high | 87.2 | Confident | 0 Ų | 0 | 39.8 Ų | 39.8 | 0% | 0 | 20% | 0.199 | C | C | . | . | trans | -77.5 | 157.1 | 174.9 | 67 | 0 | 0 | 0 | 0 | 111 | P239 W240 T509 S510 F657 | P239-T447 HydrophobicContact CB-CG2 3.99Å; W240-T447 VanDerWaalsContact CA-CG2 3.44Å; W240-T447 HydrophobicContact CB-CG2 3.57Å; T447-T509 PolarHBondContact O-OG1 3.35Å; T447-S510 PolarHBondContact N-O 3.35Å; T447-S510 PolarHBondContact OG1-N 3.18Å; T447-F657 WeakPolarHBondContact O-CZ 3.45Å | ||
| 448 | G | 93.3 | Very high | 86.7 | Confident | 12 Ų | 12 | 48.4 Ų | 48.4 | 12% | 0.124 | 23% | 0.234 | C | C | . | . | trans | -63.3 | -165 | 159.2 | 0 | 0 | 0 | 0 | 0 | 112.1 | T450 | G448-T450 PolarHBondContact O-N 2.8Š| ||
| 449 | V | 92.3 | Very high | 86.4 | Confident | 2 Ų | 2 | 44.9 Ų | 44.9 | 1% | 0.012 | 22% | 0.215 | C | C | . | . | trans | -67.5 | 132.2 | 178.6 | 65.7 | 0 | 0 | 0 | 0 | 111.4 | M507 L540 Y585 Q586 | V449-M507 HydrophobicContact CG2-CB 3.79Å; V449-M507 HydrophobicContact CG2-CG 3.98Å; V449-M507 HydrophobicContact CG2-SD 3.92Å; V449-L540 HydrophobicContact CB-CD1 4.2Å; V449-L540 HydrophobicContact CG2-CD1 3.68Å; V449-Y585 HydrophobicContact CG1-CD2 4.4Å; V449-Y585 HydrophobicContact CG1-CE2 4.48Å; V449-Q586 HydrophobicContact CG1-CB 4.42Å; V449-Q586 WeakPolarHBondContact O-CG 3.48Å; V449-Q586 PolarHBondContact O-NE2 2.9Å | ||
| 450 | T | 88.8 | Confident | 86 | Confident | 6 Ų | 6 | 44.5 Ų | 44.5 | 4% | 0.037 | 21% | 0.212 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -133.2 | 142.9 | 175.4 | 62.3 | 0 | 0 | 0 | 0 | 109.7 | G448 Y508 | G448-T450 PolarHBondContact O-N 2.8Å; T450-Y508 PolarHBondContact N-O 3.18Å; T450-Y508 PolarHBondContact O-N 3.02Å; T450-Y508 PolarHBondContact OG1-O 2.96Å; T450-Y508 VanDerWaalsContact OG1-O 3.05Å |
| 451 | V | 81.8 | Confident | 85.5 | Confident | 35 Ų | 35 | 44.4 Ų | 44.4 | 21% | 0.212 | 22% | 0.215 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -74.9 | 161.3 | 161 | -67 | 0 | 0 | 0 | 0 | 109.8 | Q453 P505 M507 L581 Y585 | V451-Q453 PolarHBondContact O-N 2.92Å; V451-P505 HydrophobicContact CG1-CB 4.02Å; V451-P505 HydrophobicContact CG1-CG 4.08Å; V451-M507 HydrophobicContact CG1-CE 3.86Å; V451-M507 HydrophobicContact CG1-SD 3.5Å; V451-M507 VanDerWaalsContact CG1-SD 3.5Å; V451-L581 HydrophobicContact CB-CD2 4.22Å; V451-L581 HydrophobicContact CG1-CD1 3.71Å; V451-L581 HydrophobicContact CG1-CD2 3.56Å; V451-L581 HydrophobicContact CG1-CG 4.3Å; V451-L581 HydrophobicContact CG2-CD2 3.67Å; V451-Y585 HydrophobicContact CG1-CE2 3.97Å; V451-Y585 PolarHBondContact N-OH 3.1Å |
| 452 | R | 68.5 | Low | 84.9 | Confident | 81 Ų | 81 | 46.7 Ų | 46.7 | 31% | 0.306 | 22% | 0.224 | S | C | . | . | trans | -40.4 | 114.7 | 178.2 | -175.7 | 172.1 | 168.9 | -158.5 | -15.7 | 112.7 | Q155 F454 Y508 | Q155-R452 VanDerWaalsContact CD-NH1 3.29Å; R452-F454 VanDerWaalsContact C-N 3.28Å; R452-F454 HydrophobicContact CG-CB 4.48Å; R452-F454 PolarHBondContact O-N 3.12Å; R452-Y508 HydrophobicContact CB-CE2 4.24Å | ||
| 453 | Q | 70.3 | Confident | 84.2 | Confident | 15 Ų | 15 | 47.2 Ų | 47.2 | 7% | 0.07 | 23% | 0.225 | C | C | . | . | trans | -71.9 | -23.7 | -176.6 | -58.5 | 178 | 12.4 | 0 | 0 | 113 | F233 V451 S510 | F233-Q453 HydrophobicContact CE2-CB 4.48Å; F233-Q453 WeakPolarHBondContact CE2-O 3.33Å; V451-Q453 PolarHBondContact O-N 2.92Å; Q453-S510 PolarHBondContact NE2-OG 3.18Å | ||
| 454 | F | 81.5 | Confident | 83.5 | Confident | 5 Ų | 5 | 48.2 Ų | 48.2 | 2% | 0.022 | 23% | 0.23 | C | C | . | . | trans | -87.3 | 111.6 | -175.9 | -60 | -89.8 | 0 | 0 | 0 | 111.6 | W203 Y205 F213 Y215 W221 R452 L456 D537 | W203-F454 HydrophobicContact CB-CD2 4.46Å; W203-F454 HydrophobicContact CB-CE2 3.54Å; W203-F454 HydrophobicContact CB-CZ 3.83Å; W203-F454 HydrophobicContact CD2-CD2 4.09Å; W203-F454 AromaticContact CD2-CE2 3.95Å; W203-F454 HydrophobicContact CD2-CE2 3.95Å; W203-F454 HydrophobicContact CD2-CZ 4.32Å; W203-F454 HydrophobicContact CE3-CE1 4.43Å; W203-F454 HydrophobicContact CE3-CE2 4.38Å; W203-F454 HydrophobicContact CE3-CZ 4.33Å; W203-F454 AromaticContact CG-CD2 4Å; W203-F454 HydrophobicContact CG-CD2 4Å; W203-F454 AromaticContact CG-CE2 3.54Å; W203-F454 HydrophobicContact CG-CE2 3.54Å; W203-F454 HydrophobicContact CG-CZ 4.11Å; Y205-F454 HydrophobicContact CD1-CE2 4.35Å; Y205-F454 AromaticContact CD1-CZ 3.65Å; Y205-F454 HydrophobicContact CD1-CZ 3.65Å; Y205-F454 HydrophobicContact CE1-CE2 4.33Å; Y205-F454 HydrophobicContact CE1-CZ 4.04Å; Y205-F454 HydrophobicContact CG-CZ 4.45Å; F213-F454 HydrophobicContact CE1-CD1 4.02Å; F213-F454 AromaticContact CE1-CE1 3.47Å; F213-F454 HydrophobicContact CE1-CE1 3.47Å; F213-F454 VanDerWaalsContact CE1-CE1 3.47Å; F213-F454 HydrophobicContact CE1-CZ 4.26Å; F213-F454 HydrophobicContact CZ-CD1 4.42Å; F213-F454 AromaticContact CZ-CE1 3.52Å; F213-F454 HydrophobicContact CZ-CE1 3.52Å; F213-F454 AromaticContact CZ-CZ 3.85Å; F213-F454 HydrophobicContact CZ-CZ 3.85Å; Y215-F454 HydrophobicContact CD1-CD1 4.36Å; Y215-F454 HydrophobicContact CD1-CE1 4.01Å; Y215-F454 HydrophobicContact CD2-CD1 4.09Å; Y215-F454 AromaticContact CD2-CE1 3.82Å; Y215-F454 HydrophobicContact CD2-CE1 3.82Å; Y215-F454 HydrophobicContact CE2-CD1 4.29Å; Y215-F454 HydrophobicContact CE2-CE1 4.46Å; Y215-F454 HydrophobicContact CG-CD1 4.12Å; Y215-F454 AromaticContact CG-CE1 3.55Å; Y215-F454 HydrophobicContact CG-CE1 3.55Å; W221-F454 HydrophobicContact CZ3-CB 4.23Å; W221-F454 AromaticContact CZ3-CD1 3.96Å; W221-F454 HydrophobicContact CZ3-CD1 3.96Å; R452-F454 VanDerWaalsContact C-N 3.28Å; R452-F454 HydrophobicContact CG-CB 4.48Å; R452-F454 PolarHBondContact O-N 3.12Å; F454-L456 VanDerWaalsContact C-N 3.31Å; F454-L456 HydrophobicContact CB-CD1 4.14Å; F454-L456 HydrophobicContact CB-CD2 3.85Å; F454-L456 HydrophobicContact CB-CG 3.71Å; F454-L456 PolarHBondContact O-N 3.3Å; F454-D537 WeakPolarHBondContact CE2-OD2 3.28Å | ||
| 455 | N | 84.9 | Confident | 82.3 | Confident | 50 Ų | 50 | 50.3 Ų | 50.3 | 27% | 0.267 | 25% | 0.253 | S | S | . | . | trans | -80.4 | 77.9 | 170.8 | -167 | 39.9 | 0 | 0 | 0 | 110.1 | W221 D222 Q224 | W221-N455 HydrophobicContact CH2-CB 4.41Å; W221-N455 HydrophobicContact CZ2-CB 3.77Å; D222-N455 PolarHBondContact N-O 3.13Å; D222-N455 PolarHBondContact O-ND2 2.72Å; Q224-N455 VanDerWaalsContact CG-ND2 3.34Å; Q224-N455 WeakPolarHBondContact CG-ND2 3.4Å | ||
| 456 | L | 85.9 | Confident | 80.6 | Confident | 14 Ų | 14 | 53 Ų | 53 | 7% | 0.073 | 27% | 0.267 | C | S | . | . | B | Isolated β-bridge | trans | -91.4 | 145.6 | -176 | -51.4 | -176.9 | 0 | 0 | 0 | 112.4 | W203 Y215 A219 M220 W221 F454 K458 | W203-L456 HydrophobicContact CH2-CD1 3.39Å; W203-L456 HydrophobicContact CZ2-CD1 3.78Å; W203-L456 HydrophobicContact CZ3-CD1 4.15Å; Y215-L456 HydrophobicContact CE2-CD2 4.36Å; A219-L456 HydrophobicContact CB-CD1 3.56Å; A219-L456 HydrophobicContact CB-CD2 3.93Å; A219-L456 HydrophobicContact CB-CG 4.28Å; M220-L456 CarbonylContact O-C 3.58Å; M220-L456 VanDerWaalsContact O-CA 3.29Å; M220-L456 WeakPolarHBondContact O-CA 3.44Å; M220-L456 WeakPolarHBondContact O-CB 3.44Å; W221-L456 HydrophobicContact CE3-CD2 3.88Å; W221-L456 HydrophobicContact CZ3-CD2 4.28Å; F454-L456 VanDerWaalsContact C-N 3.31Å; F454-L456 HydrophobicContact CB-CD1 4.14Å; F454-L456 HydrophobicContact CB-CD2 3.85Å; F454-L456 HydrophobicContact CB-CG 3.71Å; F454-L456 PolarHBondContact O-N 3.3Å; L456-K458 PolarHBondContact O-N 2.9Å |
| 457 | K | 84.7 | Confident | 78.6 | Confident | 73 Ų | 73 | 55.3 Ų | 55.3 | 32% | 0.317 | 28% | 0.283 | S | S | . | . | trans | -62.9 | 125.4 | -178.9 | -166.5 | 160.7 | -173.3 | 151.6 | 0 | 110.8 | M220 D222 L459 | M220-K457 HydrophobicContact CB-CB 3.93Å; M220-K457 PolarHBondContact O-N 2.76Å; D222-K457 HydrophobicContact CB-CB 4.3Å; K457-L459 HydrophobicContact CD-CD2 4.23Å; K457-L459 HydrophobicContact CG-CD2 3.97Å; K457-L459 HydrophobicContact CG-CG 4.47Å; K457-L459 PolarHBondContact O-N 3.2Å; K457-L459 VanDerWaalsContact O-N 3.08Å | ||
| 458 | K | 80 | Confident | 76.6 | Confident | 197 Ų | 197 | 63.9 Ų | 63.9 | 86% | 0.857 | 32% | 0.316 | S | S | * | . | trans | -74.9 | 95.4 | 175.9 | -65.7 | -176.6 | -178.5 | -178.7 | 0 | 109.6 | L456 | L456-K458 PolarHBondContact O-N 2.9Š| ||
| 459 | L | 81.6 | Confident | 74.6 | Confident | 21 Ų | 21 | 66.5 Ų | 66.5 | 11% | 0.11 | 33% | 0.327 | C | S | . | . | trans | -94.3 | 143.2 | 178.1 | -60.9 | 178.4 | 0 | 0 | 0 | 111.1 | I128 L146 Y156 M220 K457 F464 | I128-L459 HydrophobicContact CD1-CD1 3.91Å; I128-L459 HydrophobicContact CD1-CD2 3.53Å; I128-L459 HydrophobicContact CD1-CG 4.35Å; L146-L459 HydrophobicContact CD1-CD1 3.82Å; Y156-L459 HydrophobicContact CD2-CB 3.61Å; Y156-L459 HydrophobicContact CD2-CD1 4.5Å; Y156-L459 HydrophobicContact CE2-CB 3.99Å; Y156-L459 WeakPolarHBondContact CE2-O 3.46Å; Y156-L459 HydrophobicContact CG-CB 4.13Å; Y156-L459 HydrophobicContact CG-CD1 4.21Å; M220-L459 HydrophobicContact SD-CD1 3.96Å; K457-L459 HydrophobicContact CD-CD2 4.23Å; K457-L459 HydrophobicContact CG-CD2 3.97Å; K457-L459 HydrophobicContact CG-CG 4.47Å; K457-L459 PolarHBondContact O-N 3.2Å; K457-L459 VanDerWaalsContact O-N 3.08Å; L459-F464 HydrophobicContact CB-CE2 4.36Å; L459-F464 HydrophobicContact CD1-CE2 4.48Å; L459-F464 HydrophobicContact CD1-CZ 4.16Å | ||
| 460 | K | 79.2 | Confident | 72.6 | Confident | 126 Ų | 126 | 69.4 Ų | 69.4 | 55% | 0.548 | 34% | 0.342 | S | S | . | . | trans | -113.1 | 157 | 172.4 | -63.5 | -174.7 | 178.8 | -175.1 | 0 | 110.1 | E462 N463 | K460-E462 PolarHBondContact O-N 2.82Å; K460-E462 VanDerWaalsContact O-N 3.16Å; K460-N463 WeakPolarHBondContact CA-OD1 3.49Å; K460-N463 PolarHBondContact N-OD1 2.52Å; K460-N463 VanDerWaalsContact O-CB 3.31Å; K460-N463 WeakPolarHBondContact O-CB 3.26Å; K460-N463 PolarHBondContact O-N 2.85Å; K460-N463 PolarHBondContact O-OD1 3.5Å | ||
| 461 | P | 74.6 | Confident | 70.2 | Confident | 78 Ų | 78 | 75.1 Ų | 75.1 | 51% | 0.506 | 37% | 0.372 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -52.8 | -36.7 | 175.6 | -26.4 | 34.6 | 0 | 0 | 0 | 113.4 | N463 F464 S465 | P461-N463 PolarHBondContact O-N 2.82Å; P461-N463 VanDerWaalsContact O-N 3.17Å; P461-F464 PolarHBondContact O-N 3.09Å; P461-S465 PolarHBondContact O-OG 2.94Å |
| 462 | E | 75.3 | Confident | 67.9 | Low | 114 Ų | 114 | 78.6 Ų | 78.6 | 53% | 0.533 | 39% | 0.388 | S | S | . | . | H | α-helix | trans | -55.7 | -30.8 | 176.7 | -65.3 | 149.1 | -152.2 | 0 | 0 | 113.5 | K460 F464 S465 N466 I469 | K460-E462 PolarHBondContact O-N 2.82Å; K460-E462 VanDerWaalsContact O-N 3.16Å; E462-F464 PolarHBondContact O-N 3.41Å; E462-S465 PolarHBondContact O-N 3.15Å; E462-N466 PolarHBondContact O-N 2.84Å; E462-I469 HydrophobicContact CB-CD1 4.33Å |
| 463 | N | 74.6 | Confident | 66.5 | Low | 23 Ų | 23 | 79.3 Ų | 79.3 | 12% | 0.123 | 40% | 0.404 | C | S | . | . | H | α-helix | trans | -66.3 | -23.4 | 179 | -63.6 | 112.8 | 0 | 0 | 0 | 113.1 | I128 K460 P461 | I128-N463 HydrophobicContact CD1-CB 4.36Å; K460-N463 WeakPolarHBondContact CA-OD1 3.49Å; K460-N463 PolarHBondContact N-OD1 2.52Å; K460-N463 VanDerWaalsContact O-CB 3.31Å; K460-N463 WeakPolarHBondContact O-CB 3.26Å; K460-N463 PolarHBondContact O-N 2.85Å; K460-N463 PolarHBondContact O-OD1 3.5Å; P461-N463 PolarHBondContact O-N 2.82Å; P461-N463 VanDerWaalsContact O-N 3.17Å |
| 464 | F | 77 | Confident | 65 | Low | 78 Ų | 78 | 81.2 Ų | 81.2 | 34% | 0.342 | 42% | 0.418 | S | S | . | . | H | α-helix | trans | -88 | -29.2 | 178.8 | -63.9 | -97.5 | 0 | 0 | 0 | 111.9 | I128 L146 Y156 L459 P461 E462 | I128-F464 HydrophobicContact CG2-CD1 3.22Å; I128-F464 HydrophobicContact CG2-CE1 3.15Å; I128-F464 HydrophobicContact CG2-CE2 4.43Å; I128-F464 HydrophobicContact CG2-CG 3.94Å; I128-F464 HydrophobicContact CG2-CZ 3.79Å; L146-F464 HydrophobicContact CB-CE1 4.33Å; L146-F464 HydrophobicContact CB-CZ 4.35Å; Y156-F464 HydrophobicContact CD1-CE1 4.27Å; Y156-F464 AromaticContact CD1-CE2 3.53Å; Y156-F464 HydrophobicContact CD1-CE2 3.53Å; Y156-F464 AromaticContact CD1-CZ 3.26Å; Y156-F464 HydrophobicContact CD1-CZ 3.26Å; Y156-F464 HydrophobicContact CE1-CD2 4.02Å; Y156-F464 HydrophobicContact CE1-CE1 4.34Å; Y156-F464 AromaticContact CE1-CE2 3.16Å; Y156-F464 HydrophobicContact CE1-CE2 3.16Å; Y156-F464 AromaticContact CE1-CZ 3.37Å; Y156-F464 HydrophobicContact CE1-CZ 3.37Å; Y156-F464 HydrophobicContact CE2-CE2 4.24Å; Y156-F464 HydrophobicContact CG-CE2 4.19Å; Y156-F464 HydrophobicContact CG-CZ 4Å; Y156-F464 AromaticContact CZ-CE2 3.56Å; L459-F464 HydrophobicContact CB-CE2 4.36Å; L459-F464 HydrophobicContact CD1-CE2 4.48Å; L459-F464 HydrophobicContact CD1-CZ 4.16Å; P461-F464 PolarHBondContact O-N 3.09Å; E462-F464 PolarHBondContact O-N 3.41Å |
| 465 | S | 70 | Confident | 62.9 | Low | 105 Ų | 105 | 91.8 Ų | 91.8 | 73% | 0.734 | 46% | 0.458 | S | S | * | . | H | α-helix | trans | -82.4 | -32.4 | -177.2 | -46.3 | 0 | 0 | 0 | 0 | 113.2 | P461 E462 | P461-S465 PolarHBondContact O-OG 2.94Å; E462-S465 PolarHBondContact O-N 3.15Å |
| 466 | N | 58.4 | Low | 60.6 | Low | 70 Ų | 70 | 93.2 Ų | 93.2 | 37% | 0.374 | 47% | 0.472 | S | S | . | . | trans | -133.9 | 96.6 | -177.8 | -174.2 | -5.8 | 0 | 0 | 0 | 110.7 | E462 Y468 I469 | E462-N466 PolarHBondContact O-N 2.84Å; N466-Y468 PolarHBondContact O-N 2.78Å; N466-Y468 VanDerWaalsContact O-N 3.1Å; N466-Y468 WeakPolarHBondContact OD1-CB 3.44Å; N466-Y468 PolarHBondContact OD1-N 3.38Å; N466-I469 HydrophobicContact CB-CD1 3.7Å; N466-I469 HydrophobicContact CB-CG1 3.86Å; N466-I469 WeakPolarHBondContact O-CB 3.46Å; N466-I469 PolarHBondContact O-N 3.28Å | ||
| 467 | P | 54.1 | Low | 58.4 | Low | 57 Ų | 57 | 97.5 Ų | 97.5 | 37% | 0.37 | 49% | 0.491 | S | S | . | . | G | 310 helix | trans | -65.2 | -18.1 | -175.5 | 25.8 | -33.3 | 0 | 0 | 0 | 113.4 | V129 I469 L470 | V129-P467 HydrophobicContact CG2-CB 3.7Å; P467-I469 VanDerWaalsContact C-N 3.28Å; P467-I469 PolarHBondContact O-N 3.35Å; P467-L470 PolarHBondContact O-N 2.94Å |
| 468 | Y | 51.6 | Low | 55.9 | Low | 179 Ų | 179 | 99.2 Ų | 99.2 | 70% | 0.702 | 50% | 0.501 | S | S | * | . | G | 310 helix | trans | -71.7 | -19.2 | 175.7 | -67 | -79.3 | 0 | 0 | 0 | 113.4 | N466 L470 N471 I472 | N466-Y468 PolarHBondContact O-N 2.78Å; N466-Y468 VanDerWaalsContact O-N 3.1Å; N466-Y468 WeakPolarHBondContact OD1-CB 3.44Å; N466-Y468 PolarHBondContact OD1-N 3.38Å; Y468-L470 PolarHBondContact O-N 3.49Å; Y468-N471 PolarHBondContact O-N 2.81Å; Y468-N471 VanDerWaalsContact O-N 3.08Å; Y468-I472 PolarHBondContact O-N 2.95Å |
| 469 | I | 50.9 | Low | 53.8 | Low | 68 Ų | 68 | 95.1 Ų | 95.1 | 35% | 0.349 | 49% | 0.489 | S | S | . | . | G | 310 helix | trans | -65.1 | -28.3 | 175.3 | -60.9 | 178.5 | 0 | 0 | 0 | 110.8 | E462 N466 P467 N471 | E462-I469 HydrophobicContact CB-CD1 4.33Å; N466-I469 HydrophobicContact CB-CD1 3.7Å; N466-I469 HydrophobicContact CB-CG1 3.86Å; N466-I469 WeakPolarHBondContact O-CB 3.46Å; N466-I469 PolarHBondContact O-N 3.28Å; P467-I469 VanDerWaalsContact C-N 3.28Å; P467-I469 PolarHBondContact O-N 3.35Å; I469-N471 VanDerWaalsContact C-N 3.3Å; I469-N471 PolarHBondContact O-N 3.37Å |
| 470 | L | 50 | Low | 51.4 | Low | 62 Ų | 62 | 94.9 Ų | 94.9 | 33% | 0.325 | 49% | 0.491 | S | S | . | . | G | 310 helix | trans | -72.8 | -22 | 174.9 | -72.6 | 156.6 | 0 | 0 | 0 | 113.4 | I128 P467 Y468 | I128-L470 HydrophobicContact CD1-CD1 3.93Å; I128-L470 HydrophobicContact CD1-CD2 4.2Å; I128-L470 HydrophobicContact CG1-CD1 4.37Å; P467-L470 PolarHBondContact O-N 2.94Å; Y468-L470 PolarHBondContact O-N 3.49Å |
| 471 | N | 39.5 | Very low | 49.3 | Very low | 126 Ų | 126 | 93.2 Ų | 93.2 | 67% | 0.674 | 48% | 0.484 | S | S | * | . | G | 310 helix | trans | -106.6 | 5.8 | -172.5 | -86.9 | -9.7 | 0 | 0 | 0 | 113.5 | Y468 I469 P473 | Y468-N471 PolarHBondContact O-N 2.81Å; Y468-N471 VanDerWaalsContact O-N 3.08Å; I469-N471 VanDerWaalsContact C-N 3.3Å; I469-N471 PolarHBondContact O-N 3.37Å; N471-P473 WeakPolarHBondContact O-CD 3.4Å |
| 472 | I | 34.1 | Very low | 47.4 | Very low | 108 Ų | 108 | 93.3 Ų | 93.3 | 55% | 0.554 | 48% | 0.478 | S | S | * | . | trans | -64.2 | 106.6 | 166.5 | -58.5 | 175.7 | 0 | 0 | 0 | 105.1 | Y468 S474 | Y468-I472 PolarHBondContact O-N 2.95Å; I472-S474 PolarHBondContact O-N 2.92Å; I472-S474 VanDerWaalsContact O-N 3.09Å | ||
| 473 | P | 38.4 | Very low | 45.4 | Very low | 96 Ų | 96 | 93.7 Ų | 93.7 | 62% | 0.623 | 48% | 0.48 | S | S | * | . | trans | -61.7 | 125.7 | 171.2 | -6.9 | 25.3 | 0 | 0 | 0 | 103.5 | N471 R475 | N471-P473 WeakPolarHBondContact O-CD 3.4Å; P473-R475 PolarHBondContact O-N 3.38Å | ||
| 474 | S | 39.8 | Very low | 43.5 | Very low | 55 Ų | 55 | 98 Ų | 98 | 39% | 0.385 | 50% | 0.504 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -51.7 | 28.2 | 171.3 | 31.1 | 0 | 0 | 0 | 0 | 114.4 | I472 S476 F477 M478 | I472-S474 PolarHBondContact O-N 2.92Å; I472-S474 VanDerWaalsContact O-N 3.09Å; S474-S476 PolarHBondContact O-N 2.99Å; S474-F477 VanDerWaalsContact C-N 3.32Å; S474-F477 CarbonylContact O-C 3.55Å; S474-F477 WeakPolarHBondContact O-CA 3.42Å; S474-F477 WeakPolarHBondContact O-CB 3.37Å; S474-F477 PolarHBondContact O-N 3.42Å; S474-M478 PolarHBondContact O-N 2.83Å; S474-M478 VanDerWaalsContact O-N 3.14Å |
| 475 | R | 37.2 | Very low | 41.3 | Very low | 227 Ų | 227 | 99 Ų | 99 | 86% | 0.857 | 51% | 0.51 | S | S | * | . | H | α-helix | trans | -55.8 | -31.4 | 162.5 | -91.2 | -171.5 | 171.1 | -175.5 | -2.2 | 111.5 | P473 | P473-R475 PolarHBondContact O-N 3.38Å |
| 476 | S | 36.9 | Very low | 39.6 | Very low | 80 Ų | 80 | 100.5 Ų | 100.5 | 56% | 0.559 | 51% | 0.509 | S | S | * | . | H | α-helix | trans | -90.7 | 4.4 | 168.5 | 71.9 | 0 | 0 | 0 | 0 | 113.7 | S474 G480 | S474-S476 PolarHBondContact O-N 2.99Å; S476-G480 WeakPolarHBondContact O-CA 3.41Å; S476-G480 PolarHBondContact O-N 2.69Å |
| 477 | F | 38.2 | Very low | 38.1 | Very low | 105 Ų | 105 | 101.5 Ų | 101.5 | 46% | 0.461 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -91.8 | -26.3 | 167.7 | -167.2 | -100.9 | 0 | 0 | 0 | 110.7 | S474 G480 F481 | S474-F477 VanDerWaalsContact C-N 3.32Å; S474-F477 CarbonylContact O-C 3.55Å; S474-F477 WeakPolarHBondContact O-CA 3.42Å; S474-F477 WeakPolarHBondContact O-CB 3.37Å; S474-F477 PolarHBondContact O-N 3.42Å; F477-G480 CarbonylContact O-C 3.59Å; F477-G480 PolarHBondContact O-N 3.33Å; F477-F481 HydrophobicContact CD1-CB 3.73Å; F477-F481 HydrophobicContact CD1-CD2 4.37Å; F477-F481 HydrophobicContact CD1-CG 4.17Å; F477-F481 HydrophobicContact CD2-CB 4.4Å; F477-F481 HydrophobicContact CE1-CB 3.64Å; F477-F481 HydrophobicContact CE1-CD1 4.37Å; F477-F481 AromaticContact CE1-CD2 3.43Å; F477-F481 HydrophobicContact CE1-CD2 3.43Å; F477-F481 VanDerWaalsContact CE1-CD2 3.43Å; F477-F481 HydrophobicContact CE1-CE2 4.11Å; F477-F481 AromaticContact CE1-CG 3.57Å; F477-F481 HydrophobicContact CE1-CG 3.57Å; F477-F481 HydrophobicContact CE2-CB 4.32Å; F477-F481 AromaticContact CE2-CD2 3.93Å; F477-F481 HydrophobicContact CE2-CD2 3.93Å; F477-F481 HydrophobicContact CG-CB 4.13Å; F477-F481 HydrophobicContact CZ-CB 3.96Å; F477-F481 AromaticContact CZ-CD2 3.17Å; F477-F481 HydrophobicContact CZ-CD2 3.17Å; F477-F481 AromaticContact CZ-CE2 3.81Å; F477-F481 HydrophobicContact CZ-CE2 3.81Å; F477-F481 AromaticContact CZ-CG 3.8Å; F477-F481 HydrophobicContact CZ-CG 3.8Å; F477-F481 VanDerWaalsContact O-CA 3.24Å; F477-F481 WeakPolarHBondContact O-CA 3.27Å; F477-F481 WeakPolarHBondContact O-CB 3.29Å; F477-F481 PolarHBondContact O-N 3.05Å |
| 478 | M | 31.8 | Very low | 37 | Very low | 109 Ų | 109 | 107 Ų | 107 | 54% | 0.537 | 53% | 0.534 | S | S | . | . | H | α-helix | trans | -69.3 | -41.9 | 164.7 | -91.7 | -65.4 | -156.3 | 0 | 0 | 110.4 | S474 G480 M482 | S474-M478 PolarHBondContact O-N 2.83Å; S474-M478 VanDerWaalsContact O-N 3.14Å; M478-G480 VanDerWaalsContact C-N 3.33Å; M478-G480 PolarHBondContact O-N 3.06Å; M478-M482 WeakPolarHBondContact O-CB 3.42Å; M478-M482 PolarHBondContact O-N 2.87Å |
| 479 | N | 36.5 | Very low | 35.9 | Very low | 111 Ų | 111 | 103.4 Ų | 103.4 | 59% | 0.594 | 53% | 0.532 | S | S | * | . | H | α-helix | trans | -69.4 | -29.2 | 169.2 | -80.8 | 4.1 | 0 | 0 | 0 | 112.8 | Q483 | N479-Q483 VanDerWaalsContact O-CA 3.25Å; N479-Q483 WeakPolarHBondContact O-CA 3.5Å; N479-Q483 WeakPolarHBondContact O-CB 3.26Å; N479-Q483 WeakPolarHBondContact O-CG 3.28Å; N479-Q483 PolarHBondContact O-N 3.42Å; N479-Q483 PolarHBondContact O-OE1 2.96Å |
| 480 | G | 32.2 | Very low | 35 | Very low | 16 Ų | 16 | 107.4 Ų | 107.4 | 17% | 0.165 | 55% | 0.55 | C | S | . | . | H | α-helix | trans | -92.6 | -15.4 | -178.7 | 0 | 0 | 0 | 0 | 0 | 114.6 | S476 F477 M478 N484 | S476-G480 WeakPolarHBondContact O-CA 3.41Å; S476-G480 PolarHBondContact O-N 2.69Å; F477-G480 CarbonylContact O-C 3.59Å; F477-G480 PolarHBondContact O-N 3.33Å; M478-G480 VanDerWaalsContact C-N 3.33Å; M478-G480 PolarHBondContact O-N 3.06Å; G480-N484 WeakPolarHBondContact O-CA 3.41Å; G480-N484 WeakPolarHBondContact O-CB 3.01Å; G480-N484 PolarHBondContact O-N 3.42Å; G480-N484 PolarHBondContact O-ND2 3.47Å; G480-N484 PolarHBondContact O-OD1 3.29Å; G480-N484 VanDerWaalsContact O-OD1 3.05Å |
| 481 | F | 35.3 | Very low | 34 | Very low | 91 Ų | 91 | 109.7 Ų | 109.7 | 40% | 0.399 | 57% | 0.568 | S | S | . | * | H | α-helix | trans | -98 | -32.3 | 173.8 | -166.6 | -101.5 | 0 | 0 | 0 | 109 | F477 M485 | F477-F481 HydrophobicContact CD1-CB 3.73Å; F477-F481 HydrophobicContact CD1-CD2 4.37Å; F477-F481 HydrophobicContact CD1-CG 4.17Å; F477-F481 HydrophobicContact CD2-CB 4.4Å; F477-F481 HydrophobicContact CE1-CB 3.64Å; F477-F481 HydrophobicContact CE1-CD1 4.37Å; F477-F481 AromaticContact CE1-CD2 3.43Å; F477-F481 HydrophobicContact CE1-CD2 3.43Å; F477-F481 VanDerWaalsContact CE1-CD2 3.43Å; F477-F481 HydrophobicContact CE1-CE2 4.11Å; F477-F481 AromaticContact CE1-CG 3.57Å; F477-F481 HydrophobicContact CE1-CG 3.57Å; F477-F481 HydrophobicContact CE2-CB 4.32Å; F477-F481 AromaticContact CE2-CD2 3.93Å; F477-F481 HydrophobicContact CE2-CD2 3.93Å; F477-F481 HydrophobicContact CG-CB 4.13Å; F477-F481 HydrophobicContact CZ-CB 3.96Å; F477-F481 AromaticContact CZ-CD2 3.17Å; F477-F481 HydrophobicContact CZ-CD2 3.17Å; F477-F481 AromaticContact CZ-CE2 3.81Å; F477-F481 HydrophobicContact CZ-CE2 3.81Å; F477-F481 AromaticContact CZ-CG 3.8Å; F477-F481 HydrophobicContact CZ-CG 3.8Å; F477-F481 VanDerWaalsContact O-CA 3.24Å; F477-F481 WeakPolarHBondContact O-CA 3.27Å; F477-F481 WeakPolarHBondContact O-CB 3.29Å; F477-F481 PolarHBondContact O-N 3.05Å; F481-M485 HydrophobicContact CE1-CE 4.28Å; F481-M485 PolarHBondContact O-N 2.9Å; F481-M485 VanDerWaalsContact O-N 3.13Å |
| 482 | M | 33.9 | Very low | 33.9 | Very low | 79 Ų | 79 | 108.4 Ų | 108.4 | 39% | 0.389 | 56% | 0.564 | S | S | . | * | H | α-helix | trans | -72.3 | -38.3 | 159.1 | -75.9 | -98.1 | 159.3 | 0 | 0 | 112 | M478 M485 L486 I1071 | M478-M482 WeakPolarHBondContact O-CB 3.42Å; M478-M482 PolarHBondContact O-N 2.87Å; M482-M485 CarbonylContact O-C 3.58Å; M482-M485 PolarHBondContact O-N 3.41Å; M482-L486 WeakPolarHBondContact O-CB 3.47Å; M482-L486 WeakPolarHBondContact O-CG 3.39Å; M482-L486 PolarHBondContact O-N 3.11Å; M482-I1071 HydrophobicContact CE-CB 4.09Å; M482-I1071 HydrophobicContact CE-CD1 4.44Å; M482-I1071 HydrophobicContact CE-CG2 3.46Å; M482-I1071 VanDerWaalsContact CE-CG2 3.46Å; M482-I1071 HydrophobicContact SD-CG2 4.27Å |
| 483 | Q | 32.8 | Very low | 33.9 | Very low | 122 Ų | 122 | 113.2 Ų | 113.2 | 57% | 0.57 | 58% | 0.576 | S | S | * | * | H | α-helix | trans | -74.5 | -25.6 | 170.4 | -75.6 | 174.6 | -46.8 | 0 | 0 | 112.3 | N479 M485 L486 M487 | N479-Q483 VanDerWaalsContact O-CA 3.25Å; N479-Q483 WeakPolarHBondContact O-CA 3.5Å; N479-Q483 WeakPolarHBondContact O-CB 3.26Å; N479-Q483 WeakPolarHBondContact O-CG 3.28Å; N479-Q483 PolarHBondContact O-N 3.42Å; N479-Q483 PolarHBondContact O-OE1 2.96Å; Q483-M485 PolarHBondContact O-N 2.9Å; Q483-L486 CarbonylContact O-C 3.52Å; Q483-L486 PolarHBondContact O-N 3.35Å; Q483-M487 WeakPolarHBondContact O-CA 3Å; Q483-M487 WeakPolarHBondContact O-CB 3.11Å; Q483-M487 WeakPolarHBondContact O-CG 3.39Å; Q483-M487 PolarHBondContact O-N 3.49Å |
| 484 | N | 35.4 | Very low | 34.1 | Very low | 115 Ų | 115 | 111.4 Ų | 111.4 | 62% | 0.615 | 56% | 0.56 | S | S | * | * | H | α-helix | trans | -76.3 | -14 | 169.9 | -72 | -3.7 | 0 | 0 | 0 | 112.2 | G480 | G480-N484 WeakPolarHBondContact O-CA 3.41Å; G480-N484 WeakPolarHBondContact O-CB 3.01Å; G480-N484 PolarHBondContact O-N 3.42Å; G480-N484 PolarHBondContact O-ND2 3.47Å; G480-N484 PolarHBondContact O-OD1 3.29Å; G480-N484 VanDerWaalsContact O-OD1 3.05Å |
| 485 | M | 30.7 | Very low | 34.3 | Very low | 97 Ų | 97 | 112.8 Ų | 112.8 | 48% | 0.478 | 56% | 0.563 | S | S | . | * | H | α-helix | trans | -95.3 | -21.4 | 166.7 | -82.9 | -141.3 | -128 | 0 | 0 | 114.2 | F481 M482 Q483 Y1072 | F481-M485 HydrophobicContact CE1-CE 4.28Å; F481-M485 PolarHBondContact O-N 2.9Å; F481-M485 VanDerWaalsContact O-N 3.13Å; M482-M485 CarbonylContact O-C 3.58Å; M482-M485 PolarHBondContact O-N 3.41Å; Q483-M485 PolarHBondContact O-N 2.9Å; M485-Y1072 HydrophobicContact SD-CD2 3.95Å; M485-Y1072 HydrophobicContact SD-CE2 4.18Å |
| 486 | L | 33.7 | Very low | 34.6 | Very low | 137 Ų | 137 | 104 Ų | 104 | 72% | 0.717 | 54% | 0.535 | S | S | * | . | H | α-helix | trans | -104.8 | -3.9 | 176.8 | -70.9 | 169.5 | 0 | 0 | 0 | 113.4 | M482 Q483 E488 | M482-L486 WeakPolarHBondContact O-CB 3.47Å; M482-L486 WeakPolarHBondContact O-CG 3.39Å; M482-L486 PolarHBondContact O-N 3.11Å; Q483-L486 CarbonylContact O-C 3.52Å; Q483-L486 PolarHBondContact O-N 3.35Å; L486-E488 PolarHBondContact O-N 2.8Å; L486-E488 VanDerWaalsContact O-N 3.15Å |
| 487 | M | 27 | Very low | 35 | Very low | 92 Ų | 92 | 101.7 Ų | 101.7 | 45% | 0.453 | 52% | 0.515 | S | S | . | . | S | Bend | trans | -59.5 | 118.3 | 153.6 | -86.4 | 179.3 | 86.9 | 0 | 0 | 102.8 | Q483 E490 | Q483-M487 WeakPolarHBondContact O-CA 3Å; Q483-M487 WeakPolarHBondContact O-CB 3.11Å; Q483-M487 WeakPolarHBondContact O-CG 3.39Å; Q483-M487 PolarHBondContact O-N 3.49Å; M487-E490 HydrophobicContact CE-CG 4.13Å |
| 488 | E | 30.8 | Very low | 35.4 | Very low | 173 Ų | 173 | 98.6 Ų | 98.6 | 81% | 0.808 | 50% | 0.504 | S | S | * | . | trans | -31.6 | 117.9 | 150.1 | -73.2 | 175.2 | 162.2 | 0 | 0 | 105.3 | L486 E490 | L486-E488 PolarHBondContact O-N 2.8Å; L486-E488 VanDerWaalsContact O-N 3.15Å; E488-E490 PolarHBondContact O-N 3.17Å | ||
| 489 | P | 30 | Very low | 35.8 | Very low | 103 Ų | 103 | 96.4 Ų | 96.4 | 67% | 0.669 | 50% | 0.503 | S | S | * | . | trans | -43.1 | 121.6 | -174.4 | 15.7 | -29.8 | 0 | 0 | 0 | 105.8 | P491 | P489-P491 VanDerWaalsContact O-CA 3.32Å; P489-P491 WeakPolarHBondContact O-CA 3.36Å | ||
| 490 | E | 30.5 | Very low | 36 | Very low | 152 Ų | 152 | 94.5 Ų | 94.5 | 71% | 0.71 | 50% | 0.498 | S | S | * | . | trans | -40.8 | 116.3 | 176.5 | -82.5 | -169 | 161.6 | 0 | 0 | 104.7 | M487 E488 V492 | M487-E490 HydrophobicContact CE-CG 4.13Å; E488-E490 PolarHBondContact O-N 3.17Å; E490-V492 VanDerWaalsContact O-CA 3.3Å; E490-V492 WeakPolarHBondContact O-CA 3.38Å; E490-V492 PolarHBondContact O-N 3.13Å | ||
| 491 | P | 30.3 | Very low | 36.5 | Very low | 109 Ų | 109 | 98.7 Ų | 98.7 | 71% | 0.708 | 51% | 0.512 | S | S | * | . | trans | -48.4 | 112.9 | -159.5 | 16 | -31.3 | 0 | 0 | 0 | 105.4 | P489 R493 | P489-P491 VanDerWaalsContact O-CA 3.32Å; P489-P491 WeakPolarHBondContact O-CA 3.36Å; P491-R493 VanDerWaalsContact C-N 3.26Å; P491-R493 WeakPolarHBondContact O-CA 3.28Å; P491-R493 PolarHBondContact O-N 3.44Å | ||
| 492 | V | 36.5 | Very low | 37.3 | Very low | 99 Ų | 99 | 95.8 Ų | 95.8 | 60% | 0.6 | 50% | 0.499 | S | S | * | . | trans | -42.1 | 102.7 | -161.4 | 173.3 | 0 | 0 | 0 | 0 | 105.5 | E490 I494 | E490-V492 VanDerWaalsContact O-CA 3.3Å; E490-V492 WeakPolarHBondContact O-CA 3.38Å; E490-V492 PolarHBondContact O-N 3.13Å; V492-I494 HydrophobicContact CB-CG1 4.47Å; V492-I494 HydrophobicContact CG1-CG1 3.79Å; V492-I494 PolarHBondContact O-N 2.94Å | ||
| 493 | R | 34.9 | Very low | 38.3 | Very low | 209 Ų | 209 | 101.3 Ų | 101.3 | 79% | 0.789 | 52% | 0.524 | S | S | * | . | trans | -75.4 | 94.3 | -179 | -146.1 | -174.5 | -149.1 | -166.9 | 7.7 | 100.7 | P491 D495 | P491-R493 VanDerWaalsContact C-N 3.26Å; P491-R493 WeakPolarHBondContact O-CA 3.28Å; P491-R493 PolarHBondContact O-N 3.44Å; R493-D495 WeakPolarHBondContact CD-OD1 3.47Å; R493-D495 WeakPolarHBondContact CG-OD1 3.5Å; R493-D495 PolarHBondContact O-N 2.8Å | ||
| 494 | I | 41.9 | Very low | 39.8 | Very low | 58 Ų | 58 | 101 Ų | 101 | 30% | 0.297 | 53% | 0.526 | S | S | . | . | trans | -67.8 | 78.2 | 173.8 | -59.3 | -174.3 | 0 | 0 | 0 | 104.1 | V492 T496 H862 | V492-I494 HydrophobicContact CB-CG1 4.47Å; V492-I494 HydrophobicContact CG1-CG1 3.79Å; V492-I494 PolarHBondContact O-N 2.94Å; I494-T496 WeakPolarHBondContact CG2-O 3.29Å; I494-T496 PolarHBondContact O-N 3.38Å; I494-H862 HydrophobicContact CD1-CB 3.91Å | ||
| 495 | D | 43.3 | Very low | 41.6 | Very low | 85 Ų | 85 | 97.6 Ų | 97.6 | 46% | 0.455 | 51% | 0.51 | S | S | . | . | trans | -68.2 | -18.2 | 174.7 | -75.5 | -20.6 | 0 | 0 | 0 | 108.9 | R493 Y818 N820 | R493-D495 WeakPolarHBondContact CD-OD1 3.47Å; R493-D495 WeakPolarHBondContact CG-OD1 3.5Å; R493-D495 PolarHBondContact O-N 2.8Å; D495-Y818 PolarHBondContact O-OH 3.22Å; D495-N820 WeakPolarHBondContact O-CB 3.25Å; D495-N820 PolarHBondContact O-ND2 3.42Å | ||
| 496 | T | 44.2 | Very low | 44 | Very low | 43 Ų | 43 | 97.9 Ų | 97.9 | 26% | 0.264 | 51% | 0.509 | S | S | . | . | trans | -126.1 | 125.7 | -177.8 | 64 | 0 | 0 | 0 | 0 | 113.4 | I494 I498 Y818 D824 | I494-T496 WeakPolarHBondContact CG2-O 3.29Å; I494-T496 PolarHBondContact O-N 3.38Å; T496-I498 VanDerWaalsContact C-N 3.33Å; T496-I498 PolarHBondContact OG1-O 3.18Å; T496-Y818 VanDerWaalsContact CA-OH 3.23Å; T496-Y818 WeakPolarHBondContact CA-OH 3.46Å; T496-D824 VanDerWaalsContact CA-OD2 3.23Å; T496-D824 WeakPolarHBondContact CA-OD2 3.02Å; T496-D824 VanDerWaalsContact CB-OD2 3.23Å; T496-D824 WeakPolarHBondContact CB-OD2 3.31Å; T496-D824 WeakPolarHBondContact CG2-OD1 3.41Å | ||
| 497 | M | 45.4 | Very low | 46.6 | Very low | 30 Ų | 30 | 92.6 Ų | 92.6 | 15% | 0.148 | 48% | 0.48 | C | S | . | . | S | Bend | trans | -75.3 | -22.6 | 177.5 | -79.9 | -166.5 | 162.4 | 0 | 0 | 113.5 | A499 Y818 D824 L859 F863 P871 | M497-A499 PolarHBondContact O-N 3.26Å; M497-Y818 HydrophobicContact CB-CD1 4.19Å; M497-Y818 HydrophobicContact CB-CE1 3.59Å; M497-Y818 HydrophobicContact CB-CE2 4.44Å; M497-Y818 HydrophobicContact CE-CD1 4.03Å; M497-Y818 HydrophobicContact CE-CD2 3.84Å; M497-Y818 HydrophobicContact CE-CG 3.58Å; M497-Y818 HydrophobicContact CG-CD1 3.55Å; M497-Y818 HydrophobicContact CG-CD2 3.82Å; M497-Y818 HydrophobicContact CG-CE1 3.35Å; M497-Y818 HydrophobicContact CG-CE2 3.69Å; M497-Y818 HydrophobicContact CG-CG 3.79Å; M497-Y818 VanDerWaalsContact CG-CZ 3.47Å; M497-Y818 PolarHBondContact N-OH 3.06Å; M497-Y818 HydrophobicContact SD-CD1 3.19Å; M497-Y818 WeakPolarHBondContact SD-CD1 3.47Å; M497-Y818 HydrophobicContact SD-CD2 4.02Å; M497-Y818 HydrophobicContact SD-CE1 3.66Å; M497-Y818 HydrophobicContact SD-CE2 4.44Å; M497-Y818 HydrophobicContact SD-CG 3.43Å; M497-D824 PolarHBondContact N-OD2 3.32Å; M497-L859 HydrophobicContact CB-CD1 4.24Å; M497-L859 HydrophobicContact CB-CD2 4.25Å; M497-L859 HydrophobicContact CE-CD1 3.66Å; M497-L859 HydrophobicContact CE-CD2 3.88Å; M497-L859 HydrophobicContact CE-CG 4.15Å; M497-L859 HydrophobicContact CG-CD1 3.6Å; M497-L859 HydrophobicContact CG-CD2 3.94Å; M497-L859 HydrophobicContact CG-CG 4.41Å; M497-L859 HydrophobicContact SD-CD1 4.15Å; M497-L859 HydrophobicContact SD-CD2 3.67Å; M497-L859 HydrophobicContact SD-CG 4.48Å; M497-F863 HydrophobicContact CE-CD1 4.47Å; M497-F863 HydrophobicContact CE-CD2 4.12Å; M497-F863 HydrophobicContact CE-CE1 3.74Å; M497-F863 HydrophobicContact CE-CE2 3.33Å; M497-F863 HydrophobicContact CE-CZ 3.11Å; M497-P871 HydrophobicContact CE-CG 3.12Å; M497-P871 HydrophobicContact SD-CG 3.72Å |
| 498 | I | 46.6 | Very low | 49.7 | Very low | 41 Ų | 41 | 88.3 Ų | 88.3 | 21% | 0.21 | 46% | 0.459 | C | S | . | . | S | Bend | trans | -71.3 | 115.6 | 167.6 | -57.8 | 171.6 | 0 | 0 | 0 | 104.9 | T496 S500 K501 D824 | T496-I498 VanDerWaalsContact C-N 3.33Å; T496-I498 PolarHBondContact OG1-O 3.18Å; I498-S500 VanDerWaalsContact C-N 3.29Å; I498-S500 PolarHBondContact O-N 3.18Å; I498-K501 HydrophobicContact CB-CG 4.44Å; I498-K501 HydrophobicContact CD1-CD 3.86Å; I498-K501 HydrophobicContact CD1-CG 4.43Å; I498-K501 HydrophobicContact CG2-CG 4.09Å; I498-K501 PolarHBondContact O-N 3.25Å; I498-D824 HydrophobicContact CD1-CB 3.76Å; I498-D824 WeakPolarHBondContact CD1-O 3.44Å; I498-D824 HydrophobicContact CG1-CB 4.16Å; I498-D824 PolarHBondContact N-OD2 3.3Å |
| 499 | A | 41 | Very low | 52.8 | Low | 63 Ų | 63 | 80 Ų | 80 | 52% | 0.521 | 42% | 0.421 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -40.6 | 101.5 | 171.6 | 0 | 0 | 0 | 0 | 0 | 107.9 | M497 K501 | M497-A499 PolarHBondContact O-N 3.26Å; A499-K501 PolarHBondContact O-N 2.81Å |
| 500 | S | 40.2 | Very low | 55.9 | Low | 70 Ų | 70 | 75.1 Ų | 75.1 | 49% | 0.49 | 39% | 0.389 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 42.7 | 74.7 | 176.2 | 76 | 0 | 0 | 0 | 0 | 113.8 | I498 E502 | I498-S500 VanDerWaalsContact C-N 3.29Å; I498-S500 PolarHBondContact O-N 3.18Å; S500-E502 WeakPolarHBondContact CB-OE1 3.4Å; S500-E502 PolarHBondContact O-N 2.89Å; S500-E502 PolarHBondContact OG-OE1 3.39Å |
| 501 | K | 42.6 | Very low | 59 | Low | 105 Ų | 105 | 67.9 Ų | 67.9 | 46% | 0.457 | 36% | 0.355 | S | S | . | . | trans | -66.7 | 62.8 | 149.8 | -103.8 | -173.1 | -174.9 | 173.7 | 0 | 107.9 | I498 A499 E503 D824 D831 | I498-K501 HydrophobicContact CB-CG 4.44Å; I498-K501 HydrophobicContact CD1-CD 3.86Å; I498-K501 HydrophobicContact CD1-CG 4.43Å; I498-K501 HydrophobicContact CG2-CG 4.09Å; I498-K501 PolarHBondContact O-N 3.25Å; A499-K501 PolarHBondContact O-N 2.81Å; K501-E503 PolarHBondContact O-N 3.46Å; K501-D824 PolarHBondContact NZ-O 3.21Å; K501-D831 IonicContact NZ-OD2 2.67Å | ||
| 502 | E | 51.3 | Low | 62.2 | Low | 30 Ų | 30 | 62.7 Ų | 62.7 | 14% | 0.14 | 32% | 0.321 | C | S | . | . | trans | -48.2 | 128.7 | 168.5 | -66.3 | 158.8 | -165.2 | 0 | 0 | 105.2 | S500 L504 V576 K578 A579 | S500-E502 WeakPolarHBondContact CB-OE1 3.4Å; S500-E502 PolarHBondContact O-N 2.89Å; S500-E502 PolarHBondContact OG-OE1 3.39Å; E502-L504 VanDerWaalsContact C-N 3.26Å; E502-L504 PolarHBondContact O-N 2.85Å; E502-V576 HydrophobicContact CB-CG1 4.47Å; E502-V576 WeakPolarHBondContact OE2-CG1 3.46Å; E502-K578 WeakPolarHBondContact OE1-CA 3.38Å; E502-K578 PolarHBondContact OE1-N 2.77Å; E502-K578 PolarHBondContact OE2-N 3.22Å; E502-A579 HydrophobicContact CG-CB 4.16Å; E502-A579 PolarHBondContact OE1-N 2.64Å; E502-A579 WeakPolarHBondContact OE2-CA 3.38Å; E502-A579 PolarHBondContact OE2-N 3.2Å | ||
| 503 | E | 55.1 | Low | 65.1 | Low | 195 Ų | 195 | 58.8 Ų | 58.8 | 91% | 0.911 | 30% | 0.296 | S | S | * | . | trans | -54.7 | 99.2 | 175.2 | -77.1 | -170.1 | 156.2 | 0 | 0 | 108 | K501 | K501-E503 PolarHBondContact O-N 3.46Š| ||
| 504 | L | 64.4 | Low | 68.1 | Low | 114 Ų | 114 | 48.9 Ų | 48.9 | 60% | 0.597 | 26% | 0.259 | S | S | * | . | P | Polyproline II helix | trans | -63 | 131 | -173.6 | -73.1 | 171.3 | 0 | 0 | 0 | 107 | E502 K506 V576 | E502-L504 VanDerWaalsContact C-N 3.26Å; E502-L504 PolarHBondContact O-N 2.85Å; L504-K506 PolarHBondContact O-N 2.64Å; L504-V576 HydrophobicContact CD2-CB 4.14Å; L504-V576 HydrophobicContact CD2-CG2 3.7Å |
| 505 | P | 73.8 | Confident | 70.8 | Confident | 45 Ų | 45 | 46.1 Ų | 46.1 | 29% | 0.292 | 25% | 0.245 | S | C | . | . | P | Polyproline II helix | trans | -60.4 | 133.1 | 176.7 | 25.5 | -31.4 | 0 | 0 | 0 | 108.1 | V451 M507 V576 L581 | V451-P505 HydrophobicContact CG1-CB 4.02Å; V451-P505 HydrophobicContact CG1-CG 4.08Å; P505-M507 HydrophobicContact CG-CE 3.93Å; P505-M507 PolarHBondContact O-N 3.34Å; P505-V576 HydrophobicContact CG-CG2 3.81Å; P505-L581 HydrophobicContact CG-CD1 4.08Å |
| 506 | K | 80.1 | Confident | 73.2 | Confident | 103 Ų | 103 | 42.3 Ų | 42.3 | 45% | 0.448 | 22% | 0.224 | S | C | . | . | P | Polyproline II helix | trans | -62.3 | 125.9 | 173.7 | -67.6 | -168.9 | -177.4 | -171 | 0 | 109 | D153 L504 Y508 | D153-K506 VanDerWaalsContact OD1-CD 3.32Å; D153-K506 WeakPolarHBondContact OD1-CD 3.42Å; D153-K506 WeakPolarHBondContact OD1-CE 3.49Å; D153-K506 IonicContact OD1-NZ 2.71Å; D153-K506 PolarHBondContact OD1-NZ 2.98Å; L504-K506 PolarHBondContact O-N 2.64Å; K506-Y508 HydrophobicContact CB-CE2 3.91Å; K506-Y508 VanDerWaalsContact O-CD2 3.28Å; K506-Y508 WeakPolarHBondContact O-CD2 3.42Å; K506-Y508 VanDerWaalsContact O-CE2 3.26Å; K506-Y508 WeakPolarHBondContact O-CE2 3.36Å |
| 507 | M | 89.5 | Confident | 75.6 | Confident | 25 Ų | 25 | 41.3 Ų | 41.3 | 12% | 0.123 | 22% | 0.217 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -95.3 | 145.1 | -178.3 | -62.6 | -59.8 | -170.6 | 0 | 0 | 111.2 | V449 V451 P505 L540 P575 L581 Y585 | V449-M507 HydrophobicContact CG2-CB 3.79Å; V449-M507 HydrophobicContact CG2-CG 3.98Å; V449-M507 HydrophobicContact CG2-SD 3.92Å; V451-M507 HydrophobicContact CG1-CE 3.86Å; V451-M507 HydrophobicContact CG1-SD 3.5Å; V451-M507 VanDerWaalsContact CG1-SD 3.5Å; P505-M507 HydrophobicContact CG-CE 3.93Å; P505-M507 PolarHBondContact O-N 3.34Å; M507-L540 HydrophobicContact CB-CD1 3.8Å; M507-L540 PolarHBondContact O-N 2.91Å; M507-P575 HydrophobicContact CE-CB 3.3Å; M507-P575 HydrophobicContact CE-CG 3.39Å; M507-L581 HydrophobicContact CE-CD1 4.03Å; M507-Y585 HydrophobicContact CE-CD2 3.96Å; M507-Y585 HydrophobicContact CE-CE2 4.25Å; M507-Y585 HydrophobicContact SD-CD2 4.42Å; M507-Y585 HydrophobicContact SD-CE2 4.18Å |
| 508 | Y | 92.3 | Very high | 77.8 | Confident | 2 Ų | 2 | 41.9 Ų | 41.9 | 1% | 0.008 | 22% | 0.219 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.4 | 147.5 | -174.8 | -65.6 | -90.6 | 0 | 0 | 0 | 110.9 | D153 K202 T450 R452 K506 D537 I538 P539 | D153-Y508 PolarHBondContact OD2-OH 2.94Å; K202-Y508 HydrophobicContact CD-CE1 4.1Å; K202-Y508 PolarHBondContact NZ-OH 3Å; K202-Y508 VanDerWaalsContact NZ-OH 3.16Å; T450-Y508 PolarHBondContact N-O 3.18Å; T450-Y508 PolarHBondContact O-N 3.02Å; T450-Y508 PolarHBondContact OG1-O 2.96Å; T450-Y508 VanDerWaalsContact OG1-O 3.05Å; R452-Y508 HydrophobicContact CB-CE2 4.24Å; K506-Y508 HydrophobicContact CB-CE2 3.91Å; K506-Y508 VanDerWaalsContact O-CD2 3.28Å; K506-Y508 WeakPolarHBondContact O-CD2 3.42Å; K506-Y508 VanDerWaalsContact O-CE2 3.26Å; K506-Y508 WeakPolarHBondContact O-CE2 3.36Å; Y508-D537 HydrophobicContact CD1-CB 3.98Å; Y508-I538 WeakPolarHBondContact CA-O 3.45Å; Y508-P539 HydrophobicContact CD1-CB 4.34Å; Y508-P539 HydrophobicContact CD1-CG 4.29Å; Y508-P539 HydrophobicContact CE1-CB 4.04Å; Y508-P539 HydrophobicContact CE1-CG 3.8Å |
| 509 | T | 94.6 | Very high | 79.9 | Confident | 0 Ų | 0 | 41 Ų | 41 | 0% | 0 | 22% | 0.216 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.5 | 150.4 | 155.1 | -179.5 | 0 | 0 | 0 | 0 | 108.1 | W446 T447 I538 L540 F543 F657 | W446-T509 HydrophobicContact CE3-CG2 4.29Å; W446-T509 HydrophobicContact CZ3-CG2 4.21Å; T447-T509 PolarHBondContact O-OG1 3.35Å; T509-I538 HydrophobicContact CG2-CB 4.16Å; T509-I538 PolarHBondContact N-O 3.3Å; T509-I538 PolarHBondContact O-N 2.98Å; T509-L540 HydrophobicContact CG2-CD2 3.96Å; T509-F543 HydrophobicContact CG2-CE2 4.21Å; T509-F543 HydrophobicContact CG2-CZ 4.06Å; T509-F657 HydrophobicContact CG2-CE2 4.48Å |
| 510 | S | 95 | Very high | 82.1 | Confident | 0 Ų | 0 | 44.6 Ų | 44.6 | 0% | 0 | 23% | 0.226 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.2 | 135.3 | 179.5 | -51.8 | 0 | 0 | 0 | 0 | 109.6 | Y205 W446 T447 Q453 V536 D537 | Y205-S510 WeakPolarHBondContact OH-CB 3.22Å; Y205-S510 PolarHBondContact OH-OG 3.35Å; W446-S510 WeakPolarHBondContact CA-O 3.41Å; T447-S510 PolarHBondContact N-O 3.35Å; T447-S510 PolarHBondContact OG1-N 3.18Å; Q453-S510 PolarHBondContact NE2-OG 3.18Å; S510-V536 WeakPolarHBondContact CA-O 3.31Å; S510-D537 WeakPolarHBondContact CB-OD1 2.95Å; S510-D537 PolarHBondContact OG-OD1 3.45Å |
| 511 | V | 96.8 | Very high | 84.4 | Confident | 0 Ų | 0 | 47.7 Ų | 47.7 | 0% | 0 | 23% | 0.231 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -100.4 | 132.8 | 167.1 | 58.4 | 0 | 0 | 0 | 0 | 109 | K93 V97 F444 T445 W446 G535 V536 I538 | K93-V511 HydrophobicContact CB-CG1 4.12Å; V97-V511 HydrophobicContact CG2-CG1 3.91Å; F444-V511 HydrophobicContact CB-CG2 4.32Å; F444-V511 HydrophobicContact CD1-CG2 4.01Å; T445-V511 CarbonylContact O-C 3.53Å; T445-V511 VanDerWaalsContact O-CA 3.29Å; T445-V511 WeakPolarHBondContact O-CA 3.16Å; W446-V511 HydrophobicContact CD2-CB 3.9Å; W446-V511 HydrophobicContact CD2-CG2 4.15Å; W446-V511 HydrophobicContact CE3-CB 3.99Å; W446-V511 HydrophobicContact CH2-CB 3.78Å; W446-V511 HydrophobicContact CH2-CG1 4.03Å; W446-V511 HydrophobicContact CH2-CG2 4.32Å; W446-V511 HydrophobicContact CZ2-CB 3.64Å; W446-V511 HydrophobicContact CZ2-CG1 4.16Å; W446-V511 HydrophobicContact CZ2-CG2 3.66Å; W446-V511 HydrophobicContact CZ3-CB 3.97Å; W446-V511 HydrophobicContact CZ3-CG1 4.43Å; V511-G535 VanDerWaalsContact O-CA 3.22Å; V511-G535 WeakPolarHBondContact O-CA 3.23Å; V511-V536 HydrophobicContact CG1-CG2 3.42Å; V511-V536 VanDerWaalsContact CG1-CG2 3.42Å; V511-V536 PolarHBondContact N-O 3.1Å; V511-V536 PolarHBondContact O-N 2.8Å; V511-V536 VanDerWaalsContact O-N 3.07Å; V511-I538 HydrophobicContact CB-CD1 4.48Å; V511-I538 HydrophobicContact CG1-CD1 3.84Å |
| 512 | A | 97.3 | Very high | 86.5 | Confident | 0 Ų | 0 | 42.8 Ų | 42.8 | 0% | 0 | 21% | 0.21 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -141.5 | 158.9 | -175.3 | 0 | 0 | 0 | 0 | 0 | 113 | W240 A244 T445 V533 A534 | W240-A512 HydrophobicContact CB-CB 3.97Å; W240-A512 HydrophobicContact CE3-CB 4.05Å; A244-A512 HydrophobicContact CB-CB 4.15Å; T445-A512 HydrophobicContact CG2-CB 3.87Å; T445-A512 PolarHBondContact N-O 3.33Å; T445-A512 PolarHBondContact O-N 3.17Å; A512-V533 HydrophobicContact CB-CG1 3.81Å; A512-A534 CarbonylContact C-O 3.45Å; A512-A534 WeakPolarHBondContact CA-O 3.42Å; A512-A534 WeakPolarHBondContact CB-O 3.47Å |
| 513 | K | 97.5 | Very high | 88.2 | Confident | 17 Ų | 17 | 47.3 Ų | 47.3 | 7% | 0.074 | 23% | 0.229 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -151.5 | 137.1 | -178.9 | -164.9 | 160.7 | -168.4 | 176.3 | 0 | 111.7 | V97 E98 K101 A442 F444 A534 | V97-K513 HydrophobicContact CG1-CB 3.62Å; E98-K513 VanDerWaalsContact OE2-CD 3.27Å; E98-K513 WeakPolarHBondContact OE2-CD 3.15Å; E98-K513 VanDerWaalsContact OE2-CE 3.31Å; E98-K513 WeakPolarHBondContact OE2-CE 3.48Å; E98-K513 IonicContact OE2-NZ 2.96Å; E98-K513 PolarHBondContact OE2-NZ 3.05Å; K101-K513 HydrophobicContact CD-CD 4.05Å; K101-K513 HydrophobicContact CD-CG 4.2Å; A442-K513 HydrophobicContact CB-CG 4.02Å; A442-K513 WeakPolarHBondContact O-CE 3.26Å; F444-K513 HydrophobicContact CD1-CB 4.36Å; F444-K513 HydrophobicContact CD1-CD 3.84Å; F444-K513 HydrophobicContact CE1-CD 3.61Å; F444-K513 HydrophobicContact CE2-CD 4.47Å; F444-K513 HydrophobicContact CG-CD 4.35Å; F444-K513 HydrophobicContact CZ-CD 3.97Å; K513-A534 PolarHBondContact N-O 3.28Å; K513-A534 PolarHBondContact O-N 3.22Å |
| 514 | A | 97.5 | Very high | 89.6 | Confident | 1 Ų | 1 | 47.3 Ų | 47.3 | 1% | 0.008 | 22% | 0.22 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -68.9 | 148.5 | 178.8 | 0 | 0 | 0 | 0 | 0 | 112.8 | A244 F516 L530 | A244-A514 WeakPolarHBondContact O-CB 3.39Å; A514-F516 HydrophobicContact CB-CE1 3.81Å; A514-F516 HydrophobicContact CB-CE2 4.22Å; A514-F516 HydrophobicContact CB-CZ 3.59Å; A514-L530 HydrophobicContact CB-CD1 3.97Å |
| 515 | V | 97.4 | Very high | 90.8 | Very high | 0 Ų | 0 | 45.4 Ų | 45.4 | 0% | 0 | 21% | 0.21 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.2 | 124 | 178.8 | -176.7 | 0 | 0 | 0 | 0 | 108.4 | K101 A104 E105 F206 L531 G532 A534 | K101-V515 HydrophobicContact CB-CG2 4.25Å; K101-V515 HydrophobicContact CG-CG2 4.07Å; A104-V515 HydrophobicContact CB-CG1 3.6Å; A104-V515 HydrophobicContact CB-CG2 4.32Å; E105-V515 HydrophobicContact CG-CG1 3.7Å; F206-V515 HydrophobicContact CD2-CG2 4.15Å; F206-V515 HydrophobicContact CE2-CB 3.99Å; F206-V515 HydrophobicContact CE2-CG1 4.26Å; F206-V515 HydrophobicContact CE2-CG2 3.77Å; V515-L531 HydrophobicContact CB-CB 4.45Å; V515-L531 HydrophobicContact CG1-CB 4.17Å; V515-L531 HydrophobicContact CG1-CD1 4.17Å; V515-L531 WeakPolarHBondContact O-CB 3.32Å; V515-L531 PolarHBondContact O-N 2.87Å; V515-G532 PolarHBondContact N-O 3.4Å; V515-G532 PolarHBondContact O-N 3.16Å; V515-A534 HydrophobicContact CG2-CB 4.22Å |
| 516 | F | 95.5 | Very high | 91.3 | Very high | 4 Ų | 4 | 51.1 Ų | 51.1 | 2% | 0.018 | 23% | 0.231 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.8 | 156.2 | -173 | -59.7 | -53 | 0 | 0 | 0 | 113.7 | E105 N436 A437 A442 A514 K518 N529 L530 L531 | E105-F516 PolarHBondContact OE1-N 3.02Å; N436-F516 HydrophobicContact CB-CZ 3.88Å; A437-F516 HydrophobicContact CB-CB 4.24Å; A437-F516 HydrophobicContact CB-CD1 3.45Å; A437-F516 VanDerWaalsContact CB-CD1 3.45Å; A437-F516 HydrophobicContact CB-CD2 4.31Å; A437-F516 HydrophobicContact CB-CE1 3.76Å; A437-F516 HydrophobicContact CB-CG 3.76Å; A437-F516 HydrophobicContact CB-CZ 4.31Å; A442-F516 HydrophobicContact CB-CD2 4.36Å; A442-F516 HydrophobicContact CB-CE2 3.77Å; A514-F516 HydrophobicContact CB-CE1 3.81Å; A514-F516 HydrophobicContact CB-CE2 4.22Å; A514-F516 HydrophobicContact CB-CZ 3.59Å; F516-K518 PolarHBondContact O-N 2.93Å; F516-K518 VanDerWaalsContact O-N 3.16Å; F516-N529 WeakPolarHBondContact CA-O 3.41Å; F516-L530 HydrophobicContact CD1-CD1 4.04Å; F516-L530 HydrophobicContact CE1-CD1 3.77Å; F516-L531 WeakPolarHBondContact O-CD1 3.12Å |
| 517 | D | 94.2 | Very high | 91.5 | Very high | 22 Ų | 22 | 50 Ų | 50 | 12% | 0.118 | 23% | 0.227 | C | C | . | . | trans | -71.7 | 104.9 | 172.9 | -175.8 | -11 | 0 | 0 | 0 | 110.9 | F108 T519 A522 N529 L531 | F108-D517 HydrophobicContact CE1-CB 4Å; F108-D517 WeakPolarHBondContact CE1-OD1 3.36Å; F108-D517 WeakPolarHBondContact CE1-OD2 3.44Å; D517-T519 VanDerWaalsContact OD1-CB 3.22Å; D517-T519 WeakPolarHBondContact OD1-CB 3.25Å; D517-T519 WeakPolarHBondContact OD1-CG2 2.98Å; D517-T519 PolarHBondContact OD1-N 3.13Å; D517-T519 PolarHBondContact OD1-OG1 3.39Å; D517-A522 HydrophobicContact CB-CB 4.15Å; D517-A522 VanDerWaalsContact CG-CB 3.46Å; D517-N529 HydrophobicContact CB-CB 3.81Å; D517-N529 PolarHBondContact N-O 3.28Å; D517-L531 HydrophobicContact CB-CD2 4.03Å; D517-L531 HydrophobicContact CB-CG 4.33Å | ||
| 518 | K | 90.7 | Very high | 91.3 | Very high | 42 Ų | 42 | 49 Ų | 49 | 18% | 0.183 | 22% | 0.223 | C | C | . | . | trans | -97.4 | 14.5 | 178.1 | -66.8 | -169.7 | 175.2 | 175.6 | 0 | 114.3 | E105 V109 D440 F516 K523 | E105-K518 HydrophobicContact CB-CD 4.39Å; E105-K518 HydrophobicContact CG-CD 4.4Å; E105-K518 VanDerWaalsContact OE1-CE 3.24Å; E105-K518 WeakPolarHBondContact OE1-CE 3.02Å; E105-K518 IonicContact OE1-NZ 2.89Å; E105-K518 PolarHBondContact OE1-NZ 3.23Å; E105-K518 VanDerWaalsContact OE2-CD 3.31Å; E105-K518 WeakPolarHBondContact OE2-CD 3.37Å; E105-K518 WeakPolarHBondContact OE2-CE 3.35Å; E105-K518 IonicContact OE2-NZ 2.78Å; E105-K518 PolarHBondContact OE2-NZ 3.42Å; V109-K518 HydrophobicContact CG2-CB 4.26Å; D440-K518 WeakPolarHBondContact OD1-CE 2.86Å; D440-K518 IonicContact OD1-NZ 3.36Å; D440-K518 PolarHBondContact OD1-NZ 3.27Å; D440-K518 IonicContact OD2-NZ 2.74Å; D440-K518 PolarHBondContact OD2-NZ 3.22Å; D440-K518 VanDerWaalsContact OD2-NZ 3.1Å; F516-K518 PolarHBondContact O-N 2.93Å; F516-K518 VanDerWaalsContact O-N 3.16Å; K518-K523 WeakPolarHBondContact O-CE 3.12Å | ||
| 519 | T | 91.1 | Very high | 91.2 | Very high | 24 Ų | 24 | 51.5 Ų | 51.5 | 15% | 0.147 | 24% | 0.236 | C | C | . | . | trans | -61.8 | 147.6 | 177.5 | 61.9 | 0 | 0 | 0 | 0 | 111.4 | F108 V109 D517 K521 A522 K523 | F108-T519 HydrophobicContact CD1-CG2 4.09Å; F108-T519 HydrophobicContact CE1-CG2 4.1Å; V109-T519 HydrophobicContact CG2-CG2 4.27Å; D517-T519 VanDerWaalsContact OD1-CB 3.22Å; D517-T519 WeakPolarHBondContact OD1-CB 3.25Å; D517-T519 WeakPolarHBondContact OD1-CG2 2.98Å; D517-T519 PolarHBondContact OD1-N 3.13Å; D517-T519 PolarHBondContact OD1-OG1 3.39Å; T519-K521 PolarHBondContact O-N 3.18Å; T519-A522 PolarHBondContact O-N 3.17Å; T519-A522 VanDerWaalsContact O-N 3.11Å; T519-A522 WeakPolarHBondContact OG1-CB 3.15Å; T519-A522 PolarHBondContact OG1-N 2.81Å; T519-K523 PolarHBondContact O-N 3.37Å | ||
| 520 | N | 87.6 | Confident | 91.2 | Very high | 138 Ų | 138 | 51.8 Ų | 51.8 | 74% | 0.738 | 24% | 0.238 | S | C | * | . | H | α-helix | trans | -58.2 | -31.8 | 176.7 | -72.3 | -21.8 | 0 | 0 | 0 | 111.9 | R524 | N520-R524 WeakPolarHBondContact O-CB 3.28Å; N520-R524 PolarHBondContact O-N 3.02Å |
| 521 | K | 88.2 | Confident | 91.3 | Very high | 135 Ų | 135 | 52.6 Ų | 52.6 | 59% | 0.587 | 24% | 0.242 | S | C | * | . | H | α-helix | trans | -62.9 | -53 | 174.5 | -177.5 | -178.7 | 174 | -174.3 | 0 | 111 | T519 K523 R524 L525 | T519-K521 PolarHBondContact O-N 3.18Å; K521-K523 PolarHBondContact O-N 3.33Å; K521-R524 PolarHBondContact O-N 3.44Å; K521-L525 HydrophobicContact CG-CD1 3.81Å; K521-L525 HydrophobicContact CG-CG 4.49Å; K521-L525 WeakPolarHBondContact O-CB 3.41Å; K521-L525 WeakPolarHBondContact O-CG 3.47Å; K521-L525 PolarHBondContact O-N 2.96Å |
| 522 | A | 87.5 | Confident | 91.2 | Very high | 1 Ų | 1 | 52.6 Ų | 52.6 | 1% | 0.008 | 24% | 0.242 | C | C | . | . | H | α-helix | trans | -59.2 | -45.9 | 179.8 | 0 | 0 | 0 | 0 | 0 | 111.8 | D517 T519 R524 L525 K526 E527 | D517-A522 HydrophobicContact CB-CB 4.15Å; D517-A522 VanDerWaalsContact CG-CB 3.46Å; T519-A522 PolarHBondContact O-N 3.17Å; T519-A522 VanDerWaalsContact O-N 3.11Å; T519-A522 WeakPolarHBondContact OG1-CB 3.15Å; T519-A522 PolarHBondContact OG1-N 2.81Å; A522-R524 PolarHBondContact O-N 3.23Å; A522-L525 PolarHBondContact O-N 3.08Å; A522-K526 WeakPolarHBondContact O-CA 3.14Å; A522-K526 PolarHBondContact O-N 3.44Å; A522-E527 HydrophobicContact CB-CB 4.41Å; A522-E527 PolarHBondContact O-N 3.43Å |
| 523 | K | 85.5 | Confident | 91.3 | Very high | 126 Ų | 126 | 52.6 Ų | 52.6 | 55% | 0.548 | 24% | 0.242 | S | C | . | . | H | α-helix | trans | -60.6 | -45.6 | 175.8 | -68.8 | -177.8 | 179 | -178.8 | 0 | 112.7 | K518 T519 K521 K526 | K518-K523 WeakPolarHBondContact O-CE 3.12Å; T519-K523 PolarHBondContact O-N 3.37Å; K521-K523 PolarHBondContact O-N 3.33Å; K523-K526 PolarHBondContact O-N 3.02Å |
| 524 | R | 86.1 | Confident | 91.3 | Very high | 194 Ų | 194 | 51.8 Ų | 51.8 | 73% | 0.732 | 24% | 0.239 | S | C | * | . | H | α-helix | trans | -64.6 | -40.6 | -179.8 | -174.7 | -175.8 | 70.7 | 110.7 | 1.9 | 112.2 | N520 K521 A522 K526 | N520-R524 WeakPolarHBondContact O-CB 3.28Å; N520-R524 PolarHBondContact O-N 3.02Å; K521-R524 PolarHBondContact O-N 3.44Å; A522-R524 PolarHBondContact O-N 3.23Å; R524-K526 VanDerWaalsContact C-N 3.29Å |
| 525 | L | 88.3 | Confident | 91.3 | Very high | 74 Ų | 74 | 51.7 Ų | 51.7 | 39% | 0.387 | 24% | 0.238 | S | C | . | . | H | α-helix | trans | -84.3 | -3.7 | -179.6 | -63.8 | 177.8 | 0 | 0 | 0 | 113 | K521 A522 E527 | K521-L525 HydrophobicContact CG-CD1 3.81Å; K521-L525 HydrophobicContact CG-CG 4.49Å; K521-L525 WeakPolarHBondContact O-CB 3.41Å; K521-L525 WeakPolarHBondContact O-CG 3.47Å; K521-L525 PolarHBondContact O-N 2.96Å; A522-L525 PolarHBondContact O-N 3.08Å; L525-E527 HydrophobicContact CB-CG 3.76Å; L525-E527 WeakPolarHBondContact CD1-OE1 3.5Å; L525-E527 PolarHBondContact O-N 3.07Å |
| 526 | K | 84 | Confident | 91.2 | Very high | 165 Ų | 165 | 51.7 Ų | 51.7 | 72% | 0.717 | 24% | 0.238 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 51.5 | 45.1 | -170.7 | -58.3 | -177.8 | 179.2 | -177.7 | 0 | 111.2 | L438 A522 K523 R524 | L438-K526 HydrophobicContact CD2-CB 3.92Å; L438-K526 WeakPolarHBondContact CD2-O 3.19Å; A522-K526 WeakPolarHBondContact O-CA 3.14Å; A522-K526 PolarHBondContact O-N 3.44Å; K523-K526 PolarHBondContact O-N 3.02Å; R524-K526 VanDerWaalsContact C-N 3.29Å |
| 527 | E | 84.6 | Confident | 91.1 | Very high | 81 Ų | 81 | 51.6 Ų | 51.6 | 38% | 0.379 | 24% | 0.238 | S | C | . | . | trans | -92.3 | 95.7 | 172 | -68.7 | 173.9 | 178.2 | 0 | 0 | 108.4 | A522 L525 N529 | A522-E527 HydrophobicContact CB-CB 4.41Å; A522-E527 PolarHBondContact O-N 3.43Å; L525-E527 HydrophobicContact CB-CG 3.76Å; L525-E527 WeakPolarHBondContact CD1-OE1 3.5Å; L525-E527 PolarHBondContact O-N 3.07Å; E527-N529 VanDerWaalsContact C-N 3.33Å; E527-N529 PolarHBondContact O-N 3.24Å | ||
| 528 | G | 84.9 | Confident | 91 | Very high | 3 Ų | 3 | 50.6 Ų | 50.6 | 3% | 0.031 | 23% | 0.232 | C | C | . | . | trans | -78.1 | 75.8 | 176.8 | 0 | 0 | 0 | 0 | 0 | 112 | R434 A437 | R434-G528 VanDerWaalsContact CA-O 3.31Å; R434-G528 WeakPolarHBondContact CA-O 3.49Å; R434-G528 VanDerWaalsContact CG-O 3.29Å; R434-G528 WeakPolarHBondContact CG-O 3.39Å; A437-G528 VanDerWaalsContact CB-C 3.41Å; A437-G528 VanDerWaalsContact CB-CA 3.48Å; A437-G528 WeakPolarHBondContact CB-O 3.39Å | ||
| 529 | N | 91.6 | Very high | 91 | Very high | 54 Ų | 54 | 49.4 Ų | 49.4 | 29% | 0.289 | 23% | 0.229 | S | C | . | . | trans | -89 | 131 | -174.4 | -58.7 | -34.1 | 0 | 0 | 0 | 112.4 | F516 D517 E527 | F516-N529 WeakPolarHBondContact CA-O 3.41Å; D517-N529 HydrophobicContact CB-CB 3.81Å; D517-N529 PolarHBondContact N-O 3.28Å; E527-N529 VanDerWaalsContact C-N 3.33Å; E527-N529 PolarHBondContact O-N 3.24Å | ||
| 530 | L | 94.7 | Very high | 91 | Very high | 7 Ų | 7 | 48.3 Ų | 48.3 | 4% | 0.037 | 22% | 0.222 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -79.2 | 120.6 | 167.8 | -179.3 | 67.7 | 0 | 0 | 0 | 109.9 | S209 A433 A514 F516 G532 | S209-L530 PolarHBondContact OG-O 3.13Å; S209-L530 VanDerWaalsContact OG-O 3.09Å; A433-L530 HydrophobicContact CB-CB 3.95Å; A433-L530 HydrophobicContact CB-CD2 4.1Å; A433-L530 HydrophobicContact CB-CG 4.44Å; A514-L530 HydrophobicContact CB-CD1 3.97Å; F516-L530 HydrophobicContact CD1-CD1 4.04Å; F516-L530 HydrophobicContact CE1-CD1 3.77Å; L530-G532 WeakPolarHBondContact CD1-O 3.44Å |
| 531 | L | 95.5 | Very high | 91 | Very high | 16 Ų | 16 | 44.5 Ų | 44.5 | 8% | 0.084 | 20% | 0.2 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -85 | -33.8 | 173.9 | -59.6 | -178.1 | 0 | 0 | 0 | 111.6 | F108 S208 S209 V515 F516 D517 | F108-L531 HydrophobicContact CB-CD1 3.69Å; F108-L531 HydrophobicContact CD1-CD1 3.57Å; F108-L531 HydrophobicContact CD1-CD2 3.96Å; F108-L531 HydrophobicContact CD1-CG 4.41Å; F108-L531 HydrophobicContact CD2-CD1 3.88Å; F108-L531 HydrophobicContact CD2-CD2 3.91Å; F108-L531 HydrophobicContact CE1-CD1 4.1Å; F108-L531 HydrophobicContact CE1-CD2 3.59Å; F108-L531 HydrophobicContact CE1-CG 4.47Å; F108-L531 HydrophobicContact CE2-CD1 4.37Å; F108-L531 HydrophobicContact CE2-CD2 3.54Å; F108-L531 HydrophobicContact CG-CD1 3.43Å; F108-L531 VanDerWaalsContact CG-CD1 3.43Å; F108-L531 HydrophobicContact CG-CD2 4.09Å; F108-L531 HydrophobicContact CG-CG 4.42Å; F108-L531 HydrophobicContact CZ-CD1 4.46Å; F108-L531 HydrophobicContact CZ-CD2 3.35Å; S208-L531 VanDerWaalsContact CA-O 3.29Å; S208-L531 WeakPolarHBondContact CA-O 3.39Å; S209-L531 PolarHBondContact N-O 2.76Å; V515-L531 HydrophobicContact CB-CB 4.45Å; V515-L531 HydrophobicContact CG1-CB 4.17Å; V515-L531 HydrophobicContact CG1-CD1 4.17Å; V515-L531 WeakPolarHBondContact O-CB 3.32Å; V515-L531 PolarHBondContact O-N 2.87Å; F516-L531 WeakPolarHBondContact O-CD1 3.12Å; D517-L531 HydrophobicContact CB-CD2 4.03Å; D517-L531 HydrophobicContact CB-CG 4.33Å |
| 532 | G | 96.6 | Very high | 90.9 | Very high | 0 Ų | 0 | 39.7 Ų | 39.7 | 0% | 0 | 18% | 0.183 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 160.6 | -163.8 | -176 | 0 | 0 | 0 | 0 | 0 | 112.2 | G207 V515 L530 | G207-G532 CarbonylContact O-C 3.49Å; G207-G532 WeakPolarHBondContact O-CA 3.36Å; V515-G532 PolarHBondContact N-O 3.4Å; V515-G532 PolarHBondContact O-N 3.16Å; L530-G532 WeakPolarHBondContact CD1-O 3.44Å |
| 533 | V | 98 | Very high | 91 | Very high | 0 Ų | 0 | 39.6 Ų | 39.6 | 0% | 0 | 18% | 0.183 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -133.8 | 134 | 180 | 178.7 | 0 | 0 | 0 | 0 | 108.7 | F206 G207 W240 Y241 A244 A512 | F206-V533 WeakPolarHBondContact CA-O 2.99Å; G207-V533 PolarHBondContact N-O 3.44Å; G207-V533 PolarHBondContact O-N 2.81Å; W240-V533 HydrophobicContact CE3-CB 4.12Å; W240-V533 HydrophobicContact CE3-CG1 3.56Å; W240-V533 HydrophobicContact CZ3-CB 3.64Å; W240-V533 HydrophobicContact CZ3-CG1 3.55Å; Y241-V533 HydrophobicContact CD1-CG2 4.45Å; Y241-V533 HydrophobicContact CD2-CB 3.74Å; Y241-V533 HydrophobicContact CD2-CG2 3.72Å; Y241-V533 HydrophobicContact CE1-CG2 4.48Å; Y241-V533 HydrophobicContact CE2-CB 4.01Å; Y241-V533 HydrophobicContact CE2-CG2 3.77Å; Y241-V533 HydrophobicContact CG-CB 4.36Å; Y241-V533 HydrophobicContact CG-CG2 4.06Å; A244-V533 HydrophobicContact CB-CB 4.45Å; A244-V533 HydrophobicContact CB-CG1 3.49Å; A244-V533 VanDerWaalsContact CB-CG1 3.49Å; A244-V533 HydrophobicContact CB-CG2 4.04Å; A512-V533 HydrophobicContact CB-CG1 3.81Å |
| 534 | A | 98.3 | Very high | 91.2 | Very high | 0 Ų | 0 | 36.3 Ų | 36.3 | 0% | 0 | 17% | 0.169 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -95.5 | 144.7 | 170.7 | 0 | 0 | 0 | 0 | 0 | 109.7 | V97 I100 Y205 A512 K513 V515 | V97-A534 HydrophobicContact CG1-CB 4.25Å; I100-A534 HydrophobicContact CB-CB 3.95Å; I100-A534 HydrophobicContact CG2-CB 3.56Å; Y205-A534 WeakPolarHBondContact O-CA 3.25Å; A512-A534 CarbonylContact C-O 3.45Å; A512-A534 WeakPolarHBondContact CA-O 3.42Å; A512-A534 WeakPolarHBondContact CB-O 3.47Å; K513-A534 PolarHBondContact N-O 3.28Å; K513-A534 PolarHBondContact O-N 3.22Å; V515-A534 HydrophobicContact CG2-CB 4.22Å |
| 535 | G | 97.1 | Very high | 91.2 | Very high | 0 Ų | 0 | 28.3 Ų | 28.3 | 0% | 0 | 14% | 0.141 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -156.9 | 162.8 | 178.2 | 0 | 0 | 0 | 0 | 0 | 114.2 | Y205 V511 | Y205-G535 PolarHBondContact N-O 2.78Å; Y205-G535 PolarHBondContact O-N 3.22Å; V511-G535 VanDerWaalsContact O-CA 3.22Å; V511-G535 WeakPolarHBondContact O-CA 3.23Å |
| 536 | V | 96 | Very high | 91.2 | Very high | 0 Ų | 0 | 25.2 Ų | 25.2 | 0% | 0 | 13% | 0.125 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -136.8 | 145.3 | 172.8 | -59.3 | 0 | 0 | 0 | 0 | 110.1 | K93 V97 I100 L201 W203 Q204 S510 V511 | K93-V536 HydrophobicContact CB-CG2 4.25Å; V97-V536 HydrophobicContact CG2-CB 4.26Å; V97-V536 HydrophobicContact CG2-CG1 3.88Å; V97-V536 HydrophobicContact CG2-CG2 3.66Å; I100-V536 HydrophobicContact CD1-CG1 4.2Å; L201-V536 HydrophobicContact CD1-CB 3.87Å; L201-V536 HydrophobicContact CD1-CG1 3.96Å; W203-V536 WeakPolarHBondContact O-CA 3.4Å; Q204-V536 HydrophobicContact CB-CG1 3.74Å; S510-V536 WeakPolarHBondContact CA-O 3.31Å; V511-V536 HydrophobicContact CG1-CG2 3.42Å; V511-V536 VanDerWaalsContact CG1-CG2 3.42Å; V511-V536 PolarHBondContact N-O 3.1Å; V511-V536 PolarHBondContact O-N 2.8Å; V511-V536 VanDerWaalsContact O-N 3.07Å |
| 537 | D | 92.8 | Very high | 91.5 | Very high | 2 Ų | 2 | 17.7 Ų | 17.7 | 1% | 0.011 | 9% | 0.093 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -96 | 137.4 | 176.9 | -73.3 | -7.1 | 0 | 0 | 0 | 111.4 | W203 Y205 F454 Y508 S510 | W203-D537 HydrophobicContact CB-CB 4.32Å; W203-D537 PolarHBondContact O-N 3.17Å; W203-D537 VanDerWaalsContact O-N 3.1Å; Y205-D537 WeakPolarHBondContact CE1-OD1 3.23Å; Y205-D537 PolarHBondContact OH-OD1 2.63Å; F454-D537 WeakPolarHBondContact CE2-OD2 3.28Å; Y508-D537 HydrophobicContact CD1-CB 3.98Å; S510-D537 WeakPolarHBondContact CB-OD1 2.95Å; S510-D537 PolarHBondContact OG-OD1 3.45Å |
| 538 | I | 91.6 | Very high | 91.6 | Very high | 0 Ų | 0 | 16 Ų | 16 | 0% | 0 | 8% | 0.083 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.4 | 115.9 | -177 | -56.2 | 159.5 | 0 | 0 | 0 | 108.2 | K93 W446 Y508 T509 V511 L540 F543 | K93-I538 HydrophobicContact CB-CD1 3.73Å; K93-I538 HydrophobicContact CB-CG1 4.26Å; K93-I538 HydrophobicContact CD-CD1 4.45Å; K93-I538 HydrophobicContact CD-CG1 4.06Å; K93-I538 HydrophobicContact CG-CD1 3.71Å; K93-I538 HydrophobicContact CG-CG1 3.84Å; W446-I538 HydrophobicContact CE3-CD1 4.44Å; W446-I538 HydrophobicContact CH2-CD1 3.45Å; W446-I538 VanDerWaalsContact CH2-CD1 3.45Å; W446-I538 HydrophobicContact CZ3-CD1 3.3Å; Y508-I538 WeakPolarHBondContact CA-O 3.45Å; T509-I538 HydrophobicContact CG2-CB 4.16Å; T509-I538 PolarHBondContact N-O 3.3Å; T509-I538 PolarHBondContact O-N 2.98Å; V511-I538 HydrophobicContact CB-CD1 4.48Å; V511-I538 HydrophobicContact CG1-CD1 3.84Å; I538-L540 PolarHBondContact O-N 2.88Å; I538-F543 HydrophobicContact CG2-CD1 4.33Å; I538-F543 HydrophobicContact CG2-CE1 3.6Å; I538-F543 HydrophobicContact CG2-CZ 4.27Å |
| 539 | P | 90.6 | Very high | 91.6 | Very high | 17 Ų | 17 | 16 Ų | 16 | 11% | 0.11 | 8% | 0.083 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -62.1 | 128.6 | 175.7 | -14.4 | 24.8 | 0 | 0 | 0 | 110.4 | K202 Y508 Q541 S542 | K202-P539 HydrophobicContact CD-CG 3.85Å; K202-P539 HydrophobicContact CG-CG 4.19Å; Y508-P539 HydrophobicContact CD1-CB 4.34Å; Y508-P539 HydrophobicContact CD1-CG 4.29Å; Y508-P539 HydrophobicContact CE1-CB 4.04Å; Y508-P539 HydrophobicContact CE1-CG 3.8Å; P539-Q541 HydrophobicContact CB-CB 4.5Å; P539-Q541 PolarHBondContact O-N 3.34Å; P539-S542 WeakPolarHBondContact O-CB 3.25Å; P539-S542 PolarHBondContact O-N 2.85Å; P539-S542 PolarHBondContact O-OG 2.95Å |
| 540 | L | 91.6 | Very high | 91.4 | Very high | 2 Ų | 2 | 14.2 Ų | 14.2 | 1% | 0.01 | 7% | 0.072 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -65.8 | -19.6 | 178.1 | -75.6 | 166 | 0 | 0 | 0 | 113 | V449 M507 T509 I538 S542 F543 Q544 L568 F569 | V449-L540 HydrophobicContact CB-CD1 4.2Å; V449-L540 HydrophobicContact CG2-CD1 3.68Å; M507-L540 HydrophobicContact CB-CD1 3.8Å; M507-L540 PolarHBondContact O-N 2.91Å; T509-L540 HydrophobicContact CG2-CD2 3.96Å; I538-L540 PolarHBondContact O-N 2.88Å; L540-S542 PolarHBondContact O-N 3.33Å; L540-F543 HydrophobicContact CD2-CD2 4.12Å; L540-F543 HydrophobicContact CD2-CE2 4.49Å; L540-F543 WeakPolarHBondContact O-CB 3.34Å; L540-F543 PolarHBondContact O-N 3.22Å; L540-Q544 PolarHBondContact O-N 2.9Å; L540-Q544 VanDerWaalsContact O-N 3.17Å; L540-L568 WeakPolarHBondContact CD1-O 3.32Å; L540-L568 HydrophobicContact CD2-CB 4.25Å; L540-F569 HydrophobicContact CD2-CD1 4.34Å |
| 541 | Q | 86.7 | Confident | 91.2 | Very high | 57 Ų | 57 | 15.4 Ų | 15.4 | 27% | 0.266 | 8% | 0.077 | S | C | . | . | H | α-helix | trans | -53.2 | -41.7 | 168.5 | -175.9 | 60.8 | 39.4 | 0 | 0 | 111.9 | P539 F543 Q544 D545 | P539-Q541 HydrophobicContact CB-CB 4.5Å; P539-Q541 PolarHBondContact O-N 3.34Å; Q541-F543 PolarHBondContact O-N 2.89Å; Q541-F543 VanDerWaalsContact O-N 3.11Å; Q541-Q544 WeakPolarHBondContact O-CB 3.42Å; Q541-Q544 PolarHBondContact O-N 3.02Å; Q541-Q544 VanDerWaalsContact O-N 3.13Å; Q541-D545 WeakPolarHBondContact CG-OD2 3.23Å; Q541-D545 VanDerWaalsContact NE2-CG 3.27Å; Q541-D545 PolarHBondContact NE2-OD1 2.95Å; Q541-D545 PolarHBondContact NE2-OD2 3.07Å; Q541-D545 VanDerWaalsContact O-CG 3.25Å; Q541-D545 PolarHBondContact O-N 3.21Å |
| 542 | S | 86.1 | Confident | 91 | Very high | 34 Ų | 34 | 14.7 Ų | 14.7 | 24% | 0.238 | 7% | 0.073 | C | C | . | . | H | α-helix | trans | -61.9 | -23.7 | 177.2 | 68.8 | 0 | 0 | 0 | 0 | 113.2 | P539 L540 | P539-S542 WeakPolarHBondContact O-CB 3.25Å; P539-S542 PolarHBondContact O-N 2.85Å; P539-S542 PolarHBondContact O-OG 2.95Å; L540-S542 PolarHBondContact O-N 3.33Å |
| 543 | F | 91.2 | Very high | 90.7 | Very high | 0 Ų | 0 | 14.9 Ų | 14.9 | 0% | 0 | 8% | 0.076 | C | C | . | . | H | α-helix | trans | -81.5 | -44.2 | 176.8 | -71.7 | 19.9 | 0 | 0 | 0 | 110.6 | L86 I89 W446 T509 I538 L540 Q541 D545 T546 F569 F657 | L86-F543 HydrophobicContact CD2-CB 3.69Å; L86-F543 HydrophobicContact CD2-CD1 3.78Å; L86-F543 HydrophobicContact CD2-CD2 4.09Å; L86-F543 HydrophobicContact CD2-CE1 4.41Å; L86-F543 HydrophobicContact CD2-CG 3.59Å; I89-F543 HydrophobicContact CG2-CE1 4.05Å; W446-F543 HydrophobicContact CZ3-CZ 4.29Å; T509-F543 HydrophobicContact CG2-CE2 4.21Å; T509-F543 HydrophobicContact CG2-CZ 4.06Å; I538-F543 HydrophobicContact CG2-CD1 4.33Å; I538-F543 HydrophobicContact CG2-CE1 3.6Å; I538-F543 HydrophobicContact CG2-CZ 4.27Å; L540-F543 HydrophobicContact CD2-CD2 4.12Å; L540-F543 HydrophobicContact CD2-CE2 4.49Å; L540-F543 WeakPolarHBondContact O-CB 3.34Å; L540-F543 PolarHBondContact O-N 3.22Å; Q541-F543 PolarHBondContact O-N 2.89Å; Q541-F543 VanDerWaalsContact O-N 3.11Å; F543-D545 PolarHBondContact O-N 3.01Å; F543-T546 WeakPolarHBondContact O-CB 3.34Å; F543-T546 WeakPolarHBondContact O-CG2 3.3Å; F543-T546 PolarHBondContact O-N 2.78Å; F543-T546 PolarHBondContact O-OG1 3.45Å; F543-F569 HydrophobicContact CB-CD1 4.32Å; F543-F569 HydrophobicContact CB-CE1 3.66Å; F543-F569 HydrophobicContact CB-CZ 4.18Å; F543-F569 HydrophobicContact CD2-CE1 4.25Å; F543-F657 HydrophobicContact CE2-CD2 4.27Å; F543-F657 HydrophobicContact CE2-CE2 4.23Å |
| 544 | Q | 89.1 | Confident | 90.3 | Very high | 57 Ų | 57 | 15.5 Ų | 15.5 | 27% | 0.266 | 8% | 0.08 | S | C | . | . | H | α-helix | trans | -58.3 | -36.9 | 175.6 | -64.8 | 172.5 | 24.9 | 0 | 0 | 111.7 | L540 Q541 T546 L547 R548 F569 | L540-Q544 PolarHBondContact O-N 2.9Å; L540-Q544 VanDerWaalsContact O-N 3.17Å; Q541-Q544 WeakPolarHBondContact O-CB 3.42Å; Q541-Q544 PolarHBondContact O-N 3.02Å; Q541-Q544 VanDerWaalsContact O-N 3.13Å; Q544-T546 PolarHBondContact O-N 3.34Å; Q544-L547 CarbonylContact O-C 3.59Å; Q544-L547 PolarHBondContact O-N 3.48Å; Q544-R548 VanDerWaalsContact O-CD 3.24Å; Q544-R548 WeakPolarHBondContact O-CD 3.45Å; Q544-F569 HydrophobicContact CG-CB 4.14Å; Q544-F569 HydrophobicContact CG-CD1 4.4Å; Q544-F569 HydrophobicContact CG-CD2 3.41Å; Q544-F569 VanDerWaalsContact CG-CD2 3.41Å; Q544-F569 HydrophobicContact CG-CE2 3.81Å; Q544-F569 HydrophobicContact CG-CG 3.73Å; Q544-F569 HydrophobicContact CG-CZ 4.46Å |
| 545 | D | 86 | Confident | 89.8 | Confident | 25 Ų | 25 | 16.5 Ų | 16.5 | 13% | 0.134 | 9% | 0.086 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -74.6 | -6.1 | -176.2 | -65.9 | -26.8 | 0 | 0 | 0 | 114.3 | Q541 F543 L547 R548 | Q541-D545 WeakPolarHBondContact CG-OD2 3.23Å; Q541-D545 VanDerWaalsContact NE2-CG 3.27Å; Q541-D545 PolarHBondContact NE2-OD1 2.95Å; Q541-D545 PolarHBondContact NE2-OD2 3.07Å; Q541-D545 VanDerWaalsContact O-CG 3.25Å; Q541-D545 PolarHBondContact O-N 3.21Å; F543-D545 PolarHBondContact O-N 3.01Å; D545-L547 PolarHBondContact O-N 2.8Å; D545-R548 WeakPolarHBondContact OD1-CD 3.24Å; D545-R548 IonicContact OD1-CZ 2.79Å; D545-R548 IonicContact OD1-NE 3.59Å; D545-R548 IonicContact OD1-NH1 3.1Å; D545-R548 PolarHBondContact OD1-NH1 3.37Å |
| 546 | T | 88.4 | Confident | 89.7 | Confident | 9 Ų | 9 | 16.9 Ų | 16.9 | 6% | 0.055 | 9% | 0.088 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -64.6 | -31.7 | 173.2 | 61.3 | 0 | 0 | 0 | 0 | 112.7 | K85 L86 I89 F543 Q544 L558 | K85-T546 HydrophobicContact CB-CG2 3.84Å; K85-T546 HydrophobicContact CD-CG2 4.36Å; K85-T546 PolarHBondContact NZ-O 3.01Å; K85-T546 VanDerWaalsContact NZ-O 3.11Å; L86-T546 HydrophobicContact CD2-CG2 3.47Å; L86-T546 VanDerWaalsContact CD2-CG2 3.47Å; L86-T546 HydrophobicContact CG-CG2 3.83Å; I89-T546 HydrophobicContact CD1-CG2 4.27Å; F543-T546 WeakPolarHBondContact O-CB 3.34Å; F543-T546 WeakPolarHBondContact O-CG2 3.3Å; F543-T546 PolarHBondContact O-N 2.78Å; F543-T546 PolarHBondContact O-OG1 3.45Å; Q544-T546 PolarHBondContact O-N 3.34Å; T546-L558 WeakPolarHBondContact OG1-CD2 3.41Å |
| 547 | L | 89.5 | Confident | 89.6 | Confident | 7 Ų | 7 | 18.4 Ų | 18.4 | 4% | 0.037 | 9% | 0.094 | C | C | . | . | S | Bend | trans | -154.1 | 108.8 | 177.3 | -168.8 | 64.5 | 0 | 0 | 0 | 111.4 | Y78 A82 Q544 D545 K551 I552 L558 L661 | Y78-L547 HydrophobicContact CD1-CD1 4.18Å; A82-L547 HydrophobicContact CB-CB 4.13Å; A82-L547 HydrophobicContact CB-CD2 4.33Å; Q544-L547 CarbonylContact O-C 3.59Å; Q544-L547 PolarHBondContact O-N 3.48Å; D545-L547 PolarHBondContact O-N 2.8Å; L547-K551 HydrophobicContact CD1-CB 4.32Å; L547-K551 HydrophobicContact CD1-CD 4Å; L547-K551 HydrophobicContact CD1-CG 4.11Å; L547-I552 HydrophobicContact CD1-CG2 3.62Å; L547-I552 HydrophobicContact CD2-CD1 4.43Å; L547-I552 HydrophobicContact CD2-CG2 3.84Å; L547-I552 HydrophobicContact CG-CD1 4.31Å; L547-I552 HydrophobicContact CG-CG2 3.72Å; L547-L558 HydrophobicContact CB-CD2 4.18Å; L547-L558 HydrophobicContact CD2-CD1 4.37Å; L547-L661 HydrophobicContact CD2-CD1 4.04Å; L547-L661 HydrophobicContact CD2-CD2 4.39Å |
| 548 | R | 87.6 | Confident | 89.8 | Confident | 45 Ų | 45 | 18.9 Ų | 18.9 | 17% | 0.17 | 10% | 0.096 | C | C | . | . | trans | -110.4 | 165.7 | -177.3 | -63.1 | -67.2 | -70.6 | -137.9 | 8.3 | 112.6 | Q544 D545 W550 K551 I552 E830 | Q544-R548 VanDerWaalsContact O-CD 3.24Å; Q544-R548 WeakPolarHBondContact O-CD 3.45Å; D545-R548 WeakPolarHBondContact OD1-CD 3.24Å; D545-R548 IonicContact OD1-CZ 2.79Å; D545-R548 IonicContact OD1-NE 3.59Å; D545-R548 IonicContact OD1-NH1 3.1Å; D545-R548 PolarHBondContact OD1-NH1 3.37Å; R548-W550 VanDerWaalsContact C-N 3.28Å; R548-W550 PolarHBondContact O-N 2.94Å; R548-K551 PolarHBondContact O-N 3.05Å; R548-I552 PolarHBondContact O-N 3.15Å; R548-E830 WeakPolarHBondContact CB-OE1 3.38Å; R548-E830 IonicContact CZ-OE1 2.62Å; R548-E830 IonicContact CZ-OE2 3.9Å; R548-E830 IonicContact NE-OE1 2.78Å; R548-E830 PolarHBondContact NE-OE1 3.17Å; R548-E830 IonicContact NE-OE2 3.31Å; R548-E830 PolarHBondContact NE-OE2 3.13Å; R548-E830 IonicContact NH2-OE1 3.98Å; R548-E830 IonicContact NH2-OE2 3.54Å; R548-E830 PolarHBondContact NH2-OE2 2.84Å | ||
| 549 | G | 85 | Confident | 90 | Very high | 3 Ų | 3 | 18.9 Ų | 18.9 | 3% | 0.031 | 10% | 0.096 | C | C | . | . | H | α-helix | trans | -59.1 | -29.1 | -176.3 | 0 | 0 | 0 | 0 | 0 | 115.1 | K551 I552 G553 E830 | G549-K551 PolarHBondContact O-N 2.77Å; G549-K551 VanDerWaalsContact O-N 3.11Å; G549-I552 PolarHBondContact O-N 2.63Å; G549-G553 CarbonylContact O-C 3.53Å; G549-G553 WeakPolarHBondContact O-CA 3.34Å; G549-G553 PolarHBondContact O-N 2.75Å; G549-E830 PolarHBondContact N-OE1 3.29Å |
| 550 | W | 87.6 | Confident | 90.4 | Very high | 18 Ų | 18 | 18 Ų | 18 | 7% | 0.068 | 9% | 0.091 | C | C | . | . | H | α-helix | trans | -62.8 | -18 | 174.9 | 70.3 | -100.5 | 0 | 0 | 0 | 113.6 | R548 Y724 E763 Y764 R767 H804 | R548-W550 VanDerWaalsContact C-N 3.28Å; R548-W550 PolarHBondContact O-N 2.94Å; W550-Y724 HydrophobicContact CZ2-CE2 4.41Å; W550-Y724 AromaticContact NE1-CD2 3.95Å; W550-Y724 AromaticContact NE1-CE2 3.41Å; W550-E763 HydrophobicContact CZ3-CG 4.31Å; W550-Y764 AromaticContact CD2-CD2 3.61Å; W550-Y764 HydrophobicContact CD2-CD2 3.61Å; W550-Y764 HydrophobicContact CD2-CE2 4.2Å; W550-Y764 AromaticContact CE2-CD2 3.56Å; W550-Y764 AromaticContact CE3-CD2 3.96Å; W550-Y764 HydrophobicContact CE3-CD2 3.96Å; W550-Y764 HydrophobicContact CG-CD2 4.02Å; W550-Y764 HydrophobicContact CG-CE2 4.11Å; W550-Y764 HydrophobicContact CH2-CD2 4.28Å; W550-Y764 HydrophobicContact CH2-CG 4.47Å; W550-Y764 AromaticContact CZ2-CD2 3.92Å; W550-Y764 HydrophobicContact CZ2-CD2 3.92Å; W550-Y764 HydrophobicContact CZ2-CG 4.19Å; W550-Y764 HydrophobicContact CZ3-CD2 4.29Å; W550-Y764 AromaticContact NE1-CD2 3.84Å; W550-R767 PolarHBondContact O-NH1 2.83Å; W550-H804 PolarHBondContact O-NE2 3.44Å |
| 551 | K | 90 | Very high | 90.6 | Very high | 32 Ų | 32 | 18 Ų | 18 | 14% | 0.139 | 9% | 0.09 | C | C | . | . | H | α-helix | trans | -100.7 | -36.8 | 178.8 | -173.3 | 157.5 | -176.4 | 147.1 | 0 | 112.7 | Y78 L547 R548 G549 I675 E763 | Y78-K551 HydrophobicContact CE1-CD 4.4Å; Y78-K551 HydrophobicContact CE1-CG 4.02Å; L547-K551 HydrophobicContact CD1-CB 4.32Å; L547-K551 HydrophobicContact CD1-CD 4Å; L547-K551 HydrophobicContact CD1-CG 4.11Å; R548-K551 PolarHBondContact O-N 3.05Å; G549-K551 PolarHBondContact O-N 2.77Å; G549-K551 VanDerWaalsContact O-N 3.11Å; K551-I675 WeakPolarHBondContact O-CD1 3.35Å; K551-E763 IonicContact NZ-OE2 2.65Å; K551-E763 PolarHBondContact NZ-OE2 2.83Å |
| 552 | I | 92.1 | Very high | 91.1 | Very high | 0 Ų | 0 | 15.6 Ų | 15.6 | 0% | 0 | 8% | 0.08 | C | C | . | . | H | α-helix | trans | -106.8 | -2.6 | -173.9 | 58.9 | 174.8 | 0 | 0 | 0 | 114.8 | Y78 L547 R548 G549 N556 L661 I675 | Y78-I552 HydrophobicContact CD1-CG2 4.42Å; Y78-I552 HydrophobicContact CD2-CG2 4.31Å; Y78-I552 HydrophobicContact CG-CG2 4.2Å; L547-I552 HydrophobicContact CD1-CG2 3.62Å; L547-I552 HydrophobicContact CD2-CD1 4.43Å; L547-I552 HydrophobicContact CD2-CG2 3.84Å; L547-I552 HydrophobicContact CG-CD1 4.31Å; L547-I552 HydrophobicContact CG-CG2 3.72Å; R548-I552 PolarHBondContact O-N 3.15Å; G549-I552 PolarHBondContact O-N 2.63Å; I552-N556 HydrophobicContact CB-CB 4.27Å; I552-N556 HydrophobicContact CD1-CB 4.02Å; I552-N556 WeakPolarHBondContact CD1-O 3.14Å; I552-N556 HydrophobicContact CG1-CB 4Å; I552-N556 WeakPolarHBondContact O-CB 3.37Å; I552-N556 PolarHBondContact O-ND2 3.47Å; I552-L661 HydrophobicContact CD1-CD1 3.68Å; I552-I675 WeakPolarHBondContact O-CG2 3.5Å |
| 553 | G | 90.5 | Very high | 91.4 | Very high | 5 Ų | 5 | 16.4 Ų | 16.4 | 5% | 0.052 | 8% | 0.081 | C | C | . | . | trans | 99.1 | 166.6 | -179.3 | 0 | 0 | 0 | 0 | 0 | 114.1 | G549 | G549-G553 CarbonylContact O-C 3.53Å; G549-G553 WeakPolarHBondContact O-CA 3.34Å; G549-G553 PolarHBondContact O-N 2.75Å | ||
| 554 | A | 87.9 | Confident | 91.4 | Very high | 12 Ų | 12 | 17.1 Ų | 17.1 | 10% | 0.099 | 9% | 0.085 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -69.3 | 150.3 | 168.8 | 0 | 0 | 0 | 0 | 0 | 111 | N556 V829 Y834 I838 | A554-N556 PolarHBondContact O-N 3.13Å; A554-N556 VanDerWaalsContact O-N 3.13Å; A554-V829 HydrophobicContact CB-CG1 3.98Å; A554-Y834 HydrophobicContact CB-CD1 3.92Å; A554-Y834 HydrophobicContact CB-CE1 3.82Å; A554-I838 HydrophobicContact CB-CD1 3.92Å |
| 555 | N | 88.9 | Confident | 91.7 | Very high | 21 Ų | 21 | 14.4 Ų | 14.4 | 11% | 0.112 | 7% | 0.073 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 63.6 | 6.8 | -178.9 | -47.6 | -34.6 | 0 | 0 | 0 | 115.1 | Q664 S835 L839 | N555-Q664 PolarHBondContact ND2-OE1 3.07Å; N555-S835 WeakPolarHBondContact OD1-CB 3.15Å; N555-S835 PolarHBondContact OD1-OG 3.42Å; N555-L839 VanDerWaalsContact ND2-CD2 3.35Å; N555-L839 WeakPolarHBondContact ND2-CD2 3.37Å |
| 556 | N | 93.9 | Very high | 92.2 | Very high | 9 Ų | 9 | 14 Ų | 14 | 5% | 0.048 | 7% | 0.07 | C | C | . | . | trans | -111.1 | 132.8 | 173.4 | -62.2 | -24.9 | 0 | 0 | 0 | 107.4 | I552 A554 A662 I663 Q664 | I552-N556 HydrophobicContact CB-CB 4.27Å; I552-N556 HydrophobicContact CD1-CB 4.02Å; I552-N556 WeakPolarHBondContact CD1-O 3.14Å; I552-N556 HydrophobicContact CG1-CB 4Å; I552-N556 WeakPolarHBondContact O-CB 3.37Å; I552-N556 PolarHBondContact O-ND2 3.47Å; A554-N556 PolarHBondContact O-N 3.13Å; A554-N556 VanDerWaalsContact O-N 3.13Å; N556-A662 VanDerWaalsContact CA-O 3.28Å; N556-A662 WeakPolarHBondContact CA-O 3.42Å; N556-I663 HydrophobicContact CB-CD1 3.87Å; N556-I663 WeakPolarHBondContact OD1-CA 3.04Å; N556-Q664 PolarHBondContact OD1-N 2.94Å | ||
| 557 | Y | 94.8 | Very high | 92.6 | Very high | 31 Ų | 31 | 13.7 Ų | 13.7 | 12% | 0.122 | 7% | 0.068 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -152.5 | 156.2 | -174.2 | 53.4 | -94.8 | 0 | 0 | 0 | 112.5 | F559 H570 P571 E594 K645 A662 | Y557-F559 HydrophobicContact CD2-CD1 4.08Å; Y557-F559 AromaticContact CE2-CD1 3.94Å; Y557-F559 HydrophobicContact CE2-CD1 3.94Å; Y557-H570 AromaticContact CE2-CD2 3.85Å; Y557-H570 AromaticContact CE2-CE1 3.82Å; Y557-H570 AromaticContact CE2-NE2 3.18Å; Y557-H570 WeakPolarHBondContact CE2-NE2 3.46Å; Y557-H570 AromaticContact CZ-NE2 3.66Å; Y557-P571 HydrophobicContact CD1-CG 3.91Å; Y557-P571 HydrophobicContact CD2-CG 3.6Å; Y557-P571 HydrophobicContact CE1-CG 4.27Å; Y557-P571 HydrophobicContact CE2-CG 4Å; Y557-P571 HydrophobicContact CG-CG 3.55Å; Y557-E594 WeakPolarHBondContact CE2-OE1 3.46Å; Y557-E594 VanDerWaalsContact CZ-OE1 3.27Å; Y557-E594 PolarHBondContact OH-OE1 3.09Å; Y557-E594 PolarHBondContact OH-OE2 2.59Å; Y557-K645 PolarHBondContact OH-NZ 3.29Å; Y557-A662 HydrophobicContact CD2-CB 4.04Å; Y557-A662 HydrophobicContact CE1-CB 4.1Å; Y557-A662 HydrophobicContact CE2-CB 3.57Å; Y557-A662 HydrophobicContact CG-CB 4.47Å; Y557-A662 PolarHBondContact N-O 3.38Å; Y557-A662 VanDerWaalsContact N-O 3.13Å; Y557-A662 PolarHBondContact O-N 3.31Å |
| 558 | L | 96.2 | Very high | 92.9 | Very high | 12 Ų | 12 | 13.5 Ų | 13.5 | 6% | 0.063 | 7% | 0.067 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -94.5 | 140.5 | 172.1 | -165.4 | 74.5 | 0 | 0 | 0 | 109.2 | L79 A82 T546 L547 F569 L659 G660 L661 | L79-L558 HydrophobicContact CD1-CD1 4.46Å; A82-L558 HydrophobicContact CB-CD1 4.38Å; A82-L558 HydrophobicContact CB-CD2 4.44Å; T546-L558 WeakPolarHBondContact OG1-CD2 3.41Å; L547-L558 HydrophobicContact CB-CD2 4.18Å; L547-L558 HydrophobicContact CD2-CD1 4.37Å; L558-F569 HydrophobicContact CB-CE2 4.41Å; L558-F569 HydrophobicContact CD2-CE2 4.35Å; L558-F569 HydrophobicContact CD2-CZ 4.17Å; L558-F569 HydrophobicContact CG-CE2 4.26Å; L558-F569 HydrophobicContact CG-CZ 4.33Å; L558-F569 WeakPolarHBondContact O-CE2 3.34Å; L558-L659 HydrophobicContact CD1-CD1 3.89Å; L558-L659 HydrophobicContact CD1-CD2 3.86Å; L558-L659 HydrophobicContact CD1-CG 3.74Å; L558-L659 HydrophobicContact CD2-CD1 3.96Å; L558-L659 HydrophobicContact CD2-CD2 4.49Å; L558-L659 HydrophobicContact CG-CD1 3.82Å; L558-L659 HydrophobicContact CG-CG 4.25Å; L558-G660 WeakPolarHBondContact CA-O 3.18Å; L558-L661 HydrophobicContact CD1-CB 4.41Å |
| 559 | F | 97.2 | Very high | 93.2 | Very high | 0 Ų | 0 | 11.6 Ų | 11.6 | 0% | 0 | 6% | 0.06 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -145.3 | 162.2 | 173.2 | 68 | -81.8 | 0 | 0 | 0 | 109.9 | Y557 V561 F569 H570 I590 M618 Y647 L659 G660 A662 | Y557-F559 HydrophobicContact CD2-CD1 4.08Å; Y557-F559 AromaticContact CE2-CD1 3.94Å; Y557-F559 HydrophobicContact CE2-CD1 3.94Å; F559-V561 HydrophobicContact CD2-CG1 4.5Å; F559-F569 WeakPolarHBondContact CA-O 3.49Å; F559-F569 WeakPolarHBondContact CB-O 3.38Å; F559-H570 HydrophobicContact CB-CB 4.19Å; F559-H570 AromaticContact CG-CD2 3.84Å; F559-I590 HydrophobicContact CD2-CD1 3.8Å; F559-I590 HydrophobicContact CE2-CD1 3.62Å; F559-I590 HydrophobicContact CE2-CG1 4.28Å; F559-M618 HydrophobicContact CD2-CE 4.08Å; F559-M618 HydrophobicContact CE2-CE 3.42Å; F559-M618 VanDerWaalsContact CE2-CE 3.42Å; F559-M618 HydrophobicContact CE2-SD 3.53Å; F559-M618 VanDerWaalsContact CE2-SD 3.53Å; F559-M618 HydrophobicContact CZ-CE 4.04Å; F559-M618 HydrophobicContact CZ-SD 4.09Å; F559-Y647 AromaticContact CE1-CD1 3.83Å; F559-Y647 HydrophobicContact CE1-CD1 3.83Å; F559-Y647 HydrophobicContact CE1-CE1 4.17Å; F559-Y647 AromaticContact CZ-CD1 3.79Å; F559-Y647 HydrophobicContact CZ-CD1 3.79Å; F559-Y647 HydrophobicContact CZ-CE1 4.2Å; F559-L659 WeakPolarHBondContact O-CD1 3.44Å; F559-G660 VanDerWaalsContact CD1-O 3.23Å; F559-G660 WeakPolarHBondContact CD1-O 3.09Å; F559-G660 PolarHBondContact N-O 2.71Å; F559-G660 PolarHBondContact O-N 2.89Å; F559-A662 HydrophobicContact CD1-CB 4.49Å; F559-A662 HydrophobicContact CE1-CB 4.1Å |
| 560 | A | 97.7 | Very high | 93.7 | Very high | 0 Ų | 0 | 12.1 Ų | 12.1 | 0% | 0 | 6% | 0.062 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -141.9 | 149.6 | 177.6 | 0 | 0 | 0 | 0 | 0 | 111.7 | L568 F569 T658 L659 | A560-L568 HydrophobicContact CB-CB 4.29Å; A560-L568 HydrophobicContact CB-CD1 3.99Å; A560-L568 PolarHBondContact O-N 3.48Å; A560-F569 HydrophobicContact CB-CD1 3.95Å; A560-F569 HydrophobicContact CB-CE1 3.39Å; A560-F569 HydrophobicContact CB-CZ 3.83Å; A560-F569 PolarHBondContact N-O 2.84Å; A560-F569 VanDerWaalsContact N-O 3.15Å; A560-T658 WeakPolarHBondContact CA-O 3.36Å; A560-L659 HydrophobicContact CB-CD1 4.04Å |
| 561 | V | 97.5 | Very high | 93.8 | Very high | 0 Ų | 0 | 14.9 Ų | 14.9 | 0% | 0 | 8% | 0.082 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.7 | 158 | 176.9 | -54.4 | 0 | 0 | 0 | 0 | 110.6 | F559 F566 V567 I590 M618 F657 T658 | F559-V561 HydrophobicContact CD2-CG1 4.5Å; V561-F566 CarbonylContact C-O 3.56Å; V561-F566 WeakPolarHBondContact CA-O 3.07Å; V561-F566 WeakPolarHBondContact CB-O 3.23Å; V561-V567 HydrophobicContact CG1-CG2 4.49Å; V561-I590 HydrophobicContact CG1-CB 4Å; V561-I590 HydrophobicContact CG1-CD1 4.01Å; V561-I590 HydrophobicContact CG1-CG1 4.15Å; V561-M618 HydrophobicContact CB-CE 4.42Å; V561-M618 HydrophobicContact CG1-CE 4.07Å; V561-M618 HydrophobicContact CG1-SD 4.13Å; V561-M618 HydrophobicContact CG2-CB 3.74Å; V561-M618 HydrophobicContact CG2-CE 3.59Å; V561-M618 HydrophobicContact CG2-CG 4.39Å; V561-M618 HydrophobicContact CG2-SD 3.88Å; V561-F657 VanDerWaalsContact O-CA 3.32Å; V561-F657 WeakPolarHBondContact O-CA 3.35Å; V561-T658 PolarHBondContact N-O 3.22Å; V561-T658 PolarHBondContact O-N 3.15Å |
| 562 | D | 95.5 | Very high | 93.7 | Very high | 7 Ų | 7 | 17.2 Ų | 17.2 | 4% | 0.037 | 10% | 0.096 | C | C | . | . | trans | -83.3 | -178.6 | 170.3 | 80.3 | -7.9 | 0 | 0 | 0 | 112.6 | N564 G565 F566 F657 | D562-N564 PolarHBondContact O-N 2.7Å; D562-N564 VanDerWaalsContact O-N 3.15Å; D562-N564 WeakPolarHBondContact OD1-CA 3.21Å; D562-N564 WeakPolarHBondContact OD1-CB 3.48Å; D562-N564 PolarHBondContact OD1-N 3.34Å; D562-N564 PolarHBondContact OD2-ND2 3.37Å; D562-N564 VanDerWaalsContact OD2-ND2 3.11Å; D562-G565 PolarHBondContact O-N 2.98Å; D562-G565 PolarHBondContact OD1-N 3.39Å; D562-F566 PolarHBondContact N-O 2.85Å; D562-F566 PolarHBondContact OD1-N 2.72Å; D562-F657 HydrophobicContact CB-CD1 4.27Å; D562-F657 HydrophobicContact CB-CE1 4.41Å | ||
| 563 | N | 92.1 | Very high | 93.6 | Very high | 51 Ų | 51 | 18.3 Ų | 18.3 | 27% | 0.273 | 10% | 0.1 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -69.6 | -3.5 | 178.1 | 63.6 | -66.9 | 0 | 0 | 0 | 114.2 | N283 P656 | N283-N563 PolarHBondContact OD1-ND2 2.79Å; N563-P656 HydrophobicContact CB-CB 4Å; N563-P656 PolarHBondContact N-O 2.84Å; N563-P656 WeakPolarHBondContact OD1-CB 3.4Å |
| 564 | N | 92.9 | Very high | 93.4 | Very high | 15 Ų | 15 | 22.3 Ų | 22.3 | 8% | 0.08 | 11% | 0.114 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -102.5 | -9.8 | 176.4 | -58.4 | -60.2 | 0 | 0 | 0 | 112.1 | N283 Q308 D562 F566 R615 | N283-N564 PolarHBondContact OD1-ND2 2.95Å; Q308-N564 PolarHBondContact NE2-OD1 3.33Å; D562-N564 PolarHBondContact O-N 2.7Å; D562-N564 VanDerWaalsContact O-N 3.15Å; D562-N564 WeakPolarHBondContact OD1-CA 3.21Å; D562-N564 WeakPolarHBondContact OD1-CB 3.48Å; D562-N564 PolarHBondContact OD1-N 3.34Å; D562-N564 PolarHBondContact OD2-ND2 3.37Å; D562-N564 VanDerWaalsContact OD2-ND2 3.11Å; N564-F566 HydrophobicContact CB-CD2 3.58Å; N564-F566 HydrophobicContact CB-CE2 3.57Å; N564-F566 HydrophobicContact CB-CG 4.35Å; N564-F566 HydrophobicContact CB-CZ 4.34Å; N564-R615 PolarHBondContact O-NH2 2.64Å |
| 565 | G | 95 | Very high | 93.2 | Very high | 1 Ų | 1 | 22 Ų | 22 | 1% | 0.01 | 11% | 0.111 | C | C | . | . | S | Bend | trans | 91.6 | 6.2 | -174 | 0 | 0 | 0 | 0 | 0 | 113.6 | D562 I590 | D562-G565 PolarHBondContact O-N 2.98Å; D562-G565 PolarHBondContact OD1-N 3.39Å; G565-I590 PolarHBondContact O-N 3.27Å |
| 566 | F | 96.6 | Very high | 92.5 | Very high | 15 Ų | 15 | 21.9 Ų | 21.9 | 7% | 0.066 | 11% | 0.111 | C | C | . | . | B | Isolated β-bridge | trans | -79.4 | 137.3 | 177.9 | -58.6 | -47.2 | 0 | 0 | 0 | 111.4 | E282 T310 V561 D562 N564 L568 N587 V588 | E282-F566 HydrophobicContact CB-CD2 4.46Å; E282-F566 HydrophobicContact CB-CE2 4.01Å; E282-F566 HydrophobicContact CG-CD2 4.18Å; E282-F566 HydrophobicContact CG-CE2 3.86Å; T310-F566 HydrophobicContact CG2-CE2 4.22Å; T310-F566 HydrophobicContact CG2-CZ 3.72Å; V561-F566 CarbonylContact C-O 3.56Å; V561-F566 WeakPolarHBondContact CA-O 3.07Å; V561-F566 WeakPolarHBondContact CB-O 3.23Å; D562-F566 PolarHBondContact N-O 2.85Å; D562-F566 PolarHBondContact OD1-N 2.72Å; N564-F566 HydrophobicContact CB-CD2 3.58Å; N564-F566 HydrophobicContact CB-CE2 3.57Å; N564-F566 HydrophobicContact CB-CG 4.35Å; N564-F566 HydrophobicContact CB-CZ 4.34Å; F566-L568 PolarHBondContact O-N 2.9Å; F566-N587 VanDerWaalsContact CD1-C 3.42Å; F566-N587 HydrophobicContact CD1-CB 4.18Å; F566-N587 WeakPolarHBondContact CD1-O 3.37Å; F566-N587 HydrophobicContact CE1-CB 3.89Å; F566-N587 WeakPolarHBondContact CE1-O 3.41Å; F566-N587 HydrophobicContact CZ-CB 4.09Å; F566-V588 WeakPolarHBondContact CA-O 3.5Å |
| 567 | V | 96.7 | Very high | 91.2 | Very high | 3 Ų | 3 | 24.1 Ų | 24.1 | 2% | 0.018 | 12% | 0.119 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -71.5 | 126 | -177.1 | 177.2 | 0 | 0 | 0 | 0 | 110.7 | V561 H570 Y573 V588 I590 V593 | V561-V567 HydrophobicContact CG1-CG2 4.49Å; V567-H570 HydrophobicContact CG1-CB 3.66Å; V567-Y573 HydrophobicContact CG1-CD2 4.47Å; V567-Y573 HydrophobicContact CG1-CG 4.21Å; V567-V588 PolarHBondContact N-O 2.77Å; V567-I590 HydrophobicContact CG2-CB 4.43Å; V567-I590 HydrophobicContact CG2-CD1 4.13Å; V567-V593 HydrophobicContact CG2-CG2 4.04Å |
| 568 | L | 95.1 | Very high | 89.7 | Confident | 3 Ų | 3 | 29.4 Ų | 29.4 | 2% | 0.016 | 14% | 0.143 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -81.8 | -50.3 | 168.1 | -63.2 | 173.8 | 0 | 0 | 0 | 110.4 | L540 A560 F566 F657 | L540-L568 WeakPolarHBondContact CD1-O 3.32Å; L540-L568 HydrophobicContact CD2-CB 4.25Å; A560-L568 HydrophobicContact CB-CB 4.29Å; A560-L568 HydrophobicContact CB-CD1 3.99Å; A560-L568 PolarHBondContact O-N 3.48Å; F566-L568 PolarHBondContact O-N 2.9Å; L568-F657 HydrophobicContact CD1-CB 4.03Å; L568-F657 HydrophobicContact CD1-CD1 3.46Å; L568-F657 VanDerWaalsContact CD1-CD1 3.46Å; L568-F657 HydrophobicContact CD1-CD2 3.83Å; L568-F657 HydrophobicContact CD1-CE1 3.72Å; L568-F657 HydrophobicContact CD1-CE2 4.08Å; L568-F657 HydrophobicContact CD1-CG 3.5Å; L568-F657 HydrophobicContact CD1-CZ 4.01Å; L568-F657 HydrophobicContact CD2-CD1 4.43Å; L568-F657 HydrophobicContact CD2-CE1 3.97Å; L568-F657 HydrophobicContact CD2-CZ 4.29Å; L568-F657 HydrophobicContact CG-CD1 4.42Å; L568-F657 HydrophobicContact CG-CE1 4.43Å |
| 569 | F | 94.9 | Very high | 88 | Confident | 6 Ų | 6 | 32.5 Ų | 32.5 | 3% | 0.026 | 17% | 0.169 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -152.9 | 145.5 | 173.7 | 65.8 | -91.4 | 0 | 0 | 0 | 110.5 | L540 F543 Q544 L558 F559 A560 L659 | L540-F569 HydrophobicContact CD2-CD1 4.34Å; F543-F569 HydrophobicContact CB-CD1 4.32Å; F543-F569 HydrophobicContact CB-CE1 3.66Å; F543-F569 HydrophobicContact CB-CZ 4.18Å; F543-F569 HydrophobicContact CD2-CE1 4.25Å; Q544-F569 HydrophobicContact CG-CB 4.14Å; Q544-F569 HydrophobicContact CG-CD1 4.4Å; Q544-F569 HydrophobicContact CG-CD2 3.41Å; Q544-F569 VanDerWaalsContact CG-CD2 3.41Å; Q544-F569 HydrophobicContact CG-CE2 3.81Å; Q544-F569 HydrophobicContact CG-CG 3.73Å; Q544-F569 HydrophobicContact CG-CZ 4.46Å; L558-F569 HydrophobicContact CB-CE2 4.41Å; L558-F569 HydrophobicContact CD2-CE2 4.35Å; L558-F569 HydrophobicContact CD2-CZ 4.17Å; L558-F569 HydrophobicContact CG-CE2 4.26Å; L558-F569 HydrophobicContact CG-CZ 4.33Å; L558-F569 WeakPolarHBondContact O-CE2 3.34Å; F559-F569 WeakPolarHBondContact CA-O 3.49Å; F559-F569 WeakPolarHBondContact CB-O 3.38Å; A560-F569 HydrophobicContact CB-CD1 3.95Å; A560-F569 HydrophobicContact CB-CE1 3.39Å; A560-F569 HydrophobicContact CB-CZ 3.83Å; A560-F569 PolarHBondContact N-O 2.84Å; A560-F569 VanDerWaalsContact N-O 3.15Å; F569-L659 HydrophobicContact CZ-CD1 4.17Å |
| 570 | H | 94.6 | Very high | 86.3 | Confident | 14 Ų | 14 | 38.5 Ų | 38.5 | 7% | 0.065 | 20% | 0.201 | C | C | . | . | trans | -161.6 | 147.3 | 176.8 | -175.5 | -79 | 0 | 0 | 0 | 108.1 | Y557 F559 V567 D572 Y573 V593 E594 | Y557-H570 AromaticContact CE2-CD2 3.85Å; Y557-H570 AromaticContact CE2-CE1 3.82Å; Y557-H570 AromaticContact CE2-NE2 3.18Å; Y557-H570 WeakPolarHBondContact CE2-NE2 3.46Å; Y557-H570 AromaticContact CZ-NE2 3.66Å; F559-H570 HydrophobicContact CB-CB 4.19Å; F559-H570 AromaticContact CG-CD2 3.84Å; V567-H570 HydrophobicContact CG1-CB 3.66Å; H570-D572 VanDerWaalsContact C-N 3.31Å; H570-D572 IonicContact CE1-OD2 3.15Å; H570-D572 PolarHBondContact CE1-OD2 2.98Å; H570-D572 PolarHBondContact ND1-N 2.84Å; H570-D572 PolarHBondContact O-N 2.88Å; H570-Y573 WeakPolarHBondContact O-CB 3.36Å; H570-Y573 PolarHBondContact O-N 2.6Å; H570-V593 HydrophobicContact CB-CG1 4.31Å; H570-V593 WeakPolarHBondContact CE1-CG1 3.43Å; H570-V593 WeakPolarHBondContact ND1-CG1 3.35Å; H570-E594 IonicContact CD2-OE1 2.82Å; H570-E594 IonicContact CE1-OE1 3.47Å; H570-E594 IonicContact NE2-OE1 3.31Å; H570-E594 PolarHBondContact NE2-OE1 3.28Å | ||
| 571 | P | 89.4 | Confident | 85.2 | Confident | 76 Ų | 76 | 41.7 Ų | 41.7 | 49% | 0.494 | 22% | 0.218 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -56.2 | -41.7 | 178.4 | 20.3 | -33.4 | 0 | 0 | 0 | 113.6 | Y557 | Y557-P571 HydrophobicContact CD1-CG 3.91Å; Y557-P571 HydrophobicContact CD2-CG 3.6Å; Y557-P571 HydrophobicContact CE1-CG 4.27Å; Y557-P571 HydrophobicContact CE2-CG 4Å; Y557-P571 HydrophobicContact CG-CG 3.55Å |
| 572 | D | 88.6 | Confident | 84.3 | Confident | 81 Ų | 81 | 43.1 Ų | 43.1 | 43% | 0.433 | 22% | 0.224 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -88.4 | 8 | -179.9 | -54.6 | -40.4 | 0 | 0 | 0 | 114.8 | H570 R574 V593 Q974 | H570-D572 VanDerWaalsContact C-N 3.31Å; H570-D572 IonicContact CE1-OD2 3.15Å; H570-D572 PolarHBondContact CE1-OD2 2.98Å; H570-D572 PolarHBondContact ND1-N 2.84Å; H570-D572 PolarHBondContact O-N 2.88Å; D572-R574 PolarHBondContact O-N 2.85Å; D572-V593 HydrophobicContact CB-CG1 3.86Å; D572-Q974 PolarHBondContact O-NE2 2.94Å; D572-Q974 PolarHBondContact O-OE1 3.47Å |
| 573 | Y | 89.7 | Confident | 83.3 | Confident | 23 Ų | 23 | 46.7 Ų | 46.7 | 9% | 0.09 | 25% | 0.249 | C | C | . | . | trans | -76.4 | 117.5 | 174.8 | 170.9 | -122.9 | 0 | 0 | 0 | 110.4 | V567 H570 P575 Y585 V588 | V567-Y573 HydrophobicContact CG1-CD2 4.47Å; V567-Y573 HydrophobicContact CG1-CG 4.21Å; H570-Y573 WeakPolarHBondContact O-CB 3.36Å; H570-Y573 PolarHBondContact O-N 2.6Å; Y573-P575 HydrophobicContact CD1-CG 4.4Å; Y573-P575 HydrophobicContact CE1-CB 3.98Å; Y573-P575 HydrophobicContact CE1-CG 4Å; Y573-P575 HydrophobicContact CE2-CB 4.45Å; Y573-P575 WeakPolarHBondContact O-CD 3.15Å; Y573-Y585 PolarHBondContact OH-O 3.46Å; Y573-V588 HydrophobicContact CD2-CB 4.2Å; Y573-V588 HydrophobicContact CD2-CG1 4.23Å; Y573-V588 HydrophobicContact CD2-CG2 4.32Å; Y573-V588 HydrophobicContact CE2-CB 3.88Å; Y573-V588 HydrophobicContact CE2-CG1 4.4Å; Y573-V588 HydrophobicContact CE2-CG2 3.76Å | ||
| 574 | R | 85.7 | Confident | 82.9 | Confident | 88 Ų | 88 | 48.1 Ų | 48.1 | 33% | 0.332 | 25% | 0.251 | S | S | . | . | trans | -113.4 | 88.6 | -175.7 | -71.7 | 174.9 | -72 | 152.6 | 4.9 | 111.2 | D572 K582 Y637 D972 | D572-R574 PolarHBondContact O-N 2.85Å; R574-K582 WeakPolarHBondContact O-CD 3.44Å; R574-K582 WeakPolarHBondContact O-CE 3.26Å; R574-K582 PolarHBondContact O-NZ 2.83Å; R574-Y637 PolarHBondContact NH2-OH 2.94Å; R574-Y637 VanDerWaalsContact NH2-OH 3.14Å; R574-D972 IonicContact CZ-OD1 3.21Å; R574-D972 IonicContact CZ-OD2 2.85Å; R574-D972 VanDerWaalsContact CZ-OD2 3.26Å; R574-D972 IonicContact NH1-OD2 3.54Å; R574-D972 PolarHBondContact NH1-OD2 3.16Å; R574-D972 IonicContact NH2-OD1 2.71Å; R574-D972 PolarHBondContact NH2-OD1 2.92Å; R574-D972 IonicContact NH2-OD2 3.95Å; R574-D972 PolarHBondContact NH2-OD2 2.91Å | ||
| 575 | P | 83.9 | Confident | 82.6 | Confident | 7 Ų | 7 | 48.5 Ų | 48.5 | 5% | 0.045 | 25% | 0.252 | C | S | . | . | trans | -79.7 | -11.9 | -177.4 | 28.9 | -34 | 0 | 0 | 0 | 114.9 | M507 Y573 L581 K582 | M507-P575 HydrophobicContact CE-CB 3.3Å; M507-P575 HydrophobicContact CE-CG 3.39Å; Y573-P575 HydrophobicContact CD1-CG 4.4Å; Y573-P575 HydrophobicContact CE1-CB 3.98Å; Y573-P575 HydrophobicContact CE1-CG 4Å; Y573-P575 HydrophobicContact CE2-CB 4.45Å; Y573-P575 WeakPolarHBondContact O-CD 3.15Å; P575-L581 HydrophobicContact CB-CD1 4.36Å; P575-K582 WeakPolarHBondContact O-CB 3.3Å; P575-K582 WeakPolarHBondContact O-CG 3.16Å; P575-K582 PolarHBondContact O-N 2.88Å | ||
| 576 | V | 74 | Confident | 82.3 | Confident | 17 Ų | 17 | 50.3 Ų | 50.3 | 10% | 0.103 | 26% | 0.26 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.5 | 151.2 | -176.9 | -163.7 | 0 | 0 | 0 | 0 | 109.8 | E502 L504 P505 L580 | E502-V576 HydrophobicContact CB-CG1 4.47Å; E502-V576 WeakPolarHBondContact OE2-CG1 3.46Å; L504-V576 HydrophobicContact CD2-CB 4.14Å; L504-V576 HydrophobicContact CD2-CG2 3.7Å; P505-V576 HydrophobicContact CG-CG2 3.81Å; V576-L580 CarbonylContact C-O 3.57Å; V576-L580 WeakPolarHBondContact CA-O 3.38Å; V576-L580 VanDerWaalsContact CG1-O 3.24Å; V576-L580 WeakPolarHBondContact CG1-O 3.4Å |
| 577 | Y | 67.4 | Low | 82.1 | Confident | 57 Ų | 57 | 50.4 Ų | 50.4 | 22% | 0.224 | 26% | 0.261 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -141.2 | 123.4 | 169 | 175.2 | -99.9 | 0 | 0 | 0 | 109.8 | A579 L580 I976 S1258 | Y577-A579 VanDerWaalsContact C-N 3.27Å; Y577-A579 PolarHBondContact O-N 2.9Å; Y577-L580 PolarHBondContact N-O 3.43Å; Y577-L580 WeakPolarHBondContact O-CB 3.35Å; Y577-L580 PolarHBondContact O-N 2.99Å; Y577-I976 HydrophobicContact CD1-CD1 3.8Å; Y577-I976 HydrophobicContact CD2-CD1 4.26Å; Y577-I976 HydrophobicContact CG-CD1 3.54Å; Y577-S1258 VanDerWaalsContact OH-CB 3.3Å; Y577-S1258 WeakPolarHBondContact OH-CB 3.32Å; Y577-S1258 PolarHBondContact OH-OG 3.34Å |
| 578 | K | 62.8 | Low | 81.8 | Confident | 142 Ų | 142 | 51 Ų | 51 | 62% | 0.617 | 27% | 0.265 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 52.5 | 42.8 | -179.2 | -62.4 | -173.6 | 177.6 | 180 | 0 | 113.2 | E502 L580 | E502-K578 WeakPolarHBondContact OE1-CA 3.38Å; E502-K578 PolarHBondContact OE1-N 2.77Å; E502-K578 PolarHBondContact OE2-N 3.22Å; K578-L580 PolarHBondContact O-N 3.45Å |
| 579 | A | 60.8 | Low | 81.8 | Confident | 76 Ų | 76 | 51.1 Ų | 51.1 | 63% | 0.628 | 27% | 0.266 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 67.9 | 8.1 | -177.5 | 0 | 0 | 0 | 0 | 0 | 114.6 | E502 Y577 | E502-A579 HydrophobicContact CG-CB 4.16Å; E502-A579 PolarHBondContact OE1-N 2.64Å; E502-A579 WeakPolarHBondContact OE2-CA 3.38Å; E502-A579 PolarHBondContact OE2-N 3.2Å; Y577-A579 VanDerWaalsContact C-N 3.27Å; Y577-A579 PolarHBondContact O-N 2.9Å |
| 580 | L | 61.7 | Low | 81.8 | Confident | 127 Ų | 127 | 50.9 Ų | 50.9 | 67% | 0.665 | 26% | 0.264 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -104.2 | 128.9 | 175.9 | -62 | 172.5 | 0 | 0 | 0 | 110.4 | V576 Y577 K578 K582 | V576-L580 CarbonylContact C-O 3.57Å; V576-L580 WeakPolarHBondContact CA-O 3.38Å; V576-L580 VanDerWaalsContact CG1-O 3.24Å; V576-L580 WeakPolarHBondContact CG1-O 3.4Å; Y577-L580 PolarHBondContact N-O 3.43Å; Y577-L580 WeakPolarHBondContact O-CB 3.35Å; Y577-L580 PolarHBondContact O-N 2.99Å; K578-L580 PolarHBondContact O-N 3.45Å; L580-K582 PolarHBondContact O-N 3.3Å |
| 581 | L | 73.8 | Confident | 81.7 | Confident | 66 Ų | 66 | 50.5 Ų | 50.5 | 35% | 0.346 | 26% | 0.263 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -64.1 | 127.2 | 173.3 | -177.1 | 70.4 | 0 | 0 | 0 | 109.8 | V451 P505 M507 P575 Y585 | V451-L581 HydrophobicContact CB-CD2 4.22Å; V451-L581 HydrophobicContact CG1-CD1 3.71Å; V451-L581 HydrophobicContact CG1-CD2 3.56Å; V451-L581 HydrophobicContact CG1-CG 4.3Å; V451-L581 HydrophobicContact CG2-CD2 3.67Å; P505-L581 HydrophobicContact CG-CD1 4.08Å; M507-L581 HydrophobicContact CE-CD1 4.03Å; P575-L581 HydrophobicContact CB-CD1 4.36Å; L581-Y585 HydrophobicContact CD1-CD1 3.98Å; L581-Y585 HydrophobicContact CD1-CD2 4.11Å; L581-Y585 HydrophobicContact CD1-CE1 4.36Å; L581-Y585 HydrophobicContact CD1-CE2 4.48Å; L581-Y585 HydrophobicContact CD1-CG 3.85Å; L581-Y585 HydrophobicContact CD2-CD1 3.88Å; L581-Y585 HydrophobicContact CD2-CE1 3.6Å; L581-Y585 HydrophobicContact CG-CD1 3.82Å; L581-Y585 HydrophobicContact CG-CE1 4.08Å; L581-Y585 HydrophobicContact CG-CG 4.2Å |
| 582 | K | 78.3 | Confident | 81.8 | Confident | 31 Ų | 31 | 48.5 Ų | 48.5 | 14% | 0.135 | 25% | 0.247 | C | C | . | . | trans | -61.3 | 137 | 178.3 | -65.4 | -173.7 | -176.2 | 170.9 | 0 | 110.5 | R574 P575 L580 Y584 Y585 Q974 I976 | R574-K582 WeakPolarHBondContact O-CD 3.44Å; R574-K582 WeakPolarHBondContact O-CE 3.26Å; R574-K582 PolarHBondContact O-NZ 2.83Å; P575-K582 WeakPolarHBondContact O-CB 3.3Å; P575-K582 WeakPolarHBondContact O-CG 3.16Å; P575-K582 PolarHBondContact O-N 2.88Å; L580-K582 PolarHBondContact O-N 3.3Å; K582-Y584 PolarHBondContact O-N 3.03Å; K582-Y585 WeakPolarHBondContact O-CB 3.34Å; K582-Y585 WeakPolarHBondContact O-CD1 3.42Å; K582-Y585 PolarHBondContact O-N 2.87Å; K582-Q974 PolarHBondContact NZ-O 2.86Å; K582-I976 HydrophobicContact CD-CD1 3.79Å; K582-I976 HydrophobicContact CD-CG1 4.02Å; K582-I976 HydrophobicContact CG-CD1 3.57Å; K582-I976 HydrophobicContact CG-CG1 4.3Å | ||
| 583 | S | 75.6 | Confident | 82 | Confident | 81 Ų | 81 | 45.4 Ų | 45.4 | 57% | 0.566 | 23% | 0.231 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -55.9 | -37.6 | -178.7 | -63.4 | 0 | 0 | 0 | 0 | 113.5 | K311 | K311-S583 WeakPolarHBondContact CD-O 3.49Å; K311-S583 WeakPolarHBondContact CE-O 3.5Å |
| 584 | Y | 83.7 | Confident | 82.1 | Confident | 82 Ų | 82 | 44.4 Ų | 44.4 | 32% | 0.322 | 23% | 0.227 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -106.3 | 22.8 | -175.2 | -52 | -52 | 0 | 0 | 0 | 113.6 | K311 F312 D315 K582 Q586 N587 | K311-Y584 HydrophobicContact CB-CD1 3.92Å; K311-Y584 HydrophobicContact CB-CE1 4.2Å; K311-Y584 HydrophobicContact CD-CD1 3.87Å; K311-Y584 HydrophobicContact CD-CE1 4.06Å; K311-Y584 HydrophobicContact CG-CD1 3.92Å; K311-Y584 HydrophobicContact CG-CE1 3.85Å; F312-Y584 HydrophobicContact CB-CD1 4.27Å; F312-Y584 HydrophobicContact CB-CE1 4.24Å; F312-Y584 HydrophobicContact CD2-CD2 4.47Å; F312-Y584 HydrophobicContact CD2-CE2 4.02Å; D315-Y584 WeakPolarHBondContact OD2-CE1 3.24Å; D315-Y584 PolarHBondContact OD2-OH 2.8Å; K582-Y584 PolarHBondContact O-N 3.03Å; Y584-Q586 PolarHBondContact O-N 2.57Å; Y584-N587 PolarHBondContact O-N 3.34Å |
| 585 | Y | 87.2 | Confident | 82.3 | Confident | 22 Ų | 22 | 41.8 Ų | 41.8 | 9% | 0.086 | 22% | 0.221 | C | C | . | . | G | 310 helix | trans | -53.6 | -29.4 | -176.2 | 76.7 | -79.2 | 0 | 0 | 0 | 113.9 | V449 V451 M507 Y573 L581 K582 N587 | V449-Y585 HydrophobicContact CG1-CD2 4.4Å; V449-Y585 HydrophobicContact CG1-CE2 4.48Å; V451-Y585 HydrophobicContact CG1-CE2 3.97Å; V451-Y585 PolarHBondContact N-OH 3.1Å; M507-Y585 HydrophobicContact CE-CD2 3.96Å; M507-Y585 HydrophobicContact CE-CE2 4.25Å; M507-Y585 HydrophobicContact SD-CD2 4.42Å; M507-Y585 HydrophobicContact SD-CE2 4.18Å; Y573-Y585 PolarHBondContact OH-O 3.46Å; L581-Y585 HydrophobicContact CD1-CD1 3.98Å; L581-Y585 HydrophobicContact CD1-CD2 4.11Å; L581-Y585 HydrophobicContact CD1-CE1 4.36Å; L581-Y585 HydrophobicContact CD1-CE2 4.48Å; L581-Y585 HydrophobicContact CD1-CG 3.85Å; L581-Y585 HydrophobicContact CD2-CD1 3.88Å; L581-Y585 HydrophobicContact CD2-CE1 3.6Å; L581-Y585 HydrophobicContact CG-CD1 3.82Å; L581-Y585 HydrophobicContact CG-CE1 4.08Å; L581-Y585 HydrophobicContact CG-CG 4.2Å; K582-Y585 WeakPolarHBondContact O-CB 3.34Å; K582-Y585 WeakPolarHBondContact O-CD1 3.42Å; K582-Y585 PolarHBondContact O-N 2.87Å; Y585-N587 VanDerWaalsContact C-N 3.27Å; Y585-N587 PolarHBondContact O-N 2.84Å |
| 586 | Q | 88.6 | Confident | 82.6 | Confident | 39 Ų | 39 | 44.1 Ų | 44.1 | 18% | 0.182 | 23% | 0.232 | C | C | . | . | G | 310 helix | trans | -73.6 | -15.5 | -178.1 | -52.1 | -173.9 | -68.7 | 0 | 0 | 114.3 | V449 Y584 | V449-Q586 HydrophobicContact CG1-CB 4.42Å; V449-Q586 WeakPolarHBondContact O-CG 3.48Å; V449-Q586 PolarHBondContact O-NE2 2.9Å; Y584-Q586 PolarHBondContact O-N 2.57Å |
| 587 | N | 91.5 | Very high | 83.2 | Confident | 18 Ų | 18 | 47.2 Ų | 47.2 | 10% | 0.096 | 24% | 0.242 | C | C | . | . | G | 310 helix | trans | -121.1 | 28.5 | -169.8 | -53.7 | 128.7 | 0 | 0 | 0 | 112.5 | E282 K311 F566 Y584 Y585 D589 | E282-N587 VanDerWaalsContact CG-ND2 3.31Å; E282-N587 WeakPolarHBondContact CG-ND2 3.42Å; K311-N587 PolarHBondContact N-OD1 2.86Å; F566-N587 VanDerWaalsContact CD1-C 3.42Å; F566-N587 HydrophobicContact CD1-CB 4.18Å; F566-N587 WeakPolarHBondContact CD1-O 3.37Å; F566-N587 HydrophobicContact CE1-CB 3.89Å; F566-N587 WeakPolarHBondContact CE1-O 3.41Å; F566-N587 HydrophobicContact CZ-CB 4.09Å; Y584-N587 PolarHBondContact O-N 3.34Å; Y585-N587 VanDerWaalsContact C-N 3.27Å; Y585-N587 PolarHBondContact O-N 2.84Å; N587-D589 PolarHBondContact O-N 2.95Å |
| 588 | V | 91.5 | Very high | 84 | Confident | 15 Ų | 15 | 50.9 Ų | 50.9 | 9% | 0.091 | 27% | 0.265 | C | S | . | . | trans | -75.9 | 117.4 | 173 | 177.7 | 0 | 0 | 0 | 0 | 108.9 | F566 V567 Y573 E592 V593 Q974 | F566-V588 WeakPolarHBondContact CA-O 3.5Å; V567-V588 PolarHBondContact N-O 2.77Å; Y573-V588 HydrophobicContact CD2-CB 4.2Å; Y573-V588 HydrophobicContact CD2-CG1 4.23Å; Y573-V588 HydrophobicContact CD2-CG2 4.32Å; Y573-V588 HydrophobicContact CE2-CB 3.88Å; Y573-V588 HydrophobicContact CE2-CG1 4.4Å; Y573-V588 HydrophobicContact CE2-CG2 3.76Å; V588-E592 HydrophobicContact CG1-CB 4.25Å; V588-V593 HydrophobicContact CG1-CG2 3.77Å; V588-Q974 HydrophobicContact CG1-CG 4.2Å | ||
| 589 | D | 94 | Very high | 85 | Confident | 6 Ų | 6 | 45.7 Ų | 45.7 | 3% | 0.032 | 25% | 0.245 | C | C | . | . | B | Isolated β-bridge | trans | -78 | 151.3 | -179.1 | -168 | -82.3 | 0 | 0 | 0 | 111.9 | N587 N591 E592 Y610 R615 | N587-D589 PolarHBondContact O-N 2.95Å; D589-N591 PolarHBondContact O-N 2.89Å; D589-N591 PolarHBondContact OD1-N 2.85Å; D589-E592 HydrophobicContact CB-CG 4.31Å; D589-E592 PolarHBondContact N-OE1 3.4Å; D589-E592 WeakPolarHBondContact O-CB 3.21Å; D589-E592 PolarHBondContact O-N 3.44Å; D589-Y610 HydrophobicContact CB-CD1 4.14Å; D589-Y610 HydrophobicContact CB-CE1 3.73Å; D589-R615 VanDerWaalsContact CG-NE 3.27Å; D589-R615 VanDerWaalsContact OD1-CD 3.24Å; D589-R615 WeakPolarHBondContact OD1-CD 3.16Å; D589-R615 IonicContact OD1-NE 2.65Å; D589-R615 PolarHBondContact OD1-NE 3.41Å; D589-R615 IonicContact OD2-CZ 3.74Å; D589-R615 VanDerWaalsContact OD2-CZ 3.27Å; D589-R615 IonicContact OD2-NE 3.33Å; D589-R615 PolarHBondContact OD2-NE 2.97Å; D589-R615 IonicContact OD2-NH2 2.65Å; D589-R615 PolarHBondContact OD2-NH2 2.79Å |
| 590 | I | 95.5 | Very high | 86 | Confident | 0 Ų | 0 | 49.3 Ų | 49.3 | 0% | 0 | 25% | 0.247 | C | C | . | . | G | 310 helix | trans | -56.1 | -34.5 | 178.3 | -170.9 | 57.4 | 0 | 0 | 0 | 113.2 | F559 V561 G565 V567 E592 V593 E594 R615 M618 | F559-I590 HydrophobicContact CD2-CD1 3.8Å; F559-I590 HydrophobicContact CE2-CD1 3.62Å; F559-I590 HydrophobicContact CE2-CG1 4.28Å; V561-I590 HydrophobicContact CG1-CB 4Å; V561-I590 HydrophobicContact CG1-CD1 4.01Å; V561-I590 HydrophobicContact CG1-CG1 4.15Å; G565-I590 PolarHBondContact O-N 3.27Å; V567-I590 HydrophobicContact CG2-CB 4.43Å; V567-I590 HydrophobicContact CG2-CD1 4.13Å; I590-E592 PolarHBondContact O-N 3.49Å; I590-V593 PolarHBondContact O-N 3.08Å; I590-V593 VanDerWaalsContact O-N 3.1Å; I590-E594 HydrophobicContact CD1-CB 4.26Å; I590-E594 HydrophobicContact CD1-CG 3.67Å; I590-E594 HydrophobicContact CG1-CB 4.33Å; I590-E594 HydrophobicContact CG1-CG 4.21Å; I590-E594 PolarHBondContact O-N 2.78Å; I590-R615 HydrophobicContact CG2-CB 3.84Å; I590-R615 HydrophobicContact CG2-CG 3.78Å; I590-M618 HydrophobicContact CG1-SD 4.35Å |
| 591 | N | 93.1 | Very high | 86.7 | Confident | 7 Ų | 7 | 45.2 Ų | 45.2 | 4% | 0.037 | 23% | 0.225 | C | C | . | . | G | 310 helix | trans | -74.5 | -12.4 | 179.9 | -72.7 | -7.4 | 0 | 0 | 0 | 113.6 | D589 V593 P608 D609 Y610 T612 R615 | D589-N591 PolarHBondContact O-N 2.89Å; D589-N591 PolarHBondContact OD1-N 2.85Å; N591-V593 VanDerWaalsContact C-N 3.28Å; N591-P608 HydrophobicContact CB-CG 4.22Å; N591-D609 PolarHBondContact ND2-O 3.02Å; N591-Y610 HydrophobicContact CB-CD1 4.17Å; N591-Y610 WeakPolarHBondContact ND2-CA 3.27Å; N591-T612 VanDerWaalsContact CG-OG1 3.31Å; N591-T612 WeakPolarHBondContact ND2-CG2 3.02Å; N591-T612 PolarHBondContact ND2-OG1 3.28Å; N591-T612 PolarHBondContact OD1-OG1 3.21Å; N591-R615 WeakPolarHBondContact ND2-CD 2.82Å |
| 592 | E | 90.8 | Very high | 86.5 | Confident | 34 Ų | 34 | 45.3 Ų | 45.3 | 16% | 0.159 | 23% | 0.226 | C | C | . | . | G | 310 helix | trans | -81.3 | -13.1 | 171 | -62.5 | 174.2 | -142 | 0 | 0 | 112.2 | V588 D589 I590 P608 Y610 F973 | V588-E592 HydrophobicContact CG1-CB 4.25Å; D589-E592 HydrophobicContact CB-CG 4.31Å; D589-E592 PolarHBondContact N-OE1 3.4Å; D589-E592 WeakPolarHBondContact O-CB 3.21Å; D589-E592 PolarHBondContact O-N 3.44Å; I590-E592 PolarHBondContact O-N 3.49Å; E592-P608 HydrophobicContact CG-CG 4.23Å; E592-Y610 HydrophobicContact CG-CE1 4.27Å; E592-Y610 PolarHBondContact OE1-OH 3.1Å; E592-F973 HydrophobicContact CB-CB 3.76Å; E592-F973 HydrophobicContact CG-CB 3.9Å |
| 593 | V | 92 | Very high | 85.8 | Confident | 15 Ų | 15 | 48.3 Ų | 48.3 | 9% | 0.091 | 25% | 0.249 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -112.4 | -55 | -177.8 | -167.9 | 0 | 0 | 0 | 0 | 110.4 | V567 H570 D572 V588 I590 N591 V595 | V567-V593 HydrophobicContact CG2-CG2 4.04Å; H570-V593 HydrophobicContact CB-CG1 4.31Å; H570-V593 WeakPolarHBondContact CE1-CG1 3.43Å; H570-V593 WeakPolarHBondContact ND1-CG1 3.35Å; D572-V593 HydrophobicContact CB-CG1 3.86Å; V588-V593 HydrophobicContact CG1-CG2 3.77Å; I590-V593 PolarHBondContact O-N 3.08Å; I590-V593 VanDerWaalsContact O-N 3.1Å; N591-V593 VanDerWaalsContact C-N 3.28Å; V593-V595 PolarHBondContact O-N 3.43Å; V593-V595 VanDerWaalsContact O-N 3.14Å |
| 594 | E | 93.4 | Very high | 85 | Confident | 3 Ų | 3 | 54.4 Ų | 54.4 | 1% | 0.014 | 26% | 0.259 | C | S | . | . | S | Bend | trans | -85.6 | 80.1 | 174 | -67.2 | -70.5 | -169 | 0 | 0 | 110 | Y557 H570 I590 L614 M628 K645 Y647 | Y557-E594 WeakPolarHBondContact CE2-OE1 3.46Å; Y557-E594 VanDerWaalsContact CZ-OE1 3.27Å; Y557-E594 PolarHBondContact OH-OE1 3.09Å; Y557-E594 PolarHBondContact OH-OE2 2.59Å; H570-E594 IonicContact CD2-OE1 2.82Å; H570-E594 IonicContact CE1-OE1 3.47Å; H570-E594 IonicContact NE2-OE1 3.31Å; H570-E594 PolarHBondContact NE2-OE1 3.28Å; I590-E594 HydrophobicContact CD1-CB 4.26Å; I590-E594 HydrophobicContact CD1-CG 3.67Å; I590-E594 HydrophobicContact CG1-CB 4.33Å; I590-E594 HydrophobicContact CG1-CG 4.21Å; I590-E594 PolarHBondContact O-N 2.78Å; E594-L614 HydrophobicContact CB-CD2 4.09Å; E594-L614 HydrophobicContact CG-CD2 4.43Å; E594-M628 HydrophobicContact CB-CE 4.34Å; E594-M628 VanDerWaalsContact O-CE 3.23Å; E594-M628 WeakPolarHBondContact O-CE 3.42Å; E594-K645 IonicContact OE2-NZ 2.7Å; E594-Y647 HydrophobicContact CG-CE1 4.17Å; E594-Y647 WeakPolarHBondContact OE1-CE1 3.34Å; E594-Y647 PolarHBondContact OE2-OH 3.03Å |
| 595 | V | 89.8 | Confident | 84.1 | Confident | 32 Ų | 32 | 52.4 Ų | 52.4 | 19% | 0.194 | 26% | 0.258 | C | S | . | . | trans | -84.2 | 125.7 | -176.8 | -175.9 | 0 | 0 | 0 | 0 | 110.8 | V593 V599 M628 T630 F973 | V593-V595 PolarHBondContact O-N 3.43Å; V593-V595 VanDerWaalsContact O-N 3.14Å; V595-V599 HydrophobicContact CG1-CB 3.9Å; V595-V599 HydrophobicContact CG1-CG1 3.99Å; V595-V599 HydrophobicContact CG1-CG2 4.17Å; V595-M628 VanDerWaalsContact C-CE 3.44Å; V595-T630 PolarHBondContact O-OG1 2.79Å; V595-F973 HydrophobicContact CG1-CE2 3.92Å; V595-F973 HydrophobicContact CG2-CD2 3.76Å; V595-F973 HydrophobicContact CG2-CE2 3.83Å | ||
| 596 | M | 88.8 | Confident | 83.2 | Confident | 57 Ų | 57 | 51.4 Ų | 51.4 | 28% | 0.281 | 25% | 0.254 | S | S | . | . | B | Isolated β-bridge | trans | -66.2 | 143.4 | 171.5 | -70.2 | -175.4 | 174.3 | 0 | 0 | 110.5 | D598 V599 T612 M628 | M596-D598 VanDerWaalsContact C-N 3.27Å; M596-D598 PolarHBondContact O-N 3.15Å; M596-V599 WeakPolarHBondContact O-CB 3.4Å; M596-V599 PolarHBondContact O-N 2.72Å; M596-T612 HydrophobicContact CE-CG2 3.85Å; M596-T612 HydrophobicContact SD-CG2 4.11Å; M596-M628 HydrophobicContact CB-CE 4.05Å; M596-M628 HydrophobicContact CE-CG 4.37Å; M596-M628 HydrophobicContact CE-SD 3.65Å; M596-M628 HydrophobicContact CG-CE 3.34Å; M596-M628 HydrophobicContact CG-CG 4Å; M596-M628 HydrophobicContact CG-SD 3.55Å; M596-M628 VanDerWaalsContact CG-SD 3.55Å; M596-M628 VanDerWaalsContact N-CE 3.3Å; M596-M628 HydrophobicContact SD-SD 4.48Å |
| 597 | R | 87.6 | Confident | 82.7 | Confident | 82 Ų | 82 | 51.4 Ų | 51.4 | 31% | 0.309 | 26% | 0.257 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -55.5 | -44.1 | 177.3 | -178.2 | 174.9 | 65.5 | -162.5 | -17.7 | 111.8 | V599 D629 N631 E642 | R597-V599 VanDerWaalsContact C-N 3.32Å; R597-V599 PolarHBondContact O-N 3.04Å; R597-D629 HydrophobicContact CB-CB 4.46Å; R597-D629 IonicContact CZ-OD2 3.39Å; R597-D629 PolarHBondContact N-O 2.83Å; R597-D629 IonicContact NH2-OD2 2.83Å; R597-D629 PolarHBondContact NH2-OD2 2.82Å; R597-N631 WeakPolarHBondContact CG-OD1 3.36Å; R597-E642 IonicContact CZ-OE2 2.64Å; R597-E642 IonicContact NH1-OE2 2.61Å; R597-E642 PolarHBondContact NH1-OE2 2.91Å |
| 598 | D | 84.1 | Confident | 82.4 | Confident | 133 Ų | 133 | 50.8 Ų | 50.8 | 71% | 0.711 | 25% | 0.254 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -96.3 | 49.5 | 177.9 | -58.5 | -43.5 | 0 | 0 | 0 | 111.5 | M596 K600 | M596-D598 VanDerWaalsContact C-N 3.27Å; M596-D598 PolarHBondContact O-N 3.15Å; D598-K600 PolarHBondContact O-N 2.86Å |
| 599 | V | 84.6 | Confident | 82.1 | Confident | 34 Ų | 34 | 53.3 Ų | 53.3 | 21% | 0.206 | 27% | 0.267 | C | S | . | . | P | Polyproline II helix | trans | -59.7 | 131.4 | -178.2 | 62.2 | 0 | 0 | 0 | 0 | 111.5 | V595 M596 R597 P608 Y971 F973 | V595-V599 HydrophobicContact CG1-CB 3.9Å; V595-V599 HydrophobicContact CG1-CG1 3.99Å; V595-V599 HydrophobicContact CG1-CG2 4.17Å; M596-V599 WeakPolarHBondContact O-CB 3.4Å; M596-V599 PolarHBondContact O-N 2.72Å; R597-V599 VanDerWaalsContact C-N 3.32Å; R597-V599 PolarHBondContact O-N 3.04Å; V599-P608 HydrophobicContact CG2-CB 3.88Å; V599-Y971 HydrophobicContact CG1-CD2 4Å; V599-Y971 HydrophobicContact CG1-CE2 4.43Å; V599-F973 HydrophobicContact CG2-CE2 4.2Å; V599-F973 HydrophobicContact CG2-CZ 4.01Å |
| 600 | K | 80.4 | Confident | 81.8 | Confident | 152 Ų | 152 | 56.5 Ų | 56.5 | 66% | 0.661 | 28% | 0.279 | S | S | * | . | P | Polyproline II helix | trans | -89.4 | 123.3 | 168.7 | -66 | 178.2 | -174.7 | 170.9 | 0 | 108.5 | D598 D609 | D598-K600 PolarHBondContact O-N 2.86Å; K600-D609 HydrophobicContact CB-CB 4.24Å; K600-D609 PolarHBondContact O-N 2.93Å |
| 601 | I | 75.9 | Confident | 81.4 | Confident | 40 Ų | 40 | 62 Ų | 62 | 21% | 0.205 | 31% | 0.308 | C | S | . | . | B | Isolated β-bridge | trans | -99.2 | 129.2 | 176.8 | -59.2 | 172 | 0 | 0 | 0 | 107.7 | P603 Y971 F973 | I601-P603 VanDerWaalsContact O-CD 3.27Å; I601-P603 WeakPolarHBondContact O-CD 3.36Å; I601-Y971 HydrophobicContact CD1-CD1 3.39Å; I601-Y971 HydrophobicContact CD1-CD2 3.74Å; I601-Y971 HydrophobicContact CD1-CE1 3.18Å; I601-Y971 HydrophobicContact CD1-CE2 3.56Å; I601-Y971 HydrophobicContact CD1-CG 3.65Å; I601-F973 HydrophobicContact CG1-CE1 4.46Å; I601-F973 HydrophobicContact CG1-CZ 4.26Å |
| 602 | D | 70.3 | Confident | 81.3 | Confident | 68 Ų | 68 | 62.4 Ų | 62.4 | 36% | 0.364 | 31% | 0.311 | S | S | . | . | P | Polyproline II helix | trans | -66.3 | 118.4 | 169.3 | 171.8 | 25.8 | 0 | 0 | 0 | 109.3 | W604 S605 G606 T607 | D602-W604 PolarHBondContact O-N 2.97Å; D602-W604 VanDerWaalsContact O-N 3.14Å; D602-W604 PolarHBondContact OD1-N 2.92Å; D602-W604 VanDerWaalsContact OD1-N 3.13Å; D602-S605 WeakPolarHBondContact CB-OG 3.45Å; D602-S605 VanDerWaalsContact CG-OG 3.31Å; D602-S605 VanDerWaalsContact OD2-CB 3.24Å; D602-S605 WeakPolarHBondContact OD2-CB 3.34Å; D602-S605 PolarHBondContact OD2-N 3.35Å; D602-S605 PolarHBondContact OD2-OG 3.21Å; D602-G606 VanDerWaalsContact O-CA 3.25Å; D602-G606 WeakPolarHBondContact O-CA 3.38Å; D602-G606 PolarHBondContact O-N 2.7Å; D602-T607 PolarHBondContact N-O 3.35Å |
| 603 | P | 63.6 | Low | 81.4 | Confident | 95 Ų | 95 | 65.1 Ų | 65.1 | 62% | 0.617 | 33% | 0.33 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60.7 | -23.3 | -179.5 | -23 | 34.2 | 0 | 0 | 0 | 113.8 | I601 P1290 | I601-P603 VanDerWaalsContact O-CD 3.27Å; I601-P603 WeakPolarHBondContact O-CD 3.36Å; P603-P1290 WeakPolarHBondContact O-CD 3.34Å |
| 604 | W | 59.8 | Low | 81.5 | Confident | 208 Ų | 208 | 64.4 Ų | 64.4 | 79% | 0.788 | 33% | 0.325 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -90.2 | -40.2 | -175.4 | -160.4 | -72.9 | 0 | 0 | 0 | 113.5 | D602 P1290 | D602-W604 PolarHBondContact O-N 2.97Å; D602-W604 VanDerWaalsContact O-N 3.14Å; D602-W604 PolarHBondContact OD1-N 2.92Å; D602-W604 VanDerWaalsContact OD1-N 3.13Å; W604-P1290 WeakPolarHBondContact O-CG 3.49Å |
| 605 | S | 63.9 | Low | 81.6 | Confident | 41 Ų | 41 | 66.3 Ų | 66.3 | 29% | 0.287 | 33% | 0.333 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -97.1 | -19.5 | 179.5 | 63.3 | 0 | 0 | 0 | 0 | 113.6 | D602 T607 S1293 | D602-S605 WeakPolarHBondContact CB-OG 3.45Å; D602-S605 VanDerWaalsContact CG-OG 3.31Å; D602-S605 VanDerWaalsContact OD2-CB 3.24Å; D602-S605 WeakPolarHBondContact OD2-CB 3.34Å; D602-S605 PolarHBondContact OD2-N 3.35Å; D602-S605 PolarHBondContact OD2-OG 3.21Å; S605-T607 PolarHBondContact O-N 2.86Å; S605-T607 PolarHBondContact OG-N 3.35Å; S605-T607 PolarHBondContact OG-OG1 2.99Å; S605-S1293 WeakPolarHBondContact O-CB 3.41Å |
| 606 | G | 68 | Low | 81.9 | Confident | 0 Ų | 0 | 67.2 Ų | 67.2 | 0% | 0 | 34% | 0.336 | C | S | . | . | trans | 66.9 | 11 | -170.6 | 0 | 0 | 0 | 0 | 0 | 114.1 | D602 T1295 | D602-G606 VanDerWaalsContact O-CA 3.25Å; D602-G606 WeakPolarHBondContact O-CA 3.38Å; D602-G606 PolarHBondContact O-N 2.7Å; G606-T1295 PolarHBondContact O-OG1 2.87Å | ||
| 607 | T | 79.1 | Confident | 82.2 | Confident | 40 Ų | 40 | 64.7 Ų | 64.7 | 25% | 0.245 | 32% | 0.324 | C | S | . | . | P | Polyproline II helix | trans | -87.5 | 163 | 178.5 | 69.2 | 0 | 0 | 0 | 0 | 111.4 | D602 S605 Y610 | D602-T607 PolarHBondContact N-O 3.35Å; S605-T607 PolarHBondContact O-N 2.86Å; S605-T607 PolarHBondContact OG-N 3.35Å; S605-T607 PolarHBondContact OG-OG1 2.99Å; T607-Y610 WeakPolarHBondContact CB-OH 3.1Å; T607-Y610 WeakPolarHBondContact OG1-CE2 3.06Å |
| 608 | P | 85.1 | Confident | 82.6 | Confident | 5 Ų | 5 | 60.8 Ų | 60.8 | 3% | 0.032 | 31% | 0.31 | C | S | . | . | B | Isolated β-bridge | trans | -73.3 | 165.1 | 174.1 | 30.6 | -30.2 | 0 | 0 | 0 | 111 | N591 E592 V599 Y610 F973 | N591-P608 HydrophobicContact CB-CG 4.22Å; E592-P608 HydrophobicContact CG-CG 4.23Å; V599-P608 HydrophobicContact CG2-CB 3.88Å; P608-Y610 HydrophobicContact CG-CE1 4.01Å; P608-Y610 PolarHBondContact O-N 3.41Å; P608-F973 HydrophobicContact CB-CD2 4.36Å; P608-F973 HydrophobicContact CB-CE1 4.14Å; P608-F973 HydrophobicContact CB-CE2 3.9Å; P608-F973 HydrophobicContact CB-CZ 3.78Å; P608-F973 VanDerWaalsContact CD-CD1 3.49Å; P608-F973 HydrophobicContact CG-CD1 4.21Å; P608-F973 HydrophobicContact CG-CD2 4.08Å; P608-F973 HydrophobicContact CG-CE1 4.25Å; P608-F973 HydrophobicContact CG-CE2 4.13Å; P608-F973 HydrophobicContact CG-CG 4.12Å; P608-F973 HydrophobicContact CG-CZ 4.21Å |
| 609 | D | 84.8 | Confident | 83.1 | Confident | 68 Ų | 68 | 56.6 Ų | 56.6 | 36% | 0.364 | 29% | 0.286 | S | S | . | . | P | Polyproline II helix | trans | -63.7 | 119.2 | 167.7 | -174.2 | 0.8 | 0 | 0 | 0 | 110.4 | N591 K600 N611 | N591-D609 PolarHBondContact ND2-O 3.02Å; K600-D609 HydrophobicContact CB-CB 4.24Å; K600-D609 PolarHBondContact O-N 2.93Å; D609-N611 VanDerWaalsContact C-N 3.33Å; D609-N611 WeakPolarHBondContact OD1-CB 3.42Å; D609-N611 PolarHBondContact OD1-N 3.35Å |
| 610 | Y | 87 | Confident | 83.6 | Confident | 73 Ų | 73 | 59.9 Ų | 59.9 | 29% | 0.286 | 30% | 0.303 | S | S | . | . | S | Bend | trans | -87.2 | 2.5 | 178.2 | -61.7 | -64.6 | 0 | 0 | 0 | 113.6 | D589 N591 E592 T607 P608 R615 | D589-Y610 HydrophobicContact CB-CD1 4.14Å; D589-Y610 HydrophobicContact CB-CE1 3.73Å; N591-Y610 HydrophobicContact CB-CD1 4.17Å; N591-Y610 WeakPolarHBondContact ND2-CA 3.27Å; E592-Y610 HydrophobicContact CG-CE1 4.27Å; E592-Y610 PolarHBondContact OE1-OH 3.1Å; T607-Y610 WeakPolarHBondContact CB-OH 3.1Å; T607-Y610 WeakPolarHBondContact OG1-CE2 3.06Å; P608-Y610 HydrophobicContact CG-CE1 4.01Å; P608-Y610 PolarHBondContact O-N 3.41Å; Y610-R615 VanDerWaalsContact O-CD 3.22Å; Y610-R615 WeakPolarHBondContact O-CD 3.24Å; Y610-R615 PolarHBondContact O-NH1 3.43Å |
| 611 | N | 87.4 | Confident | 84.3 | Confident | 115 Ų | 115 | 57 Ų | 57 | 62% | 0.615 | 29% | 0.288 | S | S | * | . | trans | -102.4 | 59.4 | 177 | -169.7 | 22.5 | 0 | 0 | 0 | 111.7 | D609 N616 | D609-N611 VanDerWaalsContact C-N 3.33Å; D609-N611 WeakPolarHBondContact OD1-CB 3.42Å; D609-N611 PolarHBondContact OD1-N 3.35Å; N611-N616 PolarHBondContact OD1-ND2 2.71Å | ||
| 612 | T | 91 | Very high | 85.3 | Confident | 15 Ų | 15 | 59.2 Ų | 59.2 | 9% | 0.092 | 30% | 0.297 | C | S | . | . | trans | -97.4 | 153.6 | 178.2 | 62.3 | 0 | 0 | 0 | 0 | 111.6 | N591 M596 L614 R615 N616 | N591-T612 VanDerWaalsContact CG-OG1 3.31Å; N591-T612 WeakPolarHBondContact ND2-CG2 3.02Å; N591-T612 PolarHBondContact ND2-OG1 3.28Å; N591-T612 PolarHBondContact OD1-OG1 3.21Å; M596-T612 HydrophobicContact CE-CG2 3.85Å; M596-T612 HydrophobicContact SD-CG2 4.11Å; T612-L614 VanDerWaalsContact C-N 3.34Å; T612-L614 PolarHBondContact O-N 3.44Å; T612-R615 PolarHBondContact O-N 3.26Å; T612-R615 WeakPolarHBondContact OG1-CB 3.06Å; T612-R615 PolarHBondContact OG1-N 3.18Å; T612-N616 WeakPolarHBondContact O-CB 3.48Å; T612-N616 PolarHBondContact O-N 2.89Å; T612-N616 PolarHBondContact O-ND2 3.49Å | ||
| 613 | T | 92.6 | Very high | 86.5 | Confident | 91 Ų | 91 | 62.2 Ų | 62.2 | 56% | 0.558 | 31% | 0.307 | S | S | * | . | H | α-helix | trans | -59.6 | -43 | 176.8 | 48.3 | 0 | 0 | 0 | 0 | 112.1 | A617 | T613-A617 WeakPolarHBondContact O-CB 3.23Å; T613-A617 PolarHBondContact O-N 2.84Å |
| 614 | L | 95 | Very high | 88.1 | Confident | 1 Ų | 1 | 60.3 Ų | 60.3 | 1% | 0.005 | 29% | 0.294 | C | S | . | . | H | α-helix | trans | -58.7 | -55.7 | 176.7 | 175.4 | 58.5 | 0 | 0 | 0 | 111.1 | E594 T612 N616 A617 M618 M628 Y647 I649 | E594-L614 HydrophobicContact CB-CD2 4.09Å; E594-L614 HydrophobicContact CG-CD2 4.43Å; T612-L614 VanDerWaalsContact C-N 3.34Å; T612-L614 PolarHBondContact O-N 3.44Å; L614-N616 VanDerWaalsContact C-N 3.34Å; L614-N616 PolarHBondContact O-N 3.41Å; L614-A617 PolarHBondContact O-N 3.44Å; L614-M618 HydrophobicContact CD1-CG 4.17Å; L614-M618 HydrophobicContact CD1-SD 4.11Å; L614-M618 WeakPolarHBondContact O-CG 3.18Å; L614-M618 PolarHBondContact O-N 3.2Å; L614-M628 HydrophobicContact CD2-SD 4.12Å; L614-Y647 HydrophobicContact CD1-CD1 4.19Å; L614-Y647 HydrophobicContact CD1-CG 4.04Å; L614-Y647 HydrophobicContact CD2-CD1 4.08Å; L614-Y647 HydrophobicContact CD2-CD2 4.49Å; L614-Y647 HydrophobicContact CD2-CE1 4.03Å; L614-Y647 HydrophobicContact CD2-CE2 4.47Å; L614-Y647 HydrophobicContact CD2-CG 4.29Å; L614-I649 HydrophobicContact CD1-CD1 3.6Å; L614-I649 HydrophobicContact CD1-CG1 4.37Å |
| 615 | R | 95 | Very high | 89.8 | Confident | 43 Ų | 43 | 52 Ų | 52 | 16% | 0.162 | 27% | 0.267 | C | S | . | . | H | α-helix | trans | -59.3 | -45.2 | -178.9 | -178 | 170.9 | 178.5 | -62.4 | -14 | 112 | N564 D589 I590 N591 Y610 T612 M618 I619 | N564-R615 PolarHBondContact O-NH2 2.64Å; D589-R615 VanDerWaalsContact CG-NE 3.27Å; D589-R615 VanDerWaalsContact OD1-CD 3.24Å; D589-R615 WeakPolarHBondContact OD1-CD 3.16Å; D589-R615 IonicContact OD1-NE 2.65Å; D589-R615 PolarHBondContact OD1-NE 3.41Å; D589-R615 IonicContact OD2-CZ 3.74Å; D589-R615 VanDerWaalsContact OD2-CZ 3.27Å; D589-R615 IonicContact OD2-NE 3.33Å; D589-R615 PolarHBondContact OD2-NE 2.97Å; D589-R615 IonicContact OD2-NH2 2.65Å; D589-R615 PolarHBondContact OD2-NH2 2.79Å; I590-R615 HydrophobicContact CG2-CB 3.84Å; I590-R615 HydrophobicContact CG2-CG 3.78Å; N591-R615 WeakPolarHBondContact ND2-CD 2.82Å; Y610-R615 VanDerWaalsContact O-CD 3.22Å; Y610-R615 WeakPolarHBondContact O-CD 3.24Å; Y610-R615 PolarHBondContact O-NH1 3.43Å; T612-R615 PolarHBondContact O-N 3.26Å; T612-R615 WeakPolarHBondContact OG1-CB 3.06Å; T612-R615 PolarHBondContact OG1-N 3.18Å; R615-M618 PolarHBondContact O-N 3.41Å; R615-I619 HydrophobicContact CG-CD1 3.73Å; R615-I619 HydrophobicContact CG-CG1 4.45Å; R615-I619 VanDerWaalsContact CZ-CD1 3.43Å; R615-I619 VanDerWaalsContact NH1-CD1 3.31Å; R615-I619 WeakPolarHBondContact O-CB 3.43Å; R615-I619 WeakPolarHBondContact O-CG1 3.14Å; R615-I619 PolarHBondContact O-N 2.91Å |
| 616 | N | 95.1 | Very high | 91.3 | Very high | 51 Ų | 51 | 52 Ų | 52 | 27% | 0.273 | 26% | 0.264 | S | S | . | . | H | α-helix | trans | -62.3 | -45.8 | 178.5 | -70.7 | -19 | 0 | 0 | 0 | 111.7 | N611 T612 L614 M618 I619 N620 | N611-N616 PolarHBondContact OD1-ND2 2.71Å; T612-N616 WeakPolarHBondContact O-CB 3.48Å; T612-N616 PolarHBondContact O-N 2.89Å; T612-N616 PolarHBondContact O-ND2 3.49Å; L614-N616 VanDerWaalsContact C-N 3.34Å; L614-N616 PolarHBondContact O-N 3.41Å; N616-M618 VanDerWaalsContact C-N 3.28Å; N616-M618 PolarHBondContact O-N 3.02Å; N616-I619 PolarHBondContact O-N 3.14Å; N616-N620 WeakPolarHBondContact O-CB 3.11Å; N616-N620 PolarHBondContact O-N 3.04Å; N616-N620 PolarHBondContact O-ND2 3.44Å |
| 617 | A | 96.1 | Very high | 92.5 | Very high | 3 Ų | 3 | 55.9 Ų | 55.9 | 3% | 0.025 | 29% | 0.285 | C | S | . | . | H | α-helix | trans | -61.5 | -37.7 | 177.3 | 0 | 0 | 0 | 0 | 0 | 112.2 | T613 L614 R621 E622 T624 L626 I649 | T613-A617 WeakPolarHBondContact O-CB 3.23Å; T613-A617 PolarHBondContact O-N 2.84Å; L614-A617 PolarHBondContact O-N 3.44Å; A617-R621 PolarHBondContact O-N 3.12Å; A617-E622 HydrophobicContact CB-CB 4.44Å; A617-E622 PolarHBondContact O-N 3.18Å; A617-T624 HydrophobicContact CB-CG2 4.07Å; A617-L626 HydrophobicContact CB-CD1 3.73Å; A617-I649 HydrophobicContact CB-CD1 3.97Å |
| 618 | M | 96.5 | Very high | 93.2 | Very high | 1 Ų | 1 | 54.6 Ų | 54.6 | 1% | 0.005 | 28% | 0.276 | C | S | . | . | H | α-helix | trans | -70.7 | -45 | 178.1 | -65.7 | -166.7 | 90.4 | 0 | 0 | 113 | F559 V561 I590 L614 R615 N616 R621 I649 T658 | F559-M618 HydrophobicContact CD2-CE 4.08Å; F559-M618 HydrophobicContact CE2-CE 3.42Å; F559-M618 VanDerWaalsContact CE2-CE 3.42Å; F559-M618 HydrophobicContact CE2-SD 3.53Å; F559-M618 VanDerWaalsContact CE2-SD 3.53Å; F559-M618 HydrophobicContact CZ-CE 4.04Å; F559-M618 HydrophobicContact CZ-SD 4.09Å; V561-M618 HydrophobicContact CB-CE 4.42Å; V561-M618 HydrophobicContact CG1-CE 4.07Å; V561-M618 HydrophobicContact CG1-SD 4.13Å; V561-M618 HydrophobicContact CG2-CB 3.74Å; V561-M618 HydrophobicContact CG2-CE 3.59Å; V561-M618 HydrophobicContact CG2-CG 4.39Å; V561-M618 HydrophobicContact CG2-SD 3.88Å; I590-M618 HydrophobicContact CG1-SD 4.35Å; L614-M618 HydrophobicContact CD1-CG 4.17Å; L614-M618 HydrophobicContact CD1-SD 4.11Å; L614-M618 WeakPolarHBondContact O-CG 3.18Å; L614-M618 PolarHBondContact O-N 3.2Å; R615-M618 PolarHBondContact O-N 3.41Å; N616-M618 VanDerWaalsContact C-N 3.28Å; N616-M618 PolarHBondContact O-N 3.02Å; M618-R621 PolarHBondContact O-N 3.19Å; M618-R621 VanDerWaalsContact O-N 3.11Å; M618-I649 HydrophobicContact CG-CD1 3.98Å; M618-I649 HydrophobicContact CG-CG1 4.39Å; M618-I649 HydrophobicContact CG-CG2 3.96Å; M618-T658 HydrophobicContact CB-CG2 4.23Å; M618-T658 HydrophobicContact CE-CG2 4.15Å; M618-T658 HydrophobicContact CG-CG2 4.36Å; M618-T658 WeakPolarHBondContact O-CB 3.48Å; M618-T658 PolarHBondContact O-OG1 3.15Å |
| 619 | I | 94.7 | Very high | 93.5 | Very high | 44 Ų | 44 | 57.6 Ų | 57.6 | 23% | 0.226 | 29% | 0.292 | C | S | . | . | H | α-helix | trans | -65.3 | -40.1 | 176.9 | -71.3 | 173 | 0 | 0 | 0 | 111 | R615 N616 R621 | R615-I619 HydrophobicContact CG-CD1 3.73Å; R615-I619 HydrophobicContact CG-CG1 4.45Å; R615-I619 VanDerWaalsContact CZ-CD1 3.43Å; R615-I619 VanDerWaalsContact NH1-CD1 3.31Å; R615-I619 WeakPolarHBondContact O-CB 3.43Å; R615-I619 WeakPolarHBondContact O-CG1 3.14Å; R615-I619 PolarHBondContact O-N 2.91Å; N616-I619 PolarHBondContact O-N 3.14Å; I619-R621 PolarHBondContact O-N 3.22Å |
| 620 | N | 94.9 | Very high | 93.8 | Very high | 103 Ų | 103 | 54.6 Ų | 54.6 | 55% | 0.551 | 28% | 0.276 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -72.2 | -4.7 | 175.5 | -68 | -15.2 | 0 | 0 | 0 | 113.2 | N616 E622 | N616-N620 WeakPolarHBondContact O-CB 3.11Å; N616-N620 PolarHBondContact O-N 3.04Å; N616-N620 PolarHBondContact O-ND2 3.44Å; N620-E622 VanDerWaalsContact C-N 3.28Å; N620-E622 HydrophobicContact CB-CG 3.84Å; N620-E622 WeakPolarHBondContact CB-OE1 3.2Å; N620-E622 PolarHBondContact ND2-OE1 3.1Å; N620-E622 VanDerWaalsContact ND2-OE1 3.11Å; N620-E622 PolarHBondContact O-N 2.94Å |
| 621 | R | 95.3 | Very high | 93.9 | Very high | 92 Ų | 92 | 52.1 Ų | 52.1 | 35% | 0.347 | 27% | 0.268 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 59.3 | 38.8 | 177.9 | -58.9 | -174.8 | 68.6 | -142.3 | -2.2 | 112.4 | A617 M618 I619 P651 I652 T655 | A617-R621 PolarHBondContact O-N 3.12Å; M618-R621 PolarHBondContact O-N 3.19Å; M618-R621 VanDerWaalsContact O-N 3.11Å; I619-R621 PolarHBondContact O-N 3.22Å; R621-P651 HydrophobicContact CB-CB 4.05Å; R621-I652 PolarHBondContact NH2-O 2.94Å; R621-I652 VanDerWaalsContact NH2-O 3.08Å; R621-T655 PolarHBondContact NH2-O 2.99Å |
| 622 | E | 95.3 | Very high | 94 | Very high | 86 Ų | 86 | 47.5 Ų | 47.5 | 40% | 0.402 | 24% | 0.243 | S | C | . | . | trans | -78.5 | 140.6 | -178.9 | -65.7 | 174.4 | -155.6 | 0 | 0 | 111.2 | A617 N620 T624 I649 | A617-E622 HydrophobicContact CB-CB 4.44Å; A617-E622 PolarHBondContact O-N 3.18Å; N620-E622 VanDerWaalsContact C-N 3.28Å; N620-E622 HydrophobicContact CB-CG 3.84Å; N620-E622 WeakPolarHBondContact CB-OE1 3.2Å; N620-E622 PolarHBondContact ND2-OE1 3.1Å; N620-E622 VanDerWaalsContact ND2-OE1 3.11Å; N620-E622 PolarHBondContact O-N 2.94Å; E622-T624 HydrophobicContact CB-CG2 4.14Å; E622-I649 WeakPolarHBondContact O-CG2 3.34Å | ||
| 623 | K | 96.5 | Very high | 93.8 | Very high | 132 Ų | 132 | 49 Ų | 49 | 57% | 0.574 | 25% | 0.252 | S | S | * | . | trans | -92.4 | 98.4 | 168.1 | -172.9 | 171.3 | -174.6 | 168.2 | 0 | 109 | D80 I649 A650 | D80-K623 WeakPolarHBondContact OD1-CE 3.49Å; D80-K623 IonicContact OD1-NZ 3.34Å; D80-K623 PolarHBondContact OD1-NZ 3.23Å; D80-K623 IonicContact OD2-NZ 2.79Å; K623-I649 WeakPolarHBondContact CA-O 3.33Å; K623-A650 HydrophobicContact CD-CB 4.5Å; K623-A650 HydrophobicContact CG-CB 4.22Å | ||
| 624 | T | 96.6 | Very high | 93.2 | Very high | 55 Ų | 55 | 45 Ų | 45 | 34% | 0.337 | 23% | 0.228 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -153.2 | 175.8 | -171.1 | -168.2 | 0 | 0 | 0 | 0 | 111.7 | A617 E622 L626 I649 | A617-T624 HydrophobicContact CB-CG2 4.07Å; E622-T624 HydrophobicContact CB-CG2 4.14Å; T624-L626 HydrophobicContact CG2-CG 4.33Å; T624-I649 HydrophobicContact CG2-CB 4.48Å; T624-I649 HydrophobicContact CG2-CD1 4.33Å; T624-I649 PolarHBondContact N-O 3.07Å; T624-I649 VanDerWaalsContact N-O 3.1Å; T624-I649 PolarHBondContact O-N 3Å |
| 625 | S | 96.3 | Very high | 91.9 | Very high | 32 Ų | 32 | 47.7 Ų | 47.7 | 22% | 0.224 | 24% | 0.242 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.9 | 141.3 | 168.4 | 68.6 | 0 | 0 | 0 | 0 | 111.1 | K646 Y647 | S625-K646 VanDerWaalsContact OG-CE 3.28Å; S625-K646 WeakPolarHBondContact OG-CE 3.2Å; S625-Y647 CarbonylContact C-O 3.49Å; S625-Y647 WeakPolarHBondContact CA-O 3.4Å |
| 626 | L | 95.1 | Very high | 90.7 | Very high | 41 Ų | 41 | 50.6 Ų | 50.6 | 22% | 0.215 | 26% | 0.26 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.5 | 139.4 | -176.8 | -61.4 | 167.5 | 0 | 0 | 0 | 110.3 | A617 T624 K646 Y647 I649 | A617-L626 HydrophobicContact CB-CD1 3.73Å; T624-L626 HydrophobicContact CG2-CG 4.33Å; L626-K646 CarbonylContact O-C 3.52Å; L626-K646 WeakPolarHBondContact O-CA 3.39Å; L626-Y647 PolarHBondContact N-O 2.84Å; L626-Y647 PolarHBondContact O-N 2.82Å; L626-I649 HydrophobicContact CD1-CD1 3.76Å; L626-I649 HydrophobicContact CG-CD1 4.44Å |
| 627 | D | 93.7 | Very high | 89.7 | Confident | 83 Ų | 83 | 50 Ų | 50 | 44% | 0.444 | 26% | 0.255 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.1 | 138.9 | 173.6 | -63.1 | -7.3 | 0 | 0 | 0 | 109.2 | K645 K646 | D627-K645 WeakPolarHBondContact CA-O 3.46Å; D627-K646 WeakPolarHBondContact OD1-CB 3.44Å; D627-K646 WeakPolarHBondContact OD1-CD 3.47Å; D627-K646 WeakPolarHBondContact OD1-CE 3.38Å; D627-K646 WeakPolarHBondContact OD1-CG 3.32Å |
| 628 | M | 92.4 | Very high | 88.5 | Confident | 13 Ų | 13 | 53 Ų | 53 | 6% | 0.064 | 27% | 0.268 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -148.4 | 129.7 | 177.1 | 157.7 | 173.6 | 161.2 | 0 | 0 | 110.6 | E594 V595 M596 L614 K645 Y647 | E594-M628 HydrophobicContact CB-CE 4.34Å; E594-M628 VanDerWaalsContact O-CE 3.23Å; E594-M628 WeakPolarHBondContact O-CE 3.42Å; V595-M628 VanDerWaalsContact C-CE 3.44Å; M596-M628 HydrophobicContact CB-CE 4.05Å; M596-M628 HydrophobicContact CE-CG 4.37Å; M596-M628 HydrophobicContact CE-SD 3.65Å; M596-M628 HydrophobicContact CG-CE 3.34Å; M596-M628 HydrophobicContact CG-CG 4Å; M596-M628 HydrophobicContact CG-SD 3.55Å; M596-M628 VanDerWaalsContact CG-SD 3.55Å; M596-M628 VanDerWaalsContact N-CE 3.3Å; M596-M628 HydrophobicContact SD-SD 4.48Å; L614-M628 HydrophobicContact CD2-SD 4.12Å; M628-K645 PolarHBondContact N-O 3.05Å; M628-K645 PolarHBondContact O-N 3.11Å; M628-Y647 HydrophobicContact CB-CD2 4.18Å; M628-Y647 HydrophobicContact CB-CE2 3.77Å; M628-Y647 HydrophobicContact CG-CE2 4.1Å; M628-Y647 HydrophobicContact SD-CE2 4.2Å |
| 629 | D | 93 | Very high | 87.8 | Confident | 67 Ų | 67 | 53 Ų | 53 | 36% | 0.358 | 27% | 0.268 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -79.2 | 129.4 | 173.3 | -73.9 | -12.6 | 0 | 0 | 0 | 109.7 | R597 S644 | R597-D629 HydrophobicContact CB-CB 4.46Å; R597-D629 IonicContact CZ-OD2 3.39Å; R597-D629 PolarHBondContact N-O 2.83Å; R597-D629 IonicContact NH2-OD2 2.83Å; R597-D629 PolarHBondContact NH2-OD2 2.82Å; D629-S644 WeakPolarHBondContact OD1-CB 3.39Å; D629-S644 PolarHBondContact OD1-OG 3.07Å |
| 630 | T | 91.3 | Very high | 87.4 | Confident | 5 Ų | 5 | 51 Ų | 51 | 3% | 0.031 | 26% | 0.258 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -142 | 167.3 | -174.8 | -174.5 | 0 | 0 | 0 | 0 | 110.8 | V595 A643 K645 | V595-T630 PolarHBondContact O-OG1 2.79Å; T630-A643 PolarHBondContact N-O 3.42Å; T630-A643 PolarHBondContact O-N 3.19Å; T630-K645 HydrophobicContact CG2-CB 4.36Å; T630-K645 HydrophobicContact CG2-CD 3.69Å; T630-K645 HydrophobicContact CG2-CG 3.77Å |
| 631 | N | 89.3 | Confident | 87.2 | Confident | 22 Ų | 22 | 46.4 Ų | 46.4 | 12% | 0.118 | 23% | 0.233 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107 | 118.7 | 173 | -64.3 | -33.7 | 0 | 0 | 0 | 108.1 | R597 V633 M640 L970 | R597-N631 WeakPolarHBondContact CG-OD1 3.36Å; N631-V633 PolarHBondContact O-N 2.78Å; N631-M640 HydrophobicContact CB-CE 3.68Å; N631-M640 HydrophobicContact CB-SD 3.67Å; N631-L970 HydrophobicContact CB-CD2 4.04Å |
| 632 | I | 88.9 | Confident | 86.9 | Confident | 18 Ų | 18 | 46.7 Ų | 46.7 | 9% | 0.092 | 24% | 0.238 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -80 | 112 | 171.2 | -56.8 | 173.5 | 0 | 0 | 0 | 107.2 | V634 M640 F641 A643 Q664 L839 | I632-V634 HydrophobicContact CG2-CG1 4.39Å; I632-M640 CarbonylContact O-C 3.47Å; I632-M640 VanDerWaalsContact O-CA 3.26Å; I632-M640 WeakPolarHBondContact O-CA 3.39Å; I632-F641 PolarHBondContact N-O 2.71Å; I632-F641 PolarHBondContact O-N 2.86Å; I632-A643 HydrophobicContact CD1-CB 3.59Å; I632-A643 HydrophobicContact CG1-CB 3.95Å; I632-Q664 HydrophobicContact CD1-CG 4.42Å; I632-L839 HydrophobicContact CB-CD1 4.28Å; I632-L839 HydrophobicContact CD1-CD1 4.44Å; I632-L839 HydrophobicContact CD1-CD2 4.04Å; I632-L839 HydrophobicContact CG2-CD1 3.61Å |
| 633 | V | 85.7 | Confident | 86.7 | Confident | 45 Ų | 45 | 43.2 Ų | 43.2 | 27% | 0.273 | 22% | 0.224 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -94.1 | 132.1 | 179.2 | -176.4 | 0 | 0 | 0 | 0 | 109.4 | N631 Y637 L970 | N631-V633 PolarHBondContact O-N 2.78Å; V633-Y637 VanDerWaalsContact CG1-CA 3.46Å; V633-Y637 HydrophobicContact CG1-CD1 3.73Å; V633-Y637 HydrophobicContact CG1-CD2 4.37Å; V633-Y637 HydrophobicContact CG1-CE1 4.18Å; V633-Y637 HydrophobicContact CG1-CG 3.81Å; V633-Y637 HydrophobicContact CG2-CD1 4.37Å; V633-Y637 HydrophobicContact CG2-CE1 4.4Å; V633-L970 HydrophobicContact CG1-CD1 4.2Å; V633-L970 HydrophobicContact CG2-CD1 3.72Å; V633-L970 HydrophobicContact CG2-CD2 3.82Å; V633-L970 HydrophobicContact CG2-CG 4.39Å |
| 634 | V | 80.2 | Confident | 86.5 | Confident | 9 Ų | 9 | 38.3 Ų | 38.3 | 6% | 0.055 | 21% | 0.206 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.5 | 164.6 | 173 | -56.5 | 0 | 0 | 0 | 0 | 109.8 | I632 N636 T639 F641 A836 L839 | I632-V634 HydrophobicContact CG2-CG1 4.39Å; V634-N636 PolarHBondContact O-N 3.09Å; V634-T639 HydrophobicContact CG2-CG2 3.84Å; V634-T639 PolarHBondContact N-O 2.91Å; V634-T639 PolarHBondContact O-N 3.06Å; V634-F641 HydrophobicContact CG2-CD2 4.49Å; V634-F641 HydrophobicContact CG2-CE2 3.88Å; V634-A836 HydrophobicContact CB-CB 4.2Å; V634-A836 HydrophobicContact CG1-CB 4.45Å; V634-A836 HydrophobicContact CG2-CB 3.92Å; V634-L839 HydrophobicContact CG1-CD1 4.13Å |
| 635 | D | 68.5 | Low | 86.5 | Confident | 57 Ų | 57 | 36.2 Ų | 36.2 | 31% | 0.305 | 19% | 0.192 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 53.3 | 54 | 175.5 | -51.6 | -31.5 | 0 | 0 | 0 | 114.3 | Y637 H638 | D635-Y637 PolarHBondContact O-N 3.36Å; D635-H638 WeakPolarHBondContact O-CB 3.37Å; D635-H638 PolarHBondContact O-CD2 2.72Å; D635-H638 PolarHBondContact O-N 2.56Å |
| 636 | N | 68.5 | Low | 86.5 | Confident | 103 Ų | 103 | 35.1 Ų | 35.1 | 55% | 0.551 | 18% | 0.184 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 53.3 | 49.1 | 176.1 | -64.5 | -13.3 | 0 | 0 | 0 | 114.2 | V634 H638 | V634-N636 PolarHBondContact O-N 3.09Å; N636-H638 PolarHBondContact O-N 3.19Å |
| 637 | Y | 74.6 | Confident | 86.6 | Confident | 40 Ų | 40 | 33.2 Ų | 33.2 | 16% | 0.157 | 17% | 0.174 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 68.5 | 6.6 | 178.2 | -60.8 | -99.7 | 0 | 0 | 0 | 115.7 | R574 V633 D635 L970 D972 F1298 | R574-Y637 PolarHBondContact NH2-OH 2.94Å; R574-Y637 VanDerWaalsContact NH2-OH 3.14Å; V633-Y637 VanDerWaalsContact CG1-CA 3.46Å; V633-Y637 HydrophobicContact CG1-CD1 3.73Å; V633-Y637 HydrophobicContact CG1-CD2 4.37Å; V633-Y637 HydrophobicContact CG1-CE1 4.18Å; V633-Y637 HydrophobicContact CG1-CG 3.81Å; V633-Y637 HydrophobicContact CG2-CD1 4.37Å; V633-Y637 HydrophobicContact CG2-CE1 4.4Å; D635-Y637 PolarHBondContact O-N 3.36Å; Y637-L970 HydrophobicContact CD1-CB 4.04Å; Y637-L970 HydrophobicContact CD1-CD1 3.99Å; Y637-D972 HydrophobicContact CE1-CB 4.01Å; Y637-D972 HydrophobicContact CE2-CB 4.1Å; Y637-D972 WeakPolarHBondContact OH-CB 3.23Å; Y637-D972 VanDerWaalsContact OH-CG 3.27Å; Y637-D972 PolarHBondContact OH-OD1 2.63Å; Y637-F1298 VanDerWaalsContact CB-CG 3.48Å; Y637-F1298 HydrophobicContact CD1-CB 4.39Å; Y637-F1298 AromaticContact CD1-CD2 3.7Å; Y637-F1298 HydrophobicContact CD1-CD2 3.7Å; Y637-F1298 HydrophobicContact CD1-CE2 4.29Å; Y637-F1298 HydrophobicContact CD1-CG 4.16Å; Y637-F1298 HydrophobicContact CD2-CD2 4.17Å; Y637-F1298 HydrophobicContact CD2-CE2 4.02Å; Y637-F1298 HydrophobicContact CD2-CZ 4.38Å; Y637-F1298 HydrophobicContact CE1-CD2 4.33Å; Y637-F1298 HydrophobicContact CE2-CE2 4.45Å; Y637-F1298 HydrophobicContact CG-CB 4.41Å; Y637-F1298 HydrophobicContact CG-CD1 4.43Å; Y637-F1298 AromaticContact CG-CD2 3.62Å; Y637-F1298 HydrophobicContact CG-CD2 3.62Å; Y637-F1298 AromaticContact CG-CE2 3.96Å; Y637-F1298 HydrophobicContact CG-CE2 3.96Å; Y637-F1298 AromaticContact CG-CG 3.9Å; Y637-F1298 HydrophobicContact CG-CG 3.9Å; Y637-F1298 HydrophobicContact CG-CZ 4.49Å |
| 638 | H | 72.3 | Confident | 86.8 | Confident | 66 Ų | 66 | 29.4 Ų | 29.4 | 31% | 0.306 | 15% | 0.153 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -77.3 | -36.5 | 174.9 | -64.7 | -50.8 | 0 | 0 | 0 | 112.9 | D635 N636 M933 T1300 | D635-H638 WeakPolarHBondContact O-CB 3.37Å; D635-H638 PolarHBondContact O-CD2 2.72Å; D635-H638 PolarHBondContact O-N 2.56Å; N636-H638 PolarHBondContact O-N 3.19Å; H638-M933 HydrophobicContact CB-CE 4.02Å; H638-M933 HydrophobicContact CB-SD 3.56Å; H638-M933 VanDerWaalsContact CB-SD 3.56Å; H638-T1300 PolarHBondContact O-OG1 2.78Å |
| 639 | T | 80.1 | Confident | 87.1 | Confident | 1 Ų | 1 | 28.9 Ų | 28.9 | 1% | 0.006 | 15% | 0.15 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.6 | 139.8 | -178.2 | -53.5 | 0 | 0 | 0 | 0 | 110 | V634 F641 A931 | V634-T639 HydrophobicContact CG2-CG2 3.84Å; V634-T639 PolarHBondContact N-O 2.91Å; V634-T639 PolarHBondContact O-N 3.06Å; T639-F641 HydrophobicContact CG2-CE2 3.68Å; T639-F641 HydrophobicContact CG2-CZ 3.72Å; T639-A931 HydrophobicContact CG2-CB 4.23Å |
| 640 | M | 88 | Confident | 87.3 | Confident | 0 Ų | 0 | 25.8 Ų | 25.8 | 0% | 0 | 14% | 0.135 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -135.4 | 161.7 | 172.3 | 86.9 | 133 | 74.2 | 0 | 0 | 113 | N631 I632 I968 L970 T1300 N1302 | N631-M640 HydrophobicContact CB-CE 3.68Å; N631-M640 HydrophobicContact CB-SD 3.67Å; I632-M640 CarbonylContact O-C 3.47Å; I632-M640 VanDerWaalsContact O-CA 3.26Å; I632-M640 WeakPolarHBondContact O-CA 3.39Å; M640-I968 HydrophobicContact CE-CB 3.79Å; M640-I968 HydrophobicContact CE-CD1 4.09Å; M640-I968 HydrophobicContact CE-CG2 3.24Å; M640-I968 HydrophobicContact CG-CD1 4.08Å; M640-I968 HydrophobicContact SD-CB 4.41Å; M640-I968 HydrophobicContact SD-CD1 3.54Å; M640-I968 VanDerWaalsContact SD-CD1 3.54Å; M640-I968 HydrophobicContact SD-CG2 4.05Å; M640-L970 HydrophobicContact CB-CD1 4.21Å; M640-L970 HydrophobicContact CE-CD1 3.77Å; M640-L970 HydrophobicContact CE-CD2 3.23Å; M640-L970 HydrophobicContact CE-CG 3.42Å; M640-L970 VanDerWaalsContact CE-CG 3.42Å; M640-T1300 HydrophobicContact CB-CG2 4.01Å; M640-T1300 HydrophobicContact CE-CG2 3.64Å; M640-T1300 HydrophobicContact CG-CG2 3.64Å; M640-T1300 HydrophobicContact SD-CG2 4.5Å; M640-N1302 PolarHBondContact O-ND2 3.29Å; M640-N1302 PolarHBondContact O-OD1 3.39Å |
| 641 | F | 89.8 | Confident | 87.6 | Confident | 8 Ų | 8 | 26.9 Ų | 26.9 | 4% | 0.035 | 14% | 0.142 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -135.9 | 127.4 | 170.4 | -57.6 | -83.6 | 0 | 0 | 0 | 110.4 | I632 V634 T639 A643 L839 T840 Y843 | I632-F641 PolarHBondContact N-O 2.71Å; I632-F641 PolarHBondContact O-N 2.86Å; V634-F641 HydrophobicContact CG2-CD2 4.49Å; V634-F641 HydrophobicContact CG2-CE2 3.88Å; T639-F641 HydrophobicContact CG2-CE2 3.68Å; T639-F641 HydrophobicContact CG2-CZ 3.72Å; F641-A643 PolarHBondContact O-N 2.76Å; F641-L839 HydrophobicContact CB-CD2 4.46Å; F641-L839 HydrophobicContact CD1-CB 4.14Å; F641-L839 HydrophobicContact CD2-CB 3.47Å; F641-L839 VanDerWaalsContact CD2-CB 3.47Å; F641-L839 HydrophobicContact CD2-CD1 3.66Å; F641-L839 HydrophobicContact CD2-CG 4.09Å; F641-L839 HydrophobicContact CE1-CB 4.19Å; F641-L839 HydrophobicContact CE2-CB 3.51Å; F641-L839 HydrophobicContact CE2-CD1 4.16Å; F641-L839 HydrophobicContact CE2-CG 4.47Å; F641-L839 HydrophobicContact CG-CB 3.79Å; F641-L839 HydrophobicContact CG-CD1 4.36Å; F641-L839 HydrophobicContact CG-CG 4.45Å; F641-L839 HydrophobicContact CZ-CB 3.89Å; F641-T840 WeakPolarHBondContact CZ-OG1 3.44Å; F641-Y843 HydrophobicContact CD1-CD2 4.14Å; F641-Y843 HydrophobicContact CD1-CG 4.07Å; F641-Y843 HydrophobicContact CE1-CG 4.03Å |
| 642 | E | 89.2 | Confident | 88 | Confident | 98 Ų | 98 | 25.9 Ų | 25.9 | 46% | 0.458 | 14% | 0.136 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -67.1 | 130.1 | 170.9 | -64.3 | -176 | -151.6 | 0 | 0 | 109.7 | R597 | R597-E642 IonicContact CZ-OE2 2.64Å; R597-E642 IonicContact NH1-OE2 2.61Å; R597-E642 PolarHBondContact NH1-OE2 2.91Å |
| 643 | A | 90 | Very high | 88.1 | Confident | 12 Ų | 12 | 29.6 Ų | 29.6 | 10% | 0.099 | 16% | 0.156 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -148.6 | 149.7 | 177.8 | 0 | 0 | 0 | 0 | 0 | 111.4 | T630 I632 F641 Q664 | T630-A643 PolarHBondContact N-O 3.42Å; T630-A643 PolarHBondContact O-N 3.19Å; I632-A643 HydrophobicContact CD1-CB 3.59Å; I632-A643 HydrophobicContact CG1-CB 3.95Å; F641-A643 PolarHBondContact O-N 2.76Å; A643-Q664 HydrophobicContact CB-CG 4.26Å |
| 644 | S | 93.7 | Very high | 88.4 | Confident | 29 Ų | 29 | 32.8 Ų | 32.8 | 20% | 0.203 | 17% | 0.168 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -92.8 | 136.1 | 164.4 | -55 | 0 | 0 | 0 | 0 | 108.7 | D629 W665 | D629-S644 WeakPolarHBondContact OD1-CB 3.39Å; D629-S644 PolarHBondContact OD1-OG 3.07Å; S644-W665 PolarHBondContact O-N 3.33Å |
| 645 | K | 95 | Very high | 89.1 | Confident | 11 Ų | 11 | 32.7 Ų | 32.7 | 5% | 0.048 | 17% | 0.168 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.8 | 141.6 | 171.2 | -70.2 | -177.8 | -169.6 | 163.4 | 0 | 109.4 | Y557 E594 D627 M628 T630 Y647 A662 I663 | Y557-K645 PolarHBondContact OH-NZ 3.29Å; E594-K645 IonicContact OE2-NZ 2.7Å; D627-K645 WeakPolarHBondContact CA-O 3.46Å; M628-K645 PolarHBondContact N-O 3.05Å; M628-K645 PolarHBondContact O-N 3.11Å; T630-K645 HydrophobicContact CG2-CB 4.36Å; T630-K645 HydrophobicContact CG2-CD 3.69Å; T630-K645 HydrophobicContact CG2-CG 3.77Å; K645-Y647 HydrophobicContact CB-CD2 4.31Å; K645-Y647 HydrophobicContact CB-CE2 3.6Å; K645-A662 HydrophobicContact CD-CB 4.42Å; K645-I663 CarbonylContact C-O 3.54Å; K645-I663 VanDerWaalsContact CA-O 3.29Å; K645-I663 WeakPolarHBondContact CA-O 3.47Å |
| 646 | K | 96.8 | Very high | 90.3 | Very high | 10 Ų | 10 | 31.5 Ų | 31.5 | 4% | 0.043 | 16% | 0.163 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.5 | 121.7 | 167.1 | -173.5 | 162.8 | -168.8 | 169.1 | 0 | 108.5 | E72 S625 L626 D627 F648 I663 W665 | E72-K646 IonicContact OE2-NZ 2.95Å; E72-K646 PolarHBondContact OE2-NZ 2.65Å; S625-K646 VanDerWaalsContact OG-CE 3.28Å; S625-K646 WeakPolarHBondContact OG-CE 3.2Å; L626-K646 CarbonylContact O-C 3.52Å; L626-K646 WeakPolarHBondContact O-CA 3.39Å; D627-K646 WeakPolarHBondContact OD1-CB 3.44Å; D627-K646 WeakPolarHBondContact OD1-CD 3.47Å; D627-K646 WeakPolarHBondContact OD1-CE 3.38Å; D627-K646 WeakPolarHBondContact OD1-CG 3.32Å; K646-F648 HydrophobicContact CB-CE2 4.05Å; K646-F648 HydrophobicContact CD-CE2 4.12Å; K646-F648 HydrophobicContact CD-CZ 3.83Å; K646-F648 HydrophobicContact CG-CD2 4.34Å; K646-F648 HydrophobicContact CG-CE2 3.68Å; K646-F648 HydrophobicContact CG-CZ 3.89Å; K646-I663 PolarHBondContact N-O 3.47Å; K646-I663 PolarHBondContact O-N 2.77Å; K646-W665 HydrophobicContact CB-CB 3.76Å; K646-W665 HydrophobicContact CB-CD2 3.66Å; K646-W665 HydrophobicContact CB-CE3 3.9Å; K646-W665 HydrophobicContact CB-CG 3.6Å; K646-W665 HydrophobicContact CD-CD2 3.77Å; K646-W665 HydrophobicContact CD-CE3 4.14Å; K646-W665 HydrophobicContact CD-CG 4.27Å; K646-W665 HydrophobicContact CD-CH2 4.12Å; K646-W665 HydrophobicContact CD-CZ2 3.72Å; K646-W665 HydrophobicContact CD-CZ3 4.31Å; K646-W665 HydrophobicContact CG-CD2 4.35Å |
| 647 | Y | 97.4 | Very high | 91.7 | Very high | 0 Ų | 0 | 26.6 Ų | 26.6 | 0% | 0 | 14% | 0.137 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -98.1 | 120.9 | -178.9 | -64.6 | -93.5 | 0 | 0 | 0 | 108.7 | F559 E594 L614 S625 L626 M628 K645 L661 A662 | F559-Y647 AromaticContact CE1-CD1 3.83Å; F559-Y647 HydrophobicContact CE1-CD1 3.83Å; F559-Y647 HydrophobicContact CE1-CE1 4.17Å; F559-Y647 AromaticContact CZ-CD1 3.79Å; F559-Y647 HydrophobicContact CZ-CD1 3.79Å; F559-Y647 HydrophobicContact CZ-CE1 4.2Å; E594-Y647 HydrophobicContact CG-CE1 4.17Å; E594-Y647 WeakPolarHBondContact OE1-CE1 3.34Å; E594-Y647 PolarHBondContact OE2-OH 3.03Å; L614-Y647 HydrophobicContact CD1-CD1 4.19Å; L614-Y647 HydrophobicContact CD1-CG 4.04Å; L614-Y647 HydrophobicContact CD2-CD1 4.08Å; L614-Y647 HydrophobicContact CD2-CD2 4.49Å; L614-Y647 HydrophobicContact CD2-CE1 4.03Å; L614-Y647 HydrophobicContact CD2-CE2 4.47Å; L614-Y647 HydrophobicContact CD2-CG 4.29Å; S625-Y647 CarbonylContact C-O 3.49Å; S625-Y647 WeakPolarHBondContact CA-O 3.4Å; L626-Y647 PolarHBondContact N-O 2.84Å; L626-Y647 PolarHBondContact O-N 2.82Å; M628-Y647 HydrophobicContact CB-CD2 4.18Å; M628-Y647 HydrophobicContact CB-CE2 3.77Å; M628-Y647 HydrophobicContact CG-CE2 4.1Å; M628-Y647 HydrophobicContact SD-CE2 4.2Å; K645-Y647 HydrophobicContact CB-CD2 4.31Å; K645-Y647 HydrophobicContact CB-CE2 3.6Å; Y647-L661 WeakPolarHBondContact CA-O 3.26Å; Y647-A662 HydrophobicContact CD1-CB 3.92Å; Y647-A662 HydrophobicContact CE1-CB 3.75Å |
| 648 | F | 98 | Very high | 92.8 | Very high | 4 Ų | 4 | 24.7 Ų | 24.7 | 2% | 0.018 | 13% | 0.129 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -101.6 | 121.3 | 174 | -62.9 | -100.8 | 0 | 0 | 0 | 108.2 | E72 A75 L79 K646 G660 L661 I663 W665 | E72-F648 HydrophobicContact CB-CE1 4.38Å; E72-F648 HydrophobicContact CG-CE1 3.5Å; E72-F648 HydrophobicContact CG-CZ 3.99Å; A75-F648 HydrophobicContact CB-CD1 4.13Å; A75-F648 HydrophobicContact CB-CD2 3.93Å; A75-F648 HydrophobicContact CB-CE1 3.65Å; A75-F648 HydrophobicContact CB-CE2 3.48Å; A75-F648 VanDerWaalsContact CB-CE2 3.48Å; A75-F648 HydrophobicContact CB-CG 4.24Å; A75-F648 HydrophobicContact CB-CZ 3.33Å; L79-F648 HydrophobicContact CD2-CB 3.79Å; L79-F648 WeakPolarHBondContact CD2-O 3.31Å; K646-F648 HydrophobicContact CB-CE2 4.05Å; K646-F648 HydrophobicContact CD-CE2 4.12Å; K646-F648 HydrophobicContact CD-CZ 3.83Å; K646-F648 HydrophobicContact CG-CD2 4.34Å; K646-F648 HydrophobicContact CG-CE2 3.68Å; K646-F648 HydrophobicContact CG-CZ 3.89Å; F648-G660 CarbonylContact O-C 3.55Å; F648-G660 WeakPolarHBondContact O-CA 3.27Å; F648-L661 HydrophobicContact CB-CB 4.27Å; F648-L661 PolarHBondContact N-O 3.12Å; F648-L661 PolarHBondContact O-N 3.16Å; F648-I663 HydrophobicContact CD2-CG1 4.09Å; F648-I663 HydrophobicContact CE2-CB 4.27Å; F648-I663 HydrophobicContact CE2-CG1 3.96Å; F648-W665 HydrophobicContact CE2-CZ3 4.33Å; F648-W665 HydrophobicContact CZ-CH2 4.32Å; F648-W665 HydrophobicContact CZ-CZ3 4.08Å |
| 649 | I | 98 | Very high | 94 | Very high | 1 Ų | 1 | 21.6 Ų | 21.6 | 1% | 0.005 | 12% | 0.115 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.7 | 134.6 | -168.5 | -54.8 | 170.5 | 0 | 0 | 0 | 108.6 | L614 A617 M618 E622 K623 T624 L626 T658 L659 | L614-I649 HydrophobicContact CD1-CD1 3.6Å; L614-I649 HydrophobicContact CD1-CG1 4.37Å; A617-I649 HydrophobicContact CB-CD1 3.97Å; M618-I649 HydrophobicContact CG-CD1 3.98Å; M618-I649 HydrophobicContact CG-CG1 4.39Å; M618-I649 HydrophobicContact CG-CG2 3.96Å; E622-I649 WeakPolarHBondContact O-CG2 3.34Å; K623-I649 WeakPolarHBondContact CA-O 3.33Å; T624-I649 HydrophobicContact CG2-CB 4.48Å; T624-I649 HydrophobicContact CG2-CD1 4.33Å; T624-I649 PolarHBondContact N-O 3.07Å; T624-I649 VanDerWaalsContact N-O 3.1Å; T624-I649 PolarHBondContact O-N 3Å; L626-I649 HydrophobicContact CD1-CD1 3.76Å; L626-I649 HydrophobicContact CG-CD1 4.44Å; I649-T658 HydrophobicContact CG2-CG2 3.33Å; I649-L659 WeakPolarHBondContact CA-O 3.43Å |
| 650 | A | 98 | Very high | 94.9 | Very high | 3 Ų | 3 | 21.5 Ų | 21.5 | 3% | 0.025 | 12% | 0.115 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -150 | 139.3 | 171.9 | 0 | 0 | 0 | 0 | 0 | 110.7 | L79 V83 K623 L659 | L79-A650 HydrophobicContact CD2-CB 3.71Å; L79-A650 HydrophobicContact CG-CB 4.17Å; V83-A650 HydrophobicContact CG2-CB 3.95Å; K623-A650 HydrophobicContact CD-CB 4.5Å; K623-A650 HydrophobicContact CG-CB 4.22Å; A650-L659 PolarHBondContact N-O 3.34Å; A650-L659 PolarHBondContact O-N 2.5Å |
| 651 | P | 97.9 | Very high | 95.3 | Very high | 28 Ų | 28 | 21.5 Ų | 21.5 | 18% | 0.182 | 12% | 0.115 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -69.4 | 152.9 | 173.3 | 30.4 | -35.1 | 0 | 0 | 0 | 111.5 | R621 | R621-P651 HydrophobicContact CB-CB 4.05Å |
| 652 | I | 96.5 | Very high | 95.7 | Very high | 0 Ų | 0 | 21.1 Ų | 21.1 | 0% | 0 | 11% | 0.113 | C | C | . | . | P | Polyproline II helix | trans | -98.1 | 117.8 | 167.2 | -57.6 | 169.4 | 0 | 0 | 0 | 107.5 | L86 E87 V90 R621 T655 F657 L659 | L86-I652 HydrophobicContact CB-CD1 4.23Å; L86-I652 HydrophobicContact CB-CG2 4.43Å; L86-I652 HydrophobicContact CD1-CD1 3.53Å; L86-I652 HydrophobicContact CD1-CG1 4.35Å; L86-I652 HydrophobicContact CG-CD1 4.48Å; E87-I652 HydrophobicContact CG-CG2 4.13Å; V90-I652 HydrophobicContact CG2-CG2 4.24Å; R621-I652 PolarHBondContact NH2-O 2.94Å; R621-I652 VanDerWaalsContact NH2-O 3.08Å; I652-T655 WeakPolarHBondContact CB-OG1 3.29Å; I652-T655 HydrophobicContact CG2-CG2 4.03Å; I652-T655 PolarHBondContact O-N 3.26Å; I652-T655 PolarHBondContact O-OG1 2.81Å; I652-F657 HydrophobicContact CD1-CB 4.21Å; I652-F657 PolarHBondContact N-O 3.09Å; I652-L659 HydrophobicContact CD1-CB 4.24Å; I652-L659 HydrophobicContact CD1-CD1 4.43Å; I652-L659 HydrophobicContact CG1-CB 4.17Å |
| 653 | D | 92.8 | Very high | 96 | Very high | 96 Ų | 96 | 16.5 Ų | 16.5 | 51% | 0.513 | 9% | 0.091 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -61.1 | 149.1 | -178.7 | -78.5 | -13.2 | 0 | 0 | 0 | 112 | T655 | D653-T655 PolarHBondContact O-N 3.03Å; D653-T655 VanDerWaalsContact O-N 3.13Å |
| 654 | Q | 90.8 | Very high | 96.2 | Very high | 113 Ų | 113 | 16.4 Ų | 16.4 | 53% | 0.528 | 9% | 0.089 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 62.9 | 7.6 | -176.2 | -49.9 | -179 | 20.4 | 0 | 0 | 116.5 | V90 N91 W446 | V90-Q654 HydrophobicContact CG1-CB 4.22Å; N91-Q654 PolarHBondContact OD1-NE2 3.16Å; N91-Q654 PolarHBondContact OD1-OE1 2.86Å; W446-Q654 PolarHBondContact NE1-O 3.4Å |
| 655 | T | 95.6 | Very high | 96.2 | Very high | 7 Ų | 7 | 15.4 Ų | 15.4 | 4% | 0.043 | 8% | 0.08 | C | C | . | . | S | Bend | trans | -125 | 161.7 | 172.6 | 75.4 | 0 | 0 | 0 | 0 | 110.2 | V90 W446 R621 I652 D653 F657 | V90-T655 HydrophobicContact CB-CG2 4.18Å; V90-T655 HydrophobicContact CG1-CG2 3.54Å; V90-T655 HydrophobicContact CG2-CG2 3.5Å; W446-T655 HydrophobicContact CD2-CG2 4.12Å; W446-T655 HydrophobicContact CG-CG2 4.45Å; W446-T655 HydrophobicContact CZ2-CG2 4.12Å; R621-T655 PolarHBondContact NH2-O 2.99Å; I652-T655 WeakPolarHBondContact CB-OG1 3.29Å; I652-T655 HydrophobicContact CG2-CG2 4.03Å; I652-T655 PolarHBondContact O-N 3.26Å; I652-T655 PolarHBondContact O-OG1 2.81Å; D653-T655 PolarHBondContact O-N 3.03Å; D653-T655 VanDerWaalsContact O-N 3.13Å; T655-F657 HydrophobicContact CG2-CD2 4.14Å; T655-F657 PolarHBondContact O-N 2.78Å; T655-F657 WeakPolarHBondContact OG1-CB 3.46Å; T655-F657 PolarHBondContact OG1-N 2.78Å; T655-F657 VanDerWaalsContact OG1-N 3.12Å |
| 656 | P | 94.4 | Very high | 96 | Very high | 31 Ų | 31 | 17.1 Ų | 17.1 | 20% | 0.201 | 9% | 0.09 | C | C | . | . | S | Bend | trans | -78.4 | 5.8 | 168.1 | 32.5 | -32.4 | 0 | 0 | 0 | 112.7 | W446 N563 | W446-P656 HydrophobicContact CB-CG 3.98Å; N563-P656 HydrophobicContact CB-CB 4Å; N563-P656 PolarHBondContact N-O 2.84Å; N563-P656 WeakPolarHBondContact OD1-CB 3.4Å |
| 657 | F | 97.2 | Very high | 95.4 | Very high | 1 Ų | 1 | 19.4 Ų | 19.4 | 0% | 0.004 | 11% | 0.107 | C | C | . | . | trans | -90.6 | 147.5 | -168.9 | -50.3 | -33.6 | 0 | 0 | 0 | 112.4 | W446 T447 T509 F543 V561 D562 L568 I652 T655 | W446-F657 HydrophobicContact CB-CE1 4.18Å; W446-F657 HydrophobicContact CB-CE2 4.17Å; W446-F657 HydrophobicContact CB-CZ 3.65Å; W446-F657 HydrophobicContact CD2-CE2 4.1Å; W446-F657 HydrophobicContact CD2-CZ 4.41Å; W446-F657 AromaticContact CE3-CE2 3.64Å; W446-F657 HydrophobicContact CE3-CE2 3.64Å; W446-F657 HydrophobicContact CE3-CZ 4.06Å; W446-F657 HydrophobicContact CG-CE2 4.33Å; W446-F657 HydrophobicContact CG-CZ 4.29Å; W446-F657 HydrophobicContact CZ3-CE2 4.35Å; T447-F657 WeakPolarHBondContact O-CZ 3.45Å; T509-F657 HydrophobicContact CG2-CE2 4.48Å; F543-F657 HydrophobicContact CE2-CD2 4.27Å; F543-F657 HydrophobicContact CE2-CE2 4.23Å; V561-F657 VanDerWaalsContact O-CA 3.32Å; V561-F657 WeakPolarHBondContact O-CA 3.35Å; D562-F657 HydrophobicContact CB-CD1 4.27Å; D562-F657 HydrophobicContact CB-CE1 4.41Å; L568-F657 HydrophobicContact CD1-CB 4.03Å; L568-F657 HydrophobicContact CD1-CD1 3.46Å; L568-F657 VanDerWaalsContact CD1-CD1 3.46Å; L568-F657 HydrophobicContact CD1-CD2 3.83Å; L568-F657 HydrophobicContact CD1-CE1 3.72Å; L568-F657 HydrophobicContact CD1-CE2 4.08Å; L568-F657 HydrophobicContact CD1-CG 3.5Å; L568-F657 HydrophobicContact CD1-CZ 4.01Å; L568-F657 HydrophobicContact CD2-CD1 4.43Å; L568-F657 HydrophobicContact CD2-CE1 3.97Å; L568-F657 HydrophobicContact CD2-CZ 4.29Å; L568-F657 HydrophobicContact CG-CD1 4.42Å; L568-F657 HydrophobicContact CG-CE1 4.43Å; I652-F657 HydrophobicContact CD1-CB 4.21Å; I652-F657 PolarHBondContact N-O 3.09Å; T655-F657 HydrophobicContact CG2-CD2 4.14Å; T655-F657 PolarHBondContact O-N 2.78Å; T655-F657 WeakPolarHBondContact OG1-CB 3.46Å; T655-F657 PolarHBondContact OG1-N 2.78Å; T655-F657 VanDerWaalsContact OG1-N 3.12Å | ||
| 658 | T | 98 | Very high | 95 | Very high | 0 Ų | 0 | 26.4 Ų | 26.4 | 0% | 0 | 15% | 0.145 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.8 | 130.7 | 170.7 | -58.2 | 0 | 0 | 0 | 0 | 109.4 | A560 V561 M618 I649 | A560-T658 WeakPolarHBondContact CA-O 3.36Å; V561-T658 PolarHBondContact N-O 3.22Å; V561-T658 PolarHBondContact O-N 3.15Å; M618-T658 HydrophobicContact CB-CG2 4.23Å; M618-T658 HydrophobicContact CE-CG2 4.15Å; M618-T658 HydrophobicContact CG-CG2 4.36Å; M618-T658 WeakPolarHBondContact O-CB 3.48Å; M618-T658 PolarHBondContact O-OG1 3.15Å; I649-T658 HydrophobicContact CG2-CG2 3.33Å |
| 659 | L | 97.9 | Very high | 94.6 | Very high | 0 Ų | 0 | 30 Ų | 30 | 0% | 0 | 17% | 0.168 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -95.1 | 135.5 | -179.9 | -163.9 | 68 | 0 | 0 | 0 | 109.9 | L79 A82 V83 L86 L558 F559 A560 F569 I649 A650 I652 | L79-L659 HydrophobicContact CD1-CB 4.35Å; L79-L659 HydrophobicContact CD1-CD2 3.78Å; L79-L659 HydrophobicContact CD1-CG 4Å; A82-L659 HydrophobicContact CB-CD2 4Å; V83-L659 HydrophobicContact CG2-CB 4.43Å; V83-L659 HydrophobicContact CG2-CD2 3.67Å; L86-L659 HydrophobicContact CD1-CD1 3.68Å; L86-L659 HydrophobicContact CD1-CD2 3.69Å; L86-L659 HydrophobicContact CD1-CG 4.3Å; L558-L659 HydrophobicContact CD1-CD1 3.89Å; L558-L659 HydrophobicContact CD1-CD2 3.86Å; L558-L659 HydrophobicContact CD1-CG 3.74Å; L558-L659 HydrophobicContact CD2-CD1 3.96Å; L558-L659 HydrophobicContact CD2-CD2 4.49Å; L558-L659 HydrophobicContact CG-CD1 3.82Å; L558-L659 HydrophobicContact CG-CG 4.25Å; F559-L659 WeakPolarHBondContact O-CD1 3.44Å; A560-L659 HydrophobicContact CB-CD1 4.04Å; F569-L659 HydrophobicContact CZ-CD1 4.17Å; I649-L659 WeakPolarHBondContact CA-O 3.43Å; A650-L659 PolarHBondContact N-O 3.34Å; A650-L659 PolarHBondContact O-N 2.5Å; I652-L659 HydrophobicContact CD1-CB 4.24Å; I652-L659 HydrophobicContact CD1-CD1 4.43Å; I652-L659 HydrophobicContact CG1-CB 4.17Å |
| 660 | G | 97.2 | Very high | 94.2 | Very high | 0 Ų | 0 | 34.5 Ų | 34.5 | 0% | 0 | 19% | 0.188 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.4 | 134.9 | 174.3 | 0 | 0 | 0 | 0 | 0 | 111.1 | L558 F559 F648 | L558-G660 WeakPolarHBondContact CA-O 3.18Å; F559-G660 VanDerWaalsContact CD1-O 3.23Å; F559-G660 WeakPolarHBondContact CD1-O 3.09Å; F559-G660 PolarHBondContact N-O 2.71Å; F559-G660 PolarHBondContact O-N 2.89Å; F648-G660 CarbonylContact O-C 3.55Å; F648-G660 WeakPolarHBondContact O-CA 3.27Å |
| 661 | L | 97.8 | Very high | 93.9 | Very high | 0 Ų | 0 | 37.9 Ų | 37.9 | 0% | 0 | 20% | 0.203 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.7 | 111 | 167.5 | 172.3 | 64.3 | 0 | 0 | 0 | 108.1 | A75 L79 L547 I552 L558 Y647 F648 I663 | A75-L661 WeakPolarHBondContact O-CD2 3.29Å; L79-L661 HydrophobicContact CB-CB 4.48Å; L79-L661 HydrophobicContact CB-CD2 4.25Å; L79-L661 HydrophobicContact CD1-CB 3.98Å; L547-L661 HydrophobicContact CD2-CD1 4.04Å; L547-L661 HydrophobicContact CD2-CD2 4.39Å; I552-L661 HydrophobicContact CD1-CD1 3.68Å; L558-L661 HydrophobicContact CD1-CB 4.41Å; Y647-L661 WeakPolarHBondContact CA-O 3.26Å; F648-L661 HydrophobicContact CB-CB 4.27Å; F648-L661 PolarHBondContact N-O 3.12Å; F648-L661 PolarHBondContact O-N 3.16Å; L661-I663 HydrophobicContact CD1-CD1 3.84Å; L661-I663 HydrophobicContact CD2-CD1 4.08Å; L661-I663 HydrophobicContact CD2-CG1 4.33Å; L661-I663 HydrophobicContact CG-CD1 3.81Å; L661-I663 HydrophobicContact CG-CG1 4.03Å |
| 662 | A | 96.7 | Very high | 93.7 | Very high | 0 Ų | 0 | 36.9 Ų | 36.9 | 0% | 0 | 20% | 0.197 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -89 | 120.9 | 175.4 | 0 | 0 | 0 | 0 | 0 | 109.5 | N556 Y557 F559 K645 Y647 | N556-A662 VanDerWaalsContact CA-O 3.28Å; N556-A662 WeakPolarHBondContact CA-O 3.42Å; Y557-A662 HydrophobicContact CD2-CB 4.04Å; Y557-A662 HydrophobicContact CE1-CB 4.1Å; Y557-A662 HydrophobicContact CE2-CB 3.57Å; Y557-A662 HydrophobicContact CG-CB 4.47Å; Y557-A662 PolarHBondContact N-O 3.38Å; Y557-A662 VanDerWaalsContact N-O 3.13Å; Y557-A662 PolarHBondContact O-N 3.31Å; F559-A662 HydrophobicContact CD1-CB 4.49Å; F559-A662 HydrophobicContact CE1-CB 4.1Å; K645-A662 HydrophobicContact CD-CB 4.42Å; Y647-A662 HydrophobicContact CD1-CB 3.92Å; Y647-A662 HydrophobicContact CE1-CB 3.75Å |
| 663 | I | 96 | Very high | 93.3 | Very high | 1 Ų | 1 | 40.8 Ų | 40.8 | 1% | 0.005 | 21% | 0.213 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.6 | 127.4 | 175.5 | -58 | -60.7 | 0 | 0 | 0 | 109.1 | I70 A75 N556 K645 K646 F648 L661 W665 | I70-I663 HydrophobicContact CG2-CG2 4.33Å; A75-I663 HydrophobicContact CB-CG1 4.3Å; N556-I663 HydrophobicContact CB-CD1 3.87Å; N556-I663 WeakPolarHBondContact OD1-CA 3.04Å; K645-I663 CarbonylContact C-O 3.54Å; K645-I663 VanDerWaalsContact CA-O 3.29Å; K645-I663 WeakPolarHBondContact CA-O 3.47Å; K646-I663 PolarHBondContact N-O 3.47Å; K646-I663 PolarHBondContact O-N 2.77Å; F648-I663 HydrophobicContact CD2-CG1 4.09Å; F648-I663 HydrophobicContact CE2-CB 4.27Å; F648-I663 HydrophobicContact CE2-CG1 3.96Å; L661-I663 HydrophobicContact CD1-CD1 3.84Å; L661-I663 HydrophobicContact CD2-CD1 4.08Å; L661-I663 HydrophobicContact CD2-CG1 4.33Å; L661-I663 HydrophobicContact CG-CD1 3.81Å; L661-I663 HydrophobicContact CG-CG1 4.03Å; I663-W665 HydrophobicContact CB-CE3 4.47Å; I663-W665 HydrophobicContact CG2-CE3 3.99Å; I663-W665 HydrophobicContact CG2-CZ3 4.44Å; I663-W665 PolarHBondContact O-N 3.07Å |
| 664 | Q | 93.7 | Very high | 93.3 | Very high | 10 Ų | 10 | 37.4 Ų | 37.4 | 5% | 0.047 | 20% | 0.196 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -63.1 | 118.3 | 168.9 | -160.4 | -169.8 | 1.1 | 0 | 0 | 109 | N555 N556 I632 A643 G672 Y673 | N555-Q664 PolarHBondContact ND2-OE1 3.07Å; N556-Q664 PolarHBondContact OD1-N 2.94Å; I632-Q664 HydrophobicContact CD1-CG 4.42Å; A643-Q664 HydrophobicContact CB-CG 4.26Å; Q664-G672 WeakPolarHBondContact O-CA 3.16Å; Q664-Y673 HydrophobicContact CB-CD2 3.88Å; Q664-Y673 HydrophobicContact CB-CE2 4.15Å; Q664-Y673 HydrophobicContact CG-CD2 3.82Å; Q664-Y673 HydrophobicContact CG-CE2 3.56Å; Q664-Y673 PolarHBondContact O-N 3.29Å |
| 665 | W | 94.1 | Very high | 93.4 | Very high | 7 Ų | 7 | 32.1 Ų | 32.1 | 3% | 0.027 | 17% | 0.171 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.2 | 134.9 | -162.3 | -162.7 | -103.7 | 0 | 0 | 0 | 111.3 | E72 S644 K646 F648 I663 Q670 | E72-W665 HydrophobicContact CB-CH2 4.34Å; S644-W665 PolarHBondContact O-N 3.33Å; K646-W665 HydrophobicContact CB-CB 3.76Å; K646-W665 HydrophobicContact CB-CD2 3.66Å; K646-W665 HydrophobicContact CB-CE3 3.9Å; K646-W665 HydrophobicContact CB-CG 3.6Å; K646-W665 HydrophobicContact CD-CD2 3.77Å; K646-W665 HydrophobicContact CD-CE3 4.14Å; K646-W665 HydrophobicContact CD-CG 4.27Å; K646-W665 HydrophobicContact CD-CH2 4.12Å; K646-W665 HydrophobicContact CD-CZ2 3.72Å; K646-W665 HydrophobicContact CD-CZ3 4.31Å; K646-W665 HydrophobicContact CG-CD2 4.35Å; F648-W665 HydrophobicContact CE2-CZ3 4.33Å; F648-W665 HydrophobicContact CZ-CH2 4.32Å; F648-W665 HydrophobicContact CZ-CZ3 4.08Å; I663-W665 HydrophobicContact CB-CE3 4.47Å; I663-W665 HydrophobicContact CG2-CE3 3.99Å; I663-W665 HydrophobicContact CG2-CZ3 4.44Å; I663-W665 PolarHBondContact O-N 3.07Å; W665-Q670 WeakPolarHBondContact CZ2-O 3.41Å |
| 666 | D | 90.9 | Very high | 93.3 | Very high | 47 Ų | 47 | 31.9 Ų | 31.9 | 25% | 0.251 | 17% | 0.17 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -96.9 | 108.4 | 169.2 | 174.6 | 11.6 | 0 | 0 | 0 | 109.2 | N668 T669 Q670 K671 | D666-N668 PolarHBondContact O-N 3.09Å; D666-N668 WeakPolarHBondContact OD1-CB 3.49Å; D666-N668 PolarHBondContact OD1-N 2.95Å; D666-N668 PolarHBondContact OD1-ND2 3.47Å; D666-T669 WeakPolarHBondContact CB-OG1 3.22Å; D666-T669 PolarHBondContact O-N 3.39Å; D666-T669 VanDerWaalsContact OD2-CG2 3.24Å; D666-T669 WeakPolarHBondContact OD2-CG2 3.37Å; D666-T669 PolarHBondContact OD2-OG1 3.5Å; D666-Q670 WeakPolarHBondContact O-CA 3.4Å; D666-Q670 PolarHBondContact O-N 3.14Å; D666-K671 PolarHBondContact N-O 2.03Å; D666-K671 PolarHBondContact O-N 3.28Å |
| 667 | S | 85.3 | Confident | 93.3 | Very high | 58 Ų | 58 | 33.6 Ų | 33.6 | 41% | 0.406 | 18% | 0.175 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -64.2 | -23.9 | -178.8 | 55 | 0 | 0 | 0 | 0 | 113.3 | Q670 | S667-Q670 PolarHBondContact O-NE2 3.46Š|
| 668 | N | 87.6 | Confident | 93.1 | Very high | 147 Ų | 147 | 34.4 Ų | 34.4 | 79% | 0.786 | 18% | 0.178 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -76.2 | -42.4 | 179.1 | -58.1 | -62.5 | 0 | 0 | 0 | 111.6 | D666 | D666-N668 PolarHBondContact O-N 3.09Å; D666-N668 WeakPolarHBondContact OD1-CB 3.49Å; D666-N668 PolarHBondContact OD1-N 2.95Å; D666-N668 PolarHBondContact OD1-ND2 3.47Å |
| 669 | T | 89.6 | Confident | 92.9 | Very high | 81 Ų | 81 | 40 Ų | 40 | 50% | 0.497 | 20% | 0.199 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -90.3 | -12.3 | -179.6 | 57.6 | 0 | 0 | 0 | 0 | 113 | D666 K671 | D666-T669 WeakPolarHBondContact CB-OG1 3.22Å; D666-T669 PolarHBondContact O-N 3.39Å; D666-T669 VanDerWaalsContact OD2-CG2 3.24Å; D666-T669 WeakPolarHBondContact OD2-CG2 3.37Å; D666-T669 PolarHBondContact OD2-OG1 3.5Å; T669-K671 PolarHBondContact O-N 3.31Å |
| 670 | Q | 90.8 | Very high | 92.5 | Very high | 94 Ų | 94 | 42.8 Ų | 42.8 | 44% | 0.439 | 21% | 0.211 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 55.2 | 41 | -173.7 | -67.9 | -67 | -39.1 | 0 | 0 | 111.8 | W665 D666 S667 | W665-Q670 WeakPolarHBondContact CZ2-O 3.41Å; D666-Q670 WeakPolarHBondContact O-CA 3.4Å; D666-Q670 PolarHBondContact O-N 3.14Å; S667-Q670 PolarHBondContact O-NE2 3.46Å |
| 671 | K | 92 | Very high | 92.1 | Very high | 75 Ų | 75 | 46.8 Ų | 46.8 | 33% | 0.326 | 23% | 0.233 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -139.8 | 150.7 | -179.3 | -66.1 | -179.3 | -175.6 | -175.3 | 0 | 110.1 | E69 D666 T669 | E69-K671 IonicContact OE1-NZ 3.05Å; E69-K671 IonicContact OE2-NZ 3.51Å; E69-K671 PolarHBondContact OE2-NZ 3.39Å; D666-K671 PolarHBondContact N-O 2.03Å; D666-K671 PolarHBondContact O-N 3.28Å; T669-K671 PolarHBondContact O-N 3.31Å |
| 672 | G | 92.3 | Very high | 91.4 | Very high | 7 Ų | 7 | 48 Ų | 48 | 7% | 0.072 | 24% | 0.241 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -76.8 | 163.6 | 164.2 | 0 | 0 | 0 | 0 | 0 | 111.1 | I70 Q664 | I70-G672 PolarHBondContact O-N 2.76Å; Q664-G672 WeakPolarHBondContact O-CA 3.16Å |
| 673 | Y | 89.4 | Confident | 90.7 | Very high | 81 Ų | 81 | 55 Ų | 55 | 32% | 0.318 | 27% | 0.272 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -61.1 | 142 | 174.4 | -72 | -79.6 | 0 | 0 | 0 | 111.6 | Q664 R842 | Q664-Y673 HydrophobicContact CB-CD2 3.88Å; Q664-Y673 HydrophobicContact CB-CE2 4.15Å; Q664-Y673 HydrophobicContact CG-CD2 3.82Å; Q664-Y673 HydrophobicContact CG-CE2 3.56Å; Q664-Y673 PolarHBondContact O-N 3.29Å; Y673-R842 VanDerWaalsContact CD1-CZ 3.46Å; Y673-R842 VanDerWaalsContact CG-NH1 3.32Å |
| 674 | P | 91.8 | Very high | 90.2 | Very high | 25 Ų | 25 | 60.4 Ų | 60.4 | 16% | 0.162 | 30% | 0.297 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -68 | 145.1 | -178.3 | 29.2 | -35.4 | 0 | 0 | 0 | 111.1 | A67 E68 T885 | A67-P674 HydrophobicContact CB-CB 4.47Å; E68-P674 CarbonylContact O-C 3.57Å; E68-P674 VanDerWaalsContact O-CA 3.3Å; E68-P674 WeakPolarHBondContact O-CA 3.45Å; P674-T885 WeakPolarHBondContact CB-OG1 3.33Å; P674-T885 WeakPolarHBondContact CG-OG1 3.45Å |
| 675 | I | 93.4 | Very high | 89.8 | Confident | 3 Ų | 3 | 61.5 Ų | 61.5 | 2% | 0.015 | 30% | 0.303 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.1 | 153.8 | 179.7 | 56.4 | 169.7 | 0 | 0 | 0 | 111.7 | A67 E68 I70 Y78 K551 I552 E677 | A67-I675 WeakPolarHBondContact CA-O 3.46Å; E68-I675 HydrophobicContact CB-CG1 3.98Å; E68-I675 PolarHBondContact N-O 3.29Å; E68-I675 PolarHBondContact O-N 2.74Å; I70-I675 HydrophobicContact CD1-CB 4.5Å; I70-I675 HydrophobicContact CD1-CD1 4.11Å; I70-I675 HydrophobicContact CD1-CG1 4.18Å; I70-I675 HydrophobicContact CD1-CG2 3.59Å; I70-I675 HydrophobicContact CG1-CD1 4.23Å; I70-I675 HydrophobicContact CG1-CG1 4.13Å; I70-I675 HydrophobicContact CG1-CG2 4.33Å; Y78-I675 HydrophobicContact CE2-CD1 4.34Å; K551-I675 WeakPolarHBondContact O-CD1 3.35Å; I552-I675 WeakPolarHBondContact O-CG2 3.5Å; I675-E677 PolarHBondContact O-N 2.95Å |
| 676 | P | 94.1 | Very high | 89.4 | Confident | 1 Ų | 1 | 61.7 Ų | 61.7 | 1% | 0.006 | 30% | 0.304 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -58.8 | 126.6 | 177.3 | -33.2 | 42.1 | 0 | 0 | 0 | 114.2 | Y678 H804 T885 P886 M887 | P676-Y678 HydrophobicContact CB-CD2 4.29Å; P676-Y678 HydrophobicContact CB-CE2 3.68Å; P676-H804 HydrophobicContact CB-CB 4.46Å; P676-H804 HydrophobicContact CG-CB 3.93Å; P676-H804 VanDerWaalsContact CG-CD2 3.49Å; P676-H804 WeakPolarHBondContact CG-CD2 3.43Å; P676-T885 HydrophobicContact CB-CG2 4.49Å; P676-T885 HydrophobicContact CG-CG2 3.85Å; P676-P886 WeakPolarHBondContact CG-O 3.37Å; P676-M887 HydrophobicContact CB-CE 3.94Å; P676-M887 HydrophobicContact CB-SD 3.6Å; P676-M887 VanDerWaalsContact CB-SD 3.6Å; P676-M887 HydrophobicContact CG-CE 4.49Å; P676-M887 HydrophobicContact CG-SD 3.72Å |
| 677 | E | 93 | Very high | 89.1 | Confident | 67 Ų | 67 | 64.5 Ų | 64.5 | 31% | 0.313 | 32% | 0.319 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.6 | 129.5 | 168.8 | -170.4 | -165.3 | -176.6 | 0 | 0 | 109.2 | F65 G66 I675 R679 | F65-E677 CarbonylContact C-O 3.57Å; F65-E677 WeakPolarHBondContact CA-O 3.24Å; G66-E677 PolarHBondContact N-O 3.04Å; G66-E677 PolarHBondContact O-N 3.31Å; I675-E677 PolarHBondContact O-N 2.95Å; E677-R679 HydrophobicContact CG-CG 4.3Å; E677-R679 IonicContact OE1-NE 2.78Å; E677-R679 IonicContact OE2-CZ 3.36Å; E677-R679 VanDerWaalsContact OE2-CZ 3.31Å; E677-R679 IonicContact OE2-NE 3.06Å; E677-R679 PolarHBondContact OE2-NE 3.28Å; E677-R679 IonicContact OE2-NH2 3.38Å; E677-R679 PolarHBondContact OE2-NH2 3.14Å |
| 678 | Y | 93.7 | Very high | 89 | Confident | 18 Ų | 18 | 66.6 Ų | 66.6 | 7% | 0.071 | 33% | 0.326 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.1 | 120.4 | 176.1 | -71.3 | -113.1 | 0 | 0 | 0 | 109 | F65 P676 R767 L770 D771 S805 | F65-Y678 HydrophobicContact CD1-CD1 4.14Å; F65-Y678 HydrophobicContact CD1-CE1 4.19Å; F65-Y678 AromaticContact CE1-CD1 3.85Å; F65-Y678 HydrophobicContact CE1-CD1 3.85Å; F65-Y678 AromaticContact CE1-CE1 3.73Å; F65-Y678 HydrophobicContact CE1-CE1 3.73Å; P676-Y678 HydrophobicContact CB-CD2 4.29Å; P676-Y678 HydrophobicContact CB-CE2 3.68Å; Y678-R767 HydrophobicContact CD1-CB 3.97Å; Y678-R767 HydrophobicContact CD1-CG 3.95Å; Y678-R767 HydrophobicContact CD2-CG 3.94Å; Y678-R767 HydrophobicContact CE1-CB 4.17Å; Y678-R767 HydrophobicContact CE1-CG 4.49Å; Y678-R767 HydrophobicContact CE2-CG 4.49Å; Y678-R767 HydrophobicContact CG-CB 4.21Å; Y678-R767 HydrophobicContact CG-CG 3.67Å; Y678-L770 HydrophobicContact CD1-CD2 4.05Å; Y678-D771 WeakPolarHBondContact CE1-OD1 3.42Å; Y678-D771 PolarHBondContact OH-OD2 2.93Å; Y678-S805 PolarHBondContact OH-N 3.09Å |
| 679 | R | 93.4 | Very high | 89 | Confident | 118 Ų | 118 | 60.4 Ų | 60.4 | 45% | 0.445 | 29% | 0.293 | S | S | . | . | trans | -105.2 | 98.4 | -173.2 | -63.3 | 174.5 | -178 | 158.9 | 4.2 | 110.2 | A63 N64 E677 | A63-R679 WeakPolarHBondContact O-CD 3.26Å; N64-R679 PolarHBondContact O-N 2.95Å; E677-R679 HydrophobicContact CG-CG 4.3Å; E677-R679 IonicContact OE1-NE 2.78Å; E677-R679 IonicContact OE2-CZ 3.36Å; E677-R679 VanDerWaalsContact OE2-CZ 3.31Å; E677-R679 IonicContact OE2-NE 3.06Å; E677-R679 PolarHBondContact OE2-NE 3.28Å; E677-R679 IonicContact OE2-NH2 3.38Å; E677-R679 PolarHBondContact OE2-NH2 3.14Å | ||
| 680 | F | 90.5 | Very high | 89 | Confident | 58 Ų | 58 | 62.7 Ų | 62.7 | 25% | 0.254 | 30% | 0.297 | S | S | . | . | trans | -148.2 | 155.2 | 176.8 | 59.4 | -87.9 | 0 | 0 | 0 | 111.4 | L685 R767 L770 | F680-L685 HydrophobicContact CD2-CD2 4.26Å; F680-R767 HydrophobicContact CE1-CG 3.91Å; F680-R767 HydrophobicContact CZ-CG 4.23Å; F680-L770 HydrophobicContact CB-CD2 4.37Å; F680-L770 HydrophobicContact CD1-CD2 3.92Å | ||
| 681 | N | 88.8 | Confident | 88.7 | Confident | 85 Ų | 85 | 60 Ų | 60 | 46% | 0.455 | 29% | 0.288 | S | S | . | . | trans | -96.6 | 101.3 | 169.8 | 179.4 | -7.1 | 0 | 0 | 0 | 108.5 | K683 E684 L685 | N681-K683 VanDerWaalsContact C-N 3.29Å; N681-K683 PolarHBondContact O-N 3.1Å; N681-K683 PolarHBondContact OD1-N 2.92Å; N681-E684 HydrophobicContact CB-CB 3.93Å; N681-E684 WeakPolarHBondContact ND2-CB 3.48Å; N681-E684 PolarHBondContact ND2-OE2 2.93Å; N681-E684 VanDerWaalsContact ND2-OE2 3.13Å; N681-E684 PolarHBondContact O-N 3.1Å; N681-E684 PolarHBondContact OD1-N 3.33Å; N681-L685 VanDerWaalsContact O-CB 3.3Å; N681-L685 WeakPolarHBondContact O-CB 3.5Å; N681-L685 PolarHBondContact O-N 3.3Å | ||
| 682 | S | 82.7 | Confident | 88.5 | Confident | 25 Ų | 25 | 61.4 Ų | 61.4 | 18% | 0.175 | 30% | 0.299 | C | S | . | . | H | α-helix | trans | -55.9 | -40.6 | -175.7 | 56.2 | 0 | 0 | 0 | 0 | 113.3 | L685 F686 E762 | S682-L685 WeakPolarHBondContact O-CB 3.41Å; S682-L685 PolarHBondContact O-N 3.13Å; S682-F686 WeakPolarHBondContact O-CB 3.1Å; S682-F686 VanDerWaalsContact O-CD2 3.24Å; S682-F686 WeakPolarHBondContact O-CD2 3.19Å; S682-F686 VanDerWaalsContact O-CG 3.26Å; S682-F686 WeakPolarHBondContact O-CG 3.4Å; S682-F686 PolarHBondContact O-N 3.1Å; S682-E762 WeakPolarHBondContact CB-OE1 3.38Å; S682-E762 PolarHBondContact OG-OE1 3.33Å |
| 683 | K | 82.7 | Confident | 88.4 | Confident | 148 Ų | 148 | 64 Ų | 64 | 64% | 0.643 | 31% | 0.31 | S | S | * | . | H | α-helix | trans | -64.8 | -46.3 | 179 | -69.4 | -177.7 | -179 | 176.9 | 0 | 112.1 | N681 L685 N687 | N681-K683 VanDerWaalsContact C-N 3.29Å; N681-K683 PolarHBondContact O-N 3.1Å; N681-K683 PolarHBondContact OD1-N 2.92Å; K683-L685 VanDerWaalsContact C-N 3.33Å; K683-N687 VanDerWaalsContact O-CB 3.26Å; K683-N687 WeakPolarHBondContact O-CB 3.31Å; K683-N687 PolarHBondContact O-N 2.82Å; K683-N687 PolarHBondContact O-ND2 2.93Å; K683-N687 VanDerWaalsContact O-ND2 3.15Å |
| 684 | E | 84.3 | Confident | 88.5 | Confident | 114 Ų | 114 | 60.1 Ų | 60.1 | 53% | 0.533 | 30% | 0.296 | S | S | . | . | H | α-helix | trans | -67.4 | -39.2 | 178.1 | -177.2 | 178.9 | 176.4 | 0 | 0 | 111.2 | N681 N688 | N681-E684 HydrophobicContact CB-CB 3.93Å; N681-E684 WeakPolarHBondContact ND2-CB 3.48Å; N681-E684 PolarHBondContact ND2-OE2 2.93Å; N681-E684 VanDerWaalsContact ND2-OE2 3.13Å; N681-E684 PolarHBondContact O-N 3.1Å; N681-E684 PolarHBondContact OD1-N 3.33Å; E684-N688 PolarHBondContact O-ND2 3.36Å |
| 685 | L | 85.6 | Confident | 88.4 | Confident | 33 Ų | 33 | 62 Ų | 62 | 17% | 0.173 | 31% | 0.309 | C | S | . | . | H | α-helix | trans | -57 | -58 | 175.7 | -175.3 | 63.6 | 0 | 0 | 0 | 110.2 | F680 N681 S682 K683 N688 L689 Y769 | F680-L685 HydrophobicContact CD2-CD2 4.26Å; N681-L685 VanDerWaalsContact O-CB 3.3Å; N681-L685 WeakPolarHBondContact O-CB 3.5Å; N681-L685 PolarHBondContact O-N 3.3Å; S682-L685 WeakPolarHBondContact O-CB 3.41Å; S682-L685 PolarHBondContact O-N 3.13Å; K683-L685 VanDerWaalsContact C-N 3.33Å; L685-N688 PolarHBondContact O-N 3.12Å; L685-L689 WeakPolarHBondContact O-CG 3.2Å; L685-Y769 HydrophobicContact CD1-CD1 3.66Å; L685-Y769 HydrophobicContact CD1-CE1 3.57Å; L685-Y769 HydrophobicContact CD2-CD1 3.91Å; L685-Y769 HydrophobicContact CD2-CG 4.49Å; L685-Y769 HydrophobicContact CG-CD1 4.11Å; L685-Y769 HydrophobicContact CG-CE1 4.39Å |
| 686 | F | 85 | Confident | 88.3 | Confident | 10 Ų | 10 | 62.1 Ų | 62.1 | 4% | 0.044 | 31% | 0.31 | C | S | . | . | H | α-helix | trans | -74 | -30.4 | -171.9 | -61.2 | -28.8 | 0 | 0 | 0 | 114.4 | S682 N688 L689 L749 I755 E762 L765 | S682-F686 WeakPolarHBondContact O-CB 3.1Å; S682-F686 VanDerWaalsContact O-CD2 3.24Å; S682-F686 WeakPolarHBondContact O-CD2 3.19Å; S682-F686 VanDerWaalsContact O-CG 3.26Å; S682-F686 WeakPolarHBondContact O-CG 3.4Å; S682-F686 PolarHBondContact O-N 3.1Å; F686-N688 PolarHBondContact O-N 2.97Å; F686-L689 HydrophobicContact CD1-CD1 3.81Å; F686-L749 HydrophobicContact CD1-CD2 3.74Å; F686-L749 HydrophobicContact CE1-CD2 3.47Å; F686-L749 VanDerWaalsContact CE1-CD2 3.47Å; F686-L749 HydrophobicContact CG-CD2 4.45Å; F686-L749 HydrophobicContact CZ-CD2 3.95Å; F686-I755 HydrophobicContact CB-CD1 3.88Å; F686-I755 HydrophobicContact CD2-CG2 3.82Å; F686-I755 HydrophobicContact CE2-CG2 4.34Å; F686-I755 HydrophobicContact CG-CD1 4.19Å; F686-I755 HydrophobicContact CG-CG2 4.47Å; F686-E762 HydrophobicContact CE2-CG 3.97Å; F686-L765 HydrophobicContact CE1-CB 4.44Å; F686-L765 HydrophobicContact CZ-CB 3.76Å |
| 687 | N | 84.4 | Confident | 88.1 | Confident | 107 Ų | 107 | 62.4 Ų | 62.4 | 57% | 0.572 | 31% | 0.311 | S | S | * | . | H | α-helix | trans | -68.2 | -23.1 | 176.8 | -75.3 | -19.6 | 0 | 0 | 0 | 113.2 | K683 L752 | K683-N687 VanDerWaalsContact O-CB 3.26Å; K683-N687 WeakPolarHBondContact O-CB 3.31Å; K683-N687 PolarHBondContact O-N 2.82Å; K683-N687 PolarHBondContact O-ND2 2.93Å; K683-N687 VanDerWaalsContact O-ND2 3.15Å; N687-L752 WeakPolarHBondContact OD1-CD2 3.22Å |
| 688 | N | 84.1 | Confident | 87.8 | Confident | 101 Ų | 101 | 59.9 Ų | 59.9 | 54% | 0.54 | 30% | 0.302 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -104.8 | 5.6 | -175.3 | -64.7 | -31.3 | 0 | 0 | 0 | 113 | E684 L685 F686 | E684-N688 PolarHBondContact O-ND2 3.36Å; L685-N688 PolarHBondContact O-N 3.12Å; F686-N688 PolarHBondContact O-N 2.97Å |
| 689 | L | 87.8 | Confident | 87.2 | Confident | 18 Ų | 18 | 63.8 Ų | 63.8 | 9% | 0.094 | 33% | 0.33 | C | S | . | . | trans | -75.1 | 126.7 | 179.7 | -71.5 | -179.3 | 0 | 0 | 0 | 111.8 | L685 F686 D693 F694 L749 Y769 | L685-L689 WeakPolarHBondContact O-CG 3.2Å; F686-L689 HydrophobicContact CD1-CD1 3.81Å; L689-D693 HydrophobicContact CD2-CB 4.34Å; L689-F694 HydrophobicContact CD1-CZ 4.23Å; L689-L749 HydrophobicContact CD1-CB 4Å; L689-L749 HydrophobicContact CD1-CD1 4.44Å; L689-L749 HydrophobicContact CD1-CD2 4.44Å; L689-Y769 HydrophobicContact CD2-CD2 4.28Å; L689-Y769 HydrophobicContact CD2-CE1 3.96Å; L689-Y769 HydrophobicContact CD2-CE2 3.5Å; L689-Y769 VanDerWaalsContact CD2-OH 3.3Å; L689-Y769 WeakPolarHBondContact CD2-OH 3.42Å | ||
| 690 | H | 88.4 | Confident | 86.7 | Confident | 128 Ų | 128 | 62.6 Ų | 62.6 | 59% | 0.593 | 33% | 0.328 | S | S | * | . | trans | -113.8 | 162.4 | 169.5 | -62.9 | -62.1 | 0 | 0 | 0 | 111.1 | N692 D693 F694 | H690-N692 PolarHBondContact O-N 3.08Å; H690-D693 WeakPolarHBondContact CA-OD2 3.34Å; H690-D693 WeakPolarHBondContact CB-OD2 3.45Å; H690-D693 PolarHBondContact N-OD2 3.36Å; H690-D693 WeakPolarHBondContact O-CB 3.14Å; H690-D693 PolarHBondContact O-N 3.03Å; H690-F694 WeakPolarHBondContact O-CD2 3.45Å | ||
| 691 | V | 85.9 | Confident | 86.5 | Confident | 39 Ų | 39 | 60.1 Ų | 60.1 | 24% | 0.236 | 32% | 0.317 | C | S | . | . | G | 310 helix | trans | -53.3 | -41.9 | -179.7 | -179.2 | 0 | 0 | 0 | 0 | 111.5 | D693 F694 Q704 R746 L750 | V691-D693 PolarHBondContact O-N 3.14Å; V691-F694 PolarHBondContact O-N 2.74Å; V691-Q704 HydrophobicContact CG1-CG 4.47Å; V691-R746 VanDerWaalsContact CG1-NH2 3.35Å; V691-L750 HydrophobicContact CG2-CD1 3.86Å; V691-L750 HydrophobicContact CG2-CD2 4.03Å |
| 692 | N | 87.8 | Confident | 86.4 | Confident | 104 Ų | 104 | 56.4 Ų | 56.4 | 56% | 0.556 | 30% | 0.299 | S | S | * | . | G | 310 helix | trans | -62.8 | -26.9 | -178.6 | -61.5 | -3.8 | 0 | 0 | 0 | 112.6 | H690 F694 S695 | H690-N692 PolarHBondContact O-N 3.08Å; N692-F694 PolarHBondContact O-N 2.96Å; N692-S695 WeakPolarHBondContact O-CB 3.44Å; N692-S695 PolarHBondContact O-N 3.04Å; N692-S695 VanDerWaalsContact O-N 3.15Å; N692-S695 PolarHBondContact O-OG 3.17Å; N692-S695 VanDerWaalsContact O-OG 3.1Å |
| 693 | D | 90.7 | Very high | 86.4 | Confident | 60 Ų | 60 | 60.1 Ų | 60.1 | 32% | 0.321 | 32% | 0.317 | S | S | . | . | G | 310 helix | trans | -68.9 | -19.8 | -178.2 | -61.9 | -46.7 | 0 | 0 | 0 | 112.6 | L689 H690 V691 S695 C696 Y769 | L689-D693 HydrophobicContact CD2-CB 4.34Å; H690-D693 WeakPolarHBondContact CA-OD2 3.34Å; H690-D693 WeakPolarHBondContact CB-OD2 3.45Å; H690-D693 PolarHBondContact N-OD2 3.36Å; H690-D693 WeakPolarHBondContact O-CB 3.14Å; H690-D693 PolarHBondContact O-N 3.03Å; V691-D693 PolarHBondContact O-N 3.14Å; D693-S695 PolarHBondContact O-N 3.35Å; D693-C696 PolarHBondContact O-N 3.23Å; D693-C696 PolarHBondContact O-SG 2.93Å; D693-Y769 WeakPolarHBondContact CB-OH 3.26Å |
| 694 | F | 90.2 | Very high | 86.2 | Confident | 1 Ų | 1 | 60.7 Ų | 60.7 | 0% | 0.004 | 32% | 0.322 | C | S | . | . | G | 310 helix | trans | -74.1 | -7.5 | 176.3 | -69.6 | -92.8 | 0 | 0 | 0 | 113.2 | L689 H690 V691 N692 C696 F697 Y701 R746 L749 L750 | L689-F694 HydrophobicContact CD1-CZ 4.23Å; H690-F694 WeakPolarHBondContact O-CD2 3.45Å; V691-F694 PolarHBondContact O-N 2.74Å; N692-F694 PolarHBondContact O-N 2.96Å; F694-C696 PolarHBondContact O-N 2.93Å; F694-C696 VanDerWaalsContact O-N 3.09Å; F694-F697 HydrophobicContact CD1-CD2 4.2Å; F694-F697 HydrophobicContact CD1-CE2 4.12Å; F694-F697 PolarHBondContact O-N 3.21Å; F694-F697 VanDerWaalsContact O-N 3.13Å; F694-Y701 WeakPolarHBondContact CB-O 3.3Å; F694-R746 HydrophobicContact CB-CG 4.46Å; F694-R746 HydrophobicContact CD1-CB 3.74Å; F694-R746 HydrophobicContact CD1-CG 3.9Å; F694-R746 HydrophobicContact CD2-CG 4.25Å; F694-R746 HydrophobicContact CE1-CB 3.97Å; F694-R746 HydrophobicContact CE1-CG 4.24Å; F694-R746 HydrophobicContact CG-CB 4.27Å; F694-R746 HydrophobicContact CG-CG 3.91Å; F694-L749 HydrophobicContact CE1-CB 3.9Å; F694-L749 HydrophobicContact CE1-CD1 3.98Å; F694-L749 HydrophobicContact CZ-CB 3.51Å; F694-L749 HydrophobicContact CZ-CD1 4.27Å; F694-L750 HydrophobicContact CD2-CD1 4.47Å; F694-L750 HydrophobicContact CD2-CD2 4.17Å; F694-L750 HydrophobicContact CD2-CG 4.3Å; F694-L750 HydrophobicContact CE2-CD1 4.21Å; F694-L750 HydrophobicContact CE2-CD2 3.49Å; F694-L750 VanDerWaalsContact CE2-CD2 3.49Å; F694-L750 HydrophobicContact CE2-CG 3.59Å; F694-L750 HydrophobicContact CZ-CD2 4.32Å; F694-L750 HydrophobicContact CZ-CG 4.04Å |
| 695 | S | 89.4 | Confident | 85.8 | Confident | 63 Ų | 63 | 64.3 Ų | 64.3 | 44% | 0.441 | 34% | 0.338 | S | S | . | . | G | 310 helix | trans | -60.2 | -17 | 169.6 | 77.9 | 0 | 0 | 0 | 0 | 112.4 | N692 D693 F697 A698 | N692-S695 WeakPolarHBondContact O-CB 3.44Å; N692-S695 PolarHBondContact O-N 3.04Å; N692-S695 VanDerWaalsContact O-N 3.15Å; N692-S695 PolarHBondContact O-OG 3.17Å; N692-S695 VanDerWaalsContact O-OG 3.1Å; D693-S695 PolarHBondContact O-N 3.35Å; S695-F697 VanDerWaalsContact C-N 3.28Å; S695-F697 PolarHBondContact O-N 3.46Å; S695-A698 WeakPolarHBondContact CA-O 3.29Å; S695-A698 CarbonylContact O-C 3.41Å |
| 696 | C | 91.3 | Very high | 85 | Confident | 7 Ų | 7 | 64.4 Ų | 64.4 | 5% | 0.047 | 34% | 0.34 | C | S | . | . | G | 310 helix | trans | -62.4 | -31.6 | 174.8 | 69.4 | 0 | 0 | 0 | 0 | 113.2 | D693 F694 R776 R809 | D693-C696 PolarHBondContact O-N 3.23Å; D693-C696 PolarHBondContact O-SG 2.93Å; F694-C696 PolarHBondContact O-N 2.93Å; F694-C696 VanDerWaalsContact O-N 3.09Å; C696-R776 HydrophobicContact CB-CB 4.24Å; C696-R809 PolarHBondContact O-NH2 3.44Å |
| 697 | F | 90.3 | Very high | 84.2 | Confident | 6 Ų | 6 | 68.2 Ų | 68.2 | 3% | 0.026 | 36% | 0.361 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -72.1 | -61 | 173.1 | -70.8 | -83.2 | 0 | 0 | 0 | 109.6 | F694 S695 Y701 V719 L742 L745 I768 Y769 A772 L807 R809 | F694-F697 HydrophobicContact CD1-CD2 4.2Å; F694-F697 HydrophobicContact CD1-CE2 4.12Å; F694-F697 PolarHBondContact O-N 3.21Å; F694-F697 VanDerWaalsContact O-N 3.13Å; S695-F697 VanDerWaalsContact C-N 3.28Å; S695-F697 PolarHBondContact O-N 3.46Å; F697-Y701 HydrophobicContact CB-CD2 3.92Å; F697-Y701 HydrophobicContact CB-CE2 4.46Å; F697-V719 HydrophobicContact CD1-CG2 4.48Å; F697-V719 WeakPolarHBondContact O-CG1 3.21Å; F697-L742 HydrophobicContact CB-CD1 4.44Å; F697-L742 HydrophobicContact CD1-CD1 4.37Å; F697-L742 HydrophobicContact CD1-CD2 3.52Å; F697-L742 HydrophobicContact CE1-CD2 3.72Å; F697-L742 HydrophobicContact CG-CD2 4.21Å; F697-L745 HydrophobicContact CE1-CD2 4.11Å; F697-L745 HydrophobicContact CE2-CD2 4.45Å; F697-L745 HydrophobicContact CZ-CD2 3.75Å; F697-I768 HydrophobicContact CE1-CG2 3.8Å; F697-I768 HydrophobicContact CZ-CG2 3.95Å; F697-Y769 HydrophobicContact CE2-CD2 4.08Å; F697-A772 HydrophobicContact CD1-CB 3.54Å; F697-A772 HydrophobicContact CD2-CB 4.21Å; F697-A772 HydrophobicContact CE1-CB 3.3Å; F697-A772 HydrophobicContact CE2-CB 3.99Å; F697-A772 HydrophobicContact CG-CB 4Å; F697-A772 HydrophobicContact CZ-CB 3.53Å; F697-L807 HydrophobicContact CD1-CD1 4.12Å; F697-L807 HydrophobicContact CE1-CD1 4.15Å; F697-R809 PolarHBondContact O-NH1 3.11Å |
| 698 | A | 86.3 | Confident | 83.5 | Confident | 15 Ų | 15 | 64 Ų | 64 | 12% | 0.124 | 34% | 0.34 | C | S | . | . | trans | -156.7 | 152.4 | 171.7 | 0 | 0 | 0 | 0 | 0 | 109.4 | S695 K700 Y701 V719 | S695-A698 WeakPolarHBondContact CA-O 3.29Å; S695-A698 CarbonylContact O-C 3.41Å; A698-K700 HydrophobicContact CB-CG 4.3Å; A698-K700 PolarHBondContact O-N 3.02Å; A698-K700 VanDerWaalsContact O-N 3.08Å; A698-Y701 HydrophobicContact CB-CD2 3.86Å; A698-Y701 HydrophobicContact CB-CE2 4.06Å; A698-Y701 PolarHBondContact O-N 2.78Å; A698-V719 HydrophobicContact CB-CG1 3.79Å | ||
| 699 | P | 82.1 | Confident | 82.4 | Confident | 100 Ų | 100 | 64.9 Ų | 64.9 | 65% | 0.649 | 35% | 0.345 | S | S | * | . | G | 310 helix | trans | -49.9 | -40.3 | -178.4 | -29.6 | 35.3 | 0 | 0 | 0 | 113.7 | Y701 G702 | P699-Y701 PolarHBondContact O-N 3.1Å; P699-G702 PolarHBondContact O-N 3.4Å |
| 700 | K | 83 | Confident | 81 | Confident | 92 Ų | 92 | 67.3 Ų | 67.3 | 40% | 0.4 | 36% | 0.363 | S | S | . | . | G | 310 helix | trans | -53.7 | -39.2 | 179.3 | 69 | 172.3 | -177.4 | 157.6 | 0 | 112.5 | A698 G702 D703 V706 D740 | A698-K700 HydrophobicContact CB-CG 4.3Å; A698-K700 PolarHBondContact O-N 3.02Å; A698-K700 VanDerWaalsContact O-N 3.08Å; K700-G702 PolarHBondContact O-N 2.71Å; K700-D703 PolarHBondContact O-N 3.05Å; K700-V706 WeakPolarHBondContact O-CG2 3.34Å; K700-D740 IonicContact NZ-OD2 3.87Å; K700-D740 PolarHBondContact NZ-OD2 3.39Å; K700-D740 VanDerWaalsContact NZ-OD2 3.1Å |
| 701 | Y | 86.6 | Confident | 79.3 | Confident | 6 Ų | 6 | 66.8 Ų | 66.8 | 2% | 0.024 | 36% | 0.361 | C | S | . | . | G | 310 helix | trans | -75.3 | -14.2 | -176.3 | -60.4 | -67.8 | 0 | 0 | 0 | 113.4 | F694 F697 A698 P699 D703 V719 D740 L742 C743 R746 | F694-Y701 WeakPolarHBondContact CB-O 3.3Å; F697-Y701 HydrophobicContact CB-CD2 3.92Å; F697-Y701 HydrophobicContact CB-CE2 4.46Å; A698-Y701 HydrophobicContact CB-CD2 3.86Å; A698-Y701 HydrophobicContact CB-CE2 4.06Å; A698-Y701 PolarHBondContact O-N 2.78Å; P699-Y701 PolarHBondContact O-N 3.1Å; Y701-D703 VanDerWaalsContact C-N 3.34Å; Y701-V719 HydrophobicContact CE2-CG1 4.2Å; Y701-D740 PolarHBondContact OH-OD1 3.01Å; Y701-D740 PolarHBondContact OH-OD2 2.87Å; Y701-L742 HydrophobicContact CD2-CB 4.49Å; Y701-L742 HydrophobicContact CD2-CD1 4.5Å; Y701-L742 HydrophobicContact CE1-CB 3.81Å; Y701-L742 HydrophobicContact CE2-CB 3.8Å; Y701-L742 HydrophobicContact CE2-CD1 3.6Å; Y701-L742 HydrophobicContact CE2-CG 4.37Å; Y701-L742 WeakPolarHBondContact OH-CB 3.36Å; Y701-C743 HydrophobicContact CE1-CB 4.26Å; Y701-R746 VanDerWaalsContact O-CD 3.24Å; Y701-R746 WeakPolarHBondContact O-CD 3.41Å; Y701-R746 PolarHBondContact O-NE 3.33Å |
| 702 | G | 85.1 | Confident | 77.6 | Confident | 8 Ų | 8 | 71.2 Ų | 71.2 | 8% | 0.082 | 38% | 0.383 | C | S | . | . | G | 310 helix | trans | -79.2 | -14.4 | 173.5 | 0 | 0 | 0 | 0 | 0 | 114.2 | P699 K700 | P699-G702 PolarHBondContact O-N 3.4Å; K700-G702 PolarHBondContact O-N 2.71Å |
| 703 | D | 82.8 | Confident | 75.8 | Confident | 102 Ų | 102 | 72.8 Ų | 72.8 | 55% | 0.545 | 39% | 0.391 | S | S | . | . | S | Bend | trans | -73.3 | 146.6 | -179.6 | -76.7 | -33.7 | 0 | 0 | 0 | 111.5 | K700 Y701 Q705 V706 R746 | K700-D703 PolarHBondContact O-N 3.05Å; Y701-D703 VanDerWaalsContact C-N 3.34Å; D703-Q705 VanDerWaalsContact C-N 3.35Å; D703-V706 HydrophobicContact CB-CG2 3.86Å; D703-V706 WeakPolarHBondContact O-CG2 2.97Å; D703-R746 PolarHBondContact O-NH2 3.23Å |
| 704 | Q | 78.1 | Confident | 73.9 | Confident | 161 Ų | 161 | 77.7 Ų | 77.7 | 75% | 0.752 | 42% | 0.418 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -71.7 | -31.5 | 176.7 | -68.8 | -176.9 | -9.2 | 0 | 0 | 112.3 | V691 | V691-Q704 HydrophobicContact CG1-CG 4.47Š|
| 705 | Q | 76.7 | Confident | 72.7 | Confident | 189 Ų | 189 | 80.6 Ų | 80.6 | 88% | 0.883 | 44% | 0.438 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -101.1 | 28.7 | -173.1 | -65.8 | -175.4 | -12 | 0 | 0 | 114.1 | D703 N707 | D703-Q705 VanDerWaalsContact C-N 3.35Å; Q705-N707 PolarHBondContact O-N 3.29Å; Q705-N707 VanDerWaalsContact O-N 3.12Å |
| 706 | V | 69.9 | Low | 72.3 | Confident | 35 Ų | 35 | 82.1 Ų | 82.1 | 21% | 0.212 | 44% | 0.438 | C | S | . | . | trans | -60.3 | 119.4 | 178.7 | 179.2 | 0 | 0 | 0 | 0 | 110.6 | K700 D703 | K700-V706 WeakPolarHBondContact O-CG2 3.34Å; D703-V706 HydrophobicContact CB-CG2 3.86Å; D703-V706 WeakPolarHBondContact O-CG2 2.97Å | ||
| 707 | N | 68.3 | Low | 72.1 | Confident | 91 Ų | 91 | 85 Ų | 85 | 49% | 0.487 | 45% | 0.452 | S | S | . | . | trans | -86.8 | 112.8 | 166.3 | -171.1 | -4.5 | 0 | 0 | 0 | 109.1 | Q705 D709 S710 | Q705-N707 PolarHBondContact O-N 3.29Å; Q705-N707 VanDerWaalsContact O-N 3.12Å; N707-D709 PolarHBondContact O-N 3.39Å; N707-D709 WeakPolarHBondContact OD1-CB 3.49Å; N707-D709 PolarHBondContact OD1-N 3.18Å; N707-D709 PolarHBondContact OD1-OD2 2.98Å; N707-S710 PolarHBondContact O-N 2.91Å; N707-S710 PolarHBondContact O-OG 2.92Å; N707-S710 VanDerWaalsContact O-OG 3.08Å | ||
| 708 | C | 68.2 | Low | 72 | Confident | 19 Ų | 19 | 85 Ų | 85 | 13% | 0.128 | 46% | 0.455 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -66 | -13.6 | 176.4 | -59.1 | 0 | 0 | 0 | 0 | 112.8 | I736 C743 | C708-I736 HydrophobicContact CB-CG2 4.1Å; C708-C743 VanDerWaalsContact CA-SG 3.59Å; C708-C743 HydrophobicContact CB-CB 3.84Å; C708-C743 WeakPolarHBondContact CB-SG 3.48Å; C708-C743 WeakPolarHBondContact SG-CB 3.4Å; C708-C743 CovalentContact SG-SG 2.04Å; C708-C743 PolarHBondContact SG-SG 2.73Å |
| 709 | D | 62.1 | Low | 72.3 | Confident | 119 Ų | 119 | 85.2 Ų | 85.2 | 64% | 0.636 | 45% | 0.454 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -83.6 | -13.2 | -179.2 | -58.6 | -29.9 | 0 | 0 | 0 | 113.1 | N707 H711 | N707-D709 PolarHBondContact O-N 3.39Å; N707-D709 WeakPolarHBondContact OD1-CB 3.49Å; N707-D709 PolarHBondContact OD1-N 3.18Å; N707-D709 PolarHBondContact OD1-OD2 2.98Å; D709-H711 PolarHBondContact O-N 2.74Å |
| 710 | S | 58 | Low | 72.7 | Confident | 68 Ų | 68 | 81.8 Ų | 81.8 | 48% | 0.476 | 43% | 0.431 | S | S | . | . | trans | -86.2 | 105.1 | -177.3 | 65.2 | 0 | 0 | 0 | 0 | 112.1 | N707 N712 | N707-S710 PolarHBondContact O-N 2.91Å; N707-S710 PolarHBondContact O-OG 2.92Å; N707-S710 VanDerWaalsContact O-OG 3.08Å; S710-N712 PolarHBondContact O-N 2.9Å | ||
| 711 | H | 52 | Low | 73.1 | Confident | 117 Ų | 117 | 77.4 Ų | 77.4 | 54% | 0.542 | 41% | 0.412 | S | S | . | . | trans | -78.7 | 99 | 168.2 | -76.5 | -74.6 | 0 | 0 | 0 | 110.8 | D709 | D709-H711 PolarHBondContact O-N 2.74Š| ||
| 712 | N | 50.1 | Low | 73.2 | Confident | 133 Ų | 133 | 77.8 Ų | 77.8 | 71% | 0.711 | 42% | 0.415 | S | S | * | . | trans | -96.4 | 83.3 | 161.8 | -98.2 | -18.4 | 0 | 0 | 0 | 109.3 | S710 N714 | S710-N712 PolarHBondContact O-N 2.9Å; N712-N714 PolarHBondContact O-N 2.9Å | ||
| 713 | N | 50 | Low | 73 | Confident | 136 Ų | 136 | 80.3 Ų | 80.3 | 73% | 0.727 | 43% | 0.43 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -73.1 | -9.1 | 177.7 | -80.5 | -2.6 | 0 | 0 | 0 | 113.9 | S715 | N713-S715 PolarHBondContact O-N 3.43Š|
| 714 | N | 51.8 | Low | 73 | Confident | 164 Ų | 164 | 76.1 Ų | 76.1 | 88% | 0.877 | 41% | 0.406 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -95 | 19.4 | -175.7 | -76.1 | -3.8 | 0 | 0 | 0 | 114.2 | N712 Q716 | N712-N714 PolarHBondContact O-N 2.9Å; N714-Q716 PolarHBondContact O-N 3.47Å |
| 715 | S | 64.7 | Low | 72.7 | Confident | 61 Ų | 61 | 73.2 Ų | 73.2 | 43% | 0.427 | 39% | 0.393 | S | S | . | . | trans | -75.1 | 130.9 | 176 | 58.5 | 0 | 0 | 0 | 0 | 111 | N713 I717 | N713-S715 PolarHBondContact O-N 3.43Å; S715-I717 VanDerWaalsContact CB-O 3.26Å; S715-I717 WeakPolarHBondContact CB-O 3.33Å; S715-I717 PolarHBondContact O-N 2.8Å; S715-I717 PolarHBondContact OG-O 2.85Å | ||
| 716 | Q | 81.8 | Confident | 72.7 | Confident | 95 Ų | 95 | 65 Ų | 65 | 44% | 0.444 | 35% | 0.354 | S | S | . | . | S | Bend | trans | -55.7 | -29.9 | 172.9 | -166.5 | 174.4 | 10 | 0 | 0 | 112.4 | N714 Y811 N812 | N714-Q716 PolarHBondContact O-N 3.47Å; Q716-Y811 VanDerWaalsContact CD-OH 3.23Å; Q716-Y811 HydrophobicContact CG-CE1 4.15Å; Q716-Y811 HydrophobicContact CG-CE2 4.37Å; Q716-Y811 PolarHBondContact NE2-OH 3.23Å; Q716-Y811 WeakPolarHBondContact O-CA 3.22Å; Q716-N812 WeakPolarHBondContact CG-O 3.45Å; Q716-N812 PolarHBondContact NE2-O 2.92Å; Q716-N812 PolarHBondContact O-N 3.48Å |
| 717 | I | 86.4 | Confident | 72.7 | Confident | 68 Ų | 68 | 66 Ų | 66 | 35% | 0.349 | 36% | 0.361 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.8 | 133 | 178.2 | -56.7 | 169.1 | 0 | 0 | 0 | 107.6 | S715 P779 Y811 | S715-I717 VanDerWaalsContact CB-O 3.26Å; S715-I717 WeakPolarHBondContact CB-O 3.33Å; S715-I717 PolarHBondContact O-N 2.8Å; S715-I717 PolarHBondContact OG-O 2.85Å; I717-P779 HydrophobicContact CD1-CB 3.93Å; I717-P779 HydrophobicContact CG1-CB 4.18Å; I717-P779 HydrophobicContact CG2-CB 3.91Å; I717-P779 HydrophobicContact CG2-CG 3.86Å; I717-Y811 HydrophobicContact CD1-CE2 4.44Å; I717-Y811 HydrophobicContact CG1-CD2 3.8Å; I717-Y811 HydrophobicContact CG1-CE2 3.86Å |
| 718 | G | 88.8 | Confident | 72.7 | Confident | 7 Ų | 7 | 67 Ų | 67 | 7% | 0.072 | 36% | 0.363 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.1 | 153.9 | 173.5 | 0 | 0 | 0 | 0 | 0 | 113 | F810 | G718-F810 VanDerWaalsContact CA-CZ 3.45Å; G718-F810 PolarHBondContact N-O 2.67Å; G718-F810 PolarHBondContact O-N 3.27Å |
| 719 | V | 91.4 | Very high | 72.7 | Confident | 19 Ų | 19 | 68.2 Ų | 68.2 | 12% | 0.115 | 37% | 0.367 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -148.6 | 140 | 179.8 | 59.9 | 0 | 0 | 0 | 0 | 108.5 | F697 A698 Y701 L742 L807 I808 R809 | F697-V719 HydrophobicContact CD1-CG2 4.48Å; F697-V719 WeakPolarHBondContact O-CG1 3.21Å; A698-V719 HydrophobicContact CB-CG1 3.79Å; Y701-V719 HydrophobicContact CE2-CG1 4.2Å; V719-L742 HydrophobicContact CB-CD1 4.2Å; V719-L742 HydrophobicContact CG1-CD1 3.55Å; V719-L742 HydrophobicContact CG2-CD1 3.95Å; V719-L742 WeakPolarHBondContact O-CD1 3.46Å; V719-L807 HydrophobicContact CG2-CD1 3.73Å; V719-I808 WeakPolarHBondContact CA-O 3.34Å; V719-R809 HydrophobicContact CG2-CG 4.18Å |
| 720 | T | 91.5 | Very high | 72.9 | Confident | 27 Ų | 27 | 65.9 Ų | 65.9 | 17% | 0.166 | 35% | 0.354 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -153.6 | 177.7 | 174 | -169.9 | 0 | 0 | 0 | 0 | 109.2 | I808 I822 | T720-I808 HydrophobicContact CG2-CB 3.92Å; T720-I808 HydrophobicContact CG2-CD1 4.25Å; T720-I808 HydrophobicContact CG2-CG1 4.5Å; T720-I808 HydrophobicContact CG2-CG2 4.46Å; T720-I808 PolarHBondContact N-O 3.34Å; T720-I808 PolarHBondContact O-N 2.79Å; T720-I822 HydrophobicContact CG2-CG2 4.33Å |
| 721 | I | 91.5 | Very high | 73.3 | Confident | 0 Ų | 0 | 66.3 Ų | 66.3 | 0% | 0 | 35% | 0.351 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.6 | 158.3 | 170.1 | 58 | 173.3 | 0 | 0 | 0 | 109.6 | Y737 R741 L742 L745 I768 G806 L807 | I721-Y737 HydrophobicContact CD1-CE2 4.23Å; I721-R741 HydrophobicContact CD1-CB 4.17Å; I721-R741 HydrophobicContact CG1-CB 3.79Å; I721-R741 WeakPolarHBondContact O-CD 3.19Å; I721-L742 HydrophobicContact CG2-CD2 3.86Å; I721-L745 HydrophobicContact CD1-CD2 4.5Å; I721-I768 HydrophobicContact CB-CD1 4.47Å; I721-I768 HydrophobicContact CG2-CD1 3.92Å; I721-I768 HydrophobicContact CG2-CG2 4.02Å; I721-G806 CarbonylContact C-O 3.43Å; I721-G806 VanDerWaalsContact CA-O 3.29Å; I721-G806 WeakPolarHBondContact CA-O 3.39Å; I721-L807 HydrophobicContact CG2-CD1 4.19Å |
| 722 | I | 88.7 | Confident | 74.2 | Confident | 15 Ų | 15 | 66.4 Ų | 66.4 | 8% | 0.077 | 36% | 0.355 | C | S | . | . | trans | -52 | 150.3 | 169.6 | 64.4 | 174.5 | 0 | 0 | 0 | 110.8 | Y724 Y764 G806 I808 I826 | I722-Y724 VanDerWaalsContact C-N 3.32Å; I722-Y724 PolarHBondContact O-N 3.24Å; I722-Y764 WeakPolarHBondContact CG1-OH 3.31Å; I722-G806 PolarHBondContact N-O 2.93Å; I722-I808 HydrophobicContact CG2-CD1 4.38Å; I722-I826 VanDerWaalsContact CG2-O 3.28Å; I722-I826 WeakPolarHBondContact CG2-O 3.5Å | ||
| 723 | P | 80.6 | Confident | 75.4 | Confident | 61 Ų | 61 | 60.4 Ų | 60.4 | 40% | 0.396 | 32% | 0.323 | S | S | . | . | trans | -67.6 | 89.9 | 172.5 | 28.7 | -33.8 | 0 | 0 | 0 | 110.5 | I826 | P723-I826 WeakPolarHBondContact CD-O 3.15Å; P723-I826 HydrophobicContact CG-CG2 4.32Å | ||
| 724 | Y | 81.7 | Confident | 76.5 | Confident | 14 Ų | 14 | 55 Ų | 55 | 6% | 0.055 | 30% | 0.298 | C | S | . | . | trans | -95.6 | 130.4 | 174.8 | -174.1 | -107.2 | 0 | 0 | 0 | 111.1 | W550 I722 F726 Y737 D761 Y764 | W550-Y724 HydrophobicContact CZ2-CE2 4.41Å; W550-Y724 AromaticContact NE1-CD2 3.95Å; W550-Y724 AromaticContact NE1-CE2 3.41Å; I722-Y724 VanDerWaalsContact C-N 3.32Å; I722-Y724 PolarHBondContact O-N 3.24Å; Y724-F726 AromaticContact CD1-CD1 3.69Å; Y724-F726 HydrophobicContact CD1-CD1 3.69Å; Y724-F726 AromaticContact CD1-CD2 3.95Å; Y724-F726 HydrophobicContact CD1-CD2 3.95Å; Y724-F726 AromaticContact CD1-CE1 3.7Å; Y724-F726 HydrophobicContact CD1-CE1 3.7Å; Y724-F726 AromaticContact CD1-CE2 3.97Å; Y724-F726 HydrophobicContact CD1-CE2 3.97Å; Y724-F726 AromaticContact CD1-CG 3.81Å; Y724-F726 HydrophobicContact CD1-CG 3.81Å; Y724-F726 AromaticContact CD1-CZ 3.85Å; Y724-F726 HydrophobicContact CD1-CZ 3.85Å; Y724-F726 AromaticContact CE1-CD1 3.66Å; Y724-F726 HydrophobicContact CE1-CD1 3.66Å; Y724-F726 AromaticContact CE1-CE1 3.93Å; Y724-F726 HydrophobicContact CE1-CE1 3.93Å; Y724-F726 HydrophobicContact CE1-CG 4.03Å; Y724-Y737 PolarHBondContact N-OH 2.62Å; Y724-Y737 VanDerWaalsContact O-CE1 3.29Å; Y724-Y737 WeakPolarHBondContact O-CE1 3.4Å; Y724-Y737 PolarHBondContact O-OH 3.33Å; Y724-D761 HydrophobicContact CE1-CB 4.37Å; Y724-D761 PolarHBondContact OH-OD1 3.22Å; Y724-Y764 AromaticContact CD1-CD1 3.51Å; Y724-Y764 HydrophobicContact CD1-CD1 3.51Å; Y724-Y764 AromaticContact CD1-CE1 3.37Å; Y724-Y764 HydrophobicContact CD1-CE1 3.37Å; Y724-Y764 HydrophobicContact CD1-CG 4.27Å; Y724-Y764 HydrophobicContact CD2-CE1 4.29Å; Y724-Y764 HydrophobicContact CD2-CE2 4.28Å; Y724-Y764 AromaticContact CE1-CD1 3.55Å; Y724-Y764 HydrophobicContact CE1-CD1 3.55Å; Y724-Y764 AromaticContact CE1-CE1 3.94Å; Y724-Y764 HydrophobicContact CE1-CE1 3.94Å; Y724-Y764 HydrophobicContact CE1-CG 4.01Å; Y724-Y764 HydrophobicContact CG-CD1 4.04Å; Y724-Y764 AromaticContact CG-CE1 3.55Å; Y724-Y764 HydrophobicContact CG-CE1 3.55Å; Y724-Y764 HydrophobicContact CG-CE2 4.3Å; Y724-Y764 AromaticContact CG-CZ 3.71Å | ||
| 725 | E | 72.7 | Confident | 77.6 | Confident | 100 Ų | 100 | 49.3 Ų | 49.3 | 47% | 0.467 | 27% | 0.271 | S | S | . | . | trans | -90.7 | 109.8 | 171 | -67.4 | -167.2 | 174.4 | 0 | 0 | 109.6 | ||||
| 726 | F | 76.9 | Confident | 78.2 | Confident | 17 Ų | 17 | 48 Ų | 48 | 8% | 0.075 | 26% | 0.258 | C | S | . | . | trans | -77.8 | 149.2 | 178.2 | -68.6 | -87.6 | 0 | 0 | 0 | 111.7 | Y724 Q728 F729 Y737 L745 L758 D761 Y764 L765 | Y724-F726 AromaticContact CD1-CD1 3.69Å; Y724-F726 HydrophobicContact CD1-CD1 3.69Å; Y724-F726 AromaticContact CD1-CD2 3.95Å; Y724-F726 HydrophobicContact CD1-CD2 3.95Å; Y724-F726 AromaticContact CD1-CE1 3.7Å; Y724-F726 HydrophobicContact CD1-CE1 3.7Å; Y724-F726 AromaticContact CD1-CE2 3.97Å; Y724-F726 HydrophobicContact CD1-CE2 3.97Å; Y724-F726 AromaticContact CD1-CG 3.81Å; Y724-F726 HydrophobicContact CD1-CG 3.81Å; Y724-F726 AromaticContact CD1-CZ 3.85Å; Y724-F726 HydrophobicContact CD1-CZ 3.85Å; Y724-F726 AromaticContact CE1-CD1 3.66Å; Y724-F726 HydrophobicContact CE1-CD1 3.66Å; Y724-F726 AromaticContact CE1-CE1 3.93Å; Y724-F726 HydrophobicContact CE1-CE1 3.93Å; Y724-F726 HydrophobicContact CE1-CG 4.03Å; F726-Q728 VanDerWaalsContact C-N 3.31Å; F726-Q728 PolarHBondContact O-N 3.03Å; F726-F729 HydrophobicContact CB-CD2 3.24Å; F726-F729 HydrophobicContact CB-CE2 3.23Å; F726-F729 HydrophobicContact CB-CG 4.22Å; F726-F729 HydrophobicContact CB-CZ 4.22Å; F726-F729 HydrophobicContact CD1-CE2 4.1Å; F726-F729 AromaticContact CD2-CD2 3.98Å; F726-F729 HydrophobicContact CD2-CD2 3.98Å; F726-F729 HydrophobicContact CD2-CE1 4.21Å; F726-F729 AromaticContact CD2-CE2 3.23Å; F726-F729 HydrophobicContact CD2-CE2 3.23Å; F726-F729 AromaticContact CD2-CZ 3.36Å; F726-F729 HydrophobicContact CD2-CZ 3.36Å; F726-F729 HydrophobicContact CE2-CE2 4.05Å; F726-F729 AromaticContact CE2-CZ 3.83Å; F726-F729 HydrophobicContact CE2-CZ 3.83Å; F726-F729 AromaticContact CG-CD2 3.84Å; F726-F729 HydrophobicContact CG-CD2 3.84Å; F726-F729 AromaticContact CG-CE2 3.26Å; F726-F729 HydrophobicContact CG-CE2 3.26Å; F726-F729 AromaticContact CG-CZ 3.91Å; F726-F729 HydrophobicContact CG-CZ 3.91Å; F726-Y737 HydrophobicContact CD2-CE2 4.31Å; F726-Y737 HydrophobicContact CE2-CD2 4.34Å; F726-Y737 AromaticContact CE2-CE2 3.66Å; F726-Y737 HydrophobicContact CE2-CE2 3.66Å; F726-Y737 AromaticContact CE2-CZ 3.98Å; F726-L745 HydrophobicContact CZ-CD1 4.34Å; F726-L758 HydrophobicContact CB-CD2 4Å; F726-D761 VanDerWaalsContact CA-OD2 3.23Å; F726-D761 WeakPolarHBondContact CA-OD2 3.34Å; F726-D761 WeakPolarHBondContact CB-OD2 3.19Å; F726-D761 HydrophobicContact CD1-CB 3.94Å; F726-D761 WeakPolarHBondContact CD1-OD2 3.48Å; F726-D761 HydrophobicContact CE1-CB 4.48Å; F726-Y764 AromaticContact CE1-CD1 3.73Å; F726-Y764 HydrophobicContact CE1-CD1 3.73Å; F726-Y764 AromaticContact CE1-CE1 3.97Å; F726-Y764 HydrophobicContact CE1-CE1 3.97Å; F726-Y764 HydrophobicContact CZ-CD1 4.1Å; F726-Y764 AromaticContact CZ-CE1 3.84Å; F726-Y764 HydrophobicContact CZ-CE1 3.84Å; F726-L765 HydrophobicContact CD1-CD2 4.43Å; F726-L765 HydrophobicContact CE1-CD2 3.48Å; F726-L765 VanDerWaalsContact CE1-CD2 3.48Å; F726-L765 HydrophobicContact CE1-CG 4.06Å; F726-L765 HydrophobicContact CZ-CD2 4.02Å | ||
| 727 | C | 68.9 | Low | 78.3 | Confident | 54 Ų | 54 | 44.4 Ų | 44.4 | 37% | 0.365 | 24% | 0.241 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -68 | -22.8 | -166.9 | 91.8 | 0 | 0 | 0 | 0 | 115.1 | C760 D761 | C727-C760 HydrophobicContact CB-CB 3.78Å; C727-C760 WeakPolarHBondContact CB-SG 3.45Å; C727-C760 WeakPolarHBondContact SG-CB 2.9Å; C727-C760 CovalentContact SG-SG 1.98Å; C727-C760 PolarHBondContact SG-SG 2.93Å; C727-D761 PolarHBondContact N-OD2 2.9Å |
| 728 | Q | 68 | Low | 77.7 | Confident | 113 Ų | 113 | 45.3 Ų | 45.3 | 53% | 0.528 | 25% | 0.246 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -141.7 | 59.2 | -177.7 | -72.8 | -173 | 10.8 | 0 | 0 | 112.7 | F726 K757 L758 | F726-Q728 VanDerWaalsContact C-N 3.31Å; F726-Q728 PolarHBondContact O-N 3.03Å; Q728-K757 PolarHBondContact OE1-O 3.19Å; Q728-L758 HydrophobicContact CB-CD2 3.99Å |
| 729 | F | 69.2 | Low | 77.1 | Confident | 45 Ų | 45 | 49.4 Ų | 49.4 | 20% | 0.197 | 27% | 0.266 | C | S | . | . | trans | -82.2 | 128.4 | 170.4 | -97.2 | -129.3 | 0 | 0 | 0 | 111.4 | F726 L733 Y737 A744 V748 L758 | F726-F729 HydrophobicContact CB-CD2 3.24Å; F726-F729 HydrophobicContact CB-CE2 3.23Å; F726-F729 HydrophobicContact CB-CG 4.22Å; F726-F729 HydrophobicContact CB-CZ 4.22Å; F726-F729 HydrophobicContact CD1-CE2 4.1Å; F726-F729 AromaticContact CD2-CD2 3.98Å; F726-F729 HydrophobicContact CD2-CD2 3.98Å; F726-F729 HydrophobicContact CD2-CE1 4.21Å; F726-F729 AromaticContact CD2-CE2 3.23Å; F726-F729 HydrophobicContact CD2-CE2 3.23Å; F726-F729 AromaticContact CD2-CZ 3.36Å; F726-F729 HydrophobicContact CD2-CZ 3.36Å; F726-F729 HydrophobicContact CE2-CE2 4.05Å; F726-F729 AromaticContact CE2-CZ 3.83Å; F726-F729 HydrophobicContact CE2-CZ 3.83Å; F726-F729 AromaticContact CG-CD2 3.84Å; F726-F729 HydrophobicContact CG-CD2 3.84Å; F726-F729 AromaticContact CG-CE2 3.26Å; F726-F729 HydrophobicContact CG-CE2 3.26Å; F726-F729 AromaticContact CG-CZ 3.91Å; F726-F729 HydrophobicContact CG-CZ 3.91Å; F729-L733 HydrophobicContact CD1-CB 3.73Å; F729-L733 HydrophobicContact CE1-CB 3.9Å; F729-L733 HydrophobicContact CG-CB 4.36Å; F729-Y737 HydrophobicContact CE1-CD2 4.04Å; F729-Y737 AromaticContact CE1-CG 3.95Å; F729-Y737 HydrophobicContact CE1-CG 3.95Å; F729-Y737 HydrophobicContact CZ-CD2 4.36Å; F729-A744 HydrophobicContact CE1-CB 4.31Å; F729-V748 HydrophobicContact CE2-CG2 4.17Å; F729-V748 HydrophobicContact CZ-CG2 4.09Å; F729-L758 HydrophobicContact CD2-CD1 4.35Å; F729-L758 HydrophobicContact CD2-CD2 4.11Å; F729-L758 HydrophobicContact CE2-CD1 3.97Å; F729-L758 HydrophobicContact CE2-CD2 4.3Å | ||
| 730 | N | 66.9 | Low | 76.8 | Confident | 69 Ų | 69 | 49.7 Ų | 49.7 | 37% | 0.369 | 27% | 0.267 | S | S | . | . | trans | -79.1 | 164.1 | 167.5 | 69.9 | -5.7 | 0 | 0 | 0 | 110.2 | D732 L733 A734 | N730-D732 PolarHBondContact O-N 3.32Å; N730-L733 PolarHBondContact O-N 3.41Å; N730-L733 WeakPolarHBondContact OD1-CB 3.27Å; N730-L733 WeakPolarHBondContact OD1-CD1 3.4Å; N730-L733 WeakPolarHBondContact OD1-CG 3.48Å; N730-L733 PolarHBondContact OD1-N 3.1Å; N730-A734 WeakPolarHBondContact O-CB 3.22Å; N730-A734 PolarHBondContact O-N 2.07Å | ||
| 731 | N | 65.7 | Low | 76.6 | Confident | 78 Ų | 78 | 51.2 Ų | 51.2 | 42% | 0.417 | 27% | 0.27 | S | S | . | . | H | α-helix | trans | -57.4 | -34.7 | -178.8 | -72.7 | -27.5 | 0 | 0 | 0 | 113.4 | S735 | N731-S735 PolarHBondContact O-N 2.77Å |
| 732 | D | 71.5 | Confident | 76.5 | Confident | 118 Ų | 118 | 51.5 Ų | 51.5 | 63% | 0.631 | 27% | 0.271 | S | S | * | . | H | α-helix | trans | -69.9 | -42.1 | 179.9 | -58 | -33.3 | 0 | 0 | 0 | 112 | N730 S735 I736 | N730-D732 PolarHBondContact O-N 3.32Å; D732-S735 PolarHBondContact O-OG 2.96Å; D732-I736 WeakPolarHBondContact O-CG1 2.82Å; D732-I736 PolarHBondContact O-N 2.92Å |
| 733 | L | 74.9 | Confident | 76.4 | Confident | 7 Ų | 7 | 50.8 Ų | 50.8 | 4% | 0.037 | 27% | 0.268 | C | S | . | . | H | α-helix | trans | -71.7 | -33.9 | 175.3 | -73 | 167 | 0 | 0 | 0 | 111.6 | F729 N730 S735 I736 Y737 Q747 V748 M754 | F729-L733 HydrophobicContact CD1-CB 3.73Å; F729-L733 HydrophobicContact CE1-CB 3.9Å; F729-L733 HydrophobicContact CG-CB 4.36Å; N730-L733 PolarHBondContact O-N 3.41Å; N730-L733 WeakPolarHBondContact OD1-CB 3.27Å; N730-L733 WeakPolarHBondContact OD1-CD1 3.4Å; N730-L733 WeakPolarHBondContact OD1-CG 3.48Å; N730-L733 PolarHBondContact OD1-N 3.1Å; L733-S735 PolarHBondContact O-N 2.9Å; L733-I736 PolarHBondContact O-N 3.35Å; L733-Y737 VanDerWaalsContact O-CB 3.25Å; L733-Y737 WeakPolarHBondContact O-CB 3.41Å; L733-Y737 PolarHBondContact O-N 3.41Å; L733-Q747 HydrophobicContact CD2-CB 4.02Å; L733-V748 HydrophobicContact CD1-CG2 4.08Å; L733-V748 HydrophobicContact CD2-CG2 4.32Å; L733-M754 HydrophobicContact CD1-CE 3.92Å; L733-M754 HydrophobicContact CD1-SD 3.95Å; L733-M754 HydrophobicContact CG-CE 4.4Å |
| 734 | A | 73.4 | Confident | 76.6 | Confident | 23 Ų | 23 | 47.9 Ų | 47.9 | 19% | 0.19 | 25% | 0.249 | C | C | . | . | H | α-helix | trans | -62.8 | -40.6 | 178.8 | 0 | 0 | 0 | 0 | 0 | 112.1 | N730 Y737 L738 | N730-A734 WeakPolarHBondContact O-CB 3.22Å; N730-A734 PolarHBondContact O-N 2.07Å; A734-Y737 PolarHBondContact O-N 2.96Å; A734-L738 WeakPolarHBondContact O-CG 3.48Å; A734-L738 PolarHBondContact O-N 3.33Å |
| 735 | S | 73.8 | Confident | 76.9 | Confident | 44 Ų | 44 | 47.3 Ų | 47.3 | 31% | 0.308 | 25% | 0.247 | S | C | . | . | H | α-helix | trans | -66 | -42.6 | 175.9 | 64.3 | 0 | 0 | 0 | 0 | 111.9 | N731 D732 L733 Y737 L738 N739 | N731-S735 PolarHBondContact O-N 2.77Å; D732-S735 PolarHBondContact O-OG 2.96Å; L733-S735 PolarHBondContact O-N 2.9Å; S735-Y737 VanDerWaalsContact C-N 3.31Å; S735-Y737 PolarHBondContact O-N 2.9Å; S735-L738 PolarHBondContact O-N 2.93Å; S735-N739 PolarHBondContact O-N 2.97Å |
| 736 | I | 78.7 | Confident | 77.6 | Confident | 33 Ų | 33 | 43.6 Ų | 43.6 | 17% | 0.169 | 23% | 0.229 | C | C | . | . | H | α-helix | trans | -62.3 | -41.6 | 175 | -61.7 | 169.4 | 0 | 0 | 0 | 110.3 | C708 D732 L733 N739 D740 C743 A744 Q747 | C708-I736 HydrophobicContact CB-CG2 4.1Å; D732-I736 WeakPolarHBondContact O-CG1 2.82Å; D732-I736 PolarHBondContact O-N 2.92Å; L733-I736 PolarHBondContact O-N 3.35Å; I736-N739 PolarHBondContact O-N 2.93Å; I736-D740 CarbonylContact O-C 3.36Å; I736-D740 PolarHBondContact O-N 3.48Å; I736-C743 HydrophobicContact CG2-CB 4.13Å; I736-A744 HydrophobicContact CB-CB 4.27Å; I736-A744 HydrophobicContact CG2-CB 3.88Å; I736-Q747 VanDerWaalsContact CD1-OE1 3.28Å |
| 737 | Y | 82.2 | Confident | 78 | Confident | 20 Ų | 20 | 46 Ų | 46 | 8% | 0.078 | 24% | 0.24 | C | C | . | . | H | α-helix | trans | -66.4 | -39.1 | -178 | -175 | -104.8 | 0 | 0 | 0 | 113.4 | I721 Y724 F726 F729 L733 A734 S735 N739 R741 A744 | I721-Y737 HydrophobicContact CD1-CE2 4.23Å; Y724-Y737 PolarHBondContact N-OH 2.62Å; Y724-Y737 VanDerWaalsContact O-CE1 3.29Å; Y724-Y737 WeakPolarHBondContact O-CE1 3.4Å; Y724-Y737 PolarHBondContact O-OH 3.33Å; F726-Y737 HydrophobicContact CD2-CE2 4.31Å; F726-Y737 HydrophobicContact CE2-CD2 4.34Å; F726-Y737 AromaticContact CE2-CE2 3.66Å; F726-Y737 HydrophobicContact CE2-CE2 3.66Å; F726-Y737 AromaticContact CE2-CZ 3.98Å; F729-Y737 HydrophobicContact CE1-CD2 4.04Å; F729-Y737 AromaticContact CE1-CG 3.95Å; F729-Y737 HydrophobicContact CE1-CG 3.95Å; F729-Y737 HydrophobicContact CZ-CD2 4.36Å; L733-Y737 VanDerWaalsContact O-CB 3.25Å; L733-Y737 WeakPolarHBondContact O-CB 3.41Å; L733-Y737 PolarHBondContact O-N 3.41Å; A734-Y737 PolarHBondContact O-N 2.96Å; S735-Y737 VanDerWaalsContact C-N 3.31Å; S735-Y737 PolarHBondContact O-N 2.9Å; Y737-N739 VanDerWaalsContact C-N 3.25Å; Y737-N739 PolarHBondContact O-N 2.94Å; Y737-R741 HydrophobicContact CD1-CG 4.34Å; Y737-R741 HydrophobicContact CD2-CB 3.88Å; Y737-R741 HydrophobicContact CD2-CG 3.91Å; Y737-R741 HydrophobicContact CE1-CG 4.12Å; Y737-R741 HydrophobicContact CE2-CB 3.58Å; Y737-R741 HydrophobicContact CE2-CG 3.6Å; Y737-R741 HydrophobicContact CG-CG 4.25Å; Y737-R741 WeakPolarHBondContact O-CA 3.41Å; Y737-R741 WeakPolarHBondContact O-CG 3.14Å; Y737-R741 PolarHBondContact O-N 3.24Å; Y737-A744 HydrophobicContact CD2-CB 3.88Å; Y737-A744 HydrophobicContact CG-CB 4.31Å |
| 738 | L | 75.5 | Confident | 78.7 | Confident | 87 Ų | 87 | 43.5 Ų | 43.5 | 46% | 0.455 | 22% | 0.223 | S | C | . | . | H | α-helix | trans | -62 | -35.7 | 174.7 | -73 | 169.6 | 0 | 0 | 0 | 111.8 | P150 A734 S735 | P150-L738 HydrophobicContact CB-CD1 4.02Å; A734-L738 WeakPolarHBondContact O-CG 3.48Å; A734-L738 PolarHBondContact O-N 3.33Å; S735-L738 PolarHBondContact O-N 2.93Å |
| 739 | N | 76.6 | Confident | 79.6 | Confident | 93 Ų | 93 | 38.2 Ų | 38.2 | 50% | 0.497 | 20% | 0.199 | S | C | . | . | H | α-helix | trans | -83.9 | -49.7 | -179.3 | -65.5 | -16.3 | 0 | 0 | 0 | 112.9 | S735 I736 Y737 | S735-N739 PolarHBondContact O-N 2.97Å; I736-N739 PolarHBondContact O-N 2.93Å; Y737-N739 VanDerWaalsContact C-N 3.25Å; Y737-N739 PolarHBondContact O-N 2.94Å |
| 740 | D | 84.2 | Confident | 80.3 | Confident | 26 Ų | 26 | 39 Ų | 39 | 14% | 0.139 | 21% | 0.205 | C | C | . | . | trans | -144.1 | 94.7 | 177.9 | -171.3 | -32.7 | 0 | 0 | 0 | 110 | K700 Y701 I736 L742 C743 A744 | K700-D740 IonicContact NZ-OD2 3.87Å; K700-D740 PolarHBondContact NZ-OD2 3.39Å; K700-D740 VanDerWaalsContact NZ-OD2 3.1Å; Y701-D740 PolarHBondContact OH-OD1 3.01Å; Y701-D740 PolarHBondContact OH-OD2 2.87Å; I736-D740 CarbonylContact O-C 3.36Å; I736-D740 PolarHBondContact O-N 3.48Å; D740-L742 PolarHBondContact O-N 2.71Å; D740-L742 PolarHBondContact OD1-N 2.59Å; D740-L742 VanDerWaalsContact OD1-N 3.16Å; D740-C743 HydrophobicContact CB-CB 3.81Å; D740-C743 WeakPolarHBondContact O-CB 3.27Å; D740-C743 PolarHBondContact O-N 3.39Å; D740-C743 PolarHBondContact OD1-N 3.13Å; D740-A744 PolarHBondContact O-N 3.49Å; D740-A744 VanDerWaalsContact O-N 3.13Å | ||
| 741 | R | 87.1 | Confident | 81.2 | Confident | 59 Ų | 59 | 38.8 Ų | 38.8 | 22% | 0.223 | 20% | 0.203 | C | C | . | . | H | α-helix | trans | -52.5 | -38.5 | -178.8 | -67.4 | -177.2 | 177.6 | 76.1 | 3.4 | 113.1 | I721 Y737 L745 | I721-R741 HydrophobicContact CD1-CB 4.17Å; I721-R741 HydrophobicContact CG1-CB 3.79Å; I721-R741 WeakPolarHBondContact O-CD 3.19Å; Y737-R741 HydrophobicContact CD1-CG 4.34Å; Y737-R741 HydrophobicContact CD2-CB 3.88Å; Y737-R741 HydrophobicContact CD2-CG 3.91Å; Y737-R741 HydrophobicContact CE1-CG 4.12Å; Y737-R741 HydrophobicContact CE2-CB 3.58Å; Y737-R741 HydrophobicContact CE2-CG 3.6Å; Y737-R741 HydrophobicContact CG-CG 4.25Å; Y737-R741 WeakPolarHBondContact O-CA 3.41Å; Y737-R741 WeakPolarHBondContact O-CG 3.14Å; Y737-R741 PolarHBondContact O-N 3.24Å; R741-L745 WeakPolarHBondContact O-CB 3.11Å; R741-L745 PolarHBondContact O-N 3.33Å |
| 742 | L | 89.2 | Confident | 82 | Confident | 5 Ų | 5 | 39.4 Ų | 39.4 | 3% | 0.026 | 21% | 0.206 | C | C | . | . | H | α-helix | trans | -76.9 | -30.6 | -178.8 | -68 | 174.7 | 0 | 0 | 0 | 112 | F697 Y701 V719 I721 D740 L745 R746 | F697-L742 HydrophobicContact CB-CD1 4.44Å; F697-L742 HydrophobicContact CD1-CD1 4.37Å; F697-L742 HydrophobicContact CD1-CD2 3.52Å; F697-L742 HydrophobicContact CE1-CD2 3.72Å; F697-L742 HydrophobicContact CG-CD2 4.21Å; Y701-L742 HydrophobicContact CD2-CB 4.49Å; Y701-L742 HydrophobicContact CD2-CD1 4.5Å; Y701-L742 HydrophobicContact CE1-CB 3.81Å; Y701-L742 HydrophobicContact CE2-CB 3.8Å; Y701-L742 HydrophobicContact CE2-CD1 3.6Å; Y701-L742 HydrophobicContact CE2-CG 4.37Å; Y701-L742 WeakPolarHBondContact OH-CB 3.36Å; V719-L742 HydrophobicContact CB-CD1 4.2Å; V719-L742 HydrophobicContact CG1-CD1 3.55Å; V719-L742 HydrophobicContact CG2-CD1 3.95Å; V719-L742 WeakPolarHBondContact O-CD1 3.46Å; I721-L742 HydrophobicContact CG2-CD2 3.86Å; D740-L742 PolarHBondContact O-N 2.71Å; D740-L742 PolarHBondContact OD1-N 2.59Å; D740-L742 VanDerWaalsContact OD1-N 3.16Å; L742-L745 HydrophobicContact CD2-CD2 4.09Å; L742-L745 PolarHBondContact O-N 2.78Å; L742-R746 WeakPolarHBondContact O-CB 3.49Å; L742-R746 PolarHBondContact O-N 3.35Å |
| 743 | C | 87.3 | Confident | 82.6 | Confident | 0 Ų | 0 | 37.3 Ų | 37.3 | 0% | 0 | 20% | 0.201 | C | C | . | . | H | α-helix | trans | -65.2 | -44.6 | 172.6 | -144.3 | 0 | 0 | 0 | 0 | 111 | Y701 C708 I736 D740 R746 Q747 | Y701-C743 HydrophobicContact CE1-CB 4.26Å; C708-C743 VanDerWaalsContact CA-SG 3.59Å; C708-C743 HydrophobicContact CB-CB 3.84Å; C708-C743 WeakPolarHBondContact CB-SG 3.48Å; C708-C743 WeakPolarHBondContact SG-CB 3.4Å; C708-C743 CovalentContact SG-SG 2.04Å; C708-C743 PolarHBondContact SG-SG 2.73Å; I736-C743 HydrophobicContact CG2-CB 4.13Å; D740-C743 HydrophobicContact CB-CB 3.81Å; D740-C743 WeakPolarHBondContact O-CB 3.27Å; D740-C743 PolarHBondContact O-N 3.39Å; D740-C743 PolarHBondContact OD1-N 3.13Å; C743-R746 WeakPolarHBondContact O-CB 3.43Å; C743-R746 PolarHBondContact O-N 3.46Å; C743-Q747 WeakPolarHBondContact O-CG 3.22Å; C743-Q747 PolarHBondContact O-N 2.91Å |
| 744 | A | 85.3 | Confident | 82.9 | Confident | 0 Ų | 0 | 39 Ų | 39 | 0% | 0 | 21% | 0.209 | C | C | . | . | H | α-helix | trans | -62 | -44.3 | 173.6 | 0 | 0 | 0 | 0 | 0 | 111.8 | F729 I736 Y737 D740 R746 Q747 V748 | F729-A744 HydrophobicContact CE1-CB 4.31Å; I736-A744 HydrophobicContact CB-CB 4.27Å; I736-A744 HydrophobicContact CG2-CB 3.88Å; Y737-A744 HydrophobicContact CD2-CB 3.88Å; Y737-A744 HydrophobicContact CG-CB 4.31Å; D740-A744 PolarHBondContact O-N 3.49Å; D740-A744 VanDerWaalsContact O-N 3.13Å; A744-R746 VanDerWaalsContact C-N 3.31Å; A744-R746 PolarHBondContact O-N 2.87Å; A744-Q747 PolarHBondContact O-N 2.86Å; A744-Q747 VanDerWaalsContact O-N 3.17Å; A744-V748 WeakPolarHBondContact O-CG2 3.38Å; A744-V748 PolarHBondContact O-N 3Å |
| 745 | L | 86.9 | Confident | 83.2 | Confident | 3 Ų | 3 | 38.6 Ų | 38.6 | 2% | 0.016 | 20% | 0.204 | C | C | . | . | H | α-helix | trans | -57.2 | -42.9 | 175 | -179.3 | 63.7 | 0 | 0 | 0 | 112.2 | F697 I721 F726 R741 L742 V748 L749 L765 I768 | F697-L745 HydrophobicContact CE1-CD2 4.11Å; F697-L745 HydrophobicContact CE2-CD2 4.45Å; F697-L745 HydrophobicContact CZ-CD2 3.75Å; I721-L745 HydrophobicContact CD1-CD2 4.5Å; F726-L745 HydrophobicContact CZ-CD1 4.34Å; R741-L745 WeakPolarHBondContact O-CB 3.11Å; R741-L745 PolarHBondContact O-N 3.33Å; L742-L745 HydrophobicContact CD2-CD2 4.09Å; L742-L745 PolarHBondContact O-N 2.78Å; L745-V748 PolarHBondContact O-N 3.18Å; L745-L749 HydrophobicContact CD1-CD1 3.89Å; L745-L749 HydrophobicContact CD1-CG 4.2Å; L745-L749 HydrophobicContact CG-CD1 4.03Å; L745-L749 WeakPolarHBondContact O-CB 3.14Å; L745-L749 PolarHBondContact O-N 2.83Å; L745-L765 HydrophobicContact CD1-CD2 3.14Å; L745-I768 HydrophobicContact CD2-CG2 3.81Å |
| 746 | R | 87.7 | Confident | 83.5 | Confident | 21 Ų | 21 | 42.2 Ų | 42.2 | 8% | 0.079 | 22% | 0.219 | C | C | . | . | H | α-helix | trans | -60.3 | -45.2 | 175.3 | 171.7 | 176.9 | 171 | -100.7 | 2.8 | 112 | V691 F694 Y701 D703 L742 C743 A744 V748 L749 L750 | V691-R746 VanDerWaalsContact CG1-NH2 3.35Å; F694-R746 HydrophobicContact CB-CG 4.46Å; F694-R746 HydrophobicContact CD1-CB 3.74Å; F694-R746 HydrophobicContact CD1-CG 3.9Å; F694-R746 HydrophobicContact CD2-CG 4.25Å; F694-R746 HydrophobicContact CE1-CB 3.97Å; F694-R746 HydrophobicContact CE1-CG 4.24Å; F694-R746 HydrophobicContact CG-CB 4.27Å; F694-R746 HydrophobicContact CG-CG 3.91Å; Y701-R746 VanDerWaalsContact O-CD 3.24Å; Y701-R746 WeakPolarHBondContact O-CD 3.41Å; Y701-R746 PolarHBondContact O-NE 3.33Å; D703-R746 PolarHBondContact O-NH2 3.23Å; L742-R746 WeakPolarHBondContact O-CB 3.49Å; L742-R746 PolarHBondContact O-N 3.35Å; C743-R746 WeakPolarHBondContact O-CB 3.43Å; C743-R746 PolarHBondContact O-N 3.46Å; A744-R746 VanDerWaalsContact C-N 3.31Å; A744-R746 PolarHBondContact O-N 2.87Å; R746-V748 VanDerWaalsContact C-N 3.33Å; R746-V748 PolarHBondContact O-N 3.38Å; R746-L749 PolarHBondContact O-N 3.22Å; R746-L750 HydrophobicContact CG-CD1 3.67Å; R746-L750 HydrophobicContact CG-CG 4.47Å; R746-L750 WeakPolarHBondContact O-CB 3.34Å; R746-L750 VanDerWaalsContact O-CG 3.28Å; R746-L750 WeakPolarHBondContact O-CG 3.35Å; R746-L750 PolarHBondContact O-N 2.92Å; R746-L750 VanDerWaalsContact O-N 3.1Å |
| 747 | Q | 84.9 | Confident | 83.5 | Confident | 68 Ų | 68 | 46.8 Ų | 46.8 | 32% | 0.318 | 24% | 0.238 | S | C | . | . | H | α-helix | trans | -63.2 | -40.9 | 178.2 | -70.2 | -171.3 | 4.5 | 0 | 0 | 112.2 | L733 I736 C743 A744 N751 | L733-Q747 HydrophobicContact CD2-CB 4.02Å; I736-Q747 VanDerWaalsContact CD1-OE1 3.28Å; C743-Q747 WeakPolarHBondContact O-CG 3.22Å; C743-Q747 PolarHBondContact O-N 2.91Å; A744-Q747 PolarHBondContact O-N 2.86Å; A744-Q747 VanDerWaalsContact O-N 3.17Å; Q747-N751 PolarHBondContact O-N 2.92Å |
| 748 | V | 84 | Confident | 83.4 | Confident | 2 Ų | 2 | 46 Ų | 46 | 1% | 0.012 | 24% | 0.235 | C | C | . | . | H | α-helix | trans | -60.3 | -52.8 | 176.2 | 163.8 | 0 | 0 | 0 | 0 | 111 | F729 L733 A744 L745 R746 L750 N751 I755 L758 L765 | F729-V748 HydrophobicContact CE2-CG2 4.17Å; F729-V748 HydrophobicContact CZ-CG2 4.09Å; L733-V748 HydrophobicContact CD1-CG2 4.08Å; L733-V748 HydrophobicContact CD2-CG2 4.32Å; A744-V748 WeakPolarHBondContact O-CG2 3.38Å; A744-V748 PolarHBondContact O-N 3Å; L745-V748 PolarHBondContact O-N 3.18Å; R746-V748 VanDerWaalsContact C-N 3.33Å; R746-V748 PolarHBondContact O-N 3.38Å; V748-L750 VanDerWaalsContact C-N 3.33Å; V748-L750 PolarHBondContact O-N 2.78Å; V748-N751 PolarHBondContact O-N 3.08Å; V748-I755 VanDerWaalsContact O-CG1 3.31Å; V748-I755 WeakPolarHBondContact O-CG1 3.21Å; V748-L758 HydrophobicContact CB-CD1 4.18Å; V748-L758 HydrophobicContact CG1-CD1 3.38Å; V748-L758 HydrophobicContact CG2-CD1 3.68Å; V748-L765 HydrophobicContact CG1-CD1 4.28Å |
| 749 | L | 85.9 | Confident | 83.6 | Confident | 2 Ų | 2 | 48.6 Ų | 48.6 | 1% | 0.01 | 24% | 0.243 | C | C | . | . | H | α-helix | trans | -75.5 | -16.5 | -172.2 | -74 | 178.8 | 0 | 0 | 0 | 114.5 | F686 L689 F694 L745 R746 I755 L765 | F686-L749 HydrophobicContact CD1-CD2 3.74Å; F686-L749 HydrophobicContact CE1-CD2 3.47Å; F686-L749 VanDerWaalsContact CE1-CD2 3.47Å; F686-L749 HydrophobicContact CG-CD2 4.45Å; F686-L749 HydrophobicContact CZ-CD2 3.95Å; L689-L749 HydrophobicContact CD1-CB 4Å; L689-L749 HydrophobicContact CD1-CD1 4.44Å; L689-L749 HydrophobicContact CD1-CD2 4.44Å; F694-L749 HydrophobicContact CE1-CB 3.9Å; F694-L749 HydrophobicContact CE1-CD1 3.98Å; F694-L749 HydrophobicContact CZ-CB 3.51Å; F694-L749 HydrophobicContact CZ-CD1 4.27Å; L745-L749 HydrophobicContact CD1-CD1 3.89Å; L745-L749 HydrophobicContact CD1-CG 4.2Å; L745-L749 HydrophobicContact CG-CD1 4.03Å; L745-L749 WeakPolarHBondContact O-CB 3.14Å; L745-L749 PolarHBondContact O-N 2.83Å; R746-L749 PolarHBondContact O-N 3.22Å; L749-I755 HydrophobicContact CD2-CD1 4.42Å; L749-I755 WeakPolarHBondContact O-CD1 3.43Å; L749-L765 HydrophobicContact CD2-CB 4.19Å; L749-L765 HydrophobicContact CD2-CD1 4.16Å; L749-L765 HydrophobicContact CD2-CD2 4.34Å; L749-L765 HydrophobicContact CD2-CG 4.49Å; L749-L765 HydrophobicContact CG-CD2 4.46Å |
| 750 | L | 85.1 | Confident | 83.7 | Confident | 61 Ų | 61 | 47.4 Ų | 47.4 | 32% | 0.319 | 24% | 0.241 | S | C | . | . | H | α-helix | trans | -86.5 | -12.8 | 172.7 | -72.1 | 170.7 | 0 | 0 | 0 | 113.2 | V691 F694 R746 V748 | V691-L750 HydrophobicContact CG2-CD1 3.86Å; V691-L750 HydrophobicContact CG2-CD2 4.03Å; F694-L750 HydrophobicContact CD2-CD1 4.47Å; F694-L750 HydrophobicContact CD2-CD2 4.17Å; F694-L750 HydrophobicContact CD2-CG 4.3Å; F694-L750 HydrophobicContact CE2-CD1 4.21Å; F694-L750 HydrophobicContact CE2-CD2 3.49Å; F694-L750 VanDerWaalsContact CE2-CD2 3.49Å; F694-L750 HydrophobicContact CE2-CG 3.59Å; F694-L750 HydrophobicContact CZ-CD2 4.32Å; F694-L750 HydrophobicContact CZ-CG 4.04Å; R746-L750 HydrophobicContact CG-CD1 3.67Å; R746-L750 HydrophobicContact CG-CG 4.47Å; R746-L750 WeakPolarHBondContact O-CB 3.34Å; R746-L750 VanDerWaalsContact O-CG 3.28Å; R746-L750 WeakPolarHBondContact O-CG 3.35Å; R746-L750 PolarHBondContact O-N 2.92Å; R746-L750 VanDerWaalsContact O-N 3.1Å; V748-L750 VanDerWaalsContact C-N 3.33Å; V748-L750 PolarHBondContact O-N 2.78Å |
| 751 | N | 85.8 | Confident | 83.8 | Confident | 64 Ų | 64 | 46.6 Ų | 46.6 | 34% | 0.342 | 24% | 0.236 | S | C | . | . | trans | -111.9 | 99.3 | -176 | -174.1 | -21.6 | 0 | 0 | 0 | 110.7 | Q747 V748 S753 M754 I755 | Q747-N751 PolarHBondContact O-N 2.92Å; V748-N751 PolarHBondContact O-N 3.08Å; N751-S753 PolarHBondContact O-N 3.34Å; N751-S753 VanDerWaalsContact OD1-CB 3.3Å; N751-S753 WeakPolarHBondContact OD1-CB 3.24Å; N751-S753 PolarHBondContact OD1-N 2.92Å; N751-M754 HydrophobicContact CB-CB 4.01Å; N751-M754 HydrophobicContact CB-CG 3.96Å; N751-M754 HydrophobicContact CB-SD 3.85Å; N751-M754 WeakPolarHBondContact O-CA 3.34Å; N751-M754 WeakPolarHBondContact O-CB 3.39Å; N751-M754 PolarHBondContact O-N 3.33Å; N751-M754 PolarHBondContact OD1-N 2.63Å; N751-I755 PolarHBondContact O-N 3.11Å | ||
| 752 | L | 82.1 | Confident | 83.7 | Confident | 92 Ų | 92 | 45.6 Ų | 45.6 | 48% | 0.482 | 23% | 0.234 | S | C | . | . | H | α-helix | trans | -51.9 | -33.4 | 177.8 | -77.3 | 160.2 | 0 | 0 | 0 | 113.5 | N687 N756 | N687-L752 WeakPolarHBondContact OD1-CD2 3.22Å; L752-N756 WeakPolarHBondContact O-CB 3.48Å; L752-N756 VanDerWaalsContact O-CG 3.3Å; L752-N756 PolarHBondContact O-N 2.77Å; L752-N756 VanDerWaalsContact O-N 3.08Å; L752-N756 PolarHBondContact O-ND2 3.18Å |
| 753 | S | 84.2 | Confident | 83.7 | Confident | 73 Ų | 73 | 48.5 Ų | 48.5 | 51% | 0.51 | 25% | 0.248 | S | C | . | . | H | α-helix | trans | -68.8 | -34.9 | 175.6 | -178.4 | 0 | 0 | 0 | 0 | 112.4 | N751 K757 | N751-S753 PolarHBondContact O-N 3.34Å; N751-S753 VanDerWaalsContact OD1-CB 3.3Å; N751-S753 WeakPolarHBondContact OD1-CB 3.24Å; N751-S753 PolarHBondContact OD1-N 2.92Å; S753-K757 PolarHBondContact O-N 3.49Å |
| 754 | M | 81 | Confident | 83.9 | Confident | 44 Ų | 44 | 48.5 Ų | 48.5 | 22% | 0.217 | 25% | 0.248 | C | C | . | . | H | α-helix | trans | -74.2 | -40.8 | 175.9 | -71.1 | 176.7 | 167.4 | 0 | 0 | 111.2 | L733 N751 N756 K757 L758 | L733-M754 HydrophobicContact CD1-CE 3.92Å; L733-M754 HydrophobicContact CD1-SD 3.95Å; L733-M754 HydrophobicContact CG-CE 4.4Å; N751-M754 HydrophobicContact CB-CB 4.01Å; N751-M754 HydrophobicContact CB-CG 3.96Å; N751-M754 HydrophobicContact CB-SD 3.85Å; N751-M754 WeakPolarHBondContact O-CA 3.34Å; N751-M754 WeakPolarHBondContact O-CB 3.39Å; N751-M754 PolarHBondContact O-N 3.33Å; N751-M754 PolarHBondContact OD1-N 2.63Å; M754-N756 VanDerWaalsContact C-N 3.28Å; M754-N756 PolarHBondContact O-N 3.25Å; M754-K757 WeakPolarHBondContact O-CA 3.49Å; M754-K757 WeakPolarHBondContact O-CB 3.17Å; M754-K757 PolarHBondContact O-N 3.37Å; M754-L758 PolarHBondContact O-N 2.95Å |
| 755 | I | 79.6 | Confident | 84.1 | Confident | 14 Ų | 14 | 48.5 Ų | 48.5 | 7% | 0.072 | 25% | 0.248 | C | C | . | . | H | α-helix | trans | -57.6 | -43.6 | 174.8 | -59.8 | 176.9 | 0 | 0 | 0 | 110.7 | F686 V748 L749 N751 K757 L758 K759 | F686-I755 HydrophobicContact CB-CD1 3.88Å; F686-I755 HydrophobicContact CD2-CG2 3.82Å; F686-I755 HydrophobicContact CE2-CG2 4.34Å; F686-I755 HydrophobicContact CG-CD1 4.19Å; F686-I755 HydrophobicContact CG-CG2 4.47Å; V748-I755 VanDerWaalsContact O-CG1 3.31Å; V748-I755 WeakPolarHBondContact O-CG1 3.21Å; L749-I755 HydrophobicContact CD2-CD1 4.42Å; L749-I755 WeakPolarHBondContact O-CD1 3.43Å; N751-I755 PolarHBondContact O-N 3.11Å; I755-K757 PolarHBondContact O-N 3.36Å; I755-L758 CarbonylContact O-C 3.58Å; I755-L758 VanDerWaalsContact O-C 3.31Å; I755-L758 PolarHBondContact O-N 3.05Å; I755-L758 VanDerWaalsContact O-N 3.12Å; I755-K759 PolarHBondContact O-N 3.08Å; I755-K759 VanDerWaalsContact O-N 3.12Å |
| 756 | N | 80.6 | Confident | 84.3 | Confident | 119 Ų | 119 | 48.4 Ų | 48.4 | 64% | 0.636 | 25% | 0.247 | S | C | * | . | H | α-helix | trans | -62.2 | -30.6 | 176.8 | -76.6 | -30.2 | 0 | 0 | 0 | 113.2 | L752 M754 | L752-N756 WeakPolarHBondContact O-CB 3.48Å; L752-N756 VanDerWaalsContact O-CG 3.3Å; L752-N756 PolarHBondContact O-N 2.77Å; L752-N756 VanDerWaalsContact O-N 3.08Å; L752-N756 PolarHBondContact O-ND2 3.18Å; M754-N756 VanDerWaalsContact C-N 3.28Å; M754-N756 PolarHBondContact O-N 3.25Å |
| 757 | K | 79.2 | Confident | 84.6 | Confident | 129 Ų | 129 | 48 Ų | 48 | 56% | 0.561 | 25% | 0.245 | S | C | * | . | H | α-helix | trans | -74.2 | -40.2 | 172.6 | -71.7 | -179.8 | 179.4 | -175.1 | 0 | 111.6 | Q728 S753 M754 I755 K759 | Q728-K757 PolarHBondContact OE1-O 3.19Å; S753-K757 PolarHBondContact O-N 3.49Å; M754-K757 WeakPolarHBondContact O-CA 3.49Å; M754-K757 WeakPolarHBondContact O-CB 3.17Å; M754-K757 PolarHBondContact O-N 3.37Å; I755-K757 PolarHBondContact O-N 3.36Å; K757-K759 PolarHBondContact O-N 3.26Å |
| 758 | L | 79.2 | Confident | 85 | Confident | 3 Ų | 3 | 44.7 Ų | 44.7 | 2% | 0.016 | 23% | 0.23 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -87.3 | 25.6 | 179.6 | -70.1 | 167.1 | 0 | 0 | 0 | 113.7 | F726 Q728 F729 V748 M754 I755 C760 D761 E762 | F726-L758 HydrophobicContact CB-CD2 4Å; Q728-L758 HydrophobicContact CB-CD2 3.99Å; F729-L758 HydrophobicContact CD2-CD1 4.35Å; F729-L758 HydrophobicContact CD2-CD2 4.11Å; F729-L758 HydrophobicContact CE2-CD1 3.97Å; F729-L758 HydrophobicContact CE2-CD2 4.3Å; V748-L758 HydrophobicContact CB-CD1 4.18Å; V748-L758 HydrophobicContact CG1-CD1 3.38Å; V748-L758 HydrophobicContact CG2-CD1 3.68Å; M754-L758 PolarHBondContact O-N 2.95Å; I755-L758 CarbonylContact O-C 3.58Å; I755-L758 VanDerWaalsContact O-C 3.31Å; I755-L758 PolarHBondContact O-N 3.05Å; I755-L758 VanDerWaalsContact O-N 3.12Å; L758-C760 PolarHBondContact O-N 3.1Å; L758-C760 VanDerWaalsContact O-N 3.12Å; L758-D761 PolarHBondContact O-N 3.19Å; L758-E762 PolarHBondContact O-N 3.15Å |
| 759 | K | 79.6 | Confident | 85.4 | Confident | 143 Ų | 143 | 45.2 Ų | 45.2 | 62% | 0.622 | 23% | 0.232 | S | C | * | . | G | 310 helix | trans | -59.6 | -26.5 | -178.3 | -171.4 | 176.3 | -179.9 | -177.3 | 0 | 113.5 | I755 K757 D761 E762 | I755-K759 PolarHBondContact O-N 3.08Å; I755-K759 VanDerWaalsContact O-N 3.12Å; K757-K759 PolarHBondContact O-N 3.26Å; K759-D761 PolarHBondContact O-N 2.67Å; K759-E762 WeakPolarHBondContact O-CB 3.35Å; K759-E762 PolarHBondContact O-N 3.25Å |
| 760 | C | 78.2 | Confident | 85.8 | Confident | 67 Ų | 67 | 45.7 Ų | 45.7 | 45% | 0.453 | 23% | 0.234 | S | C | . | . | G | 310 helix | trans | -55.7 | -32.6 | 170.9 | 54 | 0 | 0 | 0 | 0 | 114.1 | C727 L758 | C727-C760 HydrophobicContact CB-CB 3.78Å; C727-C760 WeakPolarHBondContact CB-SG 3.45Å; C727-C760 WeakPolarHBondContact SG-CB 2.9Å; C727-C760 CovalentContact SG-SG 1.98Å; C727-C760 PolarHBondContact SG-SG 2.93Å; L758-C760 PolarHBondContact O-N 3.1Å; L758-C760 VanDerWaalsContact O-N 3.12Å |
| 761 | D | 85.9 | Confident | 86.3 | Confident | 9 Ų | 9 | 42.8 Ų | 42.8 | 5% | 0.048 | 22% | 0.219 | C | C | . | . | G | 310 helix | trans | -112.3 | 10 | -171.8 | -56.8 | -31.5 | 0 | 0 | 0 | 111.6 | Y724 F726 C727 L758 K759 E763 Y764 L765 | Y724-D761 HydrophobicContact CE1-CB 4.37Å; Y724-D761 PolarHBondContact OH-OD1 3.22Å; F726-D761 VanDerWaalsContact CA-OD2 3.23Å; F726-D761 WeakPolarHBondContact CA-OD2 3.34Å; F726-D761 WeakPolarHBondContact CB-OD2 3.19Å; F726-D761 HydrophobicContact CD1-CB 3.94Å; F726-D761 WeakPolarHBondContact CD1-OD2 3.48Å; F726-D761 HydrophobicContact CE1-CB 4.48Å; C727-D761 PolarHBondContact N-OD2 2.9Å; L758-D761 PolarHBondContact O-N 3.19Å; K759-D761 PolarHBondContact O-N 2.67Å; D761-E763 PolarHBondContact O-N 3.33Å; D761-E763 VanDerWaalsContact O-N 3.16Å; D761-Y764 PolarHBondContact O-N 2.88Å; D761-L765 WeakPolarHBondContact O-CG 3.34Å; D761-L765 PolarHBondContact O-N 3.42Å |
| 762 | E | 86.6 | Confident | 86.7 | Confident | 39 Ų | 39 | 39.7 Ų | 39.7 | 18% | 0.182 | 20% | 0.203 | C | C | . | . | H | α-helix | trans | -50.9 | -39.5 | 179 | 165.1 | 164.8 | -154.3 | 0 | 0 | 112.1 | S682 F686 L758 K759 G766 | S682-E762 WeakPolarHBondContact CB-OE1 3.38Å; S682-E762 PolarHBondContact OG-OE1 3.33Å; F686-E762 HydrophobicContact CE2-CG 3.97Å; L758-E762 PolarHBondContact O-N 3.15Å; K759-E762 WeakPolarHBondContact O-CB 3.35Å; K759-E762 PolarHBondContact O-N 3.25Å; E762-G766 PolarHBondContact O-N 2.85Å; E762-G766 VanDerWaalsContact O-N 3.1Å |
| 763 | E | 88.8 | Confident | 87.2 | Confident | 65 Ų | 65 | 39.8 Ų | 39.8 | 30% | 0.304 | 20% | 0.2 | S | C | . | . | H | α-helix | trans | -65.3 | -49.4 | 176 | -174.5 | -175.4 | 177.9 | 0 | 0 | 112.1 | W550 K551 D761 L765 G766 R767 | W550-E763 HydrophobicContact CZ3-CG 4.31Å; K551-E763 IonicContact NZ-OE2 2.65Å; K551-E763 PolarHBondContact NZ-OE2 2.83Å; D761-E763 PolarHBondContact O-N 3.33Å; D761-E763 VanDerWaalsContact O-N 3.16Å; E763-L765 PolarHBondContact O-N 2.65Å; E763-G766 PolarHBondContact O-N 3.48Å; E763-R767 WeakPolarHBondContact O-CG 3.46Å; E763-R767 PolarHBondContact O-N 2.8Å; E763-R767 IonicContact OE1-CZ 3.7Å; E763-R767 VanDerWaalsContact OE1-CZ 3.31Å; E763-R767 IonicContact OE1-NE 2.74Å; E763-R767 PolarHBondContact OE1-NE 2.88Å; E763-R767 IonicContact OE1-NH2 3.48Å; E763-R767 PolarHBondContact OE1-NH2 2.9Å |
| 764 | Y | 90.5 | Very high | 87.7 | Confident | 0 Ų | 0 | 38.4 Ų | 38.4 | 0% | 0 | 19% | 0.185 | C | C | . | . | H | α-helix | trans | -61.3 | -47.7 | -179.2 | 177.3 | -107.8 | 0 | 0 | 0 | 111.2 | W550 I722 Y724 F726 D761 G766 R767 I768 S805 | W550-Y764 AromaticContact CD2-CD2 3.61Å; W550-Y764 HydrophobicContact CD2-CD2 3.61Å; W550-Y764 HydrophobicContact CD2-CE2 4.2Å; W550-Y764 AromaticContact CE2-CD2 3.56Å; W550-Y764 AromaticContact CE3-CD2 3.96Å; W550-Y764 HydrophobicContact CE3-CD2 3.96Å; W550-Y764 HydrophobicContact CG-CD2 4.02Å; W550-Y764 HydrophobicContact CG-CE2 4.11Å; W550-Y764 HydrophobicContact CH2-CD2 4.28Å; W550-Y764 HydrophobicContact CH2-CG 4.47Å; W550-Y764 AromaticContact CZ2-CD2 3.92Å; W550-Y764 HydrophobicContact CZ2-CD2 3.92Å; W550-Y764 HydrophobicContact CZ2-CG 4.19Å; W550-Y764 HydrophobicContact CZ3-CD2 4.29Å; W550-Y764 AromaticContact NE1-CD2 3.84Å; I722-Y764 WeakPolarHBondContact CG1-OH 3.31Å; Y724-Y764 AromaticContact CD1-CD1 3.51Å; Y724-Y764 HydrophobicContact CD1-CD1 3.51Å; Y724-Y764 AromaticContact CD1-CE1 3.37Å; Y724-Y764 HydrophobicContact CD1-CE1 3.37Å; Y724-Y764 HydrophobicContact CD1-CG 4.27Å; Y724-Y764 HydrophobicContact CD2-CE1 4.29Å; Y724-Y764 HydrophobicContact CD2-CE2 4.28Å; Y724-Y764 AromaticContact CE1-CD1 3.55Å; Y724-Y764 HydrophobicContact CE1-CD1 3.55Å; Y724-Y764 AromaticContact CE1-CE1 3.94Å; Y724-Y764 HydrophobicContact CE1-CE1 3.94Å; Y724-Y764 HydrophobicContact CE1-CG 4.01Å; Y724-Y764 HydrophobicContact CG-CD1 4.04Å; Y724-Y764 AromaticContact CG-CE1 3.55Å; Y724-Y764 HydrophobicContact CG-CE1 3.55Å; Y724-Y764 HydrophobicContact CG-CE2 4.3Å; Y724-Y764 AromaticContact CG-CZ 3.71Å; F726-Y764 AromaticContact CE1-CD1 3.73Å; F726-Y764 HydrophobicContact CE1-CD1 3.73Å; F726-Y764 AromaticContact CE1-CE1 3.97Å; F726-Y764 HydrophobicContact CE1-CE1 3.97Å; F726-Y764 HydrophobicContact CZ-CD1 4.1Å; F726-Y764 AromaticContact CZ-CE1 3.84Å; F726-Y764 HydrophobicContact CZ-CE1 3.84Å; D761-Y764 PolarHBondContact O-N 2.88Å; Y764-G766 VanDerWaalsContact C-N 3.3Å; Y764-G766 PolarHBondContact O-N 3.4Å; Y764-R767 PolarHBondContact O-N 3.16Å; Y764-I768 HydrophobicContact CD1-CG1 4.39Å; Y764-I768 HydrophobicContact CD2-CG1 4.34Å; Y764-I768 HydrophobicContact CE1-CG1 3.92Å; Y764-I768 HydrophobicContact CE2-CD1 4.14Å; Y764-I768 HydrophobicContact CE2-CG1 3.9Å; Y764-I768 WeakPolarHBondContact O-CG1 3.15Å; Y764-I768 PolarHBondContact O-N 2.78Å; Y764-S805 VanDerWaalsContact CE2-O 3.22Å; Y764-S805 WeakPolarHBondContact CE2-O 3.32Å |
| 765 | L | 89.6 | Confident | 88.4 | Confident | 1 Ų | 1 | 36.3 Ų | 36.3 | 1% | 0.005 | 17% | 0.174 | C | C | . | . | H | α-helix | trans | -56.3 | -44.2 | 177.1 | -71.2 | 174.2 | 0 | 0 | 0 | 111.9 | F686 F726 L745 V748 L749 D761 E763 Y769 | F686-L765 HydrophobicContact CE1-CB 4.44Å; F686-L765 HydrophobicContact CZ-CB 3.76Å; F726-L765 HydrophobicContact CD1-CD2 4.43Å; F726-L765 HydrophobicContact CE1-CD2 3.48Å; F726-L765 VanDerWaalsContact CE1-CD2 3.48Å; F726-L765 HydrophobicContact CE1-CG 4.06Å; F726-L765 HydrophobicContact CZ-CD2 4.02Å; L745-L765 HydrophobicContact CD1-CD2 3.14Å; V748-L765 HydrophobicContact CG1-CD1 4.28Å; L749-L765 HydrophobicContact CD2-CB 4.19Å; L749-L765 HydrophobicContact CD2-CD1 4.16Å; L749-L765 HydrophobicContact CD2-CD2 4.34Å; L749-L765 HydrophobicContact CD2-CG 4.49Å; L749-L765 HydrophobicContact CG-CD2 4.46Å; D761-L765 WeakPolarHBondContact O-CG 3.34Å; D761-L765 PolarHBondContact O-N 3.42Å; E763-L765 PolarHBondContact O-N 2.65Å; L765-Y769 WeakPolarHBondContact O-CB 3.24Å; L765-Y769 PolarHBondContact O-N 3.26Å |
| 766 | G | 91.6 | Very high | 89 | Confident | 0 Ų | 0 | 42.2 Ų | 42.2 | 0% | 0 | 20% | 0.196 | C | C | . | . | H | α-helix | trans | -67.9 | -39.6 | 178.7 | 0 | 0 | 0 | 0 | 0 | 113.1 | E762 E763 Y764 Y769 L770 | E762-G766 PolarHBondContact O-N 2.85Å; E762-G766 VanDerWaalsContact O-N 3.1Å; E763-G766 PolarHBondContact O-N 3.48Å; Y764-G766 VanDerWaalsContact C-N 3.3Å; Y764-G766 PolarHBondContact O-N 3.4Å; G766-Y769 PolarHBondContact O-N 3.14Å; G766-L770 VanDerWaalsContact O-CB 3.29Å; G766-L770 WeakPolarHBondContact O-CB 3.26Å; G766-L770 PolarHBondContact O-N 3.06Å |
| 767 | R | 93.5 | Very high | 89.6 | Confident | 12 Ų | 12 | 40.4 Ų | 40.4 | 5% | 0.045 | 19% | 0.186 | C | C | . | . | H | α-helix | trans | -62.5 | -50 | 175.5 | -69.9 | 179.9 | -178.4 | -130 | -1.9 | 111.9 | W550 Y678 F680 E763 Y764 Y769 L770 D771 | W550-R767 PolarHBondContact O-NH1 2.83Å; Y678-R767 HydrophobicContact CD1-CB 3.97Å; Y678-R767 HydrophobicContact CD1-CG 3.95Å; Y678-R767 HydrophobicContact CD2-CG 3.94Å; Y678-R767 HydrophobicContact CE1-CB 4.17Å; Y678-R767 HydrophobicContact CE1-CG 4.49Å; Y678-R767 HydrophobicContact CE2-CG 4.49Å; Y678-R767 HydrophobicContact CG-CB 4.21Å; Y678-R767 HydrophobicContact CG-CG 3.67Å; F680-R767 HydrophobicContact CE1-CG 3.91Å; F680-R767 HydrophobicContact CZ-CG 4.23Å; E763-R767 WeakPolarHBondContact O-CG 3.46Å; E763-R767 PolarHBondContact O-N 2.8Å; E763-R767 IonicContact OE1-CZ 3.7Å; E763-R767 VanDerWaalsContact OE1-CZ 3.31Å; E763-R767 IonicContact OE1-NE 2.74Å; E763-R767 PolarHBondContact OE1-NE 2.88Å; E763-R767 IonicContact OE1-NH2 3.48Å; E763-R767 PolarHBondContact OE1-NH2 2.9Å; Y764-R767 PolarHBondContact O-N 3.16Å; R767-Y769 VanDerWaalsContact C-N 3.34Å; R767-Y769 PolarHBondContact O-N 2.57Å; R767-L770 PolarHBondContact O-N 3.19Å; R767-D771 PolarHBondContact O-N 3.16Å |
| 768 | I | 93.3 | Very high | 90.3 | Very high | 0 Ų | 0 | 34.2 Ų | 34.2 | 0% | 0 | 16% | 0.159 | C | C | . | . | H | α-helix | trans | -58.5 | -46.7 | 177.6 | -71.8 | -74.1 | 0 | 0 | 0 | 110.9 | F697 I721 L745 Y764 A772 S805 L807 | F697-I768 HydrophobicContact CE1-CG2 3.8Å; F697-I768 HydrophobicContact CZ-CG2 3.95Å; I721-I768 HydrophobicContact CB-CD1 4.47Å; I721-I768 HydrophobicContact CG2-CD1 3.92Å; I721-I768 HydrophobicContact CG2-CG2 4.02Å; L745-I768 HydrophobicContact CD2-CG2 3.81Å; Y764-I768 HydrophobicContact CD1-CG1 4.39Å; Y764-I768 HydrophobicContact CD2-CG1 4.34Å; Y764-I768 HydrophobicContact CE1-CG1 3.92Å; Y764-I768 HydrophobicContact CE2-CD1 4.14Å; Y764-I768 HydrophobicContact CE2-CG1 3.9Å; Y764-I768 WeakPolarHBondContact O-CG1 3.15Å; Y764-I768 PolarHBondContact O-N 2.78Å; I768-A772 WeakPolarHBondContact O-CB 3.33Å; I768-A772 PolarHBondContact O-N 3.01Å; I768-S805 WeakPolarHBondContact CD1-O 3.39Å; I768-L807 HydrophobicContact CD1-CB 4.4Å |
| 769 | Y | 92.9 | Very high | 90.9 | Very high | 12 Ų | 12 | 34.8 Ų | 34.8 | 5% | 0.047 | 16% | 0.163 | C | C | . | . | H | α-helix | trans | -65.8 | -41.8 | -179.7 | -178.8 | -85.7 | 0 | 0 | 0 | 112 | L685 L689 D693 F697 L765 G766 R767 A772 K773 | L685-Y769 HydrophobicContact CD1-CD1 3.66Å; L685-Y769 HydrophobicContact CD1-CE1 3.57Å; L685-Y769 HydrophobicContact CD2-CD1 3.91Å; L685-Y769 HydrophobicContact CD2-CG 4.49Å; L685-Y769 HydrophobicContact CG-CD1 4.11Å; L685-Y769 HydrophobicContact CG-CE1 4.39Å; L689-Y769 HydrophobicContact CD2-CD2 4.28Å; L689-Y769 HydrophobicContact CD2-CE1 3.96Å; L689-Y769 HydrophobicContact CD2-CE2 3.5Å; L689-Y769 VanDerWaalsContact CD2-OH 3.3Å; L689-Y769 WeakPolarHBondContact CD2-OH 3.42Å; D693-Y769 WeakPolarHBondContact CB-OH 3.26Å; F697-Y769 HydrophobicContact CE2-CD2 4.08Å; L765-Y769 WeakPolarHBondContact O-CB 3.24Å; L765-Y769 PolarHBondContact O-N 3.26Å; G766-Y769 PolarHBondContact O-N 3.14Å; R767-Y769 VanDerWaalsContact C-N 3.34Å; R767-Y769 PolarHBondContact O-N 2.57Å; Y769-A772 PolarHBondContact O-N 2.74Å; Y769-K773 HydrophobicContact CE1-CB 4.27Å; Y769-K773 HydrophobicContact CE1-CD 4.19Å; Y769-K773 WeakPolarHBondContact O-CB 3.21Å; Y769-K773 PolarHBondContact O-N 3.15Å |
| 770 | L | 93.9 | Very high | 91.5 | Very high | 12 Ų | 12 | 30.2 Ų | 30.2 | 6% | 0.063 | 15% | 0.152 | C | C | . | . | H | α-helix | trans | -61.6 | -47.8 | 178.1 | -179.2 | 58.4 | 0 | 0 | 0 | 111 | N64 F65 Y678 F680 G766 R767 A772 K773 E774 | N64-L770 HydrophobicContact CB-CD1 4.29Å; N64-L770 HydrophobicContact CB-CD2 4.26Å; F65-L770 HydrophobicContact CE1-CD2 4.27Å; F65-L770 HydrophobicContact CE1-CG 4.27Å; F65-L770 HydrophobicContact CZ-CG 4.18Å; Y678-L770 HydrophobicContact CD1-CD2 4.05Å; F680-L770 HydrophobicContact CB-CD2 4.37Å; F680-L770 HydrophobicContact CD1-CD2 3.92Å; G766-L770 VanDerWaalsContact O-CB 3.29Å; G766-L770 WeakPolarHBondContact O-CB 3.26Å; G766-L770 PolarHBondContact O-N 3.06Å; R767-L770 PolarHBondContact O-N 3.19Å; L770-A772 VanDerWaalsContact C-N 3.31Å; L770-A772 PolarHBondContact O-N 3.12Å; L770-K773 PolarHBondContact O-N 3.26Å; L770-E774 HydrophobicContact CD1-CG 3.84Å; L770-E774 HydrophobicContact CG-CG 4.41Å; L770-E774 VanDerWaalsContact O-CG 3.3Å; L770-E774 WeakPolarHBondContact O-CG 3.04Å; L770-E774 PolarHBondContact O-N 3.44Å |
| 771 | D | 95.4 | Very high | 92.3 | Very high | 0 Ų | 0 | 29.1 Ų | 29.1 | 0% | 0 | 14% | 0.139 | C | C | . | . | H | α-helix | trans | -58.1 | -45.1 | 173.3 | -89.9 | -15.1 | 0 | 0 | 0 | 111.2 | F65 Y678 R767 K773 E774 T775 H803 S805 L807 | F65-D771 WeakPolarHBondContact CE1-OD1 3.26Å; Y678-D771 WeakPolarHBondContact CE1-OD1 3.42Å; Y678-D771 PolarHBondContact OH-OD2 2.93Å; R767-D771 PolarHBondContact O-N 3.16Å; D771-K773 VanDerWaalsContact C-N 3.34Å; D771-K773 PolarHBondContact O-N 2.97Å; D771-E774 PolarHBondContact O-N 3.5Å; D771-T775 VanDerWaalsContact O-CB 3.23Å; D771-T775 WeakPolarHBondContact O-CB 3.15Å; D771-T775 WeakPolarHBondContact O-CG2 3.15Å; D771-T775 PolarHBondContact O-N 3.38Å; D771-T775 PolarHBondContact O-OG1 3.49Å; D771-H803 WeakPolarHBondContact OD2-CB 3.35Å; D771-S805 WeakPolarHBondContact OD2-CB 3.21Å; D771-S805 PolarHBondContact OD2-OG 3.46Å; D771-L807 HydrophobicContact CB-CB 4.46Å; D771-L807 HydrophobicContact CB-CD2 3.92Å |
| 772 | A | 94.9 | Very high | 92.7 | Very high | 0 Ų | 0 | 28.7 Ų | 28.7 | 0% | 0 | 14% | 0.136 | C | C | . | . | H | α-helix | trans | -60.5 | -43.4 | 179.9 | 0 | 0 | 0 | 0 | 0 | 112.2 | F697 I768 Y769 L770 R776 L807 R809 | F697-A772 HydrophobicContact CD1-CB 3.54Å; F697-A772 HydrophobicContact CD2-CB 4.21Å; F697-A772 HydrophobicContact CE1-CB 3.3Å; F697-A772 HydrophobicContact CE2-CB 3.99Å; F697-A772 HydrophobicContact CG-CB 4Å; F697-A772 HydrophobicContact CZ-CB 3.53Å; I768-A772 WeakPolarHBondContact O-CB 3.33Å; I768-A772 PolarHBondContact O-N 3.01Å; Y769-A772 PolarHBondContact O-N 2.74Å; L770-A772 VanDerWaalsContact C-N 3.31Å; L770-A772 PolarHBondContact O-N 3.12Å; A772-R776 PolarHBondContact O-N 2.99Å; A772-L807 HydrophobicContact CB-CD2 4.15Å; A772-R809 PolarHBondContact O-NH2 3.42Å |
| 773 | K | 93.3 | Very high | 93 | Very high | 94 Ų | 94 | 32.7 Ų | 32.7 | 41% | 0.409 | 15% | 0.151 | S | C | . | . | H | α-helix | trans | -63 | -51.5 | 177.3 | -178 | -177.5 | 175.6 | -175.5 | 0 | 112.2 | Y769 L770 D771 T775 R776 | Y769-K773 HydrophobicContact CE1-CB 4.27Å; Y769-K773 HydrophobicContact CE1-CD 4.19Å; Y769-K773 WeakPolarHBondContact O-CB 3.21Å; Y769-K773 PolarHBondContact O-N 3.15Å; L770-K773 PolarHBondContact O-N 3.26Å; D771-K773 VanDerWaalsContact C-N 3.34Å; D771-K773 PolarHBondContact O-N 2.97Å; K773-T775 VanDerWaalsContact C-N 3.32Å; K773-T775 PolarHBondContact O-N 2.88Å; K773-R776 WeakPolarHBondContact O-CD 3.02Å; K773-R776 WeakPolarHBondContact O-CG 3.25Å |
| 774 | E | 94.4 | Very high | 93.2 | Very high | 43 Ų | 43 | 36.9 Ų | 36.9 | 20% | 0.201 | 17% | 0.168 | C | C | . | . | H | α-helix | trans | -72.1 | -29.2 | -174.2 | -63.6 | -60.6 | 154.5 | 0 | 0 | 112 | I59 N64 F65 L770 D771 | I59-E774 WeakPolarHBondContact CD1-O 3.19Å; I59-E774 HydrophobicContact CG2-CB 3.7Å; N64-E774 PolarHBondContact ND2-OE1 2.78Å; F65-E774 HydrophobicContact CE2-CB 4.13Å; F65-E774 HydrophobicContact CE2-CG 3.86Å; F65-E774 HydrophobicContact CZ-CB 4.07Å; F65-E774 HydrophobicContact CZ-CG 3.87Å; L770-E774 HydrophobicContact CD1-CG 3.84Å; L770-E774 HydrophobicContact CG-CG 4.41Å; L770-E774 VanDerWaalsContact O-CG 3.3Å; L770-E774 WeakPolarHBondContact O-CG 3.04Å; L770-E774 PolarHBondContact O-N 3.44Å; D771-E774 PolarHBondContact O-N 3.5Å |
| 775 | T | 95 | Very high | 93.2 | Very high | 0 Ų | 0 | 38.8 Ų | 38.8 | 0% | 0 | 18% | 0.177 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -99.2 | 5.8 | -176.2 | 68.6 | 0 | 0 | 0 | 0 | 113.5 | L56 D771 K773 D777 L778 H803 R809 | L56-T775 HydrophobicContact CD2-CG2 3.86Å; D771-T775 VanDerWaalsContact O-CB 3.23Å; D771-T775 WeakPolarHBondContact O-CB 3.15Å; D771-T775 WeakPolarHBondContact O-CG2 3.15Å; D771-T775 PolarHBondContact O-N 3.38Å; D771-T775 PolarHBondContact O-OG1 3.49Å; K773-T775 VanDerWaalsContact C-N 3.32Å; K773-T775 PolarHBondContact O-N 2.88Å; T775-D777 PolarHBondContact O-N 3.11Å; T775-D777 VanDerWaalsContact O-N 3.11Å; T775-L778 WeakPolarHBondContact O-CB 3.4Å; T775-L778 PolarHBondContact O-N 3.21Å; T775-H803 VanDerWaalsContact CG2-CE1 3.43Å; T775-H803 WeakPolarHBondContact CG2-CE1 3.09Å; T775-R809 PolarHBondContact OG1-NE 3.03Å |
| 776 | R | 93.1 | Very high | 93.1 | Very high | 139 Ų | 139 | 40.6 Ų | 40.6 | 53% | 0.525 | 19% | 0.19 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -55.5 | -30.8 | -175.3 | 73.2 | -176.2 | -176.4 | -176.2 | -4.9 | 114.6 | C696 A772 K773 P779 | C696-R776 HydrophobicContact CB-CB 4.24Å; A772-R776 PolarHBondContact O-N 2.99Å; K773-R776 WeakPolarHBondContact O-CD 3.02Å; K773-R776 WeakPolarHBondContact O-CG 3.25Å; R776-P779 WeakPolarHBondContact O-CD 3.21Å |
| 777 | D | 92.8 | Very high | 92.9 | Very high | 80 Ų | 80 | 48 Ų | 48 | 43% | 0.428 | 22% | 0.222 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -91.3 | 0.6 | -175 | -66.4 | -47.9 | 0 | 0 | 0 | 112.3 | Y55 T775 A780 Y781 | Y55-D777 VanDerWaalsContact OH-CB 3.28Å; Y55-D777 WeakPolarHBondContact OH-CB 3.26Å; T775-D777 PolarHBondContact O-N 3.11Å; T775-D777 VanDerWaalsContact O-N 3.11Å; D777-A780 WeakPolarHBondContact O-CB 3.22Å; D777-A780 PolarHBondContact O-N 2.86Å; D777-A780 VanDerWaalsContact O-N 3.12Å; D777-Y781 PolarHBondContact O-N 3Å; D777-Y781 VanDerWaalsContact O-N 3.08Å |
| 778 | L | 94.4 | Very high | 92.7 | Very high | 0 Ų | 0 | 49 Ų | 49 | 0% | 0 | 23% | 0.23 | C | C | . | . | H | α-helix | trans | -59.7 | -41.7 | 176.3 | -179.7 | 64.2 | 0 | 0 | 0 | 113.4 | Y55 L56 T775 A780 Y781 W782 S801 | Y55-L778 HydrophobicContact CD1-CB 4.46Å; Y55-L778 HydrophobicContact CD1-CD1 3.73Å; Y55-L778 HydrophobicContact CE1-CB 4.06Å; Y55-L778 HydrophobicContact CE1-CD1 4.19Å; L56-L778 HydrophobicContact CD1-CD2 4.23Å; L56-L778 HydrophobicContact CD2-CD1 4.31Å; L56-L778 HydrophobicContact CD2-CD2 4.09Å; L56-L778 HydrophobicContact CG-CD1 4.32Å; L56-L778 HydrophobicContact CG-CD2 4.45Å; T775-L778 WeakPolarHBondContact O-CB 3.4Å; T775-L778 PolarHBondContact O-N 3.21Å; L778-A780 VanDerWaalsContact C-N 3.26Å; L778-A780 PolarHBondContact O-N 3.16Å; L778-Y781 WeakPolarHBondContact O-CA 3.38Å; L778-Y781 VanDerWaalsContact O-CB 3.26Å; L778-Y781 WeakPolarHBondContact O-CB 3.28Å; L778-Y781 PolarHBondContact O-N 2.78Å; L778-Y781 VanDerWaalsContact O-N 3.09Å; L778-W782 HydrophobicContact CD1-CD2 4.32Å; L778-W782 HydrophobicContact CD1-CH2 4.4Å; L778-W782 HydrophobicContact CD1-CZ2 3.99Å; L778-W782 HydrophobicContact CD2-CH2 3.46Å; L778-W782 VanDerWaalsContact CD2-CH2 3.46Å; L778-W782 HydrophobicContact CD2-CZ2 3.77Å; L778-W782 HydrophobicContact CD2-CZ3 3.9Å; L778-W782 HydrophobicContact CG-CD2 4.16Å; L778-W782 HydrophobicContact CG-CE3 3.99Å; L778-W782 HydrophobicContact CG-CH2 3.74Å; L778-W782 HydrophobicContact CG-CZ2 3.85Å; L778-W782 HydrophobicContact CG-CZ3 3.81Å; L778-W782 PolarHBondContact O-N 3.5Å; L778-S801 WeakPolarHBondContact CD2-OG 3.45Å |
| 779 | P | 91.8 | Very high | 92.6 | Very high | 14 Ų | 14 | 53.5 Ų | 53.5 | 9% | 0.091 | 26% | 0.262 | C | S | . | . | H | α-helix | trans | -60.3 | -34.6 | 172.9 | -24.7 | 36.1 | 0 | 0 | 0 | 113.4 | I717 R776 Y781 W782 Y783 Y811 | I717-P779 HydrophobicContact CD1-CB 3.93Å; I717-P779 HydrophobicContact CG1-CB 4.18Å; I717-P779 HydrophobicContact CG2-CB 3.91Å; I717-P779 HydrophobicContact CG2-CG 3.86Å; R776-P779 WeakPolarHBondContact O-CD 3.21Å; P779-Y781 VanDerWaalsContact C-N 3.33Å; P779-W782 PolarHBondContact O-N 3.26Å; P779-Y783 WeakPolarHBondContact O-CB 3.41Å; P779-Y783 PolarHBondContact O-N 2.97Å; P779-Y811 HydrophobicContact CB-CD2 4.4Å |
| 780 | A | 92.1 | Very high | 92.3 | Very high | 48 Ų | 48 | 53.6 Ų | 53.6 | 40% | 0.397 | 27% | 0.265 | S | S | . | . | H | α-helix | trans | -69.6 | -33.1 | 175.7 | 0 | 0 | 0 | 0 | 0 | 111.8 | D777 L778 K784 | D777-A780 WeakPolarHBondContact O-CB 3.22Å; D777-A780 PolarHBondContact O-N 2.86Å; D777-A780 VanDerWaalsContact O-N 3.12Å; L778-A780 VanDerWaalsContact C-N 3.26Å; L778-A780 PolarHBondContact O-N 3.16Å; A780-K784 WeakPolarHBondContact O-CG 3.45Å; A780-K784 PolarHBondContact O-N 2.89Å; A780-K784 VanDerWaalsContact O-N 3.09Å |
| 781 | Y | 94.1 | Very high | 92.1 | Very high | 43 Ų | 43 | 53.8 Ų | 53.8 | 17% | 0.169 | 27% | 0.265 | C | S | . | . | H | α-helix | trans | -59.8 | -52.7 | 169.2 | 177.3 | -89.6 | 0 | 0 | 0 | 110.8 | T49 Y55 D777 L778 P779 Y783 K784 Q785 | T49-Y781 PolarHBondContact O-OH 3.11Å; Y55-Y781 HydrophobicContact CD2-CD2 4.07Å; Y55-Y781 HydrophobicContact CG-CD2 4.07Å; Y55-Y781 HydrophobicContact CG-CG 4.27Å; D777-Y781 PolarHBondContact O-N 3Å; D777-Y781 VanDerWaalsContact O-N 3.08Å; L778-Y781 WeakPolarHBondContact O-CA 3.38Å; L778-Y781 VanDerWaalsContact O-CB 3.26Å; L778-Y781 WeakPolarHBondContact O-CB 3.28Å; L778-Y781 PolarHBondContact O-N 2.78Å; L778-Y781 VanDerWaalsContact O-N 3.09Å; P779-Y781 VanDerWaalsContact C-N 3.33Å; Y781-Y783 VanDerWaalsContact C-N 3.34Å; Y781-Y783 PolarHBondContact O-N 3.03Å; Y781-K784 WeakPolarHBondContact O-CB 3.35Å; Y781-K784 PolarHBondContact O-N 3.29Å; Y781-K784 VanDerWaalsContact O-N 3.09Å; Y781-Q785 HydrophobicContact CD1-CG 4.09Å; Y781-Q785 HydrophobicContact CE1-CG 3.66Å; Y781-Q785 WeakPolarHBondContact O-CG 3Å; Y781-Q785 PolarHBondContact O-N 3.39Å; Y781-Q785 PolarHBondContact OH-NE2 2.84Å |
| 782 | W | 95 | Very high | 91.9 | Very high | 0 Ų | 0 | 59 Ų | 59 | 0% | 0 | 30% | 0.297 | C | S | . | . | H | α-helix | trans | -63.4 | -36.8 | 178.8 | -68.3 | -42.6 | 0 | 0 | 0 | 112.9 | I50 T51 L778 P779 K784 Q785 S786 A799 R809 Y811 F813 | I50-W782 PolarHBondContact O-NE1 3.07Å; T51-W782 PolarHBondContact O-NE1 3.38Å; T51-W782 VanDerWaalsContact O-NE1 3.1Å; L778-W782 HydrophobicContact CD1-CD2 4.32Å; L778-W782 HydrophobicContact CD1-CH2 4.4Å; L778-W782 HydrophobicContact CD1-CZ2 3.99Å; L778-W782 HydrophobicContact CD2-CH2 3.46Å; L778-W782 VanDerWaalsContact CD2-CH2 3.46Å; L778-W782 HydrophobicContact CD2-CZ2 3.77Å; L778-W782 HydrophobicContact CD2-CZ3 3.9Å; L778-W782 HydrophobicContact CG-CD2 4.16Å; L778-W782 HydrophobicContact CG-CE3 3.99Å; L778-W782 HydrophobicContact CG-CH2 3.74Å; L778-W782 HydrophobicContact CG-CZ2 3.85Å; L778-W782 HydrophobicContact CG-CZ3 3.81Å; L778-W782 PolarHBondContact O-N 3.5Å; P779-W782 PolarHBondContact O-N 3.26Å; W782-K784 VanDerWaalsContact C-N 3.32Å; W782-K784 PolarHBondContact O-N 3.11Å; W782-Q785 CarbonylContact O-C 3.57Å; W782-Q785 WeakPolarHBondContact O-CA 3.22Å; W782-Q785 WeakPolarHBondContact O-CB 3.46Å; W782-Q785 PolarHBondContact O-N 3.18Å; W782-Q785 VanDerWaalsContact O-N 3.07Å; W782-S786 PolarHBondContact O-N 3.37Å; W782-A799 HydrophobicContact CD2-CB 3.96Å; W782-A799 HydrophobicContact CG-CB 4.15Å; W782-A799 HydrophobicContact CZ2-CB 3.95Å; W782-R809 HydrophobicContact CH2-CB 4.46Å; W782-R809 HydrophobicContact CZ3-CB 4.37Å; W782-Y811 HydrophobicContact CB-CD1 4.14Å; W782-Y811 HydrophobicContact CB-CD2 4.1Å; W782-Y811 HydrophobicContact CB-CG 3.84Å; W782-Y811 HydrophobicContact CE3-CG 4.24Å; W782-F813 HydrophobicContact CB-CE1 4.49Å; W782-F813 HydrophobicContact CB-CZ 4.17Å; W782-F813 WeakPolarHBondContact O-CE1 3.15Å |
| 783 | Y | 93.1 | Very high | 91.7 | Very high | 123 Ų | 123 | 63.1 Ų | 63.1 | 48% | 0.482 | 32% | 0.315 | S | S | . | . | H | α-helix | trans | -60.2 | -38.5 | 172 | 177.4 | -96.8 | 0 | 0 | 0 | 112.7 | P779 Y781 Q785 S786 Y811 | P779-Y783 WeakPolarHBondContact O-CB 3.41Å; P779-Y783 PolarHBondContact O-N 2.97Å; Y781-Y783 VanDerWaalsContact C-N 3.34Å; Y781-Y783 PolarHBondContact O-N 3.03Å; Y783-Q785 VanDerWaalsContact C-N 3.34Å; Y783-S786 WeakPolarHBondContact O-CB 3.5Å; Y783-S786 PolarHBondContact O-N 3.27Å; Y783-S786 PolarHBondContact O-OG 3.22Å; Y783-Y811 WeakPolarHBondContact CD2-OH 3.32Å |
| 784 | K | 92.3 | Very high | 91.7 | Very high | 153 Ų | 153 | 58.8 Ų | 58.8 | 67% | 0.665 | 30% | 0.296 | S | S | * | . | H | α-helix | trans | -65.8 | -40.1 | 172.8 | -70.7 | 172.1 | -175.8 | 175.2 | 0 | 111.1 | A780 Y781 W782 S786 K787 | A780-K784 WeakPolarHBondContact O-CG 3.45Å; A780-K784 PolarHBondContact O-N 2.89Å; A780-K784 VanDerWaalsContact O-N 3.09Å; Y781-K784 WeakPolarHBondContact O-CB 3.35Å; Y781-K784 PolarHBondContact O-N 3.29Å; Y781-K784 VanDerWaalsContact O-N 3.09Å; W782-K784 VanDerWaalsContact C-N 3.32Å; W782-K784 PolarHBondContact O-N 3.11Å; K784-S786 VanDerWaalsContact C-N 3.27Å; K784-S786 PolarHBondContact O-N 3Å; K784-K787 PolarHBondContact O-N 3.27Å |
| 785 | Q | 90.6 | Very high | 91.6 | Very high | 41 Ų | 41 | 63 Ų | 63 | 19% | 0.192 | 31% | 0.314 | C | S | . | . | H | α-helix | trans | -66.9 | -25.9 | 176.6 | -63 | -56.7 | -22.8 | 0 | 0 | 113 | I50 Y781 W782 Y783 K787 S788 I791 | I50-Q785 HydrophobicContact CG2-CB 4.42Å; Y781-Q785 HydrophobicContact CD1-CG 4.09Å; Y781-Q785 HydrophobicContact CE1-CG 3.66Å; Y781-Q785 WeakPolarHBondContact O-CG 3Å; Y781-Q785 PolarHBondContact O-N 3.39Å; Y781-Q785 PolarHBondContact OH-NE2 2.84Å; W782-Q785 CarbonylContact O-C 3.57Å; W782-Q785 WeakPolarHBondContact O-CA 3.22Å; W782-Q785 WeakPolarHBondContact O-CB 3.46Å; W782-Q785 PolarHBondContact O-N 3.18Å; W782-Q785 VanDerWaalsContact O-N 3.07Å; Y783-Q785 VanDerWaalsContact C-N 3.34Å; Q785-K787 PolarHBondContact O-N 2.95Å; Q785-S788 WeakPolarHBondContact O-CB 3.03Å; Q785-S788 PolarHBondContact O-N 3.29Å; Q785-I791 WeakPolarHBondContact O-CG1 3.13Å |
| 786 | S | 88.9 | Confident | 91.5 | Very high | 39 Ų | 39 | 63 Ų | 63 | 27% | 0.273 | 31% | 0.314 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -58.7 | -18.2 | 178.6 | 88.3 | 0 | 0 | 0 | 0 | 113.6 | W782 Y783 K784 | W782-S786 PolarHBondContact O-N 3.37Å; Y783-S786 WeakPolarHBondContact O-CB 3.5Å; Y783-S786 PolarHBondContact O-N 3.27Å; Y783-S786 PolarHBondContact O-OG 3.22Å; K784-S786 VanDerWaalsContact C-N 3.27Å; K784-S786 PolarHBondContact O-N 3Å |
| 787 | K | 87.3 | Confident | 91.5 | Very high | 156 Ų | 156 | 57.1 Ų | 57.1 | 68% | 0.678 | 29% | 0.293 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -90.4 | -7.4 | 176.7 | -58.3 | -179.8 | -176.8 | 179.7 | 0 | 113.2 | K784 Q785 | K784-K787 PolarHBondContact O-N 3.27Å; Q785-K787 PolarHBondContact O-N 2.95Å |
| 788 | S | 88.3 | Confident | 91.6 | Very high | 31 Ų | 31 | 53.5 Ų | 53.5 | 22% | 0.217 | 27% | 0.273 | C | S | . | . | S | Bend | trans | -68.9 | 138.9 | 177.6 | 177.5 | 0 | 0 | 0 | 0 | 110.7 | Q785 S790 I791 | Q785-S788 WeakPolarHBondContact O-CB 3.03Å; Q785-S788 PolarHBondContact O-N 3.29Å; S788-S790 PolarHBondContact O-N 3.41Å; S788-S790 PolarHBondContact OG-N 2.98Å; S788-I791 PolarHBondContact O-N 3.4Å |
| 789 | S | 90.3 | Very high | 91.7 | Very high | 96 Ų | 96 | 53.5 Ų | 53.5 | 67% | 0.671 | 27% | 0.273 | S | S | * | . | H | α-helix | trans | -59.6 | -26 | 173.4 | 54.1 | 0 | 0 | 0 | 0 | 112.5 | I791 T792 K793 | S789-I791 VanDerWaalsContact C-N 3.35Å; S789-I791 PolarHBondContact O-N 3.33Å; S789-T792 PolarHBondContact O-N 3.45Å; S789-K793 WeakPolarHBondContact O-CB 3.48Å; S789-K793 PolarHBondContact O-N 3.28Å |
| 790 | S | 88 | Confident | 91.9 | Very high | 14 Ų | 14 | 52.9 Ų | 52.9 | 10% | 0.098 | 27% | 0.269 | C | S | . | . | H | α-helix | trans | -66.1 | -32.8 | 178.2 | -58.9 | 0 | 0 | 0 | 0 | 112.9 | S788 T792 K793 W794 | S788-S790 PolarHBondContact O-N 3.41Å; S788-S790 PolarHBondContact OG-N 2.98Å; S790-T792 VanDerWaalsContact C-N 3.34Å; S790-T792 PolarHBondContact O-N 3.43Å; S790-K793 PolarHBondContact O-N 3.39Å; S790-W794 WeakPolarHBondContact O-CB 3.26Å; S790-W794 PolarHBondContact O-N 2.92Å |
| 791 | I | 90.3 | Very high | 92.1 | Very high | 15 Ų | 15 | 50.6 Ų | 50.6 | 8% | 0.077 | 25% | 0.25 | C | C | . | . | H | α-helix | trans | -60.9 | -46.6 | 174.7 | -63.3 | -73.1 | 0 | 0 | 0 | 110.2 | I50 Q785 S788 S789 K795 I796 F813 | I50-I791 HydrophobicContact CD1-CD1 4.17Å; I50-I791 HydrophobicContact CG2-CD1 3.53Å; Q785-I791 WeakPolarHBondContact O-CG1 3.13Å; S788-I791 PolarHBondContact O-N 3.4Å; S789-I791 VanDerWaalsContact C-N 3.35Å; S789-I791 PolarHBondContact O-N 3.33Å; I791-K795 VanDerWaalsContact O-CA 3.31Å; I791-K795 WeakPolarHBondContact O-CA 3.29Å; I791-K795 PolarHBondContact O-N 2.84Å; I791-I796 HydrophobicContact CD1-CB 4.19Å; I791-I796 HydrophobicContact CD1-CD1 3.87Å; I791-I796 HydrophobicContact CD1-CG2 4.49Å; I791-I796 PolarHBondContact O-N 2.92Å; I791-I796 VanDerWaalsContact O-N 3.16Å; I791-F813 HydrophobicContact CD1-CD1 4.06Å; I791-F813 HydrophobicContact CD1-CD2 4.28Å; I791-F813 HydrophobicContact CD1-CE1 3.73Å; I791-F813 HydrophobicContact CD1-CE2 3.95Å; I791-F813 HydrophobicContact CD1-CG 4.33Å; I791-F813 HydrophobicContact CD1-CZ 3.67Å; I791-F813 HydrophobicContact CG1-CE1 4.5Å; I791-F813 HydrophobicContact CG2-CB 4.4Å; I791-F813 HydrophobicContact CG2-CD1 4.28Å; I791-F813 HydrophobicContact CG2-CG 4.31Å |
| 792 | T | 89.7 | Confident | 92.2 | Very high | 109 Ų | 109 | 48.7 Ų | 48.7 | 67% | 0.669 | 24% | 0.243 | S | C | * | . | H | α-helix | trans | -70.5 | -41.9 | 179.5 | -46.2 | 0 | 0 | 0 | 0 | 111.8 | S789 S790 W794 K795 | S789-T792 PolarHBondContact O-N 3.45Å; S790-T792 VanDerWaalsContact C-N 3.34Å; S790-T792 PolarHBondContact O-N 3.43Å; T792-W794 PolarHBondContact O-N 2.82Å; T792-K795 PolarHBondContact O-N 2.67Å |
| 793 | K | 91.4 | Very high | 92.2 | Very high | 88 Ų | 88 | 48.8 Ų | 48.8 | 38% | 0.383 | 24% | 0.243 | S | C | . | . | H | α-helix | trans | -56.8 | -49.8 | 177.5 | 176.6 | -176.7 | 170.2 | -172.8 | 0 | 111.6 | E46 S789 S790 | E46-K793 VanDerWaalsContact CD-NZ 3.26Å; E46-K793 IonicContact OE1-NZ 2.78Å; E46-K793 PolarHBondContact OE1-NZ 3.45Å; E46-K793 WeakPolarHBondContact OE2-CD 3.45Å; E46-K793 IonicContact OE2-NZ 2.72Å; E46-K793 PolarHBondContact OE2-NZ 2.98Å; S789-K793 WeakPolarHBondContact O-CB 3.48Å; S789-K793 PolarHBondContact O-N 3.28Å; S790-K793 PolarHBondContact O-N 3.39Å |
| 794 | W | 93.2 | Very high | 92.3 | Very high | 3 Ų | 3 | 43 Ų | 43 | 1% | 0.011 | 22% | 0.22 | C | C | . | . | H | α-helix | trans | -91.3 | -0.3 | -175.7 | -70.8 | 104.1 | 0 | 0 | 0 | 114 | S43 F44 E46 L47 S790 T792 I796 I894 Q898 E902 | S43-W794 WeakPolarHBondContact O-CZ2 3.26Å; F44-W794 AromaticContact CD1-CH2 3.62Å; F44-W794 HydrophobicContact CD1-CH2 3.62Å; F44-W794 HydrophobicContact CD1-CZ2 4.09Å; F44-W794 HydrophobicContact CD1-CZ3 4.43Å; F44-W794 AromaticContact CE1-CH2 3.6Å; F44-W794 HydrophobicContact CE1-CH2 3.6Å; F44-W794 HydrophobicContact CE1-CZ2 4.49Å; F44-W794 HydrophobicContact CE1-CZ3 4.21Å; E46-W794 PolarHBondContact OE2-NE1 3.4Å; L47-W794 HydrophobicContact CD1-CD2 4.18Å; L47-W794 HydrophobicContact CD1-CE3 4.35Å; L47-W794 HydrophobicContact CD1-CZ2 4.38Å; L47-W794 HydrophobicContact CD2-CB 3.87Å; L47-W794 HydrophobicContact CD2-CD2 3.89Å; L47-W794 HydrophobicContact CD2-CG 3.51Å; L47-W794 HydrophobicContact CG-CD2 4.24Å; L47-W794 HydrophobicContact CG-CG 4.3Å; S790-W794 WeakPolarHBondContact O-CB 3.26Å; S790-W794 PolarHBondContact O-N 2.92Å; T792-W794 PolarHBondContact O-N 2.82Å; W794-I796 HydrophobicContact CB-CD1 4.16Å; W794-I796 HydrophobicContact CB-CG1 3.79Å; W794-I796 PolarHBondContact O-N 3.21Å; W794-I894 HydrophobicContact CE3-CD1 4.29Å; W794-Q898 HydrophobicContact CE3-CB 4.32Å; W794-E902 HydrophobicContact CH2-CB 3.96Å; W794-E902 HydrophobicContact CH2-CG 3.79Å; W794-E902 HydrophobicContact CZ2-CG 4.26Å; W794-E902 HydrophobicContact CZ3-CB 4.27Å |
| 795 | K | 91.6 | Very high | 92.4 | Very high | 130 Ų | 130 | 35.7 Ų | 35.7 | 57% | 0.565 | 19% | 0.189 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 43.7 | 48 | -173.3 | -59.7 | -165.5 | -174.2 | 177.2 | 0 | 112.4 | I791 T792 Q797 Q898 | I791-K795 VanDerWaalsContact O-CA 3.31Å; I791-K795 WeakPolarHBondContact O-CA 3.29Å; I791-K795 PolarHBondContact O-N 2.84Å; T792-K795 PolarHBondContact O-N 2.67Å; K795-Q797 WeakPolarHBondContact O-CG 3.41Å; K795-Q797 PolarHBondContact O-N 2.86Å; K795-Q898 HydrophobicContact CB-CG 4.2Å; K795-Q898 HydrophobicContact CG-CG 4.26Å |
| 796 | I | 94.1 | Very high | 92.5 | Very high | 1 Ų | 1 | 33.8 Ų | 33.8 | 1% | 0.005 | 18% | 0.18 | C | C | . | . | trans | -62 | 126.7 | -177.3 | -62.3 | 167.5 | 0 | 0 | 0 | 108.6 | L47 I50 I791 W794 F813 L892 I894 | L47-I796 HydrophobicContact CD2-CD1 3.78Å; L47-I796 HydrophobicContact CD2-CG1 4.32Å; I50-I796 HydrophobicContact CB-CD1 4.48Å; I50-I796 HydrophobicContact CD1-CD1 3.36Å; I50-I796 HydrophobicContact CG2-CD1 4.09Å; I791-I796 HydrophobicContact CD1-CB 4.19Å; I791-I796 HydrophobicContact CD1-CD1 3.87Å; I791-I796 HydrophobicContact CD1-CG2 4.49Å; I791-I796 PolarHBondContact O-N 2.92Å; I791-I796 VanDerWaalsContact O-N 3.16Å; W794-I796 HydrophobicContact CB-CD1 4.16Å; W794-I796 HydrophobicContact CB-CG1 3.79Å; W794-I796 PolarHBondContact O-N 3.21Å; I796-F813 HydrophobicContact CB-CD2 4.43Å; I796-F813 HydrophobicContact CG2-CD2 3.76Å; I796-F813 HydrophobicContact CG2-CE2 3.87Å; I796-F813 WeakPolarHBondContact O-CB 3.46Å; I796-L892 HydrophobicContact CD1-CD1 3.99Å; I796-L892 HydrophobicContact CG2-CB 4.21Å; I796-L892 HydrophobicContact CG2-CD2 4.18Å; I796-I894 HydrophobicContact CB-CG2 4.38Å; I796-I894 HydrophobicContact CG1-CG2 3.74Å | ||
| 797 | Q | 92.9 | Very high | 92.8 | Very high | 16 Ų | 16 | 32 Ų | 32 | 8% | 0.075 | 17% | 0.167 | C | C | . | . | trans | -93.8 | -47.6 | -172.6 | -54.8 | -177.3 | -46.4 | 0 | 0 | 111.6 | K795 F813 T814 Q893 | K795-Q797 WeakPolarHBondContact O-CG 3.41Å; K795-Q797 PolarHBondContact O-N 2.86Å; Q797-F813 PolarHBondContact O-N 3.48Å; Q797-T814 WeakPolarHBondContact CA-OG1 2.8Å; Q797-T814 PolarHBondContact O-N 3.19Å; Q797-T814 VanDerWaalsContact O-N 3.11Å; Q797-Q893 PolarHBondContact N-O 3.04Å | ||
| 798 | Q | 93.9 | Very high | 93.2 | Very high | 4 Ų | 4 | 24.5 Ų | 24.5 | 2% | 0.019 | 14% | 0.135 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -141 | 143.2 | -176.7 | -179.3 | 178.6 | 73.5 | 0 | 0 | 110.3 | F810 Y811 N812 L892 Q893 | Q798-F810 HydrophobicContact CG-CB 4.36Å; Q798-Y811 CarbonylContact C-O 3.49Å; Q798-Y811 WeakPolarHBondContact CA-O 3.41Å; Q798-N812 WeakPolarHBondContact CG-OD1 3.48Å; Q798-N812 PolarHBondContact NE2-OD1 2.81Å; Q798-L892 CarbonylContact O-C 3.48Å; Q798-L892 WeakPolarHBondContact O-CA 3.16Å; Q798-Q893 HydrophobicContact CB-CB 4.22Å; Q798-Q893 PolarHBondContact O-N 2.84Å |
| 799 | A | 95.9 | Very high | 93.5 | Very high | 0 Ų | 0 | 23.2 Ų | 23.2 | 0% | 0 | 13% | 0.125 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.5 | 147.8 | 160.8 | 0 | 0 | 0 | 0 | 0 | 109.7 | W782 F810 Y811 F813 G891 L892 | W782-A799 HydrophobicContact CD2-CB 3.96Å; W782-A799 HydrophobicContact CG-CB 4.15Å; W782-A799 HydrophobicContact CZ2-CB 3.95Å; A799-F810 CarbonylContact O-C 3.48Å; A799-F810 VanDerWaalsContact O-CA 3.23Å; A799-F810 WeakPolarHBondContact O-CA 3.1Å; A799-Y811 PolarHBondContact N-O 2.82Å; A799-Y811 PolarHBondContact O-N 3.15Å; A799-F813 HydrophobicContact CB-CE2 3.76Å; A799-F813 HydrophobicContact CB-CZ 4.28Å; A799-G891 WeakPolarHBondContact CA-O 3.3Å; A799-L892 HydrophobicContact CB-CD2 3.59Å |
| 800 | F | 96 | Very high | 93.7 | Very high | 0 Ų | 0 | 20.5 Ų | 20.5 | 0% | 0 | 10% | 0.101 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -147.1 | 158.7 | -179.4 | 59.1 | -97.5 | 0 | 0 | 0 | 112.4 | F802 R809 F810 F821 I822 L833 T873 T875 V890 G891 | F800-F802 AromaticContact CD2-CD2 3.64Å; F800-F802 HydrophobicContact CD2-CD2 3.64Å; F800-F802 AromaticContact CD2-CE2 3.26Å; F800-F802 HydrophobicContact CD2-CE2 3.26Å; F800-F802 HydrophobicContact CD2-CZ 4.2Å; F800-F802 AromaticContact CE2-CD2 3.88Å; F800-F802 HydrophobicContact CE2-CD2 3.88Å; F800-F802 AromaticContact CE2-CE2 3.44Å; F800-F802 HydrophobicContact CE2-CE2 3.44Å; F800-F802 VanDerWaalsContact CE2-CE2 3.44Å; F800-F802 HydrophobicContact CG-CE2 4.21Å; F800-F802 HydrophobicContact CZ-CE2 4.47Å; F800-R809 CarbonylContact C-O 3.49Å; F800-R809 WeakPolarHBondContact CA-O 3.46Å; F800-F810 HydrophobicContact CB-CB 4.13Å; F800-F821 HydrophobicContact CD1-CD1 4.3Å; F800-F821 AromaticContact CD1-CE1 3.58Å; F800-F821 HydrophobicContact CD1-CE1 3.58Å; F800-F821 HydrophobicContact CD1-CZ 4.33Å; F800-F821 HydrophobicContact CD2-CE1 4.32Å; F800-F821 HydrophobicContact CE1-CD1 4.38Å; F800-F821 AromaticContact CE1-CE1 3.41Å; F800-F821 HydrophobicContact CE1-CE1 3.41Å; F800-F821 VanDerWaalsContact CE1-CE1 3.41Å; F800-F821 AromaticContact CE1-CZ 3.69Å; F800-F821 HydrophobicContact CE1-CZ 3.69Å; F800-F821 HydrophobicContact CE2-CE1 4.19Å; F800-F821 HydrophobicContact CE2-CZ 4.32Å; F800-F821 HydrophobicContact CG-CE1 4.04Å; F800-F821 AromaticContact CZ-CE1 3.74Å; F800-F821 HydrophobicContact CZ-CE1 3.74Å; F800-F821 AromaticContact CZ-CZ 3.69Å; F800-F821 HydrophobicContact CZ-CZ 3.69Å; F800-I822 HydrophobicContact CB-CD1 4Å; F800-L833 HydrophobicContact CE2-CD2 4.48Å; F800-T873 HydrophobicContact CE1-CG2 4.1Å; F800-T873 HydrophobicContact CZ-CG2 3.66Å; F800-T875 HydrophobicContact CE2-CG2 4.09Å; F800-T875 HydrophobicContact CZ-CG2 3.96Å; F800-V890 WeakPolarHBondContact O-CA 3.44Å; F800-G891 PolarHBondContact N-O 2.74Å; F800-G891 PolarHBondContact O-N 3.2Å |
| 801 | S | 96.7 | Very high | 94 | Very high | 0 Ų | 0 | 20 Ų | 20 | 0% | 0 | 10% | 0.097 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -138 | 129.4 | 173.4 | 63.9 | 0 | 0 | 0 | 0 | 111 | L778 H803 I808 R809 I889 | L778-S801 WeakPolarHBondContact CD2-OG 3.45Å; S801-H803 PolarHBondContact OG-NE2 2.89Å; S801-I808 WeakPolarHBondContact O-CA 3.39Å; S801-R809 PolarHBondContact N-O 3.19Å; S801-R809 PolarHBondContact O-N 2.89Å; S801-R809 WeakPolarHBondContact OG-CB 3.22Å; S801-I889 WeakPolarHBondContact CA-O 3.47Å |
| 802 | F | 96.5 | Very high | 94.1 | Very high | 4 Ų | 4 | 20.8 Ų | 20.8 | 2% | 0.018 | 10% | 0.102 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.3 | 115.6 | 171.8 | -61.7 | -84.1 | 0 | 0 | 0 | 108.2 | F800 I808 F821 I822 H825 L833 Y834 G888 I889 | F800-F802 AromaticContact CD2-CD2 3.64Å; F800-F802 HydrophobicContact CD2-CD2 3.64Å; F800-F802 AromaticContact CD2-CE2 3.26Å; F800-F802 HydrophobicContact CD2-CE2 3.26Å; F800-F802 HydrophobicContact CD2-CZ 4.2Å; F800-F802 AromaticContact CE2-CD2 3.88Å; F800-F802 HydrophobicContact CE2-CD2 3.88Å; F800-F802 AromaticContact CE2-CE2 3.44Å; F800-F802 HydrophobicContact CE2-CE2 3.44Å; F800-F802 VanDerWaalsContact CE2-CE2 3.44Å; F800-F802 HydrophobicContact CG-CE2 4.21Å; F800-F802 HydrophobicContact CZ-CE2 4.47Å; F802-I808 HydrophobicContact CD1-CB 4.32Å; F802-I808 HydrophobicContact CD1-CD1 3.83Å; F802-I808 HydrophobicContact CD1-CG1 3.72Å; F802-I808 HydrophobicContact CD1-CG2 3.79Å; F802-I808 HydrophobicContact CE1-CD1 3.84Å; F802-I808 HydrophobicContact CE1-CG1 4.12Å; F802-I808 HydrophobicContact CE1-CG2 3.66Å; F802-I808 HydrophobicContact CZ-CG2 4.45Å; F802-F821 HydrophobicContact CZ-CE1 4.43Å; F802-I822 HydrophobicContact CZ-CD1 4.48Å; F802-H825 HydrophobicContact CE1-CB 4.18Å; F802-H825 VanDerWaalsContact CE1-O 3.24Å; F802-H825 WeakPolarHBondContact CE1-O 3.39Å; F802-H825 HydrophobicContact CZ-CB 3.76Å; F802-L833 HydrophobicContact CE2-CD2 4.05Å; F802-Y834 HydrophobicContact CB-CD2 4.04Å; F802-Y834 HydrophobicContact CB-CE2 4.34Å; F802-G888 CarbonylContact O-C 3.58Å; F802-G888 WeakPolarHBondContact O-CA 3.13Å; F802-I889 HydrophobicContact CB-CG1 3.82Å; F802-I889 HydrophobicContact CD2-CD1 3.78Å; F802-I889 HydrophobicContact CD2-CG1 3.81Å; F802-I889 HydrophobicContact CE2-CD1 4.49Å; F802-I889 HydrophobicContact CG-CG1 4.27Å; F802-I889 PolarHBondContact N-O 3.05Å; F802-I889 PolarHBondContact O-N 3.37Å |
| 803 | H | 96 | Very high | 94.2 | Very high | 2 Ų | 2 | 17 Ų | 17 | 1% | 0.009 | 8% | 0.076 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -95 | 151.8 | -176.9 | -58.6 | -100.7 | 0 | 0 | 0 | 110.6 | Y60 D771 T775 S801 S805 G806 L807 | Y60-H803 PolarHBondContact OH-ND1 3.36Å; D771-H803 WeakPolarHBondContact OD2-CB 3.35Å; T775-H803 VanDerWaalsContact CG2-CE1 3.43Å; T775-H803 WeakPolarHBondContact CG2-CE1 3.09Å; S801-H803 PolarHBondContact OG-NE2 2.89Å; H803-S805 PolarHBondContact O-N 2.62Å; H803-G806 PolarHBondContact O-N 2.92Å; H803-L807 HydrophobicContact CB-CB 4.02Å; H803-L807 WeakPolarHBondContact CB-O 3.43Å; H803-L807 PolarHBondContact CD2-O 3.1Å; H803-L807 VanDerWaalsContact CD2-O 3.23Å; H803-L807 PolarHBondContact N-O 2.79Å |
| 804 | H | 95 | Very high | 94.1 | Very high | 1 Ų | 1 | 16.4 Ų | 16.4 | 1% | 0.005 | 8% | 0.08 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -61.8 | -29.5 | -177 | -177.9 | 74.8 | 0 | 0 | 0 | 113.5 | W550 P676 G806 V829 M887 | W550-H804 PolarHBondContact O-NE2 3.44Å; P676-H804 HydrophobicContact CB-CB 4.46Å; P676-H804 HydrophobicContact CG-CB 3.93Å; P676-H804 VanDerWaalsContact CG-CD2 3.49Å; P676-H804 WeakPolarHBondContact CG-CD2 3.43Å; H804-G806 PolarHBondContact O-N 3Å; H804-V829 HydrophobicContact CB-CG2 4.35Å; H804-V829 VanDerWaalsContact O-CG2 3.24Å; H804-V829 WeakPolarHBondContact O-CG2 3.34Å; H804-M887 VanDerWaalsContact CB-O 3.29Å; H804-M887 WeakPolarHBondContact CB-O 3.2Å; H804-M887 PolarHBondContact N-O 3.32Å |
| 805 | S | 93.4 | Very high | 93.7 | Very high | 0 Ų | 0 | 22 Ų | 22 | 0% | 0 | 11% | 0.114 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -64.9 | -18.6 | 174.2 | 60.8 | 0 | 0 | 0 | 0 | 113.8 | Y678 Y764 I768 D771 H803 L807 | Y678-S805 PolarHBondContact OH-N 3.09Å; Y764-S805 VanDerWaalsContact CE2-O 3.22Å; Y764-S805 WeakPolarHBondContact CE2-O 3.32Å; I768-S805 WeakPolarHBondContact CD1-O 3.39Å; D771-S805 WeakPolarHBondContact OD2-CB 3.21Å; D771-S805 PolarHBondContact OD2-OG 3.46Å; H803-S805 PolarHBondContact O-N 2.62Å; S805-L807 PolarHBondContact OG-N 3.09Å |
| 806 | G | 93.1 | Very high | 93.3 | Very high | 1 Ų | 1 | 16.5 Ų | 16.5 | 1% | 0.01 | 9% | 0.092 | C | C | . | . | S | Bend | trans | 99.3 | 4.9 | -170.8 | 0 | 0 | 0 | 0 | 0 | 113.9 | I721 I722 H803 H804 | I721-G806 CarbonylContact C-O 3.43Å; I721-G806 VanDerWaalsContact CA-O 3.29Å; I721-G806 WeakPolarHBondContact CA-O 3.39Å; I722-G806 PolarHBondContact N-O 2.93Å; H803-G806 PolarHBondContact O-N 2.92Å; H804-G806 PolarHBondContact O-N 3Å |
| 807 | L | 95.7 | Very high | 92.7 | Very high | 0 Ų | 0 | 18 Ų | 18 | 0% | 0 | 10% | 0.104 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -67.6 | 137.5 | 167.1 | -179.3 | 71 | 0 | 0 | 0 | 110.5 | F697 V719 I721 I768 D771 A772 H803 S805 R809 | F697-L807 HydrophobicContact CD1-CD1 4.12Å; F697-L807 HydrophobicContact CE1-CD1 4.15Å; V719-L807 HydrophobicContact CG2-CD1 3.73Å; I721-L807 HydrophobicContact CG2-CD1 4.19Å; I768-L807 HydrophobicContact CD1-CB 4.4Å; D771-L807 HydrophobicContact CB-CB 4.46Å; D771-L807 HydrophobicContact CB-CD2 3.92Å; A772-L807 HydrophobicContact CB-CD2 4.15Å; H803-L807 HydrophobicContact CB-CB 4.02Å; H803-L807 WeakPolarHBondContact CB-O 3.43Å; H803-L807 PolarHBondContact CD2-O 3.1Å; H803-L807 VanDerWaalsContact CD2-O 3.23Å; H803-L807 PolarHBondContact N-O 2.79Å; S805-L807 PolarHBondContact OG-N 3.09Å; L807-R809 HydrophobicContact CD2-CG 4.46Å; L807-R809 HydrophobicContact CG-CG 4.43Å |
| 808 | I | 95.3 | Very high | 92.1 | Very high | 0 Ų | 0 | 17.6 Ų | 17.6 | 0% | 0 | 10% | 0.102 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.7 | 126.9 | 176.6 | -51.1 | 175.7 | 0 | 0 | 0 | 108.5 | V719 T720 I722 S801 F802 I822 I826 | V719-I808 WeakPolarHBondContact CA-O 3.34Å; T720-I808 HydrophobicContact CG2-CB 3.92Å; T720-I808 HydrophobicContact CG2-CD1 4.25Å; T720-I808 HydrophobicContact CG2-CG1 4.5Å; T720-I808 HydrophobicContact CG2-CG2 4.46Å; T720-I808 PolarHBondContact N-O 3.34Å; T720-I808 PolarHBondContact O-N 2.79Å; I722-I808 HydrophobicContact CG2-CD1 4.38Å; S801-I808 WeakPolarHBondContact O-CA 3.39Å; F802-I808 HydrophobicContact CD1-CB 4.32Å; F802-I808 HydrophobicContact CD1-CD1 3.83Å; F802-I808 HydrophobicContact CD1-CG1 3.72Å; F802-I808 HydrophobicContact CD1-CG2 3.79Å; F802-I808 HydrophobicContact CE1-CD1 3.84Å; F802-I808 HydrophobicContact CE1-CG1 4.12Å; F802-I808 HydrophobicContact CE1-CG2 3.66Å; F802-I808 HydrophobicContact CZ-CG2 4.45Å; I808-I822 HydrophobicContact CG2-CD1 4.49Å; I808-I822 HydrophobicContact CG2-CG2 4.14Å; I808-I826 HydrophobicContact CD1-CG1 4.07Å |
| 809 | R | 94.9 | Very high | 91.4 | Very high | 3 Ų | 3 | 21.6 Ų | 21.6 | 1% | 0.011 | 13% | 0.129 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.6 | 146.8 | 173.1 | -59.3 | -179.7 | 171 | -78.6 | 6.1 | 110.1 | C696 F697 V719 A772 T775 W782 F800 S801 L807 | C696-R809 PolarHBondContact O-NH2 3.44Å; F697-R809 PolarHBondContact O-NH1 3.11Å; V719-R809 HydrophobicContact CG2-CG 4.18Å; A772-R809 PolarHBondContact O-NH2 3.42Å; T775-R809 PolarHBondContact OG1-NE 3.03Å; W782-R809 HydrophobicContact CH2-CB 4.46Å; W782-R809 HydrophobicContact CZ3-CB 4.37Å; F800-R809 CarbonylContact C-O 3.49Å; F800-R809 WeakPolarHBondContact CA-O 3.46Å; S801-R809 PolarHBondContact N-O 3.19Å; S801-R809 PolarHBondContact O-N 2.89Å; S801-R809 WeakPolarHBondContact OG-CB 3.22Å; L807-R809 HydrophobicContact CD2-CG 4.46Å; L807-R809 HydrophobicContact CG-CG 4.43Å |
| 810 | F | 93.9 | Very high | 90.8 | Very high | 40 Ų | 40 | 24.5 Ų | 24.5 | 18% | 0.175 | 14% | 0.144 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -145 | 154.3 | 173.9 | 62.2 | -90.4 | 0 | 0 | 0 | 112.2 | G718 Q798 A799 F800 I822 | G718-F810 VanDerWaalsContact CA-CZ 3.45Å; G718-F810 PolarHBondContact N-O 2.67Å; G718-F810 PolarHBondContact O-N 3.27Å; Q798-F810 HydrophobicContact CG-CB 4.36Å; A799-F810 CarbonylContact O-C 3.48Å; A799-F810 VanDerWaalsContact O-CA 3.23Å; A799-F810 WeakPolarHBondContact O-CA 3.1Å; F800-F810 HydrophobicContact CB-CB 4.13Å; F810-I822 HydrophobicContact CB-CD1 3.97Å; F810-I822 HydrophobicContact CB-CG1 4.26Å; F810-I822 HydrophobicContact CD1-CD1 4.19Å; F810-I822 HydrophobicContact CD1-CG1 3.89Å; F810-I822 HydrophobicContact CD1-CG2 4.05Å; F810-I822 HydrophobicContact CE1-CG1 4.34Å; F810-I822 HydrophobicContact CE1-CG2 4.08Å; F810-I822 HydrophobicContact CG-CD1 4.26Å; F810-I822 HydrophobicContact CG-CG1 4.04Å |
| 811 | Y | 94.1 | Very high | 90.3 | Very high | 3 Ų | 3 | 24.6 Ų | 24.6 | 1% | 0.012 | 14% | 0.144 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -136.4 | 118.9 | 177.7 | -172.4 | -77.1 | 0 | 0 | 0 | 109.6 | Q716 I717 P779 W782 Y783 Q798 A799 F813 | Q716-Y811 VanDerWaalsContact CD-OH 3.23Å; Q716-Y811 HydrophobicContact CG-CE1 4.15Å; Q716-Y811 HydrophobicContact CG-CE2 4.37Å; Q716-Y811 PolarHBondContact NE2-OH 3.23Å; Q716-Y811 WeakPolarHBondContact O-CA 3.22Å; I717-Y811 HydrophobicContact CD1-CE2 4.44Å; I717-Y811 HydrophobicContact CG1-CD2 3.8Å; I717-Y811 HydrophobicContact CG1-CE2 3.86Å; P779-Y811 HydrophobicContact CB-CD2 4.4Å; W782-Y811 HydrophobicContact CB-CD1 4.14Å; W782-Y811 HydrophobicContact CB-CD2 4.1Å; W782-Y811 HydrophobicContact CB-CG 3.84Å; W782-Y811 HydrophobicContact CE3-CG 4.24Å; Y783-Y811 WeakPolarHBondContact CD2-OH 3.32Å; Q798-Y811 CarbonylContact C-O 3.49Å; Q798-Y811 WeakPolarHBondContact CA-O 3.41Å; A799-Y811 PolarHBondContact N-O 2.82Å; A799-Y811 PolarHBondContact O-N 3.15Å; Y811-F813 AromaticContact CD1-CD1 3.88Å; Y811-F813 HydrophobicContact CD1-CD1 3.88Å; Y811-F813 HydrophobicContact CD1-CD2 4.43Å; Y811-F813 AromaticContact CD1-CE1 3.79Å; Y811-F813 HydrophobicContact CD1-CE1 3.79Å; Y811-F813 HydrophobicContact CD1-CE2 4.36Å; Y811-F813 HydrophobicContact CD1-CG 4.21Å; Y811-F813 HydrophobicContact CD1-CZ 4.04Å; Y811-F813 AromaticContact CE1-CD1 3.67Å; Y811-F813 HydrophobicContact CE1-CD1 3.67Å; Y811-F813 AromaticContact CE1-CE1 3.77Å; Y811-F813 HydrophobicContact CE1-CE1 3.77Å; Y811-F813 HydrophobicContact CE1-CG 4.3Å; Y811-F813 HydrophobicContact CE1-CZ 4.48Å |
| 812 | N | 92.6 | Very high | 90 | Very high | 31 Ų | 31 | 25.1 Ų | 25.1 | 17% | 0.166 | 15% | 0.147 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -89.3 | 112.8 | 178.9 | -65.6 | -21.9 | 0 | 0 | 0 | 109.2 | Q716 Q798 | Q716-N812 WeakPolarHBondContact CG-O 3.45Å; Q716-N812 PolarHBondContact NE2-O 2.92Å; Q716-N812 PolarHBondContact O-N 3.48Å; Q798-N812 WeakPolarHBondContact CG-OD1 3.48Å; Q798-N812 PolarHBondContact NE2-OD1 2.81Å |
| 813 | F | 92.2 | Very high | 89.4 | Confident | 29 Ų | 29 | 28.8 Ų | 28.8 | 13% | 0.127 | 17% | 0.17 | C | C | . | . | S | Bend | trans | -76.3 | -37.5 | 169.7 | -61.3 | -76.9 | 0 | 0 | 0 | 110.8 | I50 W782 I791 I796 Q797 A799 Y811 | I50-F813 HydrophobicContact CG2-CZ 4.43Å; W782-F813 HydrophobicContact CB-CE1 4.49Å; W782-F813 HydrophobicContact CB-CZ 4.17Å; W782-F813 WeakPolarHBondContact O-CE1 3.15Å; I791-F813 HydrophobicContact CD1-CD1 4.06Å; I791-F813 HydrophobicContact CD1-CD2 4.28Å; I791-F813 HydrophobicContact CD1-CE1 3.73Å; I791-F813 HydrophobicContact CD1-CE2 3.95Å; I791-F813 HydrophobicContact CD1-CG 4.33Å; I791-F813 HydrophobicContact CD1-CZ 3.67Å; I791-F813 HydrophobicContact CG1-CE1 4.5Å; I791-F813 HydrophobicContact CG2-CB 4.4Å; I791-F813 HydrophobicContact CG2-CD1 4.28Å; I791-F813 HydrophobicContact CG2-CG 4.31Å; I796-F813 HydrophobicContact CB-CD2 4.43Å; I796-F813 HydrophobicContact CG2-CD2 3.76Å; I796-F813 HydrophobicContact CG2-CE2 3.87Å; I796-F813 WeakPolarHBondContact O-CB 3.46Å; Q797-F813 PolarHBondContact O-N 3.48Å; A799-F813 HydrophobicContact CB-CE2 3.76Å; A799-F813 HydrophobicContact CB-CZ 4.28Å; Y811-F813 AromaticContact CD1-CD1 3.88Å; Y811-F813 HydrophobicContact CD1-CD1 3.88Å; Y811-F813 HydrophobicContact CD1-CD2 4.43Å; Y811-F813 AromaticContact CD1-CE1 3.79Å; Y811-F813 HydrophobicContact CD1-CE1 3.79Å; Y811-F813 HydrophobicContact CD1-CE2 4.36Å; Y811-F813 HydrophobicContact CD1-CG 4.21Å; Y811-F813 HydrophobicContact CD1-CZ 4.04Å; Y811-F813 AromaticContact CE1-CD1 3.67Å; Y811-F813 HydrophobicContact CE1-CD1 3.67Å; Y811-F813 AromaticContact CE1-CE1 3.77Å; Y811-F813 HydrophobicContact CE1-CE1 3.77Å; Y811-F813 HydrophobicContact CE1-CG 4.3Å; Y811-F813 HydrophobicContact CE1-CZ 4.48Å |
| 814 | T | 89 | Confident | 88.8 | Confident | 76 Ų | 76 | 29 Ų | 29 | 47% | 0.466 | 17% | 0.171 | S | C | . | . | S | Bend | trans | -136.5 | 177.3 | 172.2 | 65.7 | 0 | 0 | 0 | 0 | 109.2 | Q797 P816 | Q797-T814 WeakPolarHBondContact CA-OG1 2.8Å; Q797-T814 PolarHBondContact O-N 3.19Å; Q797-T814 VanDerWaalsContact O-N 3.11Å; T814-P816 WeakPolarHBondContact O-CD 3.13Å |
| 815 | V | 85 | Confident | 88.5 | Confident | 122 Ų | 122 | 30.1 Ų | 30.1 | 74% | 0.739 | 18% | 0.176 | S | C | * | . | trans | -61.9 | 122.9 | 168.1 | -177.3 | 0 | 0 | 0 | 0 | 108 | ||||
| 816 | P | 84.1 | Confident | 88.3 | Confident | 13 Ų | 13 | 31.6 Ų | 31.6 | 8% | 0.084 | 18% | 0.184 | C | C | . | . | trans | -63.8 | 142.5 | 177.6 | 25.6 | -33.3 | 0 | 0 | 0 | 110.6 | T814 Y818 | T814-P816 WeakPolarHBondContact O-CD 3.13Å; P816-Y818 PolarHBondContact O-N 2.75Å | ||
| 817 | A | 80.9 | Confident | 88 | Confident | 33 Ų | 33 | 32.5 Ų | 32.5 | 27% | 0.273 | 19% | 0.193 | S | C | . | . | S | Bend | trans | -60.7 | -23.9 | 172 | 0 | 0 | 0 | 0 | 0 | 111.3 | P871 | A817-P871 HydrophobicContact CB-CB 4.32Š|
| 818 | Y | 80.6 | Confident | 87.7 | Confident | 8 Ų | 8 | 32.5 Ų | 32.5 | 3% | 0.031 | 19% | 0.193 | C | C | . | . | trans | -129.9 | 91.8 | 177 | -176.5 | -126.5 | 0 | 0 | 0 | 112.2 | D495 T496 M497 P816 N820 F821 D824 | D495-Y818 PolarHBondContact O-OH 3.22Å; T496-Y818 VanDerWaalsContact CA-OH 3.23Å; T496-Y818 WeakPolarHBondContact CA-OH 3.46Å; M497-Y818 HydrophobicContact CB-CD1 4.19Å; M497-Y818 HydrophobicContact CB-CE1 3.59Å; M497-Y818 HydrophobicContact CB-CE2 4.44Å; M497-Y818 HydrophobicContact CE-CD1 4.03Å; M497-Y818 HydrophobicContact CE-CD2 3.84Å; M497-Y818 HydrophobicContact CE-CG 3.58Å; M497-Y818 HydrophobicContact CG-CD1 3.55Å; M497-Y818 HydrophobicContact CG-CD2 3.82Å; M497-Y818 HydrophobicContact CG-CE1 3.35Å; M497-Y818 HydrophobicContact CG-CE2 3.69Å; M497-Y818 HydrophobicContact CG-CG 3.79Å; M497-Y818 VanDerWaalsContact CG-CZ 3.47Å; M497-Y818 PolarHBondContact N-OH 3.06Å; M497-Y818 HydrophobicContact SD-CD1 3.19Å; M497-Y818 WeakPolarHBondContact SD-CD1 3.47Å; M497-Y818 HydrophobicContact SD-CD2 4.02Å; M497-Y818 HydrophobicContact SD-CE1 3.66Å; M497-Y818 HydrophobicContact SD-CE2 4.44Å; M497-Y818 HydrophobicContact SD-CG 3.43Å; P816-Y818 PolarHBondContact O-N 2.75Å; Y818-N820 VanDerWaalsContact C-N 3.28Å; Y818-N820 HydrophobicContact CE1-CB 4.47Å; Y818-N820 HydrophobicContact CE2-CB 3.8Å; Y818-N820 PolarHBondContact O-N 2.81Å; Y818-N820 WeakPolarHBondContact OH-CB 3.27Å; Y818-F821 HydrophobicContact CD1-CB 3.61Å; Y818-F821 HydrophobicContact CD1-CD2 4.25Å; Y818-F821 HydrophobicContact CD1-CG 4.45Å; Y818-F821 HydrophobicContact CE1-CB 4Å; Y818-F821 VanDerWaalsContact CE1-N 3.31Å; Y818-F821 WeakPolarHBondContact O-CB 2.91Å; Y818-F821 PolarHBondContact O-N 2.97Å; Y818-D824 PolarHBondContact OH-OD1 2.93Å; Y818-D824 PolarHBondContact OH-OD2 3.01Å | ||
| 819 | P | 79.7 | Confident | 87.5 | Confident | 88 Ų | 88 | 32.9 Ų | 32.9 | 57% | 0.571 | 20% | 0.195 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -62.6 | -29 | -176.4 | -25.4 | 35.6 | 0 | 0 | 0 | 115 | F821 | P819-F821 VanDerWaalsContact C-N 3.27Å; P819-F821 PolarHBondContact O-N 3.43Å |
| 820 | N | 81.6 | Confident | 87.2 | Confident | 60 Ų | 60 | 36.9 Ų | 36.9 | 32% | 0.321 | 21% | 0.214 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -85.5 | 7.1 | -176.8 | -66 | -17 | 0 | 0 | 0 | 113.3 | D495 Y818 I822 T823 D824 | D495-N820 WeakPolarHBondContact O-CB 3.25Å; D495-N820 PolarHBondContact O-ND2 3.42Å; Y818-N820 VanDerWaalsContact C-N 3.28Å; Y818-N820 HydrophobicContact CE1-CB 4.47Å; Y818-N820 HydrophobicContact CE2-CB 3.8Å; Y818-N820 PolarHBondContact O-N 2.81Å; Y818-N820 WeakPolarHBondContact OH-CB 3.27Å; N820-I822 VanDerWaalsContact C-N 3.34Å; N820-I822 PolarHBondContact O-N 2.83Å; N820-T823 VanDerWaalsContact CA-OG1 3.29Å; N820-T823 WeakPolarHBondContact CA-OG1 3.46Å; N820-T823 WeakPolarHBondContact CB-OG1 2.99Å; N820-T823 PolarHBondContact O-N 2.93Å; N820-T823 VanDerWaalsContact O-N 3.15Å; N820-T823 PolarHBondContact O-OG1 3.04Å; N820-D824 WeakPolarHBondContact O-CB 3.24Å; N820-D824 PolarHBondContact O-N 3.31Å |
| 821 | F | 87.2 | Confident | 87 | Confident | 3 Ų | 3 | 35.5 Ų | 35.5 | 1% | 0.013 | 21% | 0.209 | C | C | . | . | H | α-helix | trans | -52.7 | -47.5 | -179.5 | 179.3 | -100.2 | 0 | 0 | 0 | 113.5 | F800 F802 Y818 P819 D824 H825 L833 T873 | F800-F821 HydrophobicContact CD1-CD1 4.3Å; F800-F821 AromaticContact CD1-CE1 3.58Å; F800-F821 HydrophobicContact CD1-CE1 3.58Å; F800-F821 HydrophobicContact CD1-CZ 4.33Å; F800-F821 HydrophobicContact CD2-CE1 4.32Å; F800-F821 HydrophobicContact CE1-CD1 4.38Å; F800-F821 AromaticContact CE1-CE1 3.41Å; F800-F821 HydrophobicContact CE1-CE1 3.41Å; F800-F821 VanDerWaalsContact CE1-CE1 3.41Å; F800-F821 AromaticContact CE1-CZ 3.69Å; F800-F821 HydrophobicContact CE1-CZ 3.69Å; F800-F821 HydrophobicContact CE2-CE1 4.19Å; F800-F821 HydrophobicContact CE2-CZ 4.32Å; F800-F821 HydrophobicContact CG-CE1 4.04Å; F800-F821 AromaticContact CZ-CE1 3.74Å; F800-F821 HydrophobicContact CZ-CE1 3.74Å; F800-F821 AromaticContact CZ-CZ 3.69Å; F800-F821 HydrophobicContact CZ-CZ 3.69Å; F802-F821 HydrophobicContact CZ-CE1 4.43Å; Y818-F821 HydrophobicContact CD1-CB 3.61Å; Y818-F821 HydrophobicContact CD1-CD2 4.25Å; Y818-F821 HydrophobicContact CD1-CG 4.45Å; Y818-F821 HydrophobicContact CE1-CB 4Å; Y818-F821 VanDerWaalsContact CE1-N 3.31Å; Y818-F821 WeakPolarHBondContact O-CB 2.91Å; Y818-F821 PolarHBondContact O-N 2.97Å; P819-F821 VanDerWaalsContact C-N 3.27Å; P819-F821 PolarHBondContact O-N 3.43Å; F821-D824 PolarHBondContact O-N 3.42Å; F821-H825 AromaticContact CD2-CD2 3.63Å; F821-H825 AromaticContact CE2-CD2 3.3Å; F821-H825 WeakPolarHBondContact CE2-CD2 3.06Å; F821-H825 AromaticContact CE2-NE2 3.6Å; F821-H825 AromaticContact CZ-CD2 3.73Å; F821-H825 PolarHBondContact O-CD2 3.39Å; F821-H825 PolarHBondContact O-N 3.22Å; F821-L833 HydrophobicContact CE2-CD2 4.35Å; F821-L833 HydrophobicContact CZ-CD2 3.72Å; F821-T873 HydrophobicContact CE2-CG2 3.93Å; F821-T873 WeakPolarHBondContact CE2-OG1 3.49Å; F821-T873 HydrophobicContact CZ-CG2 3.71Å |
| 822 | I | 88.6 | Confident | 86.6 | Confident | 11 Ų | 11 | 38 Ų | 38 | 6% | 0.056 | 23% | 0.227 | C | C | . | . | H | α-helix | trans | -70.4 | -35.1 | -177.8 | -60.8 | -64.6 | 0 | 0 | 0 | 111.5 | T720 F800 F802 I808 F810 N820 I826 | T720-I822 HydrophobicContact CG2-CG2 4.33Å; F800-I822 HydrophobicContact CB-CD1 4Å; F802-I822 HydrophobicContact CZ-CD1 4.48Å; I808-I822 HydrophobicContact CG2-CD1 4.49Å; I808-I822 HydrophobicContact CG2-CG2 4.14Å; F810-I822 HydrophobicContact CB-CD1 3.97Å; F810-I822 HydrophobicContact CB-CG1 4.26Å; F810-I822 HydrophobicContact CD1-CD1 4.19Å; F810-I822 HydrophobicContact CD1-CG1 3.89Å; F810-I822 HydrophobicContact CD1-CG2 4.05Å; F810-I822 HydrophobicContact CE1-CG1 4.34Å; F810-I822 HydrophobicContact CE1-CG2 4.08Å; F810-I822 HydrophobicContact CG-CD1 4.26Å; F810-I822 HydrophobicContact CG-CG1 4.04Å; N820-I822 VanDerWaalsContact C-N 3.34Å; N820-I822 PolarHBondContact O-N 2.83Å; I822-I826 PolarHBondContact O-N 2.67Å |
| 823 | T | 84.4 | Confident | 86.6 | Confident | 80 Ų | 80 | 36.9 Ų | 36.9 | 49% | 0.491 | 22% | 0.221 | S | C | . | . | H | α-helix | trans | -70.4 | -37.2 | 176.8 | 44.6 | 0 | 0 | 0 | 0 | 111.4 | N820 I826 | N820-T823 VanDerWaalsContact CA-OG1 3.29Å; N820-T823 WeakPolarHBondContact CA-OG1 3.46Å; N820-T823 WeakPolarHBondContact CB-OG1 2.99Å; N820-T823 PolarHBondContact O-N 2.93Å; N820-T823 VanDerWaalsContact O-N 3.15Å; N820-T823 PolarHBondContact O-OG1 3.04Å; T823-I826 WeakPolarHBondContact O-CB 3.38Å; T823-I826 VanDerWaalsContact O-CG2 3.29Å; T823-I826 WeakPolarHBondContact O-CG2 3.43Å; T823-I826 PolarHBondContact O-N 2.03Å |
| 824 | D | 83.2 | Confident | 86.6 | Confident | 8 Ų | 8 | 35.7 Ų | 35.7 | 4% | 0.043 | 22% | 0.215 | C | C | . | . | H | α-helix | trans | -68 | -39.8 | 177.2 | -86 | 31.9 | 0 | 0 | 0 | 111.7 | T496 M497 I498 K501 Y818 N820 F821 I826 | T496-D824 VanDerWaalsContact CA-OD2 3.23Å; T496-D824 WeakPolarHBondContact CA-OD2 3.02Å; T496-D824 VanDerWaalsContact CB-OD2 3.23Å; T496-D824 WeakPolarHBondContact CB-OD2 3.31Å; T496-D824 WeakPolarHBondContact CG2-OD1 3.41Å; M497-D824 PolarHBondContact N-OD2 3.32Å; I498-D824 HydrophobicContact CD1-CB 3.76Å; I498-D824 WeakPolarHBondContact CD1-O 3.44Å; I498-D824 HydrophobicContact CG1-CB 4.16Å; I498-D824 PolarHBondContact N-OD2 3.3Å; K501-D824 PolarHBondContact NZ-O 3.21Å; Y818-D824 PolarHBondContact OH-OD1 2.93Å; Y818-D824 PolarHBondContact OH-OD2 3.01Å; N820-D824 WeakPolarHBondContact O-CB 3.24Å; N820-D824 PolarHBondContact O-N 3.31Å; F821-D824 PolarHBondContact O-N 3.42Å; D824-I826 PolarHBondContact O-N 3.15Å |
| 825 | H | 88.6 | Confident | 86.7 | Confident | 23 Ų | 23 | 32.7 Ų | 32.7 | 11% | 0.106 | 20% | 0.198 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -96 | 25.4 | 178.6 | -67 | -71.1 | 0 | 0 | 0 | 114.2 | F802 F821 G827 D831 L833 | F802-H825 HydrophobicContact CE1-CB 4.18Å; F802-H825 VanDerWaalsContact CE1-O 3.24Å; F802-H825 WeakPolarHBondContact CE1-O 3.39Å; F802-H825 HydrophobicContact CZ-CB 3.76Å; F821-H825 AromaticContact CD2-CD2 3.63Å; F821-H825 AromaticContact CE2-CD2 3.3Å; F821-H825 WeakPolarHBondContact CE2-CD2 3.06Å; F821-H825 AromaticContact CE2-NE2 3.6Å; F821-H825 AromaticContact CZ-CD2 3.73Å; F821-H825 PolarHBondContact O-CD2 3.39Å; F821-H825 PolarHBondContact O-N 3.22Å; H825-G827 PolarHBondContact O-N 3.44Å; H825-D831 WeakPolarHBondContact CA-OD2 3.3Å; H825-D831 IonicContact CE1-OD1 3.27Å; H825-D831 IonicContact CG-OD1 2.89Å; H825-D831 IonicContact ND1-OD1 3.05Å; H825-D831 PolarHBondContact ND1-OD1 2.8Å; H825-D831 IonicContact ND1-OD2 2.74Å; H825-L833 HydrophobicContact CB-CD2 4.47Å |
| 826 | I | 88.9 | Confident | 87 | Confident | 31 Ų | 31 | 27 Ų | 27 | 16% | 0.159 | 16% | 0.163 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -70.9 | -0.5 | -176.2 | -152.1 | 174.1 | 0 | 0 | 0 | 114 | I722 P723 I808 I822 T823 D824 G828 | I722-I826 VanDerWaalsContact CG2-O 3.28Å; I722-I826 WeakPolarHBondContact CG2-O 3.5Å; P723-I826 WeakPolarHBondContact CD-O 3.15Å; P723-I826 HydrophobicContact CG-CG2 4.32Å; I808-I826 HydrophobicContact CD1-CG1 4.07Å; I822-I826 PolarHBondContact O-N 2.67Å; T823-I826 WeakPolarHBondContact O-CB 3.38Å; T823-I826 VanDerWaalsContact O-CG2 3.29Å; T823-I826 WeakPolarHBondContact O-CG2 3.43Å; T823-I826 PolarHBondContact O-N 2.03Å; D824-I826 PolarHBondContact O-N 3.15Å; I826-G828 VanDerWaalsContact C-N 3.27Å; I826-G828 PolarHBondContact O-N 2.76Å |
| 827 | G | 88.1 | Confident | 87.4 | Confident | 20 Ų | 20 | 26.3 Ų | 26.3 | 21% | 0.206 | 16% | 0.159 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -72.6 | -15.3 | 178.3 | 0 | 0 | 0 | 0 | 0 | 114.4 | H825 V829 E830 | H825-G827 PolarHBondContact O-N 3.44Å; G827-V829 PolarHBondContact O-N 3.11Å; G827-E830 PolarHBondContact O-N 2.75Å |
| 828 | G | 89.7 | Confident | 88 | Confident | 1 Ų | 1 | 24.8 Ų | 24.8 | 1% | 0.01 | 15% | 0.146 | C | C | . | . | G | 310 helix | trans | 59.9 | -121.6 | 179.9 | 0 | 0 | 0 | 0 | 0 | 112.2 | I826 E830 D831 Y834 | I826-G828 VanDerWaalsContact C-N 3.27Å; I826-G828 PolarHBondContact O-N 2.76Å; G828-E830 PolarHBondContact O-N 3.5Å; G828-D831 WeakPolarHBondContact O-CB 3.34Å; G828-D831 PolarHBondContact O-N 3.18Å; G828-Y834 WeakPolarHBondContact O-CB 3.41Å |
| 829 | V | 91 | Very high | 88.5 | Confident | 7 Ų | 7 | 24.7 Ų | 24.7 | 4% | 0.042 | 15% | 0.146 | C | C | . | . | G | 310 helix | trans | -62.5 | -25.8 | -176.1 | 177.7 | 0 | 0 | 0 | 0 | 113.5 | A554 H804 G827 Y834 | A554-V829 HydrophobicContact CB-CG1 3.98Å; H804-V829 HydrophobicContact CB-CG2 4.35Å; H804-V829 VanDerWaalsContact O-CG2 3.24Å; H804-V829 WeakPolarHBondContact O-CG2 3.34Å; G827-V829 PolarHBondContact O-N 3.11Å; V829-Y834 HydrophobicContact CB-CD1 4.47Å; V829-Y834 HydrophobicContact CB-CE1 4.3Å; V829-Y834 HydrophobicContact CG1-CD1 4.4Å; V829-Y834 HydrophobicContact CG1-CE1 4.07Å; V829-Y834 HydrophobicContact CG2-CE1 4.15Å; V829-Y834 HydrophobicContact CG2-CE2 4.31Å |
| 830 | E | 89 | Confident | 89.1 | Confident | 87 Ų | 87 | 20.6 Ų | 20.6 | 41% | 0.407 | 12% | 0.12 | S | C | . | . | G | 310 helix | trans | -91.5 | -0.8 | 179.3 | -63.4 | 169.8 | 174.5 | 0 | 0 | 112.2 | R548 G549 G827 G828 | R548-E830 WeakPolarHBondContact CB-OE1 3.38Å; R548-E830 IonicContact CZ-OE1 2.62Å; R548-E830 IonicContact CZ-OE2 3.9Å; R548-E830 IonicContact NE-OE1 2.78Å; R548-E830 PolarHBondContact NE-OE1 3.17Å; R548-E830 IonicContact NE-OE2 3.31Å; R548-E830 PolarHBondContact NE-OE2 3.13Å; R548-E830 IonicContact NH2-OE1 3.98Å; R548-E830 IonicContact NH2-OE2 3.54Å; R548-E830 PolarHBondContact NH2-OE2 2.84Å; G549-E830 PolarHBondContact N-OE1 3.29Å; G827-E830 PolarHBondContact O-N 2.75Å; G828-E830 PolarHBondContact O-N 3.5Å |
| 831 | D | 89 | Confident | 89.5 | Confident | 11 Ų | 11 | 18 Ų | 18 | 6% | 0.059 | 11% | 0.106 | C | C | . | . | S | Bend | trans | -79.2 | 143.8 | 179.6 | -162.8 | -88.4 | 0 | 0 | 0 | 111.9 | K501 H825 G828 L833 Y834 S835 | K501-D831 IonicContact NZ-OD2 2.67Å; H825-D831 WeakPolarHBondContact CA-OD2 3.3Å; H825-D831 IonicContact CE1-OD1 3.27Å; H825-D831 IonicContact CG-OD1 2.89Å; H825-D831 IonicContact ND1-OD1 3.05Å; H825-D831 PolarHBondContact ND1-OD1 2.8Å; H825-D831 IonicContact ND1-OD2 2.74Å; G828-D831 WeakPolarHBondContact O-CB 3.34Å; G828-D831 PolarHBondContact O-N 3.18Å; D831-L833 VanDerWaalsContact C-N 3.25Å; D831-L833 PolarHBondContact O-N 2.89Å; D831-L833 VanDerWaalsContact OD1-CB 3.31Å; D831-L833 WeakPolarHBondContact OD1-CB 3.23Å; D831-L833 PolarHBondContact OD1-N 3.45Å; D831-Y834 WeakPolarHBondContact O-CB 3.49Å; D831-Y834 PolarHBondContact O-N 3.39Å; D831-Y834 VanDerWaalsContact O-N 3.1Å; D831-S835 PolarHBondContact O-N 3.46Å |
| 832 | S | 86.2 | Confident | 89.5 | Confident | 56 Ų | 56 | 20.3 Ų | 20.3 | 39% | 0.392 | 12% | 0.115 | S | C | . | . | H | α-helix | trans | -60.3 | -34.8 | 179.7 | 57.8 | 0 | 0 | 0 | 0 | 112.2 | Y834 S835 A836 | S832-Y834 VanDerWaalsContact C-N 3.33Å; S832-Y834 PolarHBondContact O-N 3.22Å; S832-S835 PolarHBondContact O-N 3.43Å; S832-A836 WeakPolarHBondContact O-CB 3.39Å; S832-A836 PolarHBondContact O-N 2.81Å |
| 833 | L | 91.1 | Very high | 89.5 | Confident | 8 Ų | 8 | 22.9 Ų | 22.9 | 4% | 0.042 | 12% | 0.124 | C | C | . | . | H | α-helix | trans | -62.8 | -41.9 | 176.4 | -178.7 | 69.8 | 0 | 0 | 0 | 111.3 | F800 F802 F821 H825 D831 T837 H853 T873 T875 I889 | F800-L833 HydrophobicContact CE2-CD2 4.48Å; F802-L833 HydrophobicContact CE2-CD2 4.05Å; F821-L833 HydrophobicContact CE2-CD2 4.35Å; F821-L833 HydrophobicContact CZ-CD2 3.72Å; H825-L833 HydrophobicContact CB-CD2 4.47Å; D831-L833 VanDerWaalsContact C-N 3.25Å; D831-L833 PolarHBondContact O-N 2.89Å; D831-L833 VanDerWaalsContact OD1-CB 3.31Å; D831-L833 WeakPolarHBondContact OD1-CB 3.23Å; D831-L833 PolarHBondContact OD1-N 3.45Å; L833-T837 WeakPolarHBondContact O-CB 3.39Å; L833-T837 PolarHBondContact O-N 2.94Å; L833-T837 VanDerWaalsContact O-N 3.11Å; L833-T837 PolarHBondContact O-OG1 3.34Å; L833-H853 VanDerWaalsContact CD1-NE2 3.35Å; L833-H853 WeakPolarHBondContact CD1-NE2 3.05Å; L833-T873 HydrophobicContact CD1-CG2 4.16Å; L833-T873 HydrophobicContact CD2-CG2 4.34Å; L833-T875 HydrophobicContact CD1-CG2 4.18Å; L833-T875 HydrophobicContact CG-CG2 4.42Å; L833-I889 HydrophobicContact CG-CD1 4.29Å |
| 834 | Y | 93 | Very high | 89.7 | Confident | 3 Ų | 3 | 19.4 Ų | 19.4 | 1% | 0.012 | 10% | 0.103 | C | C | . | . | H | α-helix | trans | -64.4 | -48.9 | 177.8 | -167.6 | -82.1 | 0 | 0 | 0 | 110.8 | A554 F802 G828 V829 D831 S832 T837 I838 G888 I889 | A554-Y834 HydrophobicContact CB-CD1 3.92Å; A554-Y834 HydrophobicContact CB-CE1 3.82Å; F802-Y834 HydrophobicContact CB-CD2 4.04Å; F802-Y834 HydrophobicContact CB-CE2 4.34Å; G828-Y834 WeakPolarHBondContact O-CB 3.41Å; V829-Y834 HydrophobicContact CB-CD1 4.47Å; V829-Y834 HydrophobicContact CB-CE1 4.3Å; V829-Y834 HydrophobicContact CG1-CD1 4.4Å; V829-Y834 HydrophobicContact CG1-CE1 4.07Å; V829-Y834 HydrophobicContact CG2-CE1 4.15Å; V829-Y834 HydrophobicContact CG2-CE2 4.31Å; D831-Y834 WeakPolarHBondContact O-CB 3.49Å; D831-Y834 PolarHBondContact O-N 3.39Å; D831-Y834 VanDerWaalsContact O-N 3.1Å; S832-Y834 VanDerWaalsContact C-N 3.33Å; S832-Y834 PolarHBondContact O-N 3.22Å; Y834-T837 PolarHBondContact O-N 2.8Å; Y834-I838 HydrophobicContact CD1-CD1 3.55Å; Y834-I838 HydrophobicContact CD1-CG1 4.48Å; Y834-I838 HydrophobicContact CE1-CD1 3.1Å; Y834-I838 HydrophobicContact CE1-CG1 4.3Å; Y834-I838 WeakPolarHBondContact O-CG1 3.24Å; Y834-I838 PolarHBondContact O-N 3.15Å; Y834-G888 WeakPolarHBondContact OH-CA 3.48Å; Y834-G888 PolarHBondContact OH-N 2.97Å; Y834-I889 HydrophobicContact CD2-CB 4.43Å; Y834-I889 HydrophobicContact CD2-CD1 4.17Å; Y834-I889 HydrophobicContact CD2-CG1 3.68Å; Y834-I889 HydrophobicContact CD2-CG2 4.05Å; Y834-I889 HydrophobicContact CE2-CG1 4.1Å; Y834-I889 HydrophobicContact CE2-CG2 4.05Å; Y834-I889 HydrophobicContact CG-CG1 4.48Å; Y834-I889 HydrophobicContact CG-CG2 4.43Å |
| 835 | S | 91.1 | Very high | 89.6 | Confident | 14 Ų | 14 | 23.8 Ų | 23.8 | 10% | 0.098 | 13% | 0.134 | C | C | . | . | H | α-helix | trans | -60.1 | -52.2 | 177.2 | 175.3 | 0 | 0 | 0 | 0 | 112.3 | N555 D831 S832 T837 I838 L839 | N555-S835 WeakPolarHBondContact OD1-CB 3.15Å; N555-S835 PolarHBondContact OD1-OG 3.42Å; D831-S835 PolarHBondContact O-N 3.46Å; S832-S835 PolarHBondContact O-N 3.43Å; S835-T837 VanDerWaalsContact C-N 3.28Å; S835-T837 PolarHBondContact O-N 2.97Å; S835-I838 PolarHBondContact O-N 2.05Å; S835-I838 VanDerWaalsContact O-N 3.17Å; S835-L839 WeakPolarHBondContact O-CB 3.42Å; S835-L839 WeakPolarHBondContact O-CG 3.36Å; S835-L839 PolarHBondContact O-N 3.18Å; S835-L839 WeakPolarHBondContact OG-CD1 3.17Å |
| 836 | A | 90.8 | Very high | 89 | Confident | 1 Ų | 1 | 26 Ų | 26 | 1% | 0.008 | 14% | 0.144 | C | C | . | . | H | α-helix | trans | -58.4 | -40 | -179 | 0 | 0 | 0 | 0 | 0 | 112 | V634 S832 T840 | V634-A836 HydrophobicContact CB-CB 4.2Å; V634-A836 HydrophobicContact CG1-CB 4.45Å; V634-A836 HydrophobicContact CG2-CB 3.92Å; S832-A836 WeakPolarHBondContact O-CB 3.39Å; S832-A836 PolarHBondContact O-N 2.81Å; A836-T840 VanDerWaalsContact O-CB 3.22Å; A836-T840 WeakPolarHBondContact O-CB 3.34Å; A836-T840 PolarHBondContact O-N 3.35Å; A836-T840 PolarHBondContact O-OG1 3.17Å |
| 837 | T | 93.3 | Very high | 88.1 | Confident | 0 Ų | 0 | 28.2 Ų | 28.2 | 0% | 0 | 16% | 0.157 | C | C | . | . | H | α-helix | trans | -63.8 | -46.8 | 177.5 | -56.5 | 0 | 0 | 0 | 0 | 111.8 | L833 Y834 S835 S841 V851 H853 T875 I889 | L833-T837 WeakPolarHBondContact O-CB 3.39Å; L833-T837 PolarHBondContact O-N 2.94Å; L833-T837 VanDerWaalsContact O-N 3.11Å; L833-T837 PolarHBondContact O-OG1 3.34Å; Y834-T837 PolarHBondContact O-N 2.8Å; S835-T837 VanDerWaalsContact C-N 3.28Å; S835-T837 PolarHBondContact O-N 2.97Å; T837-S841 WeakPolarHBondContact O-CB 3.49Å; T837-S841 PolarHBondContact O-N 2.9Å; T837-S841 PolarHBondContact O-OG 3.38Å; T837-V851 HydrophobicContact CG2-CG2 4.43Å; T837-H853 PolarHBondContact OG1-NE2 3.44Å; T837-T875 VanDerWaalsContact CG2-OG1 3.3Å; T837-T875 WeakPolarHBondContact CG2-OG1 3.4Å; T837-T875 PolarHBondContact OG1-OG1 3.19Å; T837-I889 HydrophobicContact CG2-CB 4.25Å; T837-I889 HydrophobicContact CG2-CG2 3.78Å |
| 838 | I | 92.1 | Very high | 87.7 | Confident | 0 Ų | 0 | 29.7 Ų | 29.7 | 0% | 0 | 16% | 0.16 | C | C | . | . | H | α-helix | trans | -66.9 | -47.2 | -179.9 | -70.4 | 175 | 0 | 0 | 0 | 110.9 | A554 Y834 S835 S841 R842 T877 P886 I889 | A554-I838 HydrophobicContact CB-CD1 3.92Å; Y834-I838 HydrophobicContact CD1-CD1 3.55Å; Y834-I838 HydrophobicContact CD1-CG1 4.48Å; Y834-I838 HydrophobicContact CE1-CD1 3.1Å; Y834-I838 HydrophobicContact CE1-CG1 4.3Å; Y834-I838 WeakPolarHBondContact O-CG1 3.24Å; Y834-I838 PolarHBondContact O-N 3.15Å; S835-I838 PolarHBondContact O-N 2.05Å; S835-I838 VanDerWaalsContact O-N 3.17Å; I838-S841 PolarHBondContact O-N 3.41Å; I838-R842 WeakPolarHBondContact O-CG 3.38Å; I838-R842 PolarHBondContact O-N 3.21Å; I838-T877 HydrophobicContact CG1-CG2 4.01Å; I838-P886 HydrophobicContact CD1-CB 3.6Å; I838-P886 HydrophobicContact CD1-CG 3.96Å; I838-P886 HydrophobicContact CG1-CB 4.13Å; I838-I889 HydrophobicContact CG1-CG2 4.35Å |
| 839 | L | 91.7 | Very high | 87.7 | Confident | 6 Ų | 6 | 29.7 Ų | 29.7 | 3% | 0.031 | 16% | 0.16 | C | C | . | . | H | α-helix | trans | -62.3 | -44.7 | -179.5 | -70.9 | 169.2 | 0 | 0 | 0 | 111.1 | N555 I632 V634 F641 S835 S841 R842 Y843 | N555-L839 VanDerWaalsContact ND2-CD2 3.35Å; N555-L839 WeakPolarHBondContact ND2-CD2 3.37Å; I632-L839 HydrophobicContact CB-CD1 4.28Å; I632-L839 HydrophobicContact CD1-CD1 4.44Å; I632-L839 HydrophobicContact CD1-CD2 4.04Å; I632-L839 HydrophobicContact CG2-CD1 3.61Å; V634-L839 HydrophobicContact CG1-CD1 4.13Å; F641-L839 HydrophobicContact CB-CD2 4.46Å; F641-L839 HydrophobicContact CD1-CB 4.14Å; F641-L839 HydrophobicContact CD2-CB 3.47Å; F641-L839 VanDerWaalsContact CD2-CB 3.47Å; F641-L839 HydrophobicContact CD2-CD1 3.66Å; F641-L839 HydrophobicContact CD2-CG 4.09Å; F641-L839 HydrophobicContact CE1-CB 4.19Å; F641-L839 HydrophobicContact CE2-CB 3.51Å; F641-L839 HydrophobicContact CE2-CD1 4.16Å; F641-L839 HydrophobicContact CE2-CG 4.47Å; F641-L839 HydrophobicContact CG-CB 3.79Å; F641-L839 HydrophobicContact CG-CD1 4.36Å; F641-L839 HydrophobicContact CG-CG 4.45Å; F641-L839 HydrophobicContact CZ-CB 3.89Å; S835-L839 WeakPolarHBondContact O-CB 3.42Å; S835-L839 WeakPolarHBondContact O-CG 3.36Å; S835-L839 PolarHBondContact O-N 3.18Å; S835-L839 WeakPolarHBondContact OG-CD1 3.17Å; L839-S841 PolarHBondContact O-N 3.42Å; L839-R842 PolarHBondContact O-N 2.82Å; L839-Y843 VanDerWaalsContact O-CB 3.28Å; L839-Y843 WeakPolarHBondContact O-CB 3.25Å; L839-Y843 PolarHBondContact O-N 3.11Å |
| 840 | T | 91.8 | Very high | 87.9 | Confident | 3 Ų | 3 | 29.6 Ų | 29.6 | 2% | 0.018 | 16% | 0.159 | C | C | . | . | H | α-helix | trans | -61.8 | -44.9 | 175.7 | -56.1 | 0 | 0 | 0 | 0 | 111.7 | F641 A836 R842 Y843 L844 V851 Q930 N1355 | F641-T840 WeakPolarHBondContact CZ-OG1 3.44Å; A836-T840 VanDerWaalsContact O-CB 3.22Å; A836-T840 WeakPolarHBondContact O-CB 3.34Å; A836-T840 PolarHBondContact O-N 3.35Å; A836-T840 PolarHBondContact O-OG1 3.17Å; T840-R842 VanDerWaalsContact C-N 3.32Å; T840-R842 PolarHBondContact O-N 2.85Å; T840-Y843 PolarHBondContact O-N 2.92Å; T840-L844 HydrophobicContact CG2-CD1 3.82Å; T840-L844 HydrophobicContact CG2-CG 4.45Å; T840-L844 WeakPolarHBondContact O-CG 3.42Å; T840-L844 PolarHBondContact O-N 3.32Å; T840-V851 HydrophobicContact CG2-CB 4.49Å; T840-V851 HydrophobicContact CG2-CG1 3.94Å; T840-V851 HydrophobicContact CG2-CG2 3.8Å; T840-Q930 PolarHBondContact OG1-NE2 3.49Å; T840-N1355 HydrophobicContact CG2-CB 3.76Å |
| 841 | S | 90.4 | Very high | 88.2 | Confident | 5 Ų | 5 | 25.5 Ų | 25.5 | 4% | 0.035 | 14% | 0.14 | C | C | . | . | H | α-helix | trans | -60.4 | -42.5 | 178.8 | -58.3 | 0 | 0 | 0 | 0 | 111.5 | T837 I838 L839 S845 T877 | T837-S841 WeakPolarHBondContact O-CB 3.49Å; T837-S841 PolarHBondContact O-N 2.9Å; T837-S841 PolarHBondContact O-OG 3.38Å; I838-S841 PolarHBondContact O-N 3.41Å; L839-S841 PolarHBondContact O-N 3.42Å; S841-S845 PolarHBondContact O-N 3.01Å; S841-T877 PolarHBondContact OG-OG1 2.91Å; S841-T877 VanDerWaalsContact OG-OG1 3.06Å |
| 842 | R | 87.6 | Confident | 88.4 | Confident | 51 Ų | 51 | 25 Ų | 25 | 19% | 0.192 | 14% | 0.137 | C | C | . | . | H | α-helix | trans | -69.3 | -45 | 176.8 | -74.5 | -179.2 | 176.3 | 164.8 | 0.2 | 112.3 | Y673 I838 L839 T840 L844 S845 | Y673-R842 VanDerWaalsContact CD1-CZ 3.46Å; Y673-R842 VanDerWaalsContact CG-NH1 3.32Å; I838-R842 WeakPolarHBondContact O-CG 3.38Å; I838-R842 PolarHBondContact O-N 3.21Å; L839-R842 PolarHBondContact O-N 2.82Å; T840-R842 VanDerWaalsContact C-N 3.32Å; T840-R842 PolarHBondContact O-N 2.85Å; R842-L844 VanDerWaalsContact C-N 3.29Å; R842-L844 PolarHBondContact O-N 3.06Å; R842-S845 PolarHBondContact O-N 2.83Å; R842-S845 PolarHBondContact O-OG 3.04Å |
| 843 | Y | 88.8 | Confident | 88.7 | Confident | 65 Ų | 65 | 23.5 Ų | 23.5 | 26% | 0.255 | 12% | 0.124 | S | C | . | . | H | α-helix | trans | -54.8 | -47.3 | 178.7 | -179.5 | -103.3 | 0 | 0 | 0 | 111.1 | F641 L839 T840 S845 V1303 L1305 | F641-Y843 HydrophobicContact CD1-CD2 4.14Å; F641-Y843 HydrophobicContact CD1-CG 4.07Å; F641-Y843 HydrophobicContact CE1-CG 4.03Å; L839-Y843 VanDerWaalsContact O-CB 3.28Å; L839-Y843 WeakPolarHBondContact O-CB 3.25Å; L839-Y843 PolarHBondContact O-N 3.11Å; T840-Y843 PolarHBondContact O-N 2.92Å; Y843-S845 PolarHBondContact O-N 3.08Å; Y843-V1303 PolarHBondContact OH-O 2.81Å; Y843-L1305 HydrophobicContact CD1-CD1 3.77Å; Y843-L1305 HydrophobicContact CE1-CD1 3.58Å; Y843-L1305 HydrophobicContact CE1-CG 4.09Å; Y843-L1305 HydrophobicContact CG-CD1 4.41Å; Y843-L1305 WeakPolarHBondContact O-CD1 3.41Å |
| 844 | L | 88.2 | Confident | 88.6 | Confident | 8 Ų | 8 | 23.9 Ų | 23.9 | 4% | 0.042 | 13% | 0.126 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -72.5 | -12.2 | 179.3 | -65.9 | 171.4 | 0 | 0 | 0 | 113.9 | T840 R842 E846 V849 L1305 N1355 | T840-L844 HydrophobicContact CG2-CD1 3.82Å; T840-L844 HydrophobicContact CG2-CG 4.45Å; T840-L844 WeakPolarHBondContact O-CG 3.42Å; T840-L844 PolarHBondContact O-N 3.32Å; R842-L844 VanDerWaalsContact C-N 3.29Å; R842-L844 PolarHBondContact O-N 3.06Å; L844-E846 PolarHBondContact O-N 3.39Å; L844-E846 VanDerWaalsContact O-N 3.08Å; L844-V849 HydrophobicContact CB-CG2 4.31Å; L844-V849 HydrophobicContact CD1-CG1 3.72Å; L844-V849 HydrophobicContact CD1-CG2 4.41Å; L844-L1305 HydrophobicContact CD2-CD1 3.96Å; L844-L1305 HydrophobicContact CD2-CD2 3.89Å; L844-N1355 HydrophobicContact CD1-CB 3.62Å |
| 845 | S | 81.5 | Confident | 88.1 | Confident | 100 Ų | 100 | 24 Ų | 24 | 70% | 0.699 | 13% | 0.128 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 52.4 | 27.8 | 178.5 | -62.7 | 0 | 0 | 0 | 0 | 114.7 | S841 R842 Y843 | S841-S845 PolarHBondContact O-N 3.01Å; R842-S845 PolarHBondContact O-N 2.83Å; R842-S845 PolarHBondContact O-OG 3.04Å; Y843-S845 PolarHBondContact O-N 3.08Å |
| 846 | E | 75.7 | Confident | 87.4 | Confident | 68 Ų | 68 | 25.7 Ų | 25.7 | 32% | 0.318 | 14% | 0.138 | S | C | . | . | trans | -115.4 | 135.3 | -177.1 | -84.1 | 173.8 | -164.3 | 0 | 0 | 110.2 | L844 V849 K1350 | L844-E846 PolarHBondContact O-N 3.39Å; L844-E846 VanDerWaalsContact O-N 3.08Å; E846-V849 HydrophobicContact CB-CG2 3.28Å; E846-V849 HydrophobicContact CG-CG2 4.46Å; E846-V849 WeakPolarHBondContact O-CG2 3.04Å; E846-K1350 IonicContact OE1-NZ 2.88Å; E846-K1350 PolarHBondContact OE1-NZ 2.89Å; E846-K1350 IonicContact OE2-NZ 3.8Å; E846-K1350 PolarHBondContact OE2-NZ 3.29Å | ||
| 847 | D | 69.6 | Low | 86.4 | Confident | 79 Ų | 79 | 27.3 Ų | 27.3 | 42% | 0.422 | 15% | 0.147 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -74.9 | 139.2 | 171.1 | -63 | -33.4 | 0 | 0 | 0 | 109.2 | V849 K884 | D847-V849 PolarHBondContact O-N 3.36Å; D847-K884 IonicContact OD1-NZ 3.29Å; D847-K884 PolarHBondContact OD1-NZ 3.14Å; D847-K884 IonicContact OD2-NZ 2.77Å; D847-K884 PolarHBondContact OD2-NZ 3.12Å |
| 848 | N | 79.5 | Confident | 85.2 | Confident | 51 Ų | 51 | 33.3 Ų | 33.3 | 27% | 0.273 | 18% | 0.179 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 65.4 | 32.7 | 176.1 | -55.2 | 10.1 | 0 | 0 | 0 | 114.9 | L850 | N848-L850 PolarHBondContact O-N 3.13Š|
| 849 | V | 90.8 | Very high | 84.2 | Confident | 1 Ų | 1 | 34 Ų | 34 | 1% | 0.006 | 18% | 0.182 | C | C | . | . | trans | -64.3 | 132.6 | 171.5 | 176.7 | 0 | 0 | 0 | 0 | 110.6 | L844 E846 D847 V851 T876 | L844-V849 HydrophobicContact CB-CG2 4.31Å; L844-V849 HydrophobicContact CD1-CG1 3.72Å; L844-V849 HydrophobicContact CD1-CG2 4.41Å; E846-V849 HydrophobicContact CB-CG2 3.28Å; E846-V849 HydrophobicContact CG-CG2 4.46Å; E846-V849 WeakPolarHBondContact O-CG2 3.04Å; D847-V849 PolarHBondContact O-N 3.36Å; V849-V851 HydrophobicContact CG1-CG2 4.1Å; V849-T876 VanDerWaalsContact O-CB 3.24Å; V849-T876 WeakPolarHBondContact O-CB 3.42Å; V849-T876 PolarHBondContact O-OG1 3.11Å | ||
| 850 | L | 94.7 | Very high | 83.6 | Confident | 4 Ų | 4 | 33.9 Ų | 33.9 | 2% | 0.021 | 18% | 0.182 | C | C | . | . | B | Isolated β-bridge | trans | -89.9 | 109.5 | 166.7 | -162.3 | 63.6 | 0 | 0 | 0 | 109.6 | L47 T51 N848 F852 L874 K1353 T1354 N1355 | L47-L850 HydrophobicContact CB-CD2 3.89Å; L47-L850 HydrophobicContact CD1-CD2 4.42Å; T51-L850 HydrophobicContact CG2-CD1 4.16Å; N848-L850 PolarHBondContact O-N 3.13Å; L850-F852 HydrophobicContact CB-CE2 4.22Å; L850-F852 HydrophobicContact CD2-CE2 3.69Å; L850-F852 HydrophobicContact CD2-CZ 3.79Å; L850-F852 HydrophobicContact CG-CD2 4.46Å; L850-F852 HydrophobicContact CG-CE2 3.89Å; L850-F852 HydrophobicContact CG-CZ 4.38Å; L850-L874 HydrophobicContact CD1-CD1 3.53Å; L850-L874 HydrophobicContact CD2-CD1 4.09Å; L850-L874 HydrophobicContact CG-CD1 4.02Å; L850-K1353 PolarHBondContact N-O 3.39Å; L850-T1354 HydrophobicContact CB-CG2 4.5Å; L850-T1354 WeakPolarHBondContact O-CA 3.32Å; L850-N1355 PolarHBondContact O-N 3.48Å; L850-N1355 PolarHBondContact O-OD1 3.3Å |
| 851 | V | 94.5 | Very high | 82.9 | Confident | 1 Ų | 1 | 38.2 Ų | 38.2 | 1% | 0.006 | 20% | 0.198 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -89 | 111.1 | 179.7 | -178.3 | 0 | 0 | 0 | 0 | 108.9 | T837 T840 V849 L874 T875 | T837-V851 HydrophobicContact CG2-CG2 4.43Å; T840-V851 HydrophobicContact CG2-CB 4.49Å; T840-V851 HydrophobicContact CG2-CG1 3.94Å; T840-V851 HydrophobicContact CG2-CG2 3.8Å; V849-V851 HydrophobicContact CG1-CG2 4.1Å; V851-L874 CarbonylContact O-C 3.31Å; V851-L874 VanDerWaalsContact O-CA 3.24Å; V851-L874 WeakPolarHBondContact O-CA 3.49Å; V851-T875 PolarHBondContact N-O 2.87Å; V851-T875 PolarHBondContact O-N 2.86Å; V851-T875 PolarHBondContact O-OG1 2.91Å |
| 852 | F | 95 | Very high | 82 | Confident | 1 Ų | 1 | 40.1 Ų | 40.1 | 0% | 0.004 | 21% | 0.206 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -87 | 122.4 | 170.6 | -70.6 | -102.5 | 0 | 0 | 0 | 109.1 | F44 L47 L850 L874 I899 L935 T1354 N1355 L1356 | F44-F852 HydrophobicContact CB-CE2 4.49Å; F44-F852 HydrophobicContact CB-CZ 4.18Å; F44-F852 HydrophobicContact CD1-CE1 4.34Å; F44-F852 AromaticContact CD1-CZ 3.8Å; F44-F852 HydrophobicContact CD1-CZ 3.8Å; F44-F852 HydrophobicContact CD2-CZ 4.37Å; F44-F852 HydrophobicContact CE1-CE1 4.41Å; F44-F852 HydrophobicContact CE1-CZ 4.24Å; F44-F852 HydrophobicContact CG-CE2 4.36Å; F44-F852 AromaticContact CG-CZ 3.88Å; F44-F852 HydrophobicContact CG-CZ 3.88Å; L47-F852 HydrophobicContact CD1-CE1 4.43Å; L47-F852 HydrophobicContact CD1-CZ 4.2Å; L850-F852 HydrophobicContact CB-CE2 4.22Å; L850-F852 HydrophobicContact CD2-CE2 3.69Å; L850-F852 HydrophobicContact CD2-CZ 3.79Å; L850-F852 HydrophobicContact CG-CD2 4.46Å; L850-F852 HydrophobicContact CG-CE2 3.89Å; L850-F852 HydrophobicContact CG-CZ 4.38Å; F852-L874 HydrophobicContact CD1-CB 4.2Å; F852-L874 HydrophobicContact CE1-CB 4.38Å; F852-L874 HydrophobicContact CE1-CD2 4.14Å; F852-L874 HydrophobicContact CG-CB 4.46Å; F852-I899 HydrophobicContact CD1-CD1 4.37Å; F852-I899 HydrophobicContact CE1-CD1 4.49Å; F852-L935 HydrophobicContact CB-CD2 4.02Å; F852-L935 HydrophobicContact CD1-CD2 4.14Å; F852-L935 HydrophobicContact CG-CD2 4.29Å; F852-T1354 HydrophobicContact CE2-CG2 3.86Å; F852-N1355 PolarHBondContact N-OD1 3.01Å; F852-N1355 PolarHBondContact O-ND2 3.39Å; F852-L1356 HydrophobicContact CB-CD1 4.17Å; F852-L1356 HydrophobicContact CB-CD2 3.99Å; F852-L1356 HydrophobicContact CB-CG 4.24Å; F852-L1356 HydrophobicContact CD1-CD1 4.24Å; F852-L1356 HydrophobicContact CD2-CD1 3.56Å; F852-L1356 HydrophobicContact CD2-CG 3.95Å; F852-L1356 HydrophobicContact CE2-CD1 3.94Å; F852-L1356 HydrophobicContact CG-CD1 3.73Å; F852-L1356 HydrophobicContact CG-CD2 4.47Å; F852-L1356 HydrophobicContact CG-CG 4.23Å; F852-L1356 HydrophobicContact CZ-CD1 4.42Å |
| 853 | H | 92.1 | Very high | 81.6 | Confident | 24 Ų | 24 | 38.3 Ų | 38.3 | 11% | 0.111 | 20% | 0.199 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -91.5 | 115.3 | 175.9 | -63.6 | -79.7 | 0 | 0 | 0 | 108.8 | L833 T837 T873 T875 | L833-H853 VanDerWaalsContact CD1-NE2 3.35Å; L833-H853 WeakPolarHBondContact CD1-NE2 3.05Å; T837-H853 PolarHBondContact OG1-NE2 3.44Å; H853-T873 WeakPolarHBondContact CB-O 3.45Å; H853-T873 PolarHBondContact CD2-O 2.93Å; H853-T873 PolarHBondContact N-O 2.69Å; H853-T875 PolarHBondContact CD2-OG1 3.31Å; H853-T875 PolarHBondContact NE2-OG1 3.01Å |
| 854 | T | 89.1 | Confident | 81.1 | Confident | 16 Ų | 16 | 37 Ų | 37 | 10% | 0.098 | 20% | 0.2 | C | C | . | . | P | Polyproline II helix | trans | -68.5 | 128.2 | 177.9 | -52.9 | 0 | 0 | 0 | 0 | 108.9 | N929 M933 I934 | T854-N929 PolarHBondContact OG1-ND2 3.23Å; T854-M933 HydrophobicContact CG2-CB 4.18Å; T854-M933 HydrophobicContact CG2-CE 4.39Å; T854-I934 WeakPolarHBondContact CG2-O 3.18Å |
| 855 | P | 83 | Confident | 80.7 | Confident | 7 Ų | 7 | 40.7 Ų | 40.7 | 5% | 0.045 | 23% | 0.226 | C | C | . | . | P | Polyproline II helix | trans | -63.2 | 136.8 | 176.4 | 26.3 | -33.2 | 0 | 0 | 0 | 109.7 | L859 F860 V870 V872 G945 | P855-L859 HydrophobicContact CB-CD2 4.31Å; P855-F860 HydrophobicContact CG-CD2 3.97Å; P855-V870 HydrophobicContact CB-CG1 4.12Å; P855-V870 HydrophobicContact CG-CG1 4.18Å; P855-V872 HydrophobicContact CG-CG2 4.39Å; P855-G945 WeakPolarHBondContact O-CA 3.29Å |
| 856 | P | 74.4 | Confident | 80.7 | Confident | 49 Ų | 49 | 41 Ų | 41 | 32% | 0.318 | 22% | 0.217 | S | C | . | . | P | Polyproline II helix | trans | -54.4 | 145.2 | 174 | -25.8 | 33.8 | 0 | 0 | 0 | 111.8 | D858 L859 F860 | P856-D858 VanDerWaalsContact C-N 3.33Å; P856-D858 PolarHBondContact O-N 3.26Å; P856-L859 HydrophobicContact CB-CB 4.22Å; P856-L859 WeakPolarHBondContact O-CB 3.22Å; P856-L859 PolarHBondContact O-N 3.19Å; P856-L859 VanDerWaalsContact O-N 3.12Å; P856-F860 PolarHBondContact O-N 3.47Å |
| 857 | N | 70.5 | Confident | 81 | Confident | 34 Ų | 34 | 47 Ų | 47 | 18% | 0.182 | 24% | 0.242 | C | C | . | . | H | α-helix | trans | -54.7 | -45.5 | -177.8 | 178.1 | 25.4 | 0 | 0 | 0 | 112.6 | L859 F860 R861 | N857-L859 VanDerWaalsContact C-N 3.3Å; N857-L859 PolarHBondContact O-N 3.47Å; N857-F860 PolarHBondContact O-N 3.43Å; N857-R861 WeakPolarHBondContact O-CB 3.44Å; N857-R861 WeakPolarHBondContact O-CG 3.44Å; N857-R861 PolarHBondContact O-N 2.82Å; N857-R861 WeakPolarHBondContact OD1-CD 3.17Å; N857-R861 PolarHBondContact OD1-NE 3.46Å |
| 858 | D | 68.2 | Low | 81.6 | Confident | 126 Ų | 126 | 47.7 Ų | 47.7 | 67% | 0.674 | 25% | 0.245 | S | C | * | . | H | α-helix | trans | -62.7 | -39.8 | 179.9 | -60 | -21.7 | 0 | 0 | 0 | 111.9 | P856 R861 H862 | P856-D858 VanDerWaalsContact C-N 3.33Å; P856-D858 PolarHBondContact O-N 3.26Å; D858-R861 PolarHBondContact O-N 3.33Å; D858-H862 WeakPolarHBondContact O-CB 3.29Å; D858-H862 PolarHBondContact O-N 2.98Å |
| 859 | L | 70.6 | Confident | 81.9 | Confident | 15 Ų | 15 | 49.5 Ų | 49.5 | 8% | 0.079 | 26% | 0.255 | C | S | . | . | H | α-helix | trans | -65.2 | -47.9 | 176.4 | 179.7 | 69.6 | 0 | 0 | 0 | 111.1 | M497 P855 P856 N857 R861 H862 F863 | M497-L859 HydrophobicContact CB-CD1 4.24Å; M497-L859 HydrophobicContact CB-CD2 4.25Å; M497-L859 HydrophobicContact CE-CD1 3.66Å; M497-L859 HydrophobicContact CE-CD2 3.88Å; M497-L859 HydrophobicContact CE-CG 4.15Å; M497-L859 HydrophobicContact CG-CD1 3.6Å; M497-L859 HydrophobicContact CG-CD2 3.94Å; M497-L859 HydrophobicContact CG-CG 4.41Å; M497-L859 HydrophobicContact SD-CD1 4.15Å; M497-L859 HydrophobicContact SD-CD2 3.67Å; M497-L859 HydrophobicContact SD-CG 4.48Å; P855-L859 HydrophobicContact CB-CD2 4.31Å; P856-L859 HydrophobicContact CB-CB 4.22Å; P856-L859 WeakPolarHBondContact O-CB 3.22Å; P856-L859 PolarHBondContact O-N 3.19Å; P856-L859 VanDerWaalsContact O-N 3.12Å; N857-L859 VanDerWaalsContact C-N 3.3Å; N857-L859 PolarHBondContact O-N 3.47Å; L859-R861 VanDerWaalsContact C-N 3.3Å; L859-R861 PolarHBondContact O-N 3.02Å; L859-H862 PolarHBondContact O-N 3.21Å; L859-F863 HydrophobicContact CD1-CD2 3.64Å; L859-F863 HydrophobicContact CD1-CE2 3.44Å; L859-F863 VanDerWaalsContact CD1-CE2 3.44Å; L859-F863 HydrophobicContact CG-CD2 4.18Å; L859-F863 HydrophobicContact CG-CE2 4.37Å; L859-F863 WeakPolarHBondContact O-CD2 3.22Å; L859-F863 PolarHBondContact O-N 3.01Å |
| 860 | F | 79.9 | Confident | 81.8 | Confident | 4 Ų | 4 | 49.7 Ų | 49.7 | 2% | 0.018 | 26% | 0.256 | C | S | . | . | H | α-helix | trans | -57.6 | -46.6 | 178.4 | -172 | -80.7 | 0 | 0 | 0 | 110.5 | P855 P856 N857 S864 V870 H896 E941 V944 | P855-F860 HydrophobicContact CG-CD2 3.97Å; P856-F860 PolarHBondContact O-N 3.47Å; N857-F860 PolarHBondContact O-N 3.43Å; F860-S864 WeakPolarHBondContact CE1-OG 3.4Å; F860-S864 VanDerWaalsContact O-CB 3.25Å; F860-S864 WeakPolarHBondContact O-CB 3.49Å; F860-S864 PolarHBondContact O-N 2.9Å; F860-S864 PolarHBondContact O-OG 3.41Å; F860-V870 HydrophobicContact CD2-CB 4.25Å; F860-V870 HydrophobicContact CD2-CG1 3.78Å; F860-V870 HydrophobicContact CD2-CG2 3.95Å; F860-V870 HydrophobicContact CE2-CB 4.34Å; F860-V870 HydrophobicContact CE2-CG1 4.33Å; F860-V870 HydrophobicContact CE2-CG2 3.95Å; F860-V870 HydrophobicContact CG-CG1 4.47Å; F860-V870 HydrophobicContact CG-CG2 4.38Å; F860-V870 HydrophobicContact CZ-CG2 4.4Å; F860-H896 HydrophobicContact CE2-CB 4.33Å; F860-H896 AromaticContact CE2-CE1 3.88Å; F860-H896 AromaticContact CE2-CG 3.72Å; F860-H896 AromaticContact CE2-ND1 3.64Å; F860-H896 AromaticContact CZ-ND1 3.92Å; F860-E941 HydrophobicContact CE1-CB 3.86Å; F860-E941 WeakPolarHBondContact CE1-O 3.44Å; F860-E941 HydrophobicContact CZ-CB 3.92Å; F860-E941 HydrophobicContact CZ-CG 4.39Å; F860-V944 HydrophobicContact CD1-CB 4.42Å; F860-V944 HydrophobicContact CD2-CB 4Å; F860-V944 HydrophobicContact CD2-CG1 3.55Å; F860-V944 HydrophobicContact CE1-CB 4.14Å; F860-V944 HydrophobicContact CE2-CB 3.68Å; F860-V944 HydrophobicContact CE2-CG1 3.39Å; F860-V944 HydrophobicContact CE2-CG2 4.31Å; F860-V944 HydrophobicContact CG-CB 4.38Å; F860-V944 HydrophobicContact CG-CG1 4.3Å; F860-V944 HydrophobicContact CZ-CB 3.76Å; F860-V944 HydrophobicContact CZ-CG1 4.03Å; F860-V944 HydrophobicContact CZ-CG2 4.16Å |
| 861 | R | 76.2 | Confident | 81.6 | Confident | 93 Ų | 93 | 49.8 Ų | 49.8 | 35% | 0.351 | 26% | 0.256 | S | S | . | . | H | α-helix | trans | -62 | -45.3 | 178.9 | -74.4 | 178.5 | -176.4 | -97.9 | -6.2 | 112.7 | N857 D858 L859 S864 S865 K942 | N857-R861 WeakPolarHBondContact O-CB 3.44Å; N857-R861 WeakPolarHBondContact O-CG 3.44Å; N857-R861 PolarHBondContact O-N 2.82Å; N857-R861 WeakPolarHBondContact OD1-CD 3.17Å; N857-R861 PolarHBondContact OD1-NE 3.46Å; D858-R861 PolarHBondContact O-N 3.33Å; L859-R861 VanDerWaalsContact C-N 3.3Å; L859-R861 PolarHBondContact O-N 3.02Å; R861-S864 PolarHBondContact O-N 3.38Å; R861-S865 WeakPolarHBondContact O-CB 3.29Å; R861-S865 PolarHBondContact O-N 3.39Å; R861-S865 PolarHBondContact O-OG 2.92Å; R861-K942 PolarHBondContact NH2-O 3.43Å |
| 862 | H | 72.3 | Confident | 81.5 | Confident | 45 Ų | 45 | 49.8 Ų | 49.8 | 21% | 0.208 | 26% | 0.256 | C | S | . | . | H | α-helix | trans | -61.9 | -49.3 | 178.9 | 176.7 | 76.5 | 0 | 0 | 0 | 112.1 | I494 D858 L859 S864 S865 E866 | I494-H862 HydrophobicContact CD1-CB 3.91Å; D858-H862 WeakPolarHBondContact O-CB 3.29Å; D858-H862 PolarHBondContact O-N 2.98Å; L859-H862 PolarHBondContact O-N 3.21Å; H862-S864 VanDerWaalsContact C-N 3.33Å; H862-S864 PolarHBondContact O-N 3.14Å; H862-S865 PolarHBondContact O-N 3.15Å; H862-S865 PolarHBondContact O-OG 3.45Å; H862-E866 WeakPolarHBondContact O-CG 3.2Å; H862-E866 PolarHBondContact O-N 2.69Å; H862-E866 VanDerWaalsContact O-N 3.07Å |
| 863 | F | 79.4 | Confident | 81.4 | Confident | 13 Ų | 13 | 50.6 Ų | 50.6 | 6% | 0.057 | 26% | 0.262 | C | S | . | . | H | α-helix | trans | -63.9 | -41.7 | 179.2 | -86.1 | -107.4 | 0 | 0 | 0 | 111.4 | M497 L859 E866 K867 L868 V870 | M497-F863 HydrophobicContact CE-CD1 4.47Å; M497-F863 HydrophobicContact CE-CD2 4.12Å; M497-F863 HydrophobicContact CE-CE1 3.74Å; M497-F863 HydrophobicContact CE-CE2 3.33Å; M497-F863 HydrophobicContact CE-CZ 3.11Å; L859-F863 HydrophobicContact CD1-CD2 3.64Å; L859-F863 HydrophobicContact CD1-CE2 3.44Å; L859-F863 VanDerWaalsContact CD1-CE2 3.44Å; L859-F863 HydrophobicContact CG-CD2 4.18Å; L859-F863 HydrophobicContact CG-CE2 4.37Å; L859-F863 WeakPolarHBondContact O-CD2 3.22Å; L859-F863 PolarHBondContact O-N 3.01Å; F863-E866 CarbonylContact O-C 3.42Å; F863-E866 PolarHBondContact O-N 3.18Å; F863-K867 PolarHBondContact O-N 3.39Å; F863-L868 HydrophobicContact CB-CB 4.44Å; F863-L868 HydrophobicContact CD1-CB 3.8Å; F863-L868 HydrophobicContact CD1-CD1 4.37Å; F863-L868 HydrophobicContact CE1-CB 4.49Å; F863-L868 HydrophobicContact CE1-CD1 4.46Å; F863-L868 HydrophobicContact CG-CB 4.46Å; F863-L868 PolarHBondContact O-N 3.43Å; F863-V870 HydrophobicContact CB-CB 4.4Å; F863-V870 HydrophobicContact CB-CG2 3.78Å |
| 864 | S | 78.6 | Confident | 81.6 | Confident | 39 Ų | 39 | 49.5 Ų | 49.5 | 27% | 0.273 | 26% | 0.256 | S | S | . | . | H | α-helix | trans | -67.2 | -36.5 | 177.5 | -66.2 | 0 | 0 | 0 | 0 | 112.9 | F860 R861 H862 K867 | F860-S864 WeakPolarHBondContact CE1-OG 3.4Å; F860-S864 VanDerWaalsContact O-CB 3.25Å; F860-S864 WeakPolarHBondContact O-CB 3.49Å; F860-S864 PolarHBondContact O-N 2.9Å; F860-S864 PolarHBondContact O-OG 3.41Å; R861-S864 PolarHBondContact O-N 3.38Å; H862-S864 VanDerWaalsContact C-N 3.33Å; H862-S864 PolarHBondContact O-N 3.14Å; S864-K867 PolarHBondContact O-N 2.95Å; S864-K867 VanDerWaalsContact O-N 3.14Å |
| 865 | S | 78.7 | Confident | 81.9 | Confident | 84 Ų | 84 | 48.7 Ų | 48.7 | 59% | 0.587 | 25% | 0.252 | S | S | * | . | H | α-helix | trans | -66.5 | -38.2 | 175.7 | 63.4 | 0 | 0 | 0 | 0 | 112 | R861 H862 K867 | R861-S865 WeakPolarHBondContact O-CB 3.29Å; R861-S865 PolarHBondContact O-N 3.39Å; R861-S865 PolarHBondContact O-OG 2.92Å; H862-S865 PolarHBondContact O-N 3.15Å; H862-S865 PolarHBondContact O-OG 3.45Å; S865-K867 PolarHBondContact O-N 3.38Å |
| 866 | E | 81.8 | Confident | 82.5 | Confident | 108 Ų | 108 | 48.4 Ų | 48.4 | 51% | 0.505 | 25% | 0.25 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -77.5 | 1.6 | 174.3 | -65.4 | -59 | 142.6 | 0 | 0 | 113.4 | H862 F863 L868 | H862-E866 WeakPolarHBondContact O-CG 3.2Å; H862-E866 PolarHBondContact O-N 2.69Å; H862-E866 VanDerWaalsContact O-N 3.07Å; F863-E866 CarbonylContact O-C 3.42Å; F863-E866 PolarHBondContact O-N 3.18Å; E866-L868 HydrophobicContact CB-CD1 3.83Å; E866-L868 HydrophobicContact CB-CG 3.82Å; E866-L868 PolarHBondContact O-N 3.18Å |
| 867 | K | 82.3 | Confident | 83.5 | Confident | 194 Ų | 194 | 46.1 Ų | 46.1 | 84% | 0.843 | 24% | 0.235 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 54.7 | 31.3 | -175.1 | -56.4 | 177.7 | -178.8 | 173.7 | 0 | 113 | F863 S864 S865 | F863-K867 PolarHBondContact O-N 3.39Å; S864-K867 PolarHBondContact O-N 2.95Å; S864-K867 VanDerWaalsContact O-N 3.14Å; S865-K867 PolarHBondContact O-N 3.38Å |
| 868 | L | 82.6 | Confident | 84.6 | Confident | 93 Ų | 93 | 44.5 Ų | 44.5 | 49% | 0.487 | 23% | 0.226 | S | C | . | . | P | Polyproline II helix | trans | -90.7 | 152.7 | 175.1 | -62.4 | 175.5 | 0 | 0 | 0 | 110.1 | F863 E866 V870 | F863-L868 HydrophobicContact CB-CB 4.44Å; F863-L868 HydrophobicContact CD1-CB 3.8Å; F863-L868 HydrophobicContact CD1-CD1 4.37Å; F863-L868 HydrophobicContact CE1-CB 4.49Å; F863-L868 HydrophobicContact CE1-CD1 4.46Å; F863-L868 HydrophobicContact CG-CB 4.46Å; F863-L868 PolarHBondContact O-N 3.43Å; E866-L868 HydrophobicContact CB-CD1 3.83Å; E866-L868 HydrophobicContact CB-CG 3.82Å; E866-L868 PolarHBondContact O-N 3.18Å; L868-V870 PolarHBondContact O-N 3.41Å |
| 869 | N | 85.5 | Confident | 85.7 | Confident | 89 Ų | 89 | 39.2 Ų | 39.2 | 48% | 0.476 | 20% | 0.197 | S | C | . | . | P | Polyproline II helix | trans | -70.6 | 121 | 173.3 | -65.5 | -52.2 | 0 | 0 | 0 | 109.4 | P871 T895 | N869-P871 WeakPolarHBondContact O-CD 3.17Å; N869-T895 HydrophobicContact CB-CG2 3.63Å |
| 870 | V | 89.2 | Confident | 86.7 | Confident | 5 Ų | 5 | 39.8 Ų | 39.8 | 3% | 0.03 | 20% | 0.2 | C | C | . | . | P | Polyproline II helix | trans | -69.1 | 120 | 175.4 | -170.9 | 0 | 0 | 0 | 0 | 109.4 | P855 F860 F863 L868 T895 H896 | P855-V870 HydrophobicContact CB-CG1 4.12Å; P855-V870 HydrophobicContact CG-CG1 4.18Å; F860-V870 HydrophobicContact CD2-CB 4.25Å; F860-V870 HydrophobicContact CD2-CG1 3.78Å; F860-V870 HydrophobicContact CD2-CG2 3.95Å; F860-V870 HydrophobicContact CE2-CB 4.34Å; F860-V870 HydrophobicContact CE2-CG1 4.33Å; F860-V870 HydrophobicContact CE2-CG2 3.95Å; F860-V870 HydrophobicContact CG-CG1 4.47Å; F860-V870 HydrophobicContact CG-CG2 4.38Å; F860-V870 HydrophobicContact CZ-CG2 4.4Å; F863-V870 HydrophobicContact CB-CB 4.4Å; F863-V870 HydrophobicContact CB-CG2 3.78Å; L868-V870 PolarHBondContact O-N 3.41Å; V870-T895 CarbonylContact O-C 3.5Å; V870-T895 WeakPolarHBondContact O-CA 3.33Å; V870-H896 HydrophobicContact CB-CB 4.01Å; V870-H896 PolarHBondContact O-N 3.32Å |
| 871 | P | 89.7 | Confident | 87 | Confident | 5 Ų | 5 | 42 Ų | 42 | 3% | 0.032 | 21% | 0.21 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -76.2 | 145.4 | 174.9 | 29.7 | -30.3 | 0 | 0 | 0 | 111.1 | M497 A817 N869 Q893 I894 | M497-P871 HydrophobicContact CE-CG 3.12Å; M497-P871 HydrophobicContact SD-CG 3.72Å; A817-P871 HydrophobicContact CB-CB 4.32Å; N869-P871 WeakPolarHBondContact O-CD 3.17Å; P871-Q893 HydrophobicContact CB-CG 4Å; P871-I894 CarbonylContact C-O 3.59Å; P871-I894 WeakPolarHBondContact CA-O 3.29Å |
| 872 | V | 92.4 | Very high | 87.4 | Confident | 1 Ų | 1 | 43.3 Ų | 43.3 | 1% | 0.006 | 23% | 0.23 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.5 | 127.8 | 174.1 | 179 | 0 | 0 | 0 | 0 | 107.9 | P855 I894 H896 I899 L935 | P855-V872 HydrophobicContact CG-CG2 4.39Å; V872-I894 HydrophobicContact CB-CG1 4.29Å; V872-I894 PolarHBondContact N-O 3.33Å; V872-I894 PolarHBondContact O-N 3.3Å; V872-H896 HydrophobicContact CG2-CB 3.86Å; V872-I899 HydrophobicContact CB-CD1 3.96Å; V872-I899 HydrophobicContact CG1-CD1 3.69Å; V872-I899 HydrophobicContact CG2-CD1 4.05Å; V872-L935 HydrophobicContact CG1-CD1 4.18Å |
| 873 | T | 93.7 | Very high | 88 | Confident | 19 Ų | 19 | 43.2 Ų | 43.2 | 12% | 0.117 | 24% | 0.235 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -96.9 | 131.2 | -179.1 | -57.9 | 0 | 0 | 0 | 0 | 109.2 | F800 F821 L833 H853 T875 | F800-T873 HydrophobicContact CE1-CG2 4.1Å; F800-T873 HydrophobicContact CZ-CG2 3.66Å; F821-T873 HydrophobicContact CE2-CG2 3.93Å; F821-T873 WeakPolarHBondContact CE2-OG1 3.49Å; F821-T873 HydrophobicContact CZ-CG2 3.71Å; L833-T873 HydrophobicContact CD1-CG2 4.16Å; L833-T873 HydrophobicContact CD2-CG2 4.34Å; H853-T873 WeakPolarHBondContact CB-O 3.45Å; H853-T873 PolarHBondContact CD2-O 2.93Å; H853-T873 PolarHBondContact N-O 2.69Å; T873-T875 HydrophobicContact CG2-CG2 4.07Å |
| 874 | L | 95.3 | Very high | 88.4 | Confident | 0 Ų | 0 | 47 Ų | 47 | 0% | 0 | 25% | 0.251 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.1 | 139.9 | 173.7 | 63.3 | 95.6 | 0 | 0 | 0 | 109.7 | L47 T51 L850 V851 F852 G891 L892 I894 | L47-L874 HydrophobicContact CD1-CD2 3.93Å; T51-L874 HydrophobicContact CG2-CD1 4.42Å; L850-L874 HydrophobicContact CD1-CD1 3.53Å; L850-L874 HydrophobicContact CD2-CD1 4.09Å; L850-L874 HydrophobicContact CG-CD1 4.02Å; V851-L874 CarbonylContact O-C 3.31Å; V851-L874 VanDerWaalsContact O-CA 3.24Å; V851-L874 WeakPolarHBondContact O-CA 3.49Å; F852-L874 HydrophobicContact CD1-CB 4.2Å; F852-L874 HydrophobicContact CE1-CB 4.38Å; F852-L874 HydrophobicContact CE1-CD2 4.14Å; F852-L874 HydrophobicContact CG-CB 4.46Å; L874-G891 CarbonylContact O-C 3.59Å; L874-G891 WeakPolarHBondContact O-CA 3.33Å; L874-L892 HydrophobicContact CD1-CB 3.78Å; L874-L892 HydrophobicContact CD1-CD1 3.91Å; L874-L892 HydrophobicContact CD1-CG 3.89Å; L874-L892 HydrophobicContact CD2-CB 4.29Å; L874-L892 HydrophobicContact CG-CB 3.93Å; L874-L892 PolarHBondContact N-O 2.85Å; L874-L892 PolarHBondContact O-N 2.82Å; L874-I894 HydrophobicContact CD2-CD1 3.67Å; L874-I894 HydrophobicContact CD2-CG1 3.96Å; L874-I894 HydrophobicContact CD2-CG2 4.12Å |
| 875 | T | 95.9 | Very high | 89.1 | Confident | 0 Ų | 0 | 45.1 Ų | 45.1 | 0% | 0 | 24% | 0.238 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -141.3 | 161.4 | -169.2 | 55.7 | 0 | 0 | 0 | 0 | 111.5 | F800 L833 T837 V851 H853 T873 I889 V890 | F800-T875 HydrophobicContact CE2-CG2 4.09Å; F800-T875 HydrophobicContact CZ-CG2 3.96Å; L833-T875 HydrophobicContact CD1-CG2 4.18Å; L833-T875 HydrophobicContact CG-CG2 4.42Å; T837-T875 VanDerWaalsContact CG2-OG1 3.3Å; T837-T875 WeakPolarHBondContact CG2-OG1 3.4Å; T837-T875 PolarHBondContact OG1-OG1 3.19Å; V851-T875 PolarHBondContact N-O 2.87Å; V851-T875 PolarHBondContact O-N 2.86Å; V851-T875 PolarHBondContact O-OG1 2.91Å; H853-T875 PolarHBondContact CD2-OG1 3.31Å; H853-T875 PolarHBondContact NE2-OG1 3.01Å; T873-T875 HydrophobicContact CG2-CG2 4.07Å; T875-I889 HydrophobicContact CG2-CD1 4.31Å; T875-V890 CarbonylContact C-O 3.57Å; T875-V890 WeakPolarHBondContact CA-O 3.45Å |
| 876 | T | 95.6 | Very high | 89.8 | Confident | 1 Ų | 1 | 41.5 Ų | 41.5 | 1% | 0.006 | 21% | 0.213 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -149.9 | 150 | 170.5 | -169.5 | 0 | 0 | 0 | 0 | 109.6 | T51 E53 V849 I889 V890 | T51-T876 HydrophobicContact CG2-CG2 4.38Å; E53-T876 HydrophobicContact CB-CG2 3.68Å; E53-T876 HydrophobicContact CG-CG2 3.83Å; V849-T876 VanDerWaalsContact O-CB 3.24Å; V849-T876 WeakPolarHBondContact O-CB 3.42Å; V849-T876 PolarHBondContact O-OG1 3.11Å; T876-I889 WeakPolarHBondContact O-CA 3.49Å; T876-V890 HydrophobicContact CG2-CG2 3.58Å; T876-V890 PolarHBondContact N-O 3.05Å; T876-V890 PolarHBondContact O-N 2.92Å |
| 877 | T | 94.5 | Very high | 90.4 | Very high | 1 Ų | 1 | 36.4 Ų | 36.4 | 1% | 0.006 | 19% | 0.189 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -86 | 135.1 | -178.4 | -51.3 | 0 | 0 | 0 | 0 | 110.3 | I838 S841 F879 P886 | I838-T877 HydrophobicContact CG1-CG2 4.01Å; S841-T877 PolarHBondContact OG-OG1 2.91Å; S841-T877 VanDerWaalsContact OG-OG1 3.06Å; T877-F879 HydrophobicContact CG2-CD1 3.86Å; T877-F879 HydrophobicContact CG2-CD2 4.11Å; T877-F879 HydrophobicContact CG2-CE1 3.48Å; T877-F879 VanDerWaalsContact CG2-CE1 3.48Å; T877-F879 HydrophobicContact CG2-CE2 3.76Å; T877-F879 HydrophobicContact CG2-CG 4.17Å; T877-F879 HydrophobicContact CG2-CZ 3.42Å; T877-F879 VanDerWaalsContact CG2-CZ 3.42Å; T877-P886 HydrophobicContact CG2-CB 3.84Å |
| 878 | V | 94.2 | Very high | 90.9 | Very high | 0 Ų | 0 | 27.2 Ų | 27.2 | 0% | 0 | 15% | 0.15 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -93.8 | 105.7 | 171.4 | -166.3 | 0 | 0 | 0 | 0 | 108.8 | E53 L56 K57 Y60 M887 G888 V890 | E53-V878 HydrophobicContact CG-CG2 4.29Å; L56-V878 HydrophobicContact CB-CG1 3.88Å; L56-V878 HydrophobicContact CB-CG2 4.21Å; L56-V878 HydrophobicContact CD1-CG2 4.21Å; K57-V878 HydrophobicContact CB-CG1 4.27Å; Y60-V878 HydrophobicContact CD2-CB 4.37Å; Y60-V878 HydrophobicContact CD2-CG1 3.57Å; Y60-V878 HydrophobicContact CE2-CB 4.27Å; Y60-V878 HydrophobicContact CE2-CG1 3.85Å; V878-M887 PolarHBondContact O-N 3.28Å; V878-G888 PolarHBondContact N-O 3.17Å; V878-V890 HydrophobicContact CG2-CG1 4.01Å; V878-V890 HydrophobicContact CG2-CG2 4.08Å |
| 879 | F | 92.2 | Very high | 91.6 | Very high | 15 Ų | 15 | 22.8 Ų | 22.8 | 7% | 0.066 | 13% | 0.127 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -93.8 | 139.6 | -179.3 | -67.3 | -69.6 | 0 | 0 | 0 | 112.7 | T877 K884 T885 P886 | T877-F879 HydrophobicContact CG2-CD1 3.86Å; T877-F879 HydrophobicContact CG2-CD2 4.11Å; T877-F879 HydrophobicContact CG2-CE1 3.48Å; T877-F879 VanDerWaalsContact CG2-CE1 3.48Å; T877-F879 HydrophobicContact CG2-CE2 3.76Å; T877-F879 HydrophobicContact CG2-CG 4.17Å; T877-F879 HydrophobicContact CG2-CZ 3.42Å; T877-F879 VanDerWaalsContact CG2-CZ 3.42Å; F879-K884 HydrophobicContact CD1-CB 4.43Å; F879-K884 VanDerWaalsContact CD1-O 3.26Å; F879-K884 WeakPolarHBondContact CD1-O 3.33Å; F879-T885 CarbonylContact C-O 3.56Å; F879-T885 WeakPolarHBondContact CA-O 3.49Å; F879-P886 HydrophobicContact CD1-CB 4.31Å; F879-P886 HydrophobicContact CE1-CB 4.12Å |
| 880 | H | 91.8 | Very high | 92.1 | Very high | 27 Ų | 27 | 18.6 Ų | 18.6 | 13% | 0.125 | 10% | 0.104 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -78.9 | 128.9 | 160.7 | 172.7 | -77.5 | 0 | 0 | 0 | 109.6 | Y60 S883 K884 T885 M887 | Y60-H880 PolarHBondContact O-CD2 2.97Å; H880-S883 PolarHBondContact ND1-OG 3.01Å; H880-S883 VanDerWaalsContact ND1-OG 3.13Å; H880-S883 PolarHBondContact O-OG 3.29Å; H880-K884 WeakPolarHBondContact O-CA 3.36Å; H880-K884 PolarHBondContact O-N 2.5Å; H880-T885 PolarHBondContact N-O 2.95Å; H880-T885 PolarHBondContact O-N 2.95Å; H880-M887 HydrophobicContact CB-CG 3.74Å; H880-M887 HydrophobicContact CB-SD 4Å |
| 881 | E | 85.5 | Confident | 92.4 | Very high | 51 Ų | 51 | 18.3 Ų | 18.3 | 24% | 0.238 | 10% | 0.102 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -103 | 145.5 | -179.2 | -61.7 | -70.4 | -176.2 | 0 | 0 | 110.6 | K57 | K57-E881 IonicContact NZ-OE1 3.98Å; K57-E881 PolarHBondContact NZ-OE1 3.07Å |
| 882 | P | 84 | Confident | 92.7 | Very high | 119 Ų | 119 | 18.1 Ų | 18.1 | 77% | 0.773 | 10% | 0.101 | S | C | * | . | T | Hydrogen-bonded Turn | cis | -91.3 | -2.5 | 7.4 | 35.7 | -36.1 | 0 | 0 | 0 | 114.5 | K884 | P882-K884 PolarHBondContact O-N 2.94Š|
| 883 | S | 85.8 | Confident | 92.8 | Very high | 44 Ų | 44 | 18 Ų | 18 | 31% | 0.308 | 10% | 0.101 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -71.5 | -9.3 | -173 | 58 | 0 | 0 | 0 | 0 | 114.8 | A67 H880 T885 | A67-S883 WeakPolarHBondContact CB-OG 3.27Å; H880-S883 PolarHBondContact ND1-OG 3.01Å; H880-S883 VanDerWaalsContact ND1-OG 3.13Å; H880-S883 PolarHBondContact O-OG 3.29Å; S883-T885 WeakPolarHBondContact CB-OG1 3.47Å; S883-T885 PolarHBondContact O-N 2.84Å; S883-T885 PolarHBondContact OG-OG1 3.22Å |
| 884 | K | 88 | Confident | 92.8 | Very high | 91 Ų | 91 | 17.1 Ų | 17.1 | 40% | 0.396 | 10% | 0.095 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 51 | 42.9 | -172.2 | -59.1 | -162.7 | 177.3 | -154.9 | 0 | 113 | D847 F879 H880 P882 | D847-K884 IonicContact OD1-NZ 3.29Å; D847-K884 PolarHBondContact OD1-NZ 3.14Å; D847-K884 IonicContact OD2-NZ 2.77Å; D847-K884 PolarHBondContact OD2-NZ 3.12Å; F879-K884 HydrophobicContact CD1-CB 4.43Å; F879-K884 VanDerWaalsContact CD1-O 3.26Å; F879-K884 WeakPolarHBondContact CD1-O 3.33Å; H880-K884 WeakPolarHBondContact O-CA 3.36Å; H880-K884 PolarHBondContact O-N 2.5Å; P882-K884 PolarHBondContact O-N 2.94Å |
| 885 | T | 92.1 | Very high | 92.7 | Very high | 0 Ų | 0 | 17.3 Ų | 17.3 | 0% | 0 | 10% | 0.096 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -84.5 | 124.9 | -179.8 | -59.3 | 0 | 0 | 0 | 0 | 110.2 | A67 P674 P676 F879 H880 S883 M887 | A67-T885 HydrophobicContact CB-CG2 4.24Å; A67-T885 WeakPolarHBondContact CB-OG1 3.38Å; P674-T885 WeakPolarHBondContact CB-OG1 3.33Å; P674-T885 WeakPolarHBondContact CG-OG1 3.45Å; P676-T885 HydrophobicContact CB-CG2 4.49Å; P676-T885 HydrophobicContact CG-CG2 3.85Å; F879-T885 CarbonylContact C-O 3.56Å; F879-T885 WeakPolarHBondContact CA-O 3.49Å; H880-T885 PolarHBondContact N-O 2.95Å; H880-T885 PolarHBondContact O-N 2.95Å; S883-T885 WeakPolarHBondContact CB-OG1 3.47Å; S883-T885 PolarHBondContact O-N 2.84Å; S883-T885 PolarHBondContact OG-OG1 3.22Å; T885-M887 PolarHBondContact O-N 2.87Å |
| 886 | P | 93.2 | Very high | 92.6 | Very high | 9 Ų | 9 | 17.5 Ų | 17.5 | 6% | 0.058 | 10% | 0.097 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -73.7 | 110.5 | -177.5 | 28.7 | -33.2 | 0 | 0 | 0 | 111.2 | P676 I838 T877 F879 | P676-P886 WeakPolarHBondContact CG-O 3.37Å; I838-P886 HydrophobicContact CD1-CB 3.6Å; I838-P886 HydrophobicContact CD1-CG 3.96Å; I838-P886 HydrophobicContact CG1-CB 4.13Å; T877-P886 HydrophobicContact CG2-CB 3.84Å; F879-P886 HydrophobicContact CD1-CB 4.31Å; F879-P886 HydrophobicContact CE1-CB 4.12Å |
| 887 | M | 94.2 | Very high | 92.4 | Very high | 0 Ų | 0 | 19.6 Ų | 19.6 | 0% | 0 | 11% | 0.11 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -87.1 | -18.2 | 178.7 | -63.2 | -60.3 | -59 | 0 | 0 | 113 | Y60 F65 P676 H804 V878 H880 T885 | Y60-M887 HydrophobicContact CD1-CB 4.07Å; Y60-M887 HydrophobicContact CD1-CE 3.62Å; Y60-M887 HydrophobicContact CD1-CG 4.18Å; Y60-M887 HydrophobicContact CD2-CB 3.48Å; Y60-M887 VanDerWaalsContact CD2-CB 3.48Å; Y60-M887 HydrophobicContact CD2-CG 3.95Å; Y60-M887 HydrophobicContact CE1-CB 4.13Å; Y60-M887 HydrophobicContact CE1-CE 3.91Å; Y60-M887 HydrophobicContact CE2-CB 3.52Å; Y60-M887 HydrophobicContact CE2-CG 4.44Å; Y60-M887 HydrophobicContact CG-CB 3.75Å; Y60-M887 HydrophobicContact CG-CE 4.18Å; Y60-M887 HydrophobicContact CG-CG 3.78Å; F65-M887 HydrophobicContact CB-CE 3.97Å; F65-M887 HydrophobicContact CD1-CE 3.47Å; F65-M887 VanDerWaalsContact CD1-CE 3.47Å; F65-M887 HydrophobicContact CE1-CE 4.22Å; F65-M887 HydrophobicContact CG-CE 3.95Å; P676-M887 HydrophobicContact CB-CE 3.94Å; P676-M887 HydrophobicContact CB-SD 3.6Å; P676-M887 VanDerWaalsContact CB-SD 3.6Å; P676-M887 HydrophobicContact CG-CE 4.49Å; P676-M887 HydrophobicContact CG-SD 3.72Å; H804-M887 VanDerWaalsContact CB-O 3.29Å; H804-M887 WeakPolarHBondContact CB-O 3.2Å; H804-M887 PolarHBondContact N-O 3.32Å; V878-M887 PolarHBondContact O-N 3.28Å; H880-M887 HydrophobicContact CB-CG 3.74Å; H880-M887 HydrophobicContact CB-SD 4Å; T885-M887 PolarHBondContact O-N 2.87Å |
| 888 | G | 94.7 | Very high | 92.3 | Very high | 2 Ų | 2 | 20.5 Ų | 20.5 | 2% | 0.021 | 11% | 0.114 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 169.1 | 177.5 | -179.5 | 0 | 0 | 0 | 0 | 0 | 111.2 | F802 Y834 V878 | F802-G888 CarbonylContact O-C 3.58Å; F802-G888 WeakPolarHBondContact O-CA 3.13Å; Y834-G888 WeakPolarHBondContact OH-CA 3.48Å; Y834-G888 PolarHBondContact OH-N 2.97Å; V878-G888 PolarHBondContact N-O 3.17Å |
| 889 | I | 95.7 | Very high | 92.3 | Very high | 0 Ų | 0 | 20.5 Ų | 20.5 | 0% | 0 | 11% | 0.114 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.4 | 150.3 | 167.7 | 65.5 | 159.6 | 0 | 0 | 0 | 109.5 | S801 F802 L833 Y834 T837 I838 T875 T876 | S801-I889 WeakPolarHBondContact CA-O 3.47Å; F802-I889 HydrophobicContact CB-CG1 3.82Å; F802-I889 HydrophobicContact CD2-CD1 3.78Å; F802-I889 HydrophobicContact CD2-CG1 3.81Å; F802-I889 HydrophobicContact CE2-CD1 4.49Å; F802-I889 HydrophobicContact CG-CG1 4.27Å; F802-I889 PolarHBondContact N-O 3.05Å; F802-I889 PolarHBondContact O-N 3.37Å; L833-I889 HydrophobicContact CG-CD1 4.29Å; Y834-I889 HydrophobicContact CD2-CB 4.43Å; Y834-I889 HydrophobicContact CD2-CD1 4.17Å; Y834-I889 HydrophobicContact CD2-CG1 3.68Å; Y834-I889 HydrophobicContact CD2-CG2 4.05Å; Y834-I889 HydrophobicContact CE2-CG1 4.1Å; Y834-I889 HydrophobicContact CE2-CG2 4.05Å; Y834-I889 HydrophobicContact CG-CG1 4.48Å; Y834-I889 HydrophobicContact CG-CG2 4.43Å; T837-I889 HydrophobicContact CG2-CB 4.25Å; T837-I889 HydrophobicContact CG2-CG2 3.78Å; I838-I889 HydrophobicContact CG1-CG2 4.35Å; T875-I889 HydrophobicContact CG2-CD1 4.31Å; T876-I889 WeakPolarHBondContact O-CA 3.49Å |
| 890 | V | 96.5 | Very high | 92.4 | Very high | 0 Ų | 0 | 20.6 Ų | 20.6 | 0% | 0 | 12% | 0.115 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.6 | 149.8 | 170 | -66.8 | 0 | 0 | 0 | 0 | 109.9 | E53 L56 F800 T875 T876 V878 | E53-V890 HydrophobicContact CB-CG2 3.69Å; L56-V890 HydrophobicContact CD1-CG1 3.3Å; F800-V890 WeakPolarHBondContact O-CA 3.44Å; T875-V890 CarbonylContact C-O 3.57Å; T875-V890 WeakPolarHBondContact CA-O 3.45Å; T876-V890 HydrophobicContact CG2-CG2 3.58Å; T876-V890 PolarHBondContact N-O 3.05Å; T876-V890 PolarHBondContact O-N 2.92Å; V878-V890 HydrophobicContact CG2-CG1 4.01Å; V878-V890 HydrophobicContact CG2-CG2 4.08Å |
| 891 | G | 96 | Very high | 92.5 | Very high | 0 Ų | 0 | 23.6 Ų | 23.6 | 0% | 0 | 13% | 0.132 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -156.5 | 172.6 | -178 | 0 | 0 | 0 | 0 | 0 | 114.3 | A799 F800 L874 | A799-G891 WeakPolarHBondContact CA-O 3.3Å; F800-G891 PolarHBondContact N-O 2.74Å; F800-G891 PolarHBondContact O-N 3.2Å; L874-G891 CarbonylContact O-C 3.59Å; L874-G891 WeakPolarHBondContact O-CA 3.33Å |
| 892 | L | 96.1 | Very high | 92.9 | Very high | 0 Ų | 0 | 22 Ų | 22 | 0% | 0 | 12% | 0.124 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.5 | 150.3 | 175.4 | -50.7 | 172.4 | 0 | 0 | 0 | 109.1 | L47 I50 T51 I796 Q798 A799 L874 | L47-L892 HydrophobicContact CB-CD1 4.35Å; L47-L892 HydrophobicContact CD2-CD1 4.27Å; I50-L892 HydrophobicContact CB-CD1 4.05Å; I50-L892 HydrophobicContact CG2-CD1 4.13Å; I50-L892 HydrophobicContact CG2-CD2 3.97Å; T51-L892 HydrophobicContact CG2-CD1 4.21Å; T51-L892 HydrophobicContact CG2-CG 4.15Å; I796-L892 HydrophobicContact CD1-CD1 3.99Å; I796-L892 HydrophobicContact CG2-CB 4.21Å; I796-L892 HydrophobicContact CG2-CD2 4.18Å; Q798-L892 CarbonylContact O-C 3.48Å; Q798-L892 WeakPolarHBondContact O-CA 3.16Å; A799-L892 HydrophobicContact CB-CD2 3.59Å; L874-L892 HydrophobicContact CD1-CB 3.78Å; L874-L892 HydrophobicContact CD1-CD1 3.91Å; L874-L892 HydrophobicContact CD1-CG 3.89Å; L874-L892 HydrophobicContact CD2-CB 4.29Å; L874-L892 HydrophobicContact CG-CB 3.93Å; L874-L892 PolarHBondContact N-O 2.85Å; L874-L892 PolarHBondContact O-N 2.82Å |
| 893 | Q | 94.2 | Very high | 93.4 | Very high | 0 Ų | 0 | 16.4 Ų | 16.4 | 0% | 0 | 9% | 0.088 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.3 | 120.1 | 165.9 | -168.2 | 178.9 | 44.7 | 0 | 0 | 108.7 | Q797 Q798 P871 | Q797-Q893 PolarHBondContact N-O 3.04Å; Q798-Q893 HydrophobicContact CB-CB 4.22Å; Q798-Q893 PolarHBondContact O-N 2.84Å; P871-Q893 HydrophobicContact CB-CG 4Å |
| 894 | I | 93.9 | Very high | 93.7 | Very high | 0 Ų | 0 | 16.7 Ų | 16.7 | 0% | 0 | 9% | 0.086 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122 | -178 | 173.3 | 67.1 | 175 | 0 | 0 | 0 | 109.2 | L47 W794 I796 P871 V872 L874 I899 | L47-I894 HydrophobicContact CD1-CD1 4.45Å; W794-I894 HydrophobicContact CE3-CD1 4.29Å; I796-I894 HydrophobicContact CB-CG2 4.38Å; I796-I894 HydrophobicContact CG1-CG2 3.74Å; P871-I894 CarbonylContact C-O 3.59Å; P871-I894 WeakPolarHBondContact CA-O 3.29Å; V872-I894 HydrophobicContact CB-CG1 4.29Å; V872-I894 PolarHBondContact N-O 3.33Å; V872-I894 PolarHBondContact O-N 3.3Å; L874-I894 HydrophobicContact CD2-CD1 3.67Å; L874-I894 HydrophobicContact CD2-CG1 3.96Å; L874-I894 HydrophobicContact CD2-CG2 4.12Å; I894-I899 HydrophobicContact CD1-CD1 3.83Å; I894-I899 HydrophobicContact CD1-CG1 3.68Å; I894-I899 HydrophobicContact CG1-CD1 4.36Å; I894-I899 HydrophobicContact CG1-CG1 4.49Å |
| 895 | T | 92.2 | Very high | 93.9 | Very high | 4 Ų | 4 | 18.3 Ų | 18.3 | 3% | 0.025 | 9% | 0.09 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.2 | 142.1 | 179.5 | 41.9 | 0 | 0 | 0 | 0 | 111.1 | N869 V870 T897 Q898 | N869-T895 HydrophobicContact CB-CG2 3.63Å; V870-T895 CarbonylContact O-C 3.5Å; V870-T895 WeakPolarHBondContact O-CA 3.33Å; T895-T897 PolarHBondContact O-N 3.09Å; T895-Q898 WeakPolarHBondContact O-CB 3.38Å; T895-Q898 PolarHBondContact O-N 2.93Å; T895-Q898 VanDerWaalsContact OG1-CD 3.27Å; T895-Q898 PolarHBondContact OG1-OE1 3.41Å |
| 896 | H | 93.4 | Very high | 94 | Very high | 3 Ų | 3 | 18.4 Ų | 18.4 | 1% | 0.014 | 9% | 0.09 | C | C | . | . | H | α-helix | trans | -53.4 | -40.2 | -178.7 | 173.8 | -99.4 | 0 | 0 | 0 | 112.2 | F860 V870 V872 Q898 I899 Q900 L935 | F860-H896 HydrophobicContact CE2-CB 4.33Å; F860-H896 AromaticContact CE2-CE1 3.88Å; F860-H896 AromaticContact CE2-CG 3.72Å; F860-H896 AromaticContact CE2-ND1 3.64Å; F860-H896 AromaticContact CZ-ND1 3.92Å; V870-H896 HydrophobicContact CB-CB 4.01Å; V870-H896 PolarHBondContact O-N 3.32Å; V872-H896 HydrophobicContact CG2-CB 3.86Å; H896-Q898 PolarHBondContact O-N 2.89Å; H896-I899 WeakPolarHBondContact O-CA 3.17Å; H896-I899 WeakPolarHBondContact O-CB 3.4Å; H896-I899 PolarHBondContact O-N 2.92Å; H896-Q900 PolarHBondContact O-N 3.24Å; H896-L935 PolarHBondContact CD2-O 3.29Å; H896-L935 VanDerWaalsContact CD2-O 3.32Å; H896-L935 PolarHBondContact NE2-O 3.28Å |
| 897 | T | 92.3 | Very high | 93.8 | Very high | 46 Ų | 46 | 18 Ų | 18 | 28% | 0.282 | 9% | 0.087 | S | C | . | . | H | α-helix | trans | -53.6 | -31.1 | 178.8 | -44.4 | 0 | 0 | 0 | 0 | 112.9 | T895 N901 | T895-T897 PolarHBondContact O-N 3.09Å; T897-N901 VanDerWaalsContact O-CB 3.23Å; T897-N901 WeakPolarHBondContact O-CB 3.43Å; T897-N901 PolarHBondContact O-N 2.86Å; T897-N901 PolarHBondContact O-ND2 2.68Å; T897-N901 VanDerWaalsContact O-ND2 3.13Å |
| 898 | Q | 92.5 | Very high | 93.5 | Very high | 20 Ų | 20 | 22 Ų | 22 | 9% | 0.093 | 11% | 0.109 | C | C | . | . | H | α-helix | trans | -78.1 | -37.7 | -178.4 | -82.7 | 50.7 | 35.3 | 0 | 0 | 110.3 | W794 K795 T895 H896 E902 | W794-Q898 HydrophobicContact CE3-CB 4.32Å; K795-Q898 HydrophobicContact CB-CG 4.2Å; K795-Q898 HydrophobicContact CG-CG 4.26Å; T895-Q898 WeakPolarHBondContact O-CB 3.38Å; T895-Q898 PolarHBondContact O-N 2.93Å; T895-Q898 VanDerWaalsContact OG1-CD 3.27Å; T895-Q898 PolarHBondContact OG1-OE1 3.41Å; H896-Q898 PolarHBondContact O-N 2.89Å; Q898-E902 WeakPolarHBondContact O-CB 3.23Å; Q898-E902 PolarHBondContact O-N 3.04Å; Q898-E902 VanDerWaalsContact O-N 3.1Å |
| 899 | I | 94.4 | Very high | 93.1 | Very high | 0 Ų | 0 | 24.5 Ų | 24.5 | 0% | 0 | 12% | 0.124 | C | C | . | . | H | α-helix | trans | -64.1 | -49.6 | 171.9 | -56.1 | 177.1 | 0 | 0 | 0 | 109.4 | F852 V872 I894 H896 N901 E902 F903 L935 | F852-I899 HydrophobicContact CD1-CD1 4.37Å; F852-I899 HydrophobicContact CE1-CD1 4.49Å; V872-I899 HydrophobicContact CB-CD1 3.96Å; V872-I899 HydrophobicContact CG1-CD1 3.69Å; V872-I899 HydrophobicContact CG2-CD1 4.05Å; I894-I899 HydrophobicContact CD1-CD1 3.83Å; I894-I899 HydrophobicContact CD1-CG1 3.68Å; I894-I899 HydrophobicContact CG1-CD1 4.36Å; I894-I899 HydrophobicContact CG1-CG1 4.49Å; H896-I899 WeakPolarHBondContact O-CA 3.17Å; H896-I899 WeakPolarHBondContact O-CB 3.4Å; H896-I899 PolarHBondContact O-N 2.92Å; I899-N901 PolarHBondContact O-N 3.45Å; I899-E902 PolarHBondContact O-N 3.42Å; I899-F903 VanDerWaalsContact O-CB 3.29Å; I899-F903 WeakPolarHBondContact O-CB 3.49Å; I899-F903 PolarHBondContact O-N 3.04Å; I899-L935 HydrophobicContact CD1-CD1 4.41Å; I899-L935 HydrophobicContact CD1-CD2 4.44Å; I899-L935 HydrophobicContact CG2-CD2 4.41Å |
| 900 | Q | 94.1 | Very high | 92.4 | Very high | 16 Ų | 16 | 27 Ų | 27 | 8% | 0.075 | 14% | 0.14 | C | C | . | . | H | α-helix | trans | -60.3 | -43.8 | 179 | -172.4 | 69.5 | 48.5 | 0 | 0 | 112.1 | H896 E902 F903 N904 S937 | H896-Q900 PolarHBondContact O-N 3.24Å; Q900-E902 PolarHBondContact O-N 3.05Å; Q900-F903 PolarHBondContact O-N 3.34Å; Q900-N904 PolarHBondContact NE2-OD1 2.94Å; Q900-N904 WeakPolarHBondContact O-CB 3.39Å; Q900-N904 PolarHBondContact O-N 2.73Å; Q900-N904 PolarHBondContact O-ND2 2.88Å; Q900-N904 PolarHBondContact O-OD1 3.16Å; Q900-S937 PolarHBondContact NE2-O 2.95Å; Q900-S937 PolarHBondContact OE1-O 3.44Å |
| 901 | N | 93.5 | Very high | 91.4 | Very high | 90 Ų | 90 | 31.2 Ų | 31.2 | 48% | 0.481 | 16% | 0.159 | S | C | . | . | H | α-helix | trans | -63.1 | -42.8 | 178 | -76.1 | -20.4 | 0 | 0 | 0 | 111.9 | T897 I899 R905 | T897-N901 VanDerWaalsContact O-CB 3.23Å; T897-N901 WeakPolarHBondContact O-CB 3.43Å; T897-N901 PolarHBondContact O-N 2.86Å; T897-N901 PolarHBondContact O-ND2 2.68Å; T897-N901 VanDerWaalsContact O-ND2 3.13Å; I899-N901 PolarHBondContact O-N 3.45Å; N901-R905 WeakPolarHBondContact O-CB 3.36Å; N901-R905 PolarHBondContact O-N 3.3Å |
| 902 | E | 94 | Very high | 90.2 | Very high | 19 Ų | 19 | 33.6 Ų | 33.6 | 9% | 0.089 | 17% | 0.173 | C | C | . | . | H | α-helix | trans | -69.7 | -39.9 | 178.7 | -174 | 65.9 | 176 | 0 | 0 | 111.7 | S43 W794 Q898 I899 Q900 R905 I906 | S43-E902 VanDerWaalsContact CB-OE1 3.29Å; S43-E902 WeakPolarHBondContact CB-OE1 3.19Å; S43-E902 PolarHBondContact OG-OE1 3.38Å; W794-E902 HydrophobicContact CH2-CB 3.96Å; W794-E902 HydrophobicContact CH2-CG 3.79Å; W794-E902 HydrophobicContact CZ2-CG 4.26Å; W794-E902 HydrophobicContact CZ3-CB 4.27Å; Q898-E902 WeakPolarHBondContact O-CB 3.23Å; Q898-E902 PolarHBondContact O-N 3.04Å; Q898-E902 VanDerWaalsContact O-N 3.1Å; I899-E902 PolarHBondContact O-N 3.42Å; Q900-E902 PolarHBondContact O-N 3.05Å; E902-R905 VanDerWaalsContact CD-NH2 3.33Å; E902-R905 PolarHBondContact O-N 2.77Å; E902-R905 IonicContact OE1-CZ 3.23Å; E902-R905 IonicContact OE1-NE 3.7Å; E902-R905 IonicContact OE1-NH2 3.77Å; E902-R905 PolarHBondContact OE1-NH2 2.76Å; E902-R905 IonicContact OE2-CZ 2.74Å; E902-R905 IonicContact OE2-NE 2.71Å; E902-R905 PolarHBondContact OE2-NE 2.84Å; E902-R905 IonicContact OE2-NH2 3.29Å; E902-R905 PolarHBondContact OE2-NH2 3.22Å; E902-I906 HydrophobicContact CG-CD1 4.01Å; E902-I906 WeakPolarHBondContact O-CG1 3.4Å; E902-I906 PolarHBondContact O-N 2.99Å |
| 903 | F | 94.9 | Very high | 88.9 | Confident | 1 Ų | 1 | 36.9 Ų | 36.9 | 0% | 0.004 | 21% | 0.207 | C | C | . | . | H | α-helix | trans | -56.3 | -57.5 | 172.1 | 171.7 | -121 | 0 | 0 | 0 | 110.8 | I899 Q900 R905 I906 T907 C925 I927 A936 N938 L1358 | I899-F903 VanDerWaalsContact O-CB 3.29Å; I899-F903 WeakPolarHBondContact O-CB 3.49Å; I899-F903 PolarHBondContact O-N 3.04Å; Q900-F903 PolarHBondContact O-N 3.34Å; F903-R905 VanDerWaalsContact C-N 3.31Å; F903-R905 PolarHBondContact O-N 2.87Å; F903-I906 PolarHBondContact O-N 2.05Å; F903-I906 VanDerWaalsContact O-N 3.14Å; F903-T907 HydrophobicContact CD2-CG2 3.72Å; F903-T907 HydrophobicContact CE2-CG2 3.46Å; F903-T907 VanDerWaalsContact CE2-CG2 3.46Å; F903-T907 HydrophobicContact CZ-CG2 4.12Å; F903-T907 WeakPolarHBondContact O-CG2 3.44Å; F903-T907 PolarHBondContact O-N 3.22Å; F903-T907 PolarHBondContact O-OG1 3.32Å; F903-C925 HydrophobicContact CZ-CB 3.86Å; F903-I927 HydrophobicContact CB-CD1 3.97Å; F903-I927 HydrophobicContact CD2-CD1 3.48Å; F903-I927 VanDerWaalsContact CD2-CD1 3.48Å; F903-I927 HydrophobicContact CD2-CG1 3.61Å; F903-I927 HydrophobicContact CE2-CD1 4.16Å; F903-I927 HydrophobicContact CE2-CG1 3.74Å; F903-I927 HydrophobicContact CG-CD1 3.88Å; F903-I927 HydrophobicContact CG-CG1 4.25Å; F903-I927 HydrophobicContact CZ-CG1 4.49Å; F903-A936 HydrophobicContact CD1-CB 3.96Å; F903-A936 HydrophobicContact CE1-CB 4.41Å; F903-A936 HydrophobicContact CG-CB 4.28Å; F903-N938 HydrophobicContact CE1-CB 4.27Å; F903-L1358 HydrophobicContact CE2-CD1 3.82Å |
| 904 | N | 92.9 | Very high | 87.8 | Confident | 49 Ų | 49 | 44.9 Ų | 44.9 | 26% | 0.262 | 24% | 0.242 | S | C | . | . | H | α-helix | trans | -57.9 | -42.4 | 178.8 | -69.7 | -9.3 | 0 | 0 | 0 | 111.9 | Q900 I906 T907 N908 | Q900-N904 PolarHBondContact NE2-OD1 2.94Å; Q900-N904 WeakPolarHBondContact O-CB 3.39Å; Q900-N904 PolarHBondContact O-N 2.73Å; Q900-N904 PolarHBondContact O-ND2 2.88Å; Q900-N904 PolarHBondContact O-OD1 3.16Å; N904-I906 VanDerWaalsContact C-N 3.32Å; N904-I906 PolarHBondContact O-N 3.1Å; N904-T907 WeakPolarHBondContact CA-OG1 3.24Å; N904-T907 PolarHBondContact O-OG1 3.09Å; N904-N908 WeakPolarHBondContact O-CB 3.37Å; N904-N908 PolarHBondContact O-N 2.7Å; N904-N908 PolarHBondContact O-ND2 3.23Å |
| 905 | R | 92.2 | Very high | 86.8 | Confident | 126 Ų | 126 | 46.1 Ų | 46.1 | 48% | 0.475 | 25% | 0.25 | S | S | . | . | H | α-helix | trans | -59.9 | -43.2 | 178.9 | -172.1 | -169.7 | 68.6 | 70.1 | -0.9 | 111.3 | N901 E902 F903 T909 | N901-R905 WeakPolarHBondContact O-CB 3.36Å; N901-R905 PolarHBondContact O-N 3.3Å; E902-R905 VanDerWaalsContact CD-NH2 3.33Å; E902-R905 PolarHBondContact O-N 2.77Å; E902-R905 IonicContact OE1-CZ 3.23Å; E902-R905 IonicContact OE1-NE 3.7Å; E902-R905 IonicContact OE1-NH2 3.77Å; E902-R905 PolarHBondContact OE1-NH2 2.76Å; E902-R905 IonicContact OE2-CZ 2.74Å; E902-R905 IonicContact OE2-NE 2.71Å; E902-R905 PolarHBondContact OE2-NE 2.84Å; E902-R905 IonicContact OE2-NH2 3.29Å; E902-R905 PolarHBondContact OE2-NH2 3.22Å; F903-R905 VanDerWaalsContact C-N 3.31Å; F903-R905 PolarHBondContact O-N 2.87Å; R905-T909 PolarHBondContact O-OG1 3.02Å |
| 906 | I | 92.3 | Very high | 86 | Confident | 2 Ų | 2 | 49.2 Ų | 49.2 | 1% | 0.01 | 27% | 0.265 | C | S | . | . | H | α-helix | trans | -73.9 | -48.2 | -178.6 | -68.3 | 167.7 | 0 | 0 | 0 | 110.6 | W36 E39 L40 E902 F903 N904 N908 T909 | W36-I906 HydrophobicContact CB-CG2 3.92Å; W36-I906 VanDerWaalsContact CD1-O 3.31Å; W36-I906 HydrophobicContact CG-CG2 4.08Å; W36-I906 PolarHBondContact NE1-O 3.02Å; E39-I906 HydrophobicContact CB-CD1 4.22Å; E39-I906 HydrophobicContact CB-CG1 4.41Å; E39-I906 HydrophobicContact CB-CG2 4.11Å; L40-I906 HydrophobicContact CB-CD1 4.48Å; L40-I906 HydrophobicContact CD2-CD1 3.66Å; L40-I906 HydrophobicContact CG-CD1 3.85Å; L40-I906 HydrophobicContact CG-CG2 4.28Å; E902-I906 HydrophobicContact CG-CD1 4.01Å; E902-I906 WeakPolarHBondContact O-CG1 3.4Å; E902-I906 PolarHBondContact O-N 2.99Å; F903-I906 PolarHBondContact O-N 2.05Å; F903-I906 VanDerWaalsContact O-N 3.14Å; N904-I906 VanDerWaalsContact C-N 3.32Å; N904-I906 PolarHBondContact O-N 3.1Å; I906-N908 VanDerWaalsContact C-N 3.27Å; I906-N908 PolarHBondContact O-N 2.96Å; I906-T909 WeakPolarHBondContact O-CB 3.4Å; I906-T909 PolarHBondContact O-N 2.66Å; I906-T909 VanDerWaalsContact O-N 3.11Å |
| 907 | T | 90.4 | Very high | 85.4 | Confident | 0 Ų | 0 | 50.9 Ų | 50.9 | 0% | 0 | 28% | 0.275 | C | S | . | . | H | α-helix | trans | -70.9 | -20.6 | -176.8 | 56.6 | 0 | 0 | 0 | 0 | 114.2 | W36 F903 N904 T909 C918 | W36-T907 HydrophobicContact CE3-CG2 4.36Å; W36-T907 WeakPolarHBondContact CZ2-O 3.23Å; F903-T907 HydrophobicContact CD2-CG2 3.72Å; F903-T907 HydrophobicContact CE2-CG2 3.46Å; F903-T907 VanDerWaalsContact CE2-CG2 3.46Å; F903-T907 HydrophobicContact CZ-CG2 4.12Å; F903-T907 WeakPolarHBondContact O-CG2 3.44Å; F903-T907 PolarHBondContact O-N 3.22Å; F903-T907 PolarHBondContact O-OG1 3.32Å; N904-T907 WeakPolarHBondContact CA-OG1 3.24Å; N904-T907 PolarHBondContact O-OG1 3.09Å; T907-T909 VanDerWaalsContact C-N 3.32Å; T907-C918 WeakPolarHBondContact CB-SG 3.05Å; T907-C918 HydrophobicContact CG2-CB 4.48Å |
| 908 | N | 87.8 | Confident | 85.1 | Confident | 85 Ų | 85 | 49.2 Ų | 49.2 | 46% | 0.455 | 27% | 0.265 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -88.3 | -1.1 | 174.3 | -63.7 | -9.4 | 0 | 0 | 0 | 112.8 | N904 I906 | N904-N908 WeakPolarHBondContact O-CB 3.37Å; N904-N908 PolarHBondContact O-N 2.7Å; N904-N908 PolarHBondContact O-ND2 3.23Å; I906-N908 VanDerWaalsContact C-N 3.27Å; I906-N908 PolarHBondContact O-N 2.96Å |
| 909 | T | 85.4 | Confident | 84.6 | Confident | 54 Ų | 54 | 50.6 Ų | 50.6 | 33% | 0.331 | 29% | 0.285 | S | S | . | . | trans | -95 | 115.7 | 177.9 | -56.3 | 0 | 0 | 0 | 0 | 110.4 | W36 R905 I906 T907 F911 | W36-T909 PolarHBondContact NE1-O 2.77Å; R905-T909 PolarHBondContact O-OG1 3.02Å; I906-T909 WeakPolarHBondContact O-CB 3.4Å; I906-T909 PolarHBondContact O-N 2.66Å; I906-T909 VanDerWaalsContact O-N 3.11Å; T907-T909 VanDerWaalsContact C-N 3.32Å; T909-F911 HydrophobicContact CG2-CD2 4.47Å; T909-F911 HydrophobicContact CG2-CE1 4.03Å; T909-F911 HydrophobicContact CG2-CE2 3.95Å; T909-F911 HydrophobicContact CG2-CZ 3.73Å; T909-F911 WeakPolarHBondContact O-CD2 3.5Å; T909-F911 WeakPolarHBondContact O-CE2 3.48Å | ||
| 910 | C | 82.5 | Confident | 84 | Confident | 51 Ų | 51 | 53.7 Ų | 53.7 | 35% | 0.345 | 30% | 0.299 | S | S | . | . | trans | -85.9 | 117.4 | 172.1 | -67.3 | 0 | 0 | 0 | 0 | 111.4 | C915 | C910-C915 WeakPolarHBondContact CA-SG 3.39Å; C910-C915 HydrophobicContact CB-CB 3.81Å; C910-C915 WeakPolarHBondContact CB-SG 3.48Å; C910-C915 WeakPolarHBondContact SG-CB 3.5Å; C910-C915 CovalentContact SG-SG 2.03Å; C910-C915 PolarHBondContact SG-SG 3.34Å | ||
| 911 | F | 75.5 | Confident | 83.3 | Confident | 90 Ų | 90 | 59.7 Ų | 59.7 | 40% | 0.395 | 34% | 0.339 | S | S | . | . | S | Bend | trans | -90.9 | -24.4 | 179.9 | -64.3 | -85.7 | 0 | 0 | 0 | 113.2 | N32 R35 W36 E39 T909 | N32-F911 PolarHBondContact OD1-N 3.09Å; R35-F911 HydrophobicContact CB-CD2 4.02Å; R35-F911 HydrophobicContact CB-CE2 4.42Å; R35-F911 HydrophobicContact CB-CG 4.37Å; R35-F911 HydrophobicContact CG-CB 4.32Å; R35-F911 HydrophobicContact CG-CD1 3.94Å; R35-F911 HydrophobicContact CG-CD2 3.59Å; R35-F911 HydrophobicContact CG-CE1 4.12Å; R35-F911 HydrophobicContact CG-CE2 3.8Å; R35-F911 HydrophobicContact CG-CG 3.67Å; R35-F911 HydrophobicContact CG-CZ 4.05Å; W36-F911 AromaticContact CD1-CE2 3.65Å; W36-F911 AromaticContact NE1-CE2 3.81Å; E39-F911 HydrophobicContact CG-CZ 4.13Å; T909-F911 HydrophobicContact CG2-CD2 4.47Å; T909-F911 HydrophobicContact CG2-CE1 4.03Å; T909-F911 HydrophobicContact CG2-CE2 3.95Å; T909-F911 HydrophobicContact CG2-CZ 3.73Å; T909-F911 WeakPolarHBondContact O-CD2 3.5Å; T909-F911 WeakPolarHBondContact O-CE2 3.48Å |
| 912 | T | 70.7 | Confident | 82.6 | Confident | 50 Ų | 50 | 56.5 Ų | 56.5 | 31% | 0.307 | 33% | 0.328 | S | S | . | . | S | Bend | trans | -92.2 | -1.3 | -178.6 | 58.8 | 0 | 0 | 0 | 0 | 114 | Q31 N32 K914 | Q31-T912 HydrophobicContact CB-CG2 3.89Å; N32-T912 PolarHBondContact ND2-OG1 3.09Å; N32-T912 PolarHBondContact OD1-N 2.89Å; T912-K914 VanDerWaalsContact C-N 3.26Å; T912-K914 PolarHBondContact O-N 2.77Å; T912-K914 PolarHBondContact OG1-O 2.96Å |
| 913 | G | 68.8 | Low | 82.2 | Confident | 69 Ų | 69 | 55.9 Ų | 55.9 | 71% | 0.711 | 33% | 0.325 | S | S | * | . | S | Bend | trans | 83 | -27.5 | -179.8 | 0 | 0 | 0 | 0 | 0 | 115.6 | ||
| 914 | K | 69.2 | Low | 82 | Confident | 168 Ų | 168 | 57.2 Ų | 57.2 | 73% | 0.73 | 33% | 0.332 | S | S | * | . | S | Bend | trans | -126.4 | 116.7 | 165.2 | -72.3 | -176.7 | 179.5 | -179.8 | 0 | 108.6 | T912 | T912-K914 VanDerWaalsContact C-N 3.26Å; T912-K914 PolarHBondContact O-N 2.77Å; T912-K914 PolarHBondContact OG1-O 2.96Å |
| 915 | C | 73.5 | Confident | 82 | Confident | 26 Ų | 26 | 54.9 Ų | 54.9 | 18% | 0.176 | 32% | 0.32 | C | S | . | . | trans | -151.4 | 157.5 | 177.1 | 93.6 | 0 | 0 | 0 | 0 | 111.3 | N32 C910 | N32-C915 WeakPolarHBondContact ND2-CB 3.46Å; C910-C915 WeakPolarHBondContact CA-SG 3.39Å; C910-C915 HydrophobicContact CB-CB 3.81Å; C910-C915 WeakPolarHBondContact CB-SG 3.48Å; C910-C915 WeakPolarHBondContact SG-CB 3.5Å; C910-C915 CovalentContact SG-SG 2.03Å; C910-C915 PolarHBondContact SG-SG 3.34Å | ||
| 916 | H | 75.7 | Confident | 82.2 | Confident | 69 Ų | 69 | 49.1 Ų | 49.1 | 32% | 0.319 | 30% | 0.298 | S | S | . | . | P | Polyproline II helix | trans | -86.3 | 130.5 | 165.1 | -68.7 | -74 | 0 | 0 | 0 | 108.5 | E920 F923 | H916-E920 IonicContact CE1-OE2 3.36Å; H916-E920 IonicContact CG-OE2 3.62Å; H916-E920 IonicContact ND1-OE2 2.81Å; H916-E920 PolarHBondContact ND1-OE2 3.26Å; H916-F923 HydrophobicContact CB-CD2 3.5Å; H916-F923 HydrophobicContact CB-CE2 3.48Å; H916-F923 VanDerWaalsContact CB-CE2 3.48Å; H916-F923 HydrophobicContact CB-CG 4.19Å; H916-F923 HydrophobicContact CB-CZ 4.13Å |
| 917 | V | 81.8 | Confident | 82.3 | Confident | 37 Ų | 37 | 49 Ų | 49 | 22% | 0.224 | 30% | 0.298 | C | S | . | . | P | Polyproline II helix | trans | -93.1 | 152.1 | 175.5 | -62.8 | 0 | 0 | 0 | 0 | 111.4 | G919 E920 | V917-G919 PolarHBondContact O-N 2.98Å; V917-E920 HydrophobicContact CG2-CG 3.9Å; V917-E920 PolarHBondContact N-OE1 2.89Å; V917-E920 PolarHBondContact O-N 2.83Å |
| 918 | C | 85.4 | Confident | 82.5 | Confident | 11 Ų | 11 | 49 Ų | 49 | 7% | 0.074 | 30% | 0.298 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -59.8 | 121.6 | 174.2 | -65.4 | 0 | 0 | 0 | 0 | 110.8 | T907 C925 N938 | T907-C918 WeakPolarHBondContact CB-SG 3.05Å; T907-C918 HydrophobicContact CG2-CB 4.48Å; C918-C925 HydrophobicContact CB-CB 3.59Å; C918-C925 WeakPolarHBondContact CB-SG 3.46Å; C918-C925 WeakPolarHBondContact SG-CB 3.08Å; C918-C925 CovalentContact SG-SG 2.02Å; C918-C925 PolarHBondContact SG-SG 3.02Å; C918-N938 HydrophobicContact CB-CB 4.12Å |
| 919 | G | 81.5 | Confident | 82.7 | Confident | 50 Ų | 50 | 45.2 Ų | 45.2 | 52% | 0.515 | 28% | 0.277 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 111.4 | -8.5 | 179.7 | 0 | 0 | 0 | 0 | 0 | 113.4 | V917 F923 N938 | V917-G919 PolarHBondContact O-N 2.98Å; G919-F923 PolarHBondContact N-O 3.18Å; G919-N938 WeakPolarHBondContact CA-ND2 3.37Å; G919-N938 PolarHBondContact N-ND2 3.39Å |
| 920 | E | 82.9 | Confident | 83 | Confident | 65 Ų | 65 | 42.9 Ų | 42.9 | 30% | 0.304 | 26% | 0.263 | S | S | . | . | S | Bend | trans | -59.8 | 147.3 | 165 | -74.8 | -179.5 | -163.1 | 0 | 0 | 110.5 | H916 V917 G922 F923 | H916-E920 IonicContact CE1-OE2 3.36Å; H916-E920 IonicContact CG-OE2 3.62Å; H916-E920 IonicContact ND1-OE2 2.81Å; H916-E920 PolarHBondContact ND1-OE2 3.26Å; V917-E920 HydrophobicContact CG2-CG 3.9Å; V917-E920 PolarHBondContact N-OE1 2.89Å; V917-E920 PolarHBondContact O-N 2.83Å; E920-G922 PolarHBondContact O-N 3.14Å; E920-F923 HydrophobicContact CB-CB 4.15Å; E920-F923 PolarHBondContact O-N 3.44Å |
| 921 | P | 79.1 | Confident | 83.3 | Confident | 141 Ų | 141 | 40.6 Ų | 40.6 | 92% | 0.916 | 25% | 0.247 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -52.7 | 114.6 | 180 | -26.8 | 34.5 | 0 | 0 | 0 | 112.4 | ||
| 922 | G | 78.7 | Confident | 84 | Confident | 24 Ų | 24 | 36.3 Ų | 36.3 | 25% | 0.247 | 23% | 0.228 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 88.2 | 4.4 | -178.3 | 0 | 0 | 0 | 0 | 0 | 115.3 | E920 V1362 A1363 | E920-G922 PolarHBondContact O-N 3.14Å; G922-V1362 CarbonylContact O-C 3.38Å; G922-V1362 VanDerWaalsContact O-CA 3.27Å; G922-V1362 WeakPolarHBondContact O-CA 2.84Å; G922-A1363 PolarHBondContact O-N 2.93Å |
| 923 | F | 86 | Confident | 84.9 | Confident | 5 Ų | 5 | 34.3 Ų | 34.3 | 2% | 0.022 | 22% | 0.216 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.6 | 86.9 | 177.4 | -157.3 | -76.7 | 0 | 0 | 0 | 110.4 | I29 W36 H916 G919 E920 C925 N938 I1360 V1362 | I29-F923 HydrophobicContact CD1-CE2 4.15Å; I29-F923 HydrophobicContact CG1-CE2 4.21Å; I29-F923 HydrophobicContact CG2-CE2 4.26Å; I29-F923 HydrophobicContact CG2-CZ 4.25Å; W36-F923 HydrophobicContact CH2-CE1 4.23Å; W36-F923 HydrophobicContact CH2-CZ 4.4Å; W36-F923 HydrophobicContact CZ3-CE1 4.2Å; W36-F923 HydrophobicContact CZ3-CZ 4.45Å; H916-F923 HydrophobicContact CB-CD2 3.5Å; H916-F923 HydrophobicContact CB-CE2 3.48Å; H916-F923 VanDerWaalsContact CB-CE2 3.48Å; H916-F923 HydrophobicContact CB-CG 4.19Å; H916-F923 HydrophobicContact CB-CZ 4.13Å; G919-F923 PolarHBondContact N-O 3.18Å; E920-F923 HydrophobicContact CB-CB 4.15Å; E920-F923 PolarHBondContact O-N 3.44Å; F923-C925 VanDerWaalsContact CE1-SG 3.57Å; F923-N938 PolarHBondContact O-ND2 2.78Å; F923-I1360 HydrophobicContact CD1-CG2 4.07Å; F923-I1360 HydrophobicContact CE1-CD1 4.39Å; F923-I1360 HydrophobicContact CE1-CG2 3.51Å; F923-I1360 HydrophobicContact CE2-CG2 4.26Å; F923-I1360 HydrophobicContact CZ-CD1 4.37Å; F923-I1360 HydrophobicContact CZ-CG2 3.62Å; F923-V1362 HydrophobicContact CD2-CB 4.16Å; F923-V1362 HydrophobicContact CD2-CG1 3.69Å; F923-V1362 HydrophobicContact CD2-CG2 3.48Å; F923-V1362 VanDerWaalsContact CD2-CG2 3.48Å; F923-V1362 HydrophobicContact CE2-CB 4.37Å; F923-V1362 HydrophobicContact CE2-CG1 4.08Å; F923-V1362 HydrophobicContact CE2-CG2 3.35Å; F923-V1362 HydrophobicContact CG-CG2 4.18Å; F923-V1362 HydrophobicContact CZ-CG2 4Å |
| 924 | D | 89.9 | Confident | 86 | Confident | 30 Ų | 30 | 31 Ų | 31 | 16% | 0.16 | 18% | 0.182 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -98.4 | 136.4 | -175.3 | -49.8 | -40.1 | 0 | 0 | 0 | 110.3 | Y926 V939 R1344 I1360 N1361 | D924-Y926 HydrophobicContact CB-CE2 3.74Å; D924-Y926 WeakPolarHBondContact CB-OH 3.49Å; D924-V939 HydrophobicContact CB-CG2 4.11Å; D924-R1344 IonicContact OD2-CZ 3.23Å; D924-R1344 IonicContact OD2-NH2 3.05Å; D924-R1344 PolarHBondContact OD2-NH2 2.91Å; D924-I1360 CarbonylContact O-C 3.52Å; D924-I1360 WeakPolarHBondContact O-CA 3.07Å; D924-N1361 PolarHBondContact N-O 2.97Å; D924-N1361 PolarHBondContact O-N 2.81Å |
| 925 | C | 93.3 | Very high | 87.1 | Confident | 0 Ų | 0 | 23 Ų | 23 | 0% | 0 | 15% | 0.147 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -135.2 | 134.4 | -174.4 | -58.7 | 0 | 0 | 0 | 0 | 111.8 | F903 C918 F923 N938 L1359 | F903-C925 HydrophobicContact CZ-CB 3.86Å; C918-C925 HydrophobicContact CB-CB 3.59Å; C918-C925 WeakPolarHBondContact CB-SG 3.46Å; C918-C925 WeakPolarHBondContact SG-CB 3.08Å; C918-C925 CovalentContact SG-SG 2.02Å; C918-C925 PolarHBondContact SG-SG 3.02Å; F923-C925 VanDerWaalsContact CE1-SG 3.57Å; C925-N938 WeakPolarHBondContact CA-OD1 3.43Å; C925-N938 PolarHBondContact N-OD1 3.46Å; C925-N938 PolarHBondContact O-N 3.05Å; C925-N938 PolarHBondContact O-OD1 3.27Å; C925-L1359 CarbonylContact C-O 3.39Å; C925-L1359 WeakPolarHBondContact CA-O 3.27Å |
| 926 | Y | 95 | Very high | 88.1 | Confident | 4 Ų | 4 | 21.8 Ų | 21.8 | 2% | 0.016 | 14% | 0.139 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -133.9 | 140.4 | -175.4 | -50.4 | -86 | 0 | 0 | 0 | 110.6 | D924 I934 A936 V939 E943 L948 L1359 | D924-Y926 HydrophobicContact CB-CE2 3.74Å; D924-Y926 WeakPolarHBondContact CB-OH 3.49Å; Y926-I934 HydrophobicContact CD1-CD1 4.06Å; Y926-I934 HydrophobicContact CD1-CG1 4.39Å; Y926-I934 HydrophobicContact CD1-CG2 4.33Å; Y926-I934 HydrophobicContact CE1-CD1 4.31Å; Y926-A936 WeakPolarHBondContact CA-O 3.2Å; Y926-V939 HydrophobicContact CE1-CG2 4.47Å; Y926-E943 WeakPolarHBondContact CE1-OE2 3.27Å; Y926-L948 HydrophobicContact CD2-CD1 4.48Å; Y926-L1359 HydrophobicContact CD2-CD2 4.23Å; Y926-L1359 HydrophobicContact CD2-CG 4.4Å; Y926-L1359 PolarHBondContact N-O 3.47Å; Y926-L1359 PolarHBondContact O-N 3.44Å |
| 927 | I | 96.2 | Very high | 89 | Confident | 0 Ų | 0 | 18.6 Ų | 18.6 | 0% | 0 | 12% | 0.124 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -95.7 | 117.7 | 155.9 | -61.9 | -178 | 0 | 0 | 0 | 106.5 | L40 F44 F903 L935 A936 L1356 F1357 L1358 | L40-I927 HydrophobicContact CD1-CD1 4.5Å; L40-I927 HydrophobicContact CD2-CD1 4.21Å; F44-I927 HydrophobicContact CZ-CD1 4.35Å; F903-I927 HydrophobicContact CB-CD1 3.97Å; F903-I927 HydrophobicContact CD2-CD1 3.48Å; F903-I927 VanDerWaalsContact CD2-CD1 3.48Å; F903-I927 HydrophobicContact CD2-CG1 3.61Å; F903-I927 HydrophobicContact CE2-CD1 4.16Å; F903-I927 HydrophobicContact CE2-CG1 3.74Å; F903-I927 HydrophobicContact CG-CD1 3.88Å; F903-I927 HydrophobicContact CG-CG1 4.25Å; F903-I927 HydrophobicContact CZ-CG1 4.49Å; I927-L935 HydrophobicContact CG2-CB 4.26Å; I927-L935 HydrophobicContact CG2-CD2 4.25Å; I927-L935 PolarHBondContact O-N 3.15Å; I927-A936 HydrophobicContact CB-CB 4.13Å; I927-A936 HydrophobicContact CD1-CB 4.33Å; I927-A936 HydrophobicContact CG1-CB 4.36Å; I927-A936 PolarHBondContact N-O 3.32Å; I927-A936 PolarHBondContact O-N 3.45Å; I927-L1356 HydrophobicContact CG2-CB 4.05Å; I927-L1356 HydrophobicContact CG2-CD1 3.91Å; I927-L1356 HydrophobicContact CG2-CD2 4.09Å; I927-L1356 HydrophobicContact CG2-CG 4.25Å; I927-F1357 WeakPolarHBondContact CA-O 3.49Å; I927-L1358 HydrophobicContact CG1-CD1 4.28Å |
| 928 | I | 94.2 | Very high | 89.4 | Confident | 0 Ų | 0 | 18.3 Ų | 18.3 | 0% | 0 | 12% | 0.122 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.2 | 152.8 | 176.4 | 66.2 | 178.8 | 0 | 0 | 0 | 110.7 | M933 I934 L948 I1348 L1356 F1357 L1359 | I928-M933 CarbonylContact C-O 3.54Å; I928-M933 WeakPolarHBondContact CA-O 3.15Å; I928-M933 WeakPolarHBondContact CB-O 3.33Å; I928-I934 HydrophobicContact CG2-CG1 4.14Å; I928-L948 HydrophobicContact CD1-CD2 4.24Å; I928-I1348 HydrophobicContact CD1-CD1 4.05Å; I928-L1356 CarbonylContact O-C 3.6Å; I928-L1356 VanDerWaalsContact O-CA 3.32Å; I928-L1356 WeakPolarHBondContact O-CA 3.41Å; I928-F1357 HydrophobicContact CD1-CB 4.48Å; I928-F1357 HydrophobicContact CG1-CB 3.89Å; I928-F1357 PolarHBondContact N-O 3.05Å; I928-F1357 PolarHBondContact O-N 3.48Å; I928-L1359 HydrophobicContact CD1-CB 4.46Å; I928-L1359 HydrophobicContact CD1-CD2 4.23Å |
| 929 | N | 92.4 | Very high | 89.2 | Confident | 6 Ų | 6 | 21.5 Ų | 21.5 | 3% | 0.032 | 14% | 0.141 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -83 | -179.4 | 169.8 | 72.9 | 1.3 | 0 | 0 | 0 | 111.4 | T854 A931 A932 M933 N1355 L1356 | T854-N929 PolarHBondContact OG1-ND2 3.23Å; N929-A931 PolarHBondContact O-N 3.48Å; N929-A931 VanDerWaalsContact O-N 3.15Å; N929-A931 WeakPolarHBondContact OD1-CA 3.5Å; N929-A931 WeakPolarHBondContact OD1-CB 3.31Å; N929-A931 PolarHBondContact OD1-N 3.05Å; N929-A932 PolarHBondContact O-N 3.17Å; N929-A932 PolarHBondContact OD1-N 3.48Å; N929-M933 PolarHBondContact N-O 3.02Å; N929-M933 WeakPolarHBondContact OD1-CB 3.16Å; N929-M933 PolarHBondContact OD1-N 3.24Å; N929-N1355 CarbonylContact C-O 3.57Å; N929-N1355 WeakPolarHBondContact CA-O 3.45Å; N929-L1356 HydrophobicContact CB-CD2 4.16Å |
| 930 | Q | 90.6 | Very high | 89.1 | Confident | 4 Ų | 4 | 20.5 Ų | 20.5 | 2% | 0.019 | 13% | 0.13 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -61.6 | -19.7 | 177.6 | 77.9 | -74.1 | -1.1 | 0 | 0 | 113.9 | T840 N1302 V1303 N1355 F1357 | T840-Q930 PolarHBondContact OG1-NE2 3.49Å; Q930-N1302 WeakPolarHBondContact O-CA 3.33Å; Q930-V1303 PolarHBondContact O-N 2.75Å; Q930-N1355 PolarHBondContact N-O 2.83Å; Q930-N1355 PolarHBondContact OE1-ND2 2.88Å; Q930-N1355 PolarHBondContact OE1-O 3.33Å; Q930-F1357 HydrophobicContact CB-CE2 4.14Å |
| 931 | A | 89.1 | Confident | 89.1 | Confident | 3 Ų | 3 | 22.1 Ų | 22.1 | 3% | 0.025 | 14% | 0.138 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -93.5 | 10.3 | 178 | 0 | 0 | 0 | 0 | 0 | 113.5 | T639 N929 M933 Y1301 | T639-A931 HydrophobicContact CG2-CB 4.23Å; N929-A931 PolarHBondContact O-N 3.48Å; N929-A931 VanDerWaalsContact O-N 3.15Å; N929-A931 WeakPolarHBondContact OD1-CA 3.5Å; N929-A931 WeakPolarHBondContact OD1-CB 3.31Å; N929-A931 PolarHBondContact OD1-N 3.05Å; A931-M933 HydrophobicContact CB-CG 4.45Å; A931-M933 PolarHBondContact O-N 3.46Å; A931-Y1301 VanDerWaalsContact CA-O 3.24Å; A931-Y1301 WeakPolarHBondContact CA-O 3.29Å |
| 932 | A | 90.2 | Very high | 89.1 | Confident | 0 Ų | 0 | 21.8 Ų | 21.8 | 0% | 0 | 12% | 0.122 | C | C | . | . | trans | 58.4 | 26.7 | -175.2 | 0 | 0 | 0 | 0 | 0 | 114.7 | N929 L948 L965 Y1301 | N929-A932 PolarHBondContact O-N 3.17Å; N929-A932 PolarHBondContact OD1-N 3.48Å; A932-L948 HydrophobicContact CB-CB 4.28Å; A932-L948 VanDerWaalsContact O-CB 3.31Å; A932-L948 WeakPolarHBondContact O-CB 3.48Å; A932-L948 PolarHBondContact O-N 3.02Å; A932-L965 HydrophobicContact CB-CD1 4.13Å; A932-L965 HydrophobicContact CB-CD2 4.2Å; A932-Y1301 HydrophobicContact CB-CD2 4.49Å; A932-Y1301 HydrophobicContact CB-CG 4.42Å | ||
| 933 | M | 89.5 | Confident | 89.4 | Confident | 9 Ų | 9 | 22 Ų | 22 | 4% | 0.044 | 12% | 0.117 | C | C | . | . | B | Isolated β-bridge | trans | -84.8 | 140.4 | 167.6 | -58.3 | -174.7 | 77.9 | 0 | 0 | 110.8 | H638 T854 I928 N929 A931 L935 G945 | H638-M933 HydrophobicContact CB-CE 4.02Å; H638-M933 HydrophobicContact CB-SD 3.56Å; H638-M933 VanDerWaalsContact CB-SD 3.56Å; T854-M933 HydrophobicContact CG2-CB 4.18Å; T854-M933 HydrophobicContact CG2-CE 4.39Å; I928-M933 CarbonylContact C-O 3.54Å; I928-M933 WeakPolarHBondContact CA-O 3.15Å; I928-M933 WeakPolarHBondContact CB-O 3.33Å; N929-M933 PolarHBondContact N-O 3.02Å; N929-M933 WeakPolarHBondContact OD1-CB 3.16Å; N929-M933 PolarHBondContact OD1-N 3.24Å; A931-M933 HydrophobicContact CB-CG 4.45Å; A931-M933 PolarHBondContact O-N 3.46Å; M933-L935 PolarHBondContact O-N 3.3Å; M933-G945 WeakPolarHBondContact CE-O 3.31Å |
| 934 | I | 91.3 | Very high | 89.4 | Confident | 0 Ų | 0 | 21.8 Ų | 21.8 | 0% | 0 | 12% | 0.116 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -80.4 | 117 | -178.7 | -60.9 | 170.5 | 0 | 0 | 0 | 109.9 | T854 Y926 I928 E943 G945 Q946 L948 I951 | T854-I934 WeakPolarHBondContact CG2-O 3.18Å; Y926-I934 HydrophobicContact CD1-CD1 4.06Å; Y926-I934 HydrophobicContact CD1-CG1 4.39Å; Y926-I934 HydrophobicContact CD1-CG2 4.33Å; Y926-I934 HydrophobicContact CE1-CD1 4.31Å; I928-I934 HydrophobicContact CG2-CG1 4.14Å; I934-E943 HydrophobicContact CD1-CB 4.24Å; I934-G945 PolarHBondContact O-N 3.36Å; I934-Q946 PolarHBondContact N-O 3.06Å; I934-L948 HydrophobicContact CD1-CD1 4.4Å; I934-I951 HydrophobicContact CD1-CB 4.32Å; I934-I951 HydrophobicContact CD1-CG1 3.49Å; I934-I951 VanDerWaalsContact CD1-CG1 3.49Å |
| 935 | L | 93.6 | Very high | 89 | Confident | 0 Ų | 0 | 20.5 Ų | 20.5 | 0% | 0 | 11% | 0.109 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -90.2 | -35.4 | 172.5 | 178.5 | 64.2 | 0 | 0 | 0 | 112.1 | F852 V872 H896 I899 I927 M933 V944 L1356 | F852-L935 HydrophobicContact CB-CD2 4.02Å; F852-L935 HydrophobicContact CD1-CD2 4.14Å; F852-L935 HydrophobicContact CG-CD2 4.29Å; V872-L935 HydrophobicContact CG1-CD1 4.18Å; H896-L935 PolarHBondContact CD2-O 3.29Å; H896-L935 VanDerWaalsContact CD2-O 3.32Å; H896-L935 PolarHBondContact NE2-O 3.28Å; I899-L935 HydrophobicContact CD1-CD1 4.41Å; I899-L935 HydrophobicContact CD1-CD2 4.44Å; I899-L935 HydrophobicContact CG2-CD2 4.41Å; I927-L935 HydrophobicContact CG2-CB 4.26Å; I927-L935 HydrophobicContact CG2-CD2 4.25Å; I927-L935 PolarHBondContact O-N 3.15Å; M933-L935 PolarHBondContact O-N 3.3Å; L935-V944 WeakPolarHBondContact O-CG1 3.49Å; L935-L1356 HydrophobicContact CD2-CD1 3.77Å; L935-L1356 HydrophobicContact CD2-CD2 3.7Å; L935-L1356 HydrophobicContact CD2-CG 4.39Å |
| 936 | A | 94.6 | Very high | 88.4 | Confident | 0 Ų | 0 | 21.9 Ų | 21.9 | 0% | 0 | 12% | 0.116 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -146.9 | 141.4 | 175.7 | 0 | 0 | 0 | 0 | 0 | 109.9 | F903 Y926 I927 | F903-A936 HydrophobicContact CD1-CB 3.96Å; F903-A936 HydrophobicContact CE1-CB 4.41Å; F903-A936 HydrophobicContact CG-CB 4.28Å; Y926-A936 WeakPolarHBondContact CA-O 3.2Å; I927-A936 HydrophobicContact CB-CB 4.13Å; I927-A936 HydrophobicContact CD1-CB 4.33Å; I927-A936 HydrophobicContact CG1-CB 4.36Å; I927-A936 PolarHBondContact N-O 3.32Å; I927-A936 PolarHBondContact O-N 3.45Å |
| 937 | S | 93.1 | Very high | 87.7 | Confident | 2 Ų | 2 | 22.5 Ų | 22.5 | 1% | 0.014 | 12% | 0.121 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -134 | 142.6 | 178.1 | 173.9 | 0 | 0 | 0 | 0 | 109.8 | Q900 V939 E943 | Q900-S937 PolarHBondContact NE2-O 2.95Å; Q900-S937 PolarHBondContact OE1-O 3.44Å; S937-V939 PolarHBondContact OG-N 3.31Å; S937-E943 WeakPolarHBondContact CB-OE2 3.43Å; S937-E943 PolarHBondContact OG-OE2 2.83Å |
| 938 | N | 90.2 | Very high | 87.1 | Confident | 31 Ų | 31 | 22.5 Ų | 22.5 | 17% | 0.166 | 12% | 0.121 | C | C | . | . | S | Bend | trans | -83.1 | -19.5 | 170.3 | 69.7 | -52.6 | 0 | 0 | 0 | 112.5 | F903 C918 G919 F923 C925 | F903-N938 HydrophobicContact CE1-CB 4.27Å; C918-N938 HydrophobicContact CB-CB 4.12Å; G919-N938 WeakPolarHBondContact CA-ND2 3.37Å; G919-N938 PolarHBondContact N-ND2 3.39Å; F923-N938 PolarHBondContact O-ND2 2.78Å; C925-N938 WeakPolarHBondContact CA-OD1 3.43Å; C925-N938 PolarHBondContact N-OD1 3.46Å; C925-N938 PolarHBondContact O-N 3.05Å; C925-N938 PolarHBondContact O-OD1 3.27Å |
| 939 | V | 81.5 | Confident | 86.2 | Confident | 78 Ų | 78 | 24 Ų | 24 | 47% | 0.473 | 13% | 0.127 | S | C | . | . | S | Bend | trans | -75.5 | -36.5 | -177.5 | -176.8 | 0 | 0 | 0 | 0 | 110.5 | D924 Y926 S937 E943 | D924-V939 HydrophobicContact CB-CG2 4.11Å; Y926-V939 HydrophobicContact CE1-CG2 4.47Å; S937-V939 PolarHBondContact OG-N 3.31Å; V939-E943 WeakPolarHBondContact CB-OE2 3.42Å |
| 940 | G | 80.5 | Confident | 85.2 | Confident | 29 Ų | 29 | 29.5 Ų | 29.5 | 30% | 0.299 | 15% | 0.152 | S | C | . | . | trans | 164.3 | 163.3 | 169.7 | 0 | 0 | 0 | 0 | 0 | 114.7 | K942 E943 | G940-K942 PolarHBondContact O-N 2.99Å; G940-E943 PolarHBondContact O-N 3.45Å | ||
| 941 | E | 81.9 | Confident | 84.5 | Confident | 99 Ų | 99 | 31.3 Ų | 31.3 | 46% | 0.463 | 16% | 0.162 | S | C | . | . | G | 310 helix | trans | -64.9 | -22.1 | -179.5 | -65.8 | -175 | 164.9 | 0 | 0 | 113.2 | F860 E943 V944 | F860-E941 HydrophobicContact CE1-CB 3.86Å; F860-E941 WeakPolarHBondContact CE1-O 3.44Å; F860-E941 HydrophobicContact CZ-CB 3.92Å; F860-E941 HydrophobicContact CZ-CG 4.39Å; E941-E943 PolarHBondContact O-N 3.19Å; E941-V944 PolarHBondContact O-N 3.03Å |
| 942 | K | 79.5 | Confident | 83.9 | Confident | 134 Ų | 134 | 32.4 Ų | 32.4 | 58% | 0.583 | 17% | 0.167 | S | C | * | . | G | 310 helix | trans | -63.3 | -20 | 179 | -70 | -175.9 | 178.6 | -179.9 | 0 | 113.8 | R861 G940 E1149 | R861-K942 PolarHBondContact NH2-O 3.43Å; G940-K942 PolarHBondContact O-N 2.99Å; K942-E1149 IonicContact NZ-OE2 3.31Å; K942-E1149 PolarHBondContact NZ-OE2 2.84Å |
| 943 | E | 84 | Confident | 83 | Confident | 29 Ų | 29 | 33.7 Ų | 33.7 | 14% | 0.136 | 18% | 0.176 | C | C | . | . | G | 310 helix | trans | -91.5 | -14.2 | -179.9 | -56.5 | -177.3 | 155.5 | 0 | 0 | 112.9 | Y926 I934 S937 V939 G940 E941 Q946 I951 | Y926-E943 WeakPolarHBondContact CE1-OE2 3.27Å; I934-E943 HydrophobicContact CD1-CB 4.24Å; S937-E943 WeakPolarHBondContact CB-OE2 3.43Å; S937-E943 PolarHBondContact OG-OE2 2.83Å; V939-E943 WeakPolarHBondContact CB-OE2 3.42Å; G940-E943 PolarHBondContact O-N 3.45Å; E941-E943 PolarHBondContact O-N 3.19Å; E943-Q946 WeakPolarHBondContact O-CB 3.42Å; E943-Q946 PolarHBondContact O-N 2.86Å; E943-I951 HydrophobicContact CB-CD1 3.86Å; E943-I951 HydrophobicContact CB-CG1 4.2Å; E943-I951 HydrophobicContact CG-CD1 3.66Å; E943-I951 HydrophobicContact CG-CG1 4.27Å |
| 944 | V | 86.8 | Confident | 82.2 | Confident | 0 Ų | 0 | 35 Ų | 35 | 0% | 0 | 19% | 0.188 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -69.6 | 136.9 | -179.1 | 179.9 | 0 | 0 | 0 | 0 | 109.9 | F860 L935 E941 Q946 | F860-V944 HydrophobicContact CD1-CB 4.42Å; F860-V944 HydrophobicContact CD2-CB 4Å; F860-V944 HydrophobicContact CD2-CG1 3.55Å; F860-V944 HydrophobicContact CE1-CB 4.14Å; F860-V944 HydrophobicContact CE2-CB 3.68Å; F860-V944 HydrophobicContact CE2-CG1 3.39Å; F860-V944 HydrophobicContact CE2-CG2 4.31Å; F860-V944 HydrophobicContact CG-CB 4.38Å; F860-V944 HydrophobicContact CG-CG1 4.3Å; F860-V944 HydrophobicContact CZ-CB 3.76Å; F860-V944 HydrophobicContact CZ-CG1 4.03Å; F860-V944 HydrophobicContact CZ-CG2 4.16Å; L935-V944 WeakPolarHBondContact O-CG1 3.49Å; E941-V944 PolarHBondContact O-N 3.03Å; V944-Q946 PolarHBondContact O-N 3.29Å |
| 945 | G | 81.6 | Confident | 81.7 | Confident | 2 Ų | 2 | 35 Ų | 35 | 2% | 0.021 | 19% | 0.188 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 82.2 | -6.1 | -174.1 | 0 | 0 | 0 | 0 | 0 | 114.3 | P855 M933 I934 | P855-G945 WeakPolarHBondContact O-CA 3.29Å; M933-G945 WeakPolarHBondContact CE-O 3.31Å; I934-G945 PolarHBondContact O-N 3.36Å |
| 946 | Q | 80.9 | Confident | 81.2 | Confident | 30 Ų | 30 | 35 Ų | 35 | 14% | 0.14 | 19% | 0.188 | C | C | . | . | S | Bend | trans | -89.7 | 157.7 | 176.5 | -58.4 | -165.9 | -32.5 | 0 | 0 | 112 | I934 E943 V944 E950 I951 | I934-Q946 PolarHBondContact N-O 3.06Å; E943-Q946 WeakPolarHBondContact O-CB 3.42Å; E943-Q946 PolarHBondContact O-N 2.86Å; V944-Q946 PolarHBondContact O-N 3.29Å; Q946-E950 WeakPolarHBondContact CB-OE2 3.45Å; Q946-I951 HydrophobicContact CB-CD1 4.4Å |
| 947 | S | 80.7 | Confident | 80.4 | Confident | 17 Ų | 17 | 39.3 Ų | 39.3 | 12% | 0.119 | 21% | 0.208 | C | C | . | . | B | Isolated β-bridge | trans | -72.3 | 140.4 | 170.7 | 174.8 | 0 | 0 | 0 | 0 | 110.3 | K949 E950 | S947-K949 PolarHBondContact O-N 2.62Å; S947-K949 PolarHBondContact OG-N 3.35Å; S947-E950 WeakPolarHBondContact O-CB 3.22Å; S947-E950 PolarHBondContact O-N 2.9Å |
| 948 | L | 83.2 | Confident | 80 | Confident | 0 Ų | 0 | 39.7 Ų | 39.7 | 0% | 0 | 21% | 0.21 | C | C | . | . | H | α-helix | trans | -55.2 | -28.1 | 174.6 | -174.3 | 66.1 | 0 | 0 | 0 | 112.2 | Y926 I928 A932 I934 I951 N952 L955 V956 L959 L1359 | Y926-L948 HydrophobicContact CD2-CD1 4.48Å; I928-L948 HydrophobicContact CD1-CD2 4.24Å; A932-L948 HydrophobicContact CB-CB 4.28Å; A932-L948 VanDerWaalsContact O-CB 3.31Å; A932-L948 WeakPolarHBondContact O-CB 3.48Å; A932-L948 PolarHBondContact O-N 3.02Å; I934-L948 HydrophobicContact CD1-CD1 4.4Å; L948-I951 PolarHBondContact O-N 3.11Å; L948-N952 PolarHBondContact O-N 3.1Å; L948-L955 HydrophobicContact CD1-CD2 4.4Å; L948-L955 HydrophobicContact CD2-CD2 4.48Å; L948-V956 HydrophobicContact CB-CG2 3.97Å; L948-V956 HydrophobicContact CD2-CG2 3.89Å; L948-V956 HydrophobicContact CG-CG2 3.7Å; L948-L959 HydrophobicContact CD2-CD1 4Å; L948-L1359 HydrophobicContact CD1-CD2 3.88Å; L948-L1359 HydrophobicContact CD2-CD2 3.38Å; L948-L1359 HydrophobicContact CG-CD2 4.28Å |
| 949 | K | 75.7 | Confident | 79.8 | Confident | 31 Ų | 31 | 38.2 Ų | 38.2 | 14% | 0.135 | 20% | 0.202 | C | C | . | . | H | α-helix | trans | -66.7 | -37.4 | 177.1 | -161.7 | -158.6 | -159.2 | 148.2 | 0 | 112.2 | S947 I951 C953 V956 E967 I1299 Y1301 | S947-K949 PolarHBondContact O-N 2.62Å; S947-K949 PolarHBondContact OG-N 3.35Å; K949-I951 VanDerWaalsContact C-N 3.27Å; K949-I951 PolarHBondContact O-N 3.38Å; K949-C953 HydrophobicContact CG-CB 4.43Å; K949-C953 PolarHBondContact O-N 2.86Å; K949-V956 HydrophobicContact CB-CB 4.43Å; K949-V956 HydrophobicContact CB-CG1 4.34Å; K949-V956 HydrophobicContact CB-CG2 4.16Å; K949-V956 HydrophobicContact CG-CB 4.38Å; K949-V956 HydrophobicContact CG-CG1 4.3Å; K949-E967 IonicContact NZ-OE1 3.52Å; K949-E967 PolarHBondContact NZ-OE1 3.06Å; K949-I1299 VanDerWaalsContact NZ-CD1 3.3Å; K949-Y1301 HydrophobicContact CB-CE2 3.89Å; K949-Y1301 HydrophobicContact CD-CE2 4.28Å; K949-Y1301 WeakPolarHBondContact CD-OH 3.46Å; K949-Y1301 WeakPolarHBondContact CE-OH 3.42Å; K949-Y1301 HydrophobicContact CG-CE2 4.42Å; K949-Y1301 PolarHBondContact NZ-OH 3.44Å |
| 950 | E | 70.7 | Confident | 79.9 | Confident | 121 Ų | 121 | 36.4 Ų | 36.4 | 57% | 0.565 | 19% | 0.191 | S | C | * | . | H | α-helix | trans | -65 | -35 | 179 | -66.9 | 170.1 | -165.2 | 0 | 0 | 111.2 | Q946 S947 | Q946-E950 WeakPolarHBondContact CB-OE2 3.45Å; S947-E950 WeakPolarHBondContact O-CB 3.22Å; S947-E950 PolarHBondContact O-N 2.9Å |
| 951 | I | 75.4 | Confident | 80 | Confident | 42 Ų | 42 | 42.1 Ų | 42.1 | 22% | 0.215 | 21% | 0.208 | C | C | . | . | H | α-helix | trans | -79.9 | -52.2 | 177.5 | -55 | -50.6 | 0 | 0 | 0 | 111.7 | I934 E943 Q946 L948 K949 | I934-I951 HydrophobicContact CD1-CB 4.32Å; I934-I951 HydrophobicContact CD1-CG1 3.49Å; I934-I951 VanDerWaalsContact CD1-CG1 3.49Å; E943-I951 HydrophobicContact CB-CD1 3.86Å; E943-I951 HydrophobicContact CB-CG1 4.2Å; E943-I951 HydrophobicContact CG-CD1 3.66Å; E943-I951 HydrophobicContact CG-CG1 4.27Å; Q946-I951 HydrophobicContact CB-CD1 4.4Å; L948-I951 PolarHBondContact O-N 3.11Å; K949-I951 VanDerWaalsContact C-N 3.27Å; K949-I951 PolarHBondContact O-N 3.38Å |
| 952 | N | 76.7 | Confident | 80.2 | Confident | 27 Ų | 27 | 40.8 Ų | 40.8 | 14% | 0.144 | 20% | 0.201 | C | C | . | . | trans | -142.6 | 78.3 | -172.4 | -160.2 | -33.8 | 0 | 0 | 0 | 112.4 | L948 A954 L955 V956 Y1337 N1361 | L948-N952 PolarHBondContact O-N 3.1Å; N952-A954 VanDerWaalsContact C-N 3.3Å; N952-A954 PolarHBondContact O-N 3.43Å; N952-L955 HydrophobicContact CB-CB 3.97Å; N952-L955 HydrophobicContact CB-CD2 4.43Å; N952-L955 WeakPolarHBondContact O-CB 3.39Å; N952-L955 PolarHBondContact O-N 2.82Å; N952-L955 VanDerWaalsContact O-N 3.16Å; N952-L955 WeakPolarHBondContact OD1-CB 3.38Å; N952-L955 PolarHBondContact OD1-N 2.84Å; N952-L955 VanDerWaalsContact OD1-N 3.13Å; N952-V956 PolarHBondContact O-N 3.03Å; N952-Y1337 PolarHBondContact ND2-OH 3.2Å; N952-Y1337 PolarHBondContact OD1-OH 3.31Å; N952-N1361 PolarHBondContact ND2-ND2 3.26Å | ||
| 953 | C | 71 | Confident | 80.5 | Confident | 26 Ų | 26 | 37.4 Ų | 37.4 | 18% | 0.176 | 20% | 0.195 | C | C | . | . | H | α-helix | trans | -53.8 | -42.1 | 178.9 | -167.7 | 0 | 0 | 0 | 0 | 113.5 | K949 L955 V956 E957 | K949-C953 HydrophobicContact CG-CB 4.43Å; K949-C953 PolarHBondContact O-N 2.86Å; C953-L955 VanDerWaalsContact C-N 3.33Å; C953-L955 PolarHBondContact O-N 2.85Å; C953-V956 PolarHBondContact O-N 3.41Å; C953-E957 WeakPolarHBondContact O-CG 3.48Å; C953-E957 PolarHBondContact O-N 2.89Å; C953-E957 PolarHBondContact SG-OE1 3.37Å; C953-E957 VanDerWaalsContact SG-OE1 3.32Å |
| 954 | A | 72.8 | Confident | 80.7 | Confident | 36 Ų | 36 | 36.1 Ų | 36.1 | 30% | 0.298 | 19% | 0.189 | S | C | . | . | H | α-helix | trans | -66.1 | -34.1 | -178.7 | 0 | 0 | 0 | 0 | 0 | 112.9 | N952 D958 Y1337 | N952-A954 VanDerWaalsContact C-N 3.3Å; N952-A954 PolarHBondContact O-N 3.43Å; A954-D958 PolarHBondContact O-N 3.45Å; A954-Y1337 HydrophobicContact CB-CD2 3.85Å; A954-Y1337 HydrophobicContact CB-CE2 3.59Å |
| 955 | L | 82.3 | Confident | 80.7 | Confident | 0 Ų | 0 | 36.2 Ų | 36.2 | 0% | 0 | 19% | 0.189 | C | C | . | . | H | α-helix | trans | -64.9 | -47.3 | 171.5 | 175.6 | 58.9 | 0 | 0 | 0 | 110.9 | L948 N952 C953 D958 L959 Y1337 W1346 L1359 N1361 | L948-L955 HydrophobicContact CD1-CD2 4.4Å; L948-L955 HydrophobicContact CD2-CD2 4.48Å; N952-L955 HydrophobicContact CB-CB 3.97Å; N952-L955 HydrophobicContact CB-CD2 4.43Å; N952-L955 WeakPolarHBondContact O-CB 3.39Å; N952-L955 PolarHBondContact O-N 2.82Å; N952-L955 VanDerWaalsContact O-N 3.16Å; N952-L955 WeakPolarHBondContact OD1-CB 3.38Å; N952-L955 PolarHBondContact OD1-N 2.84Å; N952-L955 VanDerWaalsContact OD1-N 3.13Å; C953-L955 VanDerWaalsContact C-N 3.33Å; C953-L955 PolarHBondContact O-N 2.85Å; L955-D958 PolarHBondContact O-N 3.35Å; L955-L959 HydrophobicContact CD1-CD1 4.43Å; L955-L959 HydrophobicContact CD1-CG 4.39Å; L955-L959 HydrophobicContact CG-CD1 4.24Å; L955-L959 WeakPolarHBondContact O-CG 3.3Å; L955-L959 PolarHBondContact O-N 3.45Å; L955-Y1337 HydrophobicContact CB-CE1 4.35Å; L955-Y1337 HydrophobicContact CD1-CE1 4Å; L955-W1346 HydrophobicContact CD1-CB 3.63Å; L955-W1346 HydrophobicContact CD1-CD2 4.23Å; L955-W1346 HydrophobicContact CD1-CG 3.43Å; L955-W1346 VanDerWaalsContact CD1-CG 3.43Å; L955-L1359 HydrophobicContact CD2-CD2 3.91Å; L955-N1361 HydrophobicContact CD2-CB 4.15Å |
| 956 | V | 81.4 | Confident | 80.9 | Confident | 1 Ų | 1 | 39 Ų | 39 | 1% | 0.006 | 20% | 0.204 | C | C | . | . | H | α-helix | trans | -63.5 | -43.5 | 179.6 | 175.3 | 0 | 0 | 0 | 0 | 111.8 | L948 K949 N952 C953 D958 L959 V960 L965 Y1301 | L948-V956 HydrophobicContact CB-CG2 3.97Å; L948-V956 HydrophobicContact CD2-CG2 3.89Å; L948-V956 HydrophobicContact CG-CG2 3.7Å; K949-V956 HydrophobicContact CB-CB 4.43Å; K949-V956 HydrophobicContact CB-CG1 4.34Å; K949-V956 HydrophobicContact CB-CG2 4.16Å; K949-V956 HydrophobicContact CG-CB 4.38Å; K949-V956 HydrophobicContact CG-CG1 4.3Å; N952-V956 PolarHBondContact O-N 3.03Å; C953-V956 PolarHBondContact O-N 3.41Å; V956-D958 VanDerWaalsContact C-N 3.27Å; V956-D958 PolarHBondContact O-N 2.75Å; V956-L959 WeakPolarHBondContact O-CB 3.47Å; V956-L959 PolarHBondContact O-N 2.9Å; V956-L959 VanDerWaalsContact O-N 3.15Å; V956-V960 HydrophobicContact CG1-CG2 4.29Å; V956-V960 WeakPolarHBondContact O-CG2 3.41Å; V956-V960 PolarHBondContact O-N 3.22Å; V956-L965 HydrophobicContact CG1-CD1 4.17Å; V956-Y1301 HydrophobicContact CG1-CD1 4.22Å; V956-Y1301 HydrophobicContact CG1-CE1 3.6Å; V956-Y1301 HydrophobicContact CG1-CE2 4.24Å |
| 957 | E | 79.2 | Confident | 81 | Confident | 91 Ų | 91 | 40.4 Ų | 40.4 | 43% | 0.425 | 21% | 0.21 | S | C | . | . | H | α-helix | trans | -57.2 | -41.4 | 174.9 | -76.2 | 173.8 | -163.8 | 0 | 0 | 111.9 | C953 V960 K961 | C953-E957 WeakPolarHBondContact O-CG 3.48Å; C953-E957 PolarHBondContact O-N 2.89Å; C953-E957 PolarHBondContact SG-OE1 3.37Å; C953-E957 VanDerWaalsContact SG-OE1 3.32Å; E957-V960 PolarHBondContact O-N 3.3Å; E957-K961 VanDerWaalsContact O-CB 3.25Å; E957-K961 WeakPolarHBondContact O-CB 3.45Å; E957-K961 PolarHBondContact O-N 3.4Å |
| 958 | D | 83.1 | Confident | 81 | Confident | 10 Ų | 10 | 40.6 Ų | 40.6 | 5% | 0.053 | 21% | 0.21 | C | C | . | . | H | α-helix | trans | -71.1 | -35.7 | 177.3 | -162.1 | 59.7 | 0 | 0 | 0 | 112.2 | A954 L955 V956 K961 H962 Y1337 W1346 | A954-D958 PolarHBondContact O-N 3.45Å; L955-D958 PolarHBondContact O-N 3.35Å; V956-D958 VanDerWaalsContact C-N 3.27Å; V956-D958 PolarHBondContact O-N 2.75Å; D958-K961 PolarHBondContact O-N 3.02Å; D958-K961 IonicContact OD1-NZ 2.84Å; D958-H962 PolarHBondContact O-N 3.5Å; D958-H962 PolarHBondContact O-ND1 3.44Å; D958-H962 IonicContact OD1-CE1 3.96Å; D958-H962 PolarHBondContact OD1-CE1 2.79Å; D958-H962 VanDerWaalsContact OD1-CE1 3.27Å; D958-H962 IonicContact OD1-ND1 2.69Å; D958-H962 PolarHBondContact OD1-ND1 2.89Å; D958-H962 IonicContact OD2-CE1 2.82Å; D958-H962 PolarHBondContact OD2-CE1 2.6Å; D958-H962 VanDerWaalsContact OD2-CE1 3.28Å; D958-H962 IonicContact OD2-ND1 2.95Å; D958-H962 PolarHBondContact OD2-ND1 2.9Å; D958-Y1337 HydrophobicContact CB-CG 4.39Å; D958-W1346 WeakPolarHBondContact OD2-CZ2 3.24Å; D958-W1346 PolarHBondContact OD2-NE1 3.21Å |
| 959 | L | 87.2 | Confident | 80.7 | Confident | 0 Ų | 0 | 43.7 Ų | 43.7 | 0% | 0 | 22% | 0.222 | C | C | . | . | H | α-helix | trans | -63.6 | -40.8 | 171.9 | -69.7 | 172.7 | 0 | 0 | 0 | 112.2 | L948 L955 V956 H962 S963 I964 L965 W1346 I1348 | L948-L959 HydrophobicContact CD2-CD1 4Å; L955-L959 HydrophobicContact CD1-CD1 4.43Å; L955-L959 HydrophobicContact CD1-CG 4.39Å; L955-L959 HydrophobicContact CG-CD1 4.24Å; L955-L959 WeakPolarHBondContact O-CG 3.3Å; L955-L959 PolarHBondContact O-N 3.45Å; V956-L959 WeakPolarHBondContact O-CB 3.47Å; V956-L959 PolarHBondContact O-N 2.9Å; V956-L959 VanDerWaalsContact O-N 3.15Å; L959-H962 PolarHBondContact O-N 3.23Å; L959-S963 PolarHBondContact O-N 3.01Å; L959-I964 HydrophobicContact CD2-CB 4.35Å; L959-I964 HydrophobicContact CD2-CD1 3.82Å; L959-I964 HydrophobicContact CD2-CG2 4.28Å; L959-I964 WeakPolarHBondContact O-CB 3.02Å; L959-I964 PolarHBondContact O-N 3.01Å; L959-L965 HydrophobicContact CB-CB 4.49Å; L959-L965 HydrophobicContact CB-CD1 3.9Å; L959-L965 HydrophobicContact CB-CG 4.07Å; L959-L965 HydrophobicContact CD1-CD1 3.79Å; L959-L965 HydrophobicContact CD1-CG 4.43Å; L959-L965 PolarHBondContact O-N 3.24Å; L959-W1346 HydrophobicContact CD2-CD2 3.84Å; L959-W1346 HydrophobicContact CD2-CE3 3.6Å; L959-W1346 HydrophobicContact CD2-CH2 3.73Å; L959-W1346 HydrophobicContact CD2-CZ2 3.85Å; L959-W1346 HydrophobicContact CD2-CZ3 3.56Å; L959-I1348 HydrophobicContact CD2-CG2 4.27Å |
| 960 | V | 83.6 | Confident | 80.8 | Confident | 39 Ų | 39 | 42.8 Ų | 42.8 | 24% | 0.236 | 22% | 0.218 | C | C | . | . | H | α-helix | trans | -65.5 | -45.8 | 175 | 171.7 | 0 | 0 | 0 | 0 | 110.3 | V956 E957 H962 S963 L965 E967 Y1301 | V956-V960 HydrophobicContact CG1-CG2 4.29Å; V956-V960 WeakPolarHBondContact O-CG2 3.41Å; V956-V960 PolarHBondContact O-N 3.22Å; E957-V960 PolarHBondContact O-N 3.3Å; V960-H962 VanDerWaalsContact C-N 3.27Å; V960-H962 PolarHBondContact O-N 3.06Å; V960-S963 WeakPolarHBondContact O-CA 3.48Å; V960-S963 PolarHBondContact O-N 3.28Å; V960-L965 WeakPolarHBondContact CA-O 3.35Å; V960-L965 HydrophobicContact CG2-CB 3.97Å; V960-E967 HydrophobicContact CG1-CB 4.31Å; V960-E967 HydrophobicContact CG2-CB 4.11Å; V960-Y1301 HydrophobicContact CG2-CD1 4.38Å; V960-Y1301 HydrophobicContact CG2-CE1 4.07Å |
| 961 | K | 82.6 | Confident | 81.2 | Confident | 149 Ų | 149 | 39 Ų | 39 | 65% | 0.648 | 20% | 0.199 | S | C | * | . | H | α-helix | trans | -58.6 | -36.5 | 176.7 | 178 | -174.7 | 166.2 | -156.9 | 0 | 112.9 | E957 D958 S963 | E957-K961 VanDerWaalsContact O-CB 3.25Å; E957-K961 WeakPolarHBondContact O-CB 3.45Å; E957-K961 PolarHBondContact O-N 3.4Å; D958-K961 PolarHBondContact O-N 3.02Å; D958-K961 IonicContact OD1-NZ 2.84Å; K961-S963 PolarHBondContact O-N 2.87Å |
| 962 | H | 85.8 | Confident | 81.4 | Confident | 71 Ų | 71 | 37.1 Ų | 37.1 | 33% | 0.329 | 19% | 0.19 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -82.7 | 4.6 | 175.4 | -71 | 90.8 | 0 | 0 | 0 | 113.8 | D958 L959 V960 I964 W1346 | D958-H962 PolarHBondContact O-N 3.5Å; D958-H962 PolarHBondContact O-ND1 3.44Å; D958-H962 IonicContact OD1-CE1 3.96Å; D958-H962 PolarHBondContact OD1-CE1 2.79Å; D958-H962 VanDerWaalsContact OD1-CE1 3.27Å; D958-H962 IonicContact OD1-ND1 2.69Å; D958-H962 PolarHBondContact OD1-ND1 2.89Å; D958-H962 IonicContact OD2-CE1 2.82Å; D958-H962 PolarHBondContact OD2-CE1 2.6Å; D958-H962 VanDerWaalsContact OD2-CE1 3.28Å; D958-H962 IonicContact OD2-ND1 2.95Å; D958-H962 PolarHBondContact OD2-ND1 2.9Å; L959-H962 PolarHBondContact O-N 3.23Å; V960-H962 VanDerWaalsContact C-N 3.27Å; V960-H962 PolarHBondContact O-N 3.06Å; H962-I964 VanDerWaalsContact C-N 3.3Å; H962-I964 HydrophobicContact CB-CD1 4.08Å; H962-I964 HydrophobicContact CB-CG1 4.32Å; H962-I964 PolarHBondContact O-N 3.45Å; H962-W1346 HydrophobicContact CB-CH2 4.38Å; H962-W1346 HydrophobicContact CB-CZ2 4.46Å; H962-W1346 AromaticContact ND1-CZ2 3.8Å |
| 963 | S | 86.2 | Confident | 81.7 | Confident | 63 Ų | 63 | 36.5 Ų | 36.5 | 44% | 0.441 | 19% | 0.186 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 56.6 | 42.1 | -177.8 | -47.7 | 0 | 0 | 0 | 0 | 112.8 | L959 V960 K961 I1304 | L959-S963 PolarHBondContact O-N 3.01Å; V960-S963 WeakPolarHBondContact O-CA 3.48Å; V960-S963 PolarHBondContact O-N 3.28Å; K961-S963 PolarHBondContact O-N 2.87Å; S963-I1304 WeakPolarHBondContact O-CD1 3.35Å |
| 964 | I | 87 | Confident | 82.3 | Confident | 3 Ų | 3 | 35.9 Ų | 35.9 | 2% | 0.015 | 18% | 0.18 | C | C | . | . | S | Bend | trans | -94.9 | -43.2 | 171.6 | -64.1 | 165.6 | 0 | 0 | 0 | 109.7 | L959 H962 V1303 I1304 F1333 W1346 I1348 | L959-I964 HydrophobicContact CD2-CB 4.35Å; L959-I964 HydrophobicContact CD2-CD1 3.82Å; L959-I964 HydrophobicContact CD2-CG2 4.28Å; L959-I964 WeakPolarHBondContact O-CB 3.02Å; L959-I964 PolarHBondContact O-N 3.01Å; H962-I964 VanDerWaalsContact C-N 3.3Å; H962-I964 HydrophobicContact CB-CD1 4.08Å; H962-I964 HydrophobicContact CB-CG1 4.32Å; H962-I964 PolarHBondContact O-N 3.45Å; I964-V1303 CarbonylContact O-C 3.4Å; I964-V1303 WeakPolarHBondContact O-CA 3.42Å; I964-I1304 PolarHBondContact O-N 3.21Å; I964-F1333 HydrophobicContact CD1-CB 3.45Å; I964-F1333 VanDerWaalsContact CD1-CB 3.45Å; I964-F1333 HydrophobicContact CD1-CD1 4.3Å; I964-F1333 HydrophobicContact CD1-CD2 4.36Å; I964-F1333 HydrophobicContact CD1-CG 3.81Å; I964-F1333 HydrophobicContact CG1-CB 4.12Å; I964-F1333 HydrophobicContact CG1-CD1 4.18Å; I964-F1333 HydrophobicContact CG1-CD2 4.17Å; I964-F1333 HydrophobicContact CG1-CG 3.9Å; I964-W1346 HydrophobicContact CD1-CH2 3.12Å; I964-W1346 HydrophobicContact CD1-CZ2 4.18Å; I964-W1346 HydrophobicContact CD1-CZ3 3.38Å; I964-I1348 HydrophobicContact CD1-CG2 4.11Å; I964-I1348 HydrophobicContact CG2-CD1 4.26Å; I964-I1348 HydrophobicContact CG2-CG2 4.07Å |
| 965 | L | 87.2 | Confident | 82.3 | Confident | 2 Ų | 2 | 34.8 Ų | 34.8 | 1% | 0.01 | 17% | 0.173 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.7 | 135 | 171.3 | -65.5 | 177.3 | 0 | 0 | 0 | 109.3 | A932 V956 L959 V960 Y1301 V1303 | A932-L965 HydrophobicContact CB-CD1 4.13Å; A932-L965 HydrophobicContact CB-CD2 4.2Å; V956-L965 HydrophobicContact CG1-CD1 4.17Å; L959-L965 HydrophobicContact CB-CB 4.49Å; L959-L965 HydrophobicContact CB-CD1 3.9Å; L959-L965 HydrophobicContact CB-CG 4.07Å; L959-L965 HydrophobicContact CD1-CD1 3.79Å; L959-L965 HydrophobicContact CD1-CG 4.43Å; L959-L965 PolarHBondContact O-N 3.24Å; V960-L965 WeakPolarHBondContact CA-O 3.35Å; V960-L965 HydrophobicContact CG2-CB 3.97Å; L965-Y1301 HydrophobicContact CB-CD1 4.24Å; L965-Y1301 HydrophobicContact CD1-CD1 4.41Å; L965-V1303 HydrophobicContact CD2-CB 4.47Å; L965-V1303 HydrophobicContact CD2-CG2 3.67Å |
| 966 | N | 86.4 | Confident | 81.5 | Confident | 60 Ų | 60 | 36.7 Ų | 36.7 | 32% | 0.321 | 18% | 0.183 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -90.2 | 122 | 163.8 | -166.5 | 26.3 | 0 | 0 | 0 | 108.2 | Y1301 N1302 I1304 | N966-Y1301 VanDerWaalsContact O-CA 3.31Å; N966-Y1301 WeakPolarHBondContact O-CA 3.39Å; N966-N1302 PolarHBondContact N-O 3.42Å; N966-N1302 PolarHBondContact O-N 3.04Å; N966-N1302 VanDerWaalsContact O-N 3.09Å; N966-I1304 HydrophobicContact CB-CD1 4.05Å; N966-I1304 HydrophobicContact CB-CG1 3.96Å |
| 967 | E | 82.6 | Confident | 80.5 | Confident | 59 Ų | 59 | 37.7 Ų | 37.7 | 28% | 0.276 | 19% | 0.189 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -90.1 | 126.3 | 174.9 | -177.7 | 168.5 | -128.2 | 0 | 0 | 109.4 | K949 V960 I1299 Y1301 | K949-E967 IonicContact NZ-OE1 3.52Å; K949-E967 PolarHBondContact NZ-OE1 3.06Å; V960-E967 HydrophobicContact CG1-CB 4.31Å; V960-E967 HydrophobicContact CG2-CB 4.11Å; E967-I1299 HydrophobicContact CG-CG2 3.69Å; E967-Y1301 HydrophobicContact CB-CD1 4.15Å; E967-Y1301 HydrophobicContact CB-CE1 3.71Å; E967-Y1301 HydrophobicContact CG-CD1 4.42Å; E967-Y1301 HydrophobicContact CG-CE1 3.66Å; E967-Y1301 PolarHBondContact OE1-OH 2.8Å |
| 968 | I | 81.4 | Confident | 79.3 | Confident | 22 Ų | 22 | 37.3 Ų | 37.3 | 11% | 0.113 | 19% | 0.189 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.9 | 132.5 | -178.1 | -48.1 | 171.5 | 0 | 0 | 0 | 109.6 | M640 T1300 | M640-I968 HydrophobicContact CE-CB 3.79Å; M640-I968 HydrophobicContact CE-CD1 4.09Å; M640-I968 HydrophobicContact CE-CG2 3.24Å; M640-I968 HydrophobicContact CG-CD1 4.08Å; M640-I968 HydrophobicContact SD-CB 4.41Å; M640-I968 HydrophobicContact SD-CD1 3.54Å; M640-I968 VanDerWaalsContact SD-CD1 3.54Å; M640-I968 HydrophobicContact SD-CG2 4.05Å; I968-T1300 HydrophobicContact CB-CG2 4.09Å; I968-T1300 PolarHBondContact N-O 2.56Å; I968-T1300 PolarHBondContact O-N 2.96Å |
| 969 | Y | 75.9 | Confident | 77.7 | Confident | 65 Ų | 65 | 42.9 Ų | 42.9 | 26% | 0.255 | 22% | 0.215 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -89.7 | 131.3 | 174.5 | -66.5 | -76 | 0 | 0 | 0 | 110.6 | E1285 R1297 I1299 | Y969-E1285 PolarHBondContact OH-OE2 3.13Å; Y969-R1297 VanDerWaalsContact CG-NH2 3.32Å; Y969-I1299 HydrophobicContact CD1-CD1 4.21Å; Y969-I1299 HydrophobicContact CD1-CG1 3.73Å; Y969-I1299 HydrophobicContact CE1-CD1 3.57Å; Y969-I1299 HydrophobicContact CE1-CG1 3.62Å; Y969-I1299 HydrophobicContact CE1-CG2 4.45Å |
| 970 | L | 78.5 | Confident | 75.5 | Confident | 11 Ų | 11 | 46.1 Ų | 46.1 | 6% | 0.058 | 24% | 0.235 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.4 | 148.5 | 175.4 | -76.7 | 176.9 | 0 | 0 | 0 | 109.7 | N631 V633 Y637 M640 F1298 T1300 | N631-L970 HydrophobicContact CB-CD2 4.04Å; V633-L970 HydrophobicContact CG1-CD1 4.2Å; V633-L970 HydrophobicContact CG2-CD1 3.72Å; V633-L970 HydrophobicContact CG2-CD2 3.82Å; V633-L970 HydrophobicContact CG2-CG 4.39Å; Y637-L970 HydrophobicContact CD1-CB 4.04Å; Y637-L970 HydrophobicContact CD1-CD1 3.99Å; M640-L970 HydrophobicContact CB-CD1 4.21Å; M640-L970 HydrophobicContact CE-CD1 3.77Å; M640-L970 HydrophobicContact CE-CD2 3.23Å; M640-L970 HydrophobicContact CE-CG 3.42Å; M640-L970 VanDerWaalsContact CE-CG 3.42Å; L970-F1298 HydrophobicContact CB-CB 4.08Å; L970-F1298 PolarHBondContact N-O 3.39Å; L970-F1298 PolarHBondContact O-N 3.25Å; L970-T1300 HydrophobicContact CD1-CG2 3.64Å; L970-T1300 HydrophobicContact CG-CG2 4.03Å |
| 971 | Y | 78.2 | Confident | 73.5 | Confident | 41 Ų | 41 | 48.5 Ų | 48.5 | 16% | 0.161 | 25% | 0.253 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.8 | 128.1 | -179.3 | -60.1 | -84.6 | 0 | 0 | 0 | 109 | V599 I601 F973 T1295 E1296 R1297 | V599-Y971 HydrophobicContact CG1-CD2 4Å; V599-Y971 HydrophobicContact CG1-CE2 4.43Å; I601-Y971 HydrophobicContact CD1-CD1 3.39Å; I601-Y971 HydrophobicContact CD1-CD2 3.74Å; I601-Y971 HydrophobicContact CD1-CE1 3.18Å; I601-Y971 HydrophobicContact CD1-CE2 3.56Å; I601-Y971 HydrophobicContact CD1-CG 3.65Å; Y971-F973 HydrophobicContact CG-CZ 4.41Å; Y971-T1295 HydrophobicContact CD1-CG2 4.35Å; Y971-E1296 CarbonylContact C-O 3.51Å; Y971-E1296 WeakPolarHBondContact CA-O 3.45Å; Y971-R1297 HydrophobicContact CD1-CB 4.35Å; Y971-R1297 HydrophobicContact CD1-CG 4.09Å; Y971-R1297 HydrophobicContact CE1-CB 4.39Å; Y971-R1297 HydrophobicContact CE1-CG 3.76Å |
| 972 | D | 80.9 | Confident | 71.2 | Confident | 4 Ų | 4 | 48.4 Ų | 48.4 | 2% | 0.021 | 26% | 0.255 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.1 | 98 | 171 | -175.6 | -2.4 | 0 | 0 | 0 | 109 | R574 Y637 Q974 G975 T1295 E1296 F1298 | R574-D972 IonicContact CZ-OD1 3.21Å; R574-D972 IonicContact CZ-OD2 2.85Å; R574-D972 VanDerWaalsContact CZ-OD2 3.26Å; R574-D972 IonicContact NH1-OD2 3.54Å; R574-D972 PolarHBondContact NH1-OD2 3.16Å; R574-D972 IonicContact NH2-OD1 2.71Å; R574-D972 PolarHBondContact NH2-OD1 2.92Å; R574-D972 IonicContact NH2-OD2 3.95Å; R574-D972 PolarHBondContact NH2-OD2 2.91Å; Y637-D972 HydrophobicContact CE1-CB 4.01Å; Y637-D972 HydrophobicContact CE2-CB 4.1Å; Y637-D972 WeakPolarHBondContact OH-CB 3.23Å; Y637-D972 VanDerWaalsContact OH-CG 3.27Å; Y637-D972 PolarHBondContact OH-OD1 2.63Å; D972-Q974 PolarHBondContact O-N 3.43Å; D972-Q974 WeakPolarHBondContact OD1-CA 3.31Å; D972-Q974 WeakPolarHBondContact OD1-CB 3.35Å; D972-Q974 PolarHBondContact OD1-N 3.42Å; D972-G975 PolarHBondContact O-N 3.49Å; D972-G975 PolarHBondContact OD1-N 3.25Å; D972-T1295 WeakPolarHBondContact O-CA 3.32Å; D972-E1296 HydrophobicContact CB-CB 4.17Å; D972-E1296 PolarHBondContact N-O 2.95Å; D972-E1296 PolarHBondContact O-N 3.04Å; D972-F1298 HydrophobicContact CB-CD2 4.32Å; D972-F1298 HydrophobicContact CB-CE2 3.82Å |
| 973 | F | 83.5 | Confident | 69 | Low | 14 Ų | 14 | 50.3 Ų | 50.3 | 6% | 0.061 | 26% | 0.264 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -75.2 | -12.1 | 177.5 | -60.4 | -68.6 | 0 | 0 | 0 | 113.2 | E592 V595 V599 I601 P608 Y971 G975 T1295 | E592-F973 HydrophobicContact CB-CB 3.76Å; E592-F973 HydrophobicContact CG-CB 3.9Å; V595-F973 HydrophobicContact CG1-CE2 3.92Å; V595-F973 HydrophobicContact CG2-CD2 3.76Å; V595-F973 HydrophobicContact CG2-CE2 3.83Å; V599-F973 HydrophobicContact CG2-CE2 4.2Å; V599-F973 HydrophobicContact CG2-CZ 4.01Å; I601-F973 HydrophobicContact CG1-CE1 4.46Å; I601-F973 HydrophobicContact CG1-CZ 4.26Å; P608-F973 HydrophobicContact CB-CD2 4.36Å; P608-F973 HydrophobicContact CB-CE1 4.14Å; P608-F973 HydrophobicContact CB-CE2 3.9Å; P608-F973 HydrophobicContact CB-CZ 3.78Å; P608-F973 VanDerWaalsContact CD-CD1 3.49Å; P608-F973 HydrophobicContact CG-CD1 4.21Å; P608-F973 HydrophobicContact CG-CD2 4.08Å; P608-F973 HydrophobicContact CG-CE1 4.25Å; P608-F973 HydrophobicContact CG-CE2 4.13Å; P608-F973 HydrophobicContact CG-CG 4.12Å; P608-F973 HydrophobicContact CG-CZ 4.21Å; Y971-F973 HydrophobicContact CG-CZ 4.41Å; F973-G975 VanDerWaalsContact C-N 3.33Å; F973-T1295 HydrophobicContact CD1-CG2 3.42Å; F973-T1295 VanDerWaalsContact CD1-CG2 3.42Å; F973-T1295 HydrophobicContact CE1-CG2 3.61Å; F973-T1295 HydrophobicContact CG-CG2 4.28Å |
| 974 | Q | 82.9 | Confident | 66.6 | Low | 12 Ų | 12 | 53 Ų | 53 | 6% | 0.056 | 28% | 0.278 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -91.8 | 7.4 | 177.2 | -61 | 179 | 65 | 0 | 0 | 112.6 | D572 K582 V588 D972 | D572-Q974 PolarHBondContact O-NE2 2.94Å; D572-Q974 PolarHBondContact O-OE1 3.47Å; K582-Q974 PolarHBondContact NZ-O 2.86Å; V588-Q974 HydrophobicContact CG1-CG 4.2Å; D972-Q974 PolarHBondContact O-N 3.43Å; D972-Q974 WeakPolarHBondContact OD1-CA 3.31Å; D972-Q974 WeakPolarHBondContact OD1-CB 3.35Å; D972-Q974 PolarHBondContact OD1-N 3.42Å |
| 975 | G | 73.6 | Confident | 64.2 | Low | 14 Ų | 14 | 57 Ų | 57 | 14% | 0.144 | 31% | 0.305 | C | S | . | . | trans | -60.1 | 160.6 | 173.9 | 0 | 0 | 0 | 0 | 0 | 113.4 | D972 F973 C1294 | D972-G975 PolarHBondContact O-N 3.49Å; D972-G975 PolarHBondContact OD1-N 3.25Å; F973-G975 VanDerWaalsContact C-N 3.33Å; G975-C1294 CarbonylContact C-O 3.57Å | ||
| 976 | I | 63.8 | Low | 61.7 | Low | 40 Ų | 40 | 62.5 Ų | 62.5 | 21% | 0.205 | 33% | 0.334 | C | S | . | . | trans | -121.8 | 135.3 | -179.1 | -53.9 | 177.4 | 0 | 0 | 0 | 111.3 | Y577 K582 S1258 | Y577-I976 HydrophobicContact CD1-CD1 3.8Å; Y577-I976 HydrophobicContact CD2-CD1 4.26Å; Y577-I976 HydrophobicContact CG-CD1 3.54Å; K582-I976 HydrophobicContact CD-CD1 3.79Å; K582-I976 HydrophobicContact CD-CG1 4.02Å; K582-I976 HydrophobicContact CG-CD1 3.57Å; K582-I976 HydrophobicContact CG-CG1 4.3Å; I976-S1258 WeakPolarHBondContact O-CB 3.18Å | ||
| 977 | C | 60.4 | Low | 59.4 | Low | 22 Ų | 22 | 68.6 Ų | 68.6 | 15% | 0.149 | 36% | 0.358 | C | S | . | . | trans | -94.2 | 124.5 | 161.2 | -42.5 | 0 | 0 | 0 | 0 | 111 | E979 R1263 C1294 | C977-E979 PolarHBondContact O-N 2.91Å; C977-R1263 VanDerWaalsContact SG-CZ 3.51Å; C977-R1263 PolarHBondContact SG-NH1 3.1Å; C977-C1294 HydrophobicContact CB-CB 4.25Å; C977-C1294 WeakPolarHBondContact CB-SG 3.41Å; C977-C1294 PolarHBondContact N-SG 2.83Å; C977-C1294 WeakPolarHBondContact SG-CA 3.17Å; C977-C1294 WeakPolarHBondContact SG-CB 3.41Å; C977-C1294 CovalentContact SG-SG 2.05Å; C977-C1294 PolarHBondContact SG-SG 2.78Å | ||
| 978 | I | 54.7 | Low | 57.6 | Low | 83 Ų | 83 | 68.4 Ų | 68.4 | 43% | 0.426 | 37% | 0.372 | S | S | . | . | B | Isolated β-bridge | trans | -90.1 | 102.5 | 166.4 | -55.8 | 176.2 | 0 | 0 | 0 | 107.2 | T980 S1258 F1260 | I978-T980 PolarHBondContact O-N 2.75Å; I978-T980 VanDerWaalsContact O-N 3.13Å; I978-S1258 WeakPolarHBondContact CB-O 3.12Å; I978-S1258 WeakPolarHBondContact CD1-OG 3.36Å; I978-S1258 WeakPolarHBondContact CG1-O 3.28Å; I978-S1258 PolarHBondContact N-O 2.77Å; I978-F1260 WeakPolarHBondContact O-CB 3.48Å; I978-F1260 PolarHBondContact O-N 3.37Å |
| 979 | E | 48.5 | Very low | 55.6 | Low | 127 Ų | 127 | 74 Ų | 74 | 59% | 0.593 | 40% | 0.402 | S | S | * | . | trans | -65.3 | 105.6 | 169.9 | -76.5 | -179.2 | 178.3 | 0 | 0 | 109 | K319 C977 S981 F1260 | K319-E979 IonicContact NZ-OE1 3.22Å; K319-E979 PolarHBondContact NZ-OE1 2.91Å; K319-E979 IonicContact NZ-OE2 2.61Å; K319-E979 PolarHBondContact NZ-OE2 2.85Å; C977-E979 PolarHBondContact O-N 2.91Å; E979-S981 PolarHBondContact O-N 2.78Å; E979-F1260 HydrophobicContact CG-CD2 4.29Å; E979-F1260 HydrophobicContact CG-CE2 3.87Å; E979-F1260 HydrophobicContact CG-CZ 4.4Å | ||
| 980 | T | 41.4 | Very low | 53.9 | Low | 67 Ų | 67 | 77.4 Ų | 77.4 | 41% | 0.411 | 42% | 0.42 | S | S | . | . | trans | -84.1 | 97.9 | 166.7 | 55 | 0 | 0 | 0 | 0 | 107.8 | I978 Q982 F1260 | I978-T980 PolarHBondContact O-N 2.75Å; I978-T980 VanDerWaalsContact O-N 3.13Å; T980-Q982 PolarHBondContact O-N 3.48Å; T980-F1260 WeakPolarHBondContact OG1-CB 3.48Å | ||
| 981 | S | 41.4 | Very low | 52.2 | Low | 90 Ų | 90 | 84 Ų | 84 | 63% | 0.629 | 46% | 0.455 | S | S | * | . | trans | -68.4 | 103.3 | 171.7 | 61.1 | 0 | 0 | 0 | 0 | 108.9 | E979 E983 | E979-S981 PolarHBondContact O-N 2.78Å; S981-E983 PolarHBondContact O-N 3.08Å | ||
| 982 | Q | 35.9 | Very low | 50.6 | Low | 147 Ų | 147 | 89 Ų | 89 | 69% | 0.687 | 47% | 0.474 | S | S | * | . | trans | -70 | 111.7 | 161.5 | -72.7 | -176.4 | -16.2 | 0 | 0 | 106.6 | T980 T984 P1163 | T980-Q982 PolarHBondContact O-N 3.48Å; Q982-T984 PolarHBondContact O-N 2.92Å; Q982-P1163 VanDerWaalsContact NE2-CG 3.34Å | ||
| 983 | E | 37.9 | Very low | 49.2 | Very low | 110 Ų | 110 | 92.1 Ų | 92.1 | 51% | 0.514 | 50% | 0.495 | S | S | . | . | trans | -57.7 | 109.7 | 167.3 | -70.8 | -176.7 | -174.5 | 0 | 0 | 106.7 | S981 P985 L1070 | S981-E983 PolarHBondContact O-N 3.08Å; E983-P985 VanDerWaalsContact O-CD 3.25Å; E983-P985 WeakPolarHBondContact O-CD 3.38Å; E983-L1070 WeakPolarHBondContact OE1-CD1 3.34Å | ||
| 984 | T | 36.4 | Very low | 47.9 | Very low | 119 Ų | 119 | 95.8 Ų | 95.8 | 73% | 0.73 | 52% | 0.52 | S | S | * | . | trans | -54.1 | 116.4 | 163.2 | 48.9 | 0 | 0 | 0 | 0 | 105.1 | Q982 N986 | Q982-T984 PolarHBondContact O-N 2.92Å; T984-N986 PolarHBondContact O-N 3.24Å | ||
| 985 | P | 36 | Very low | 47.1 | Very low | 89 Ų | 89 | 102.5 Ų | 102.5 | 58% | 0.578 | 55% | 0.549 | S | S | * | . | trans | -55.2 | 110.9 | -177.3 | 19.4 | -30.3 | 0 | 0 | 0 | 106.7 | E983 F987 | E983-P985 VanDerWaalsContact O-CD 3.25Å; E983-P985 WeakPolarHBondContact O-CD 3.38Å; P985-F987 VanDerWaalsContact C-N 3.32Å; P985-F987 WeakPolarHBondContact O-CD2 3.33Å; P985-F987 PolarHBondContact O-N 2.82Å | ||
| 986 | N | 35.1 | Very low | 46.5 | Very low | 116 Ų | 116 | 108.8 Ų | 108.8 | 62% | 0.62 | 57% | 0.569 | S | S | * | * | trans | -69.3 | 98.3 | -173.2 | -151.7 | -7 | 0 | 0 | 0 | 105.4 | T984 G988 N989 | T984-N986 PolarHBondContact O-N 3.24Å; N986-G988 PolarHBondContact O-N 3.31Å; N986-N989 PolarHBondContact O-N 3.36Å | ||
| 987 | F | 39.4 | Very low | 46.8 | Very low | 188 Ų | 188 | 111.9 Ų | 111.9 | 83% | 0.825 | 59% | 0.585 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -57.2 | -16.2 | -173.7 | -73.9 | -82.3 | 0 | 0 | 0 | 112.3 | P985 | P985-F987 VanDerWaalsContact C-N 3.32Å; P985-F987 WeakPolarHBondContact O-CD2 3.33Å; P985-F987 PolarHBondContact O-N 2.82Å |
| 988 | G | 44.6 | Very low | 47.7 | Very low | 56 Ų | 56 | 114.1 Ų | 114.1 | 58% | 0.577 | 60% | 0.597 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -74.9 | -25.6 | 173.3 | 0 | 0 | 0 | 0 | 0 | 116.1 | N986 | N986-G988 PolarHBondContact O-N 3.31Š|
| 989 | N | 39.3 | Very low | 48.9 | Very low | 140 Ų | 140 | 117 Ų | 117 | 75% | 0.749 | 60% | 0.603 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -89.4 | -15 | -178.9 | -92.3 | -1.3 | 0 | 0 | 0 | 113.8 | N986 L991 | N986-N989 PolarHBondContact O-N 3.36Å; N989-L991 PolarHBondContact O-N 3.3Å |
| 990 | H | 39.1 | Very low | 50.3 | Low | 135 Ų | 135 | 118.2 Ų | 118.2 | 63% | 0.625 | 61% | 0.606 | S | S | * | * | trans | -95.4 | 83.1 | 159.3 | -68.2 | -64.2 | 0 | 0 | 0 | 107.9 | Y992 | H990-Y992 HydrophobicContact CB-CD2 4.03Å; H990-Y992 HydrophobicContact CB-CE2 4.44Å; H990-Y992 PolarHBondContact O-N 3.09Å | ||
| 991 | L | 44 | Very low | 52.3 | Low | 151 Ų | 151 | 119.6 Ų | 119.6 | 79% | 0.791 | 61% | 0.61 | S | S | * | * | trans | -58.7 | 72.5 | 147.1 | -86.2 | 153.5 | 0 | 0 | 0 | 107.1 | N989 P993 | N989-L991 PolarHBondContact O-N 3.3Å; L991-P993 WeakPolarHBondContact O-CD 3.33Å | ||
| 992 | Y | 44 | Very low | 54.6 | Low | 145 Ų | 145 | 119 Ų | 119 | 57% | 0.569 | 60% | 0.599 | S | S | * | * | trans | -48.6 | 112.2 | 161.7 | -108.3 | -68.4 | 0 | 0 | 0 | 104.2 | H990 R996 | H990-Y992 HydrophobicContact CB-CD2 4.03Å; H990-Y992 HydrophobicContact CB-CE2 4.44Å; H990-Y992 PolarHBondContact O-N 3.09Å; Y992-R996 PolarHBondContact OH-NH1 3.12Å | ||
| 993 | P | 50.8 | Low | 57 | Low | 69 Ų | 69 | 115.4 Ų | 115.4 | 45% | 0.448 | 58% | 0.584 | S | S | . | * | trans | -57.4 | 141.5 | -157.6 | -20.2 | 27.6 | 0 | 0 | 0 | 107.8 | L991 F995 R996 | L991-P993 WeakPolarHBondContact O-CD 3.33Å; P993-F995 HydrophobicContact CB-CB 3.93Å; P993-F995 CarbonylContact O-C 3.52Å; P993-F995 PolarHBondContact O-N 2.85Å; P993-R996 PolarHBondContact O-N 3.14Å | ||
| 994 | P | 56.2 | Low | 59.5 | Low | 92 Ų | 92 | 117.5 Ų | 117.5 | 60% | 0.597 | 59% | 0.587 | S | S | * | * | H | α-helix | trans | -47.8 | -28.7 | 170.1 | 17.8 | -29.9 | 0 | 0 | 0 | 110.4 | R996 I997 V998 | P994-R996 VanDerWaalsContact C-N 3.32Å; P994-R996 PolarHBondContact O-N 3.04Å; P994-I997 PolarHBondContact O-N 3.37Å; P994-I997 VanDerWaalsContact O-N 3.16Å; P994-V998 VanDerWaalsContact O-CB 3.29Å; P994-V998 WeakPolarHBondContact O-CB 3.4Å; P994-V998 WeakPolarHBondContact O-CG2 3.44Å; P994-V998 PolarHBondContact O-N 3.31Å |
| 995 | F | 65.7 | Low | 62.1 | Low | 153 Ų | 153 | 117.6 Ų | 117.6 | 67% | 0.671 | 58% | 0.578 | S | S | * | * | H | α-helix | trans | -51.6 | -36.5 | 169.8 | -133.7 | -87.3 | 0 | 0 | 0 | 115.6 | P993 W999 | P993-F995 HydrophobicContact CB-CB 3.93Å; P993-F995 CarbonylContact O-C 3.52Å; P993-F995 PolarHBondContact O-N 2.85Å; F995-W999 WeakPolarHBondContact O-CA 3.45Å; F995-W999 WeakPolarHBondContact O-CB 3.44Å; F995-W999 PolarHBondContact O-N 3.44Å |
| 996 | R | 62 | Low | 64.7 | Low | 146 Ų | 146 | 116.8 Ų | 116.8 | 55% | 0.551 | 57% | 0.571 | S | S | * | * | H | α-helix | trans | -78 | -33.9 | 178 | -145.8 | -175.4 | -165.4 | -166.2 | 8.9 | 112.1 | Y992 P993 P994 W999 K1000 | Y992-R996 PolarHBondContact OH-NH1 3.12Å; P993-R996 PolarHBondContact O-N 3.14Å; P994-R996 VanDerWaalsContact C-N 3.32Å; P994-R996 PolarHBondContact O-N 3.04Å; R996-W999 PolarHBondContact O-N 3.47Å; R996-K1000 WeakPolarHBondContact O-CB 3.25Å; R996-K1000 WeakPolarHBondContact O-CG 3.18Å; R996-K1000 PolarHBondContact O-N 3.01Å |
| 997 | I | 71.1 | Confident | 67 | Low | 105 Ų | 105 | 115.4 Ų | 115.4 | 54% | 0.538 | 56% | 0.564 | S | S | . | * | H | α-helix | trans | -68.7 | -47.1 | 171.6 | -63.1 | 174.5 | 0 | 0 | 0 | 109.2 | P994 W999 K1000 I1001 | P994-I997 PolarHBondContact O-N 3.37Å; P994-I997 VanDerWaalsContact O-N 3.16Å; I997-W999 VanDerWaalsContact C-N 3.3Å; I997-W999 PolarHBondContact O-N 3.06Å; I997-K1000 CarbonylContact O-C 3.47Å; I997-K1000 WeakPolarHBondContact O-CB 3.43Å; I997-K1000 PolarHBondContact O-N 3.45Å; I997-I1001 HydrophobicContact CG2-CD1 3.95Å; I997-I1001 VanDerWaalsContact O-CG1 3.3Å; I997-I1001 WeakPolarHBondContact O-CG1 3.35Å; I997-I1001 PolarHBondContact O-N 3.2Å |
| 998 | V | 77.4 | Confident | 69.1 | Low | 68 Ų | 68 | 110.8 Ų | 110.8 | 41% | 0.412 | 55% | 0.545 | S | S | . | . | H | α-helix | trans | -59.1 | -42 | 172.8 | 171.6 | 0 | 0 | 0 | 0 | 110.4 | P994 I1001 I1002 | P994-V998 VanDerWaalsContact O-CB 3.29Å; P994-V998 WeakPolarHBondContact O-CB 3.4Å; P994-V998 WeakPolarHBondContact O-CG2 3.44Å; P994-V998 PolarHBondContact O-N 3.31Å; V998-I1001 CarbonylContact O-C 3.04Å; V998-I1001 PolarHBondContact O-N 3.43Å; V998-I1002 HydrophobicContact CG1-CD1 3.74Å; V998-I1002 HydrophobicContact CG1-CG1 4.33Å; V998-I1002 WeakPolarHBondContact O-CB 3.43Å; V998-I1002 WeakPolarHBondContact O-CG1 3.4Å; V998-I1002 PolarHBondContact O-N 2.98Å |
| 999 | W | 81.8 | Confident | 71 | Confident | 145 Ų | 145 | 112.1 Ų | 112.1 | 55% | 0.549 | 54% | 0.538 | S | S | . | . | H | α-helix | trans | -65.8 | -39 | 176.2 | -167.9 | -110.8 | 0 | 0 | 0 | 112.2 | F995 R996 I997 I1002 I1003 | F995-W999 WeakPolarHBondContact O-CA 3.45Å; F995-W999 WeakPolarHBondContact O-CB 3.44Å; F995-W999 PolarHBondContact O-N 3.44Å; R996-W999 PolarHBondContact O-N 3.47Å; I997-W999 VanDerWaalsContact C-N 3.3Å; I997-W999 PolarHBondContact O-N 3.06Å; W999-I1002 HydrophobicContact CE3-CD1 4.37Å; W999-I1002 PolarHBondContact O-N 3.17Å; W999-I1003 VanDerWaalsContact CD1-CD1 3.41Å; W999-I1003 HydrophobicContact CG-CD1 4.23Å; W999-I1003 VanDerWaalsContact NE1-CD1 3.33Å; W999-I1003 WeakPolarHBondContact O-CB 3.39Å; W999-I1003 VanDerWaalsContact O-CG1 3.26Å; W999-I1003 WeakPolarHBondContact O-CG1 3.48Å; W999-I1003 PolarHBondContact O-N 2.94Å |
| 1000 | K | 77.3 | Confident | 73.1 | Confident | 151 Ų | 151 | 108.2 Ų | 108.2 | 66% | 0.657 | 52% | 0.519 | S | S | * | . | H | α-helix | trans | -64.9 | -40 | 171.2 | -81.9 | -172.5 | 176.6 | -173.2 | 0 | 112.1 | R996 I997 I1003 W1004 | R996-K1000 WeakPolarHBondContact O-CB 3.25Å; R996-K1000 WeakPolarHBondContact O-CG 3.18Å; R996-K1000 PolarHBondContact O-N 3.01Å; I997-K1000 CarbonylContact O-C 3.47Å; I997-K1000 WeakPolarHBondContact O-CB 3.43Å; I997-K1000 PolarHBondContact O-N 3.45Å; K1000-I1003 PolarHBondContact O-N 3.11Å; K1000-W1004 WeakPolarHBondContact O-CB 3.45Å; K1000-W1004 PolarHBondContact O-N 3.03Å |
| 1001 | I | 83.9 | Confident | 75.1 | Confident | 97 Ų | 97 | 107.1 Ų | 107.1 | 50% | 0.497 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -65.2 | -41.2 | 175.3 | -69.2 | 167 | 0 | 0 | 0 | 110.1 | I997 V998 W1004 F1005 | I997-I1001 HydrophobicContact CG2-CD1 3.95Å; I997-I1001 VanDerWaalsContact O-CG1 3.3Å; I997-I1001 WeakPolarHBondContact O-CG1 3.35Å; I997-I1001 PolarHBondContact O-N 3.2Å; V998-I1001 CarbonylContact O-C 3.04Å; V998-I1001 PolarHBondContact O-N 3.43Å; I1001-W1004 PolarHBondContact O-N 3.21Å; I1001-F1005 WeakPolarHBondContact O-CB 3.45Å; I1001-F1005 PolarHBondContact O-N 2.77Å |
| 1002 | I | 88.2 | Confident | 76.8 | Confident | 76 Ų | 76 | 106.7 Ų | 106.7 | 39% | 0.39 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -64.3 | -48 | 175.3 | -70.4 | 165.8 | 0 | 0 | 0 | 110.2 | V998 W999 W1004 F1005 V1006 | V998-I1002 HydrophobicContact CG1-CD1 3.74Å; V998-I1002 HydrophobicContact CG1-CG1 4.33Å; V998-I1002 WeakPolarHBondContact O-CB 3.43Å; V998-I1002 WeakPolarHBondContact O-CG1 3.4Å; V998-I1002 PolarHBondContact O-N 2.98Å; W999-I1002 HydrophobicContact CE3-CD1 4.37Å; W999-I1002 PolarHBondContact O-N 3.17Å; I1002-W1004 VanDerWaalsContact C-N 3.34Å; I1002-W1004 PolarHBondContact O-N 2.68Å; I1002-F1005 PolarHBondContact O-N 3.32Å; I1002-V1006 HydrophobicContact CG2-CG2 4.28Å; I1002-V1006 WeakPolarHBondContact O-CB 3.35Å; I1002-V1006 VanDerWaalsContact O-CG2 3.22Å; I1002-V1006 WeakPolarHBondContact O-CG2 3.27Å; I1002-V1006 PolarHBondContact O-N 3.1Å |
| 1003 | I | 87.3 | Confident | 78.3 | Confident | 73 Ų | 73 | 105.2 Ų | 105.2 | 37% | 0.374 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -61 | -45.2 | 177 | -73.1 | 168.4 | 0 | 0 | 0 | 110.5 | W999 K1000 V1006 N1007 | W999-I1003 VanDerWaalsContact CD1-CD1 3.41Å; W999-I1003 HydrophobicContact CG-CD1 4.23Å; W999-I1003 VanDerWaalsContact NE1-CD1 3.33Å; W999-I1003 WeakPolarHBondContact O-CB 3.39Å; W999-I1003 VanDerWaalsContact O-CG1 3.26Å; W999-I1003 WeakPolarHBondContact O-CG1 3.48Å; W999-I1003 PolarHBondContact O-N 2.94Å; K1000-I1003 PolarHBondContact O-N 3.11Å; I1003-V1006 PolarHBondContact O-N 2.72Å; I1003-N1007 VanDerWaalsContact O-CB 3.3Å; I1003-N1007 WeakPolarHBondContact O-CB 3.39Å; I1003-N1007 PolarHBondContact O-N 2.89Å; I1003-N1007 PolarHBondContact O-ND2 2.98Å |
| 1004 | W | 89.3 | Confident | 79.1 | Confident | 153 Ų | 153 | 107.9 Ų | 107.9 | 58% | 0.58 | 51% | 0.513 | S | S | * | . | H | α-helix | trans | -60.8 | -46.4 | 176.9 | 173.5 | 73.2 | 0 | 0 | 0 | 110.9 | K1000 I1001 I1002 V1006 N1007 E1008 | K1000-W1004 WeakPolarHBondContact O-CB 3.45Å; K1000-W1004 PolarHBondContact O-N 3.03Å; I1001-W1004 PolarHBondContact O-N 3.21Å; I1002-W1004 VanDerWaalsContact C-N 3.34Å; I1002-W1004 PolarHBondContact O-N 2.68Å; W1004-V1006 PolarHBondContact O-N 2.79Å; W1004-N1007 PolarHBondContact O-N 3.31Å; W1004-E1008 HydrophobicContact CD2-CG 4.29Å; W1004-E1008 HydrophobicContact CZ2-CG 3.9Å; W1004-E1008 WeakPolarHBondContact O-CG 3.49Å; W1004-E1008 PolarHBondContact O-N 2.81Å |
| 1005 | F | 90.8 | Very high | 79.7 | Confident | 121 Ų | 121 | 105.5 Ų | 105.5 | 53% | 0.531 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -64.2 | -40.9 | 178.3 | -170.9 | -100.7 | 0 | 0 | 0 | 112.4 | I1001 I1002 E1008 I1009 | I1001-F1005 WeakPolarHBondContact O-CB 3.45Å; I1001-F1005 PolarHBondContact O-N 2.77Å; I1002-F1005 PolarHBondContact O-N 3.32Å; F1005-E1008 PolarHBondContact O-N 3.44Å; F1005-I1009 HydrophobicContact CD1-CD1 3.76Å; F1005-I1009 HydrophobicContact CE1-CD1 3.33Å; F1005-I1009 HydrophobicContact CE1-CG1 4.29Å; F1005-I1009 HydrophobicContact CZ-CD1 3.93Å; F1005-I1009 WeakPolarHBondContact O-CG1 3.46Å; F1005-I1009 PolarHBondContact O-N 2.92Å |
| 1006 | V | 90.7 | Very high | 79.5 | Confident | 73 Ų | 73 | 105.3 Ų | 105.3 | 44% | 0.442 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -63.1 | -45.9 | 172.9 | 169.9 | 0 | 0 | 0 | 0 | 109.9 | I1002 I1003 W1004 E1008 I1009 T1010 | I1002-V1006 HydrophobicContact CG2-CG2 4.28Å; I1002-V1006 WeakPolarHBondContact O-CB 3.35Å; I1002-V1006 VanDerWaalsContact O-CG2 3.22Å; I1002-V1006 WeakPolarHBondContact O-CG2 3.27Å; I1002-V1006 PolarHBondContact O-N 3.1Å; I1003-V1006 PolarHBondContact O-N 2.72Å; W1004-V1006 PolarHBondContact O-N 2.79Å; V1006-E1008 VanDerWaalsContact C-N 3.34Å; V1006-E1008 PolarHBondContact O-N 3.35Å; V1006-I1009 PolarHBondContact O-N 2.78Å; V1006-T1010 WeakPolarHBondContact O-CB 3.45Å; V1006-T1010 PolarHBondContact O-N 2.9Å; V1006-T1010 PolarHBondContact O-OG1 3.3Å |
| 1007 | N | 84.8 | Confident | 79.3 | Confident | 87 Ų | 87 | 101.1 Ų | 101.1 | 47% | 0.465 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -62.4 | -40.2 | 178.2 | -74.5 | -17.1 | 0 | 0 | 0 | 112 | I1003 W1004 T1010 L1011 | I1003-N1007 VanDerWaalsContact O-CB 3.3Å; I1003-N1007 WeakPolarHBondContact O-CB 3.39Å; I1003-N1007 PolarHBondContact O-N 2.89Å; I1003-N1007 PolarHBondContact O-ND2 2.98Å; W1004-N1007 PolarHBondContact O-N 3.31Å; N1007-T1010 PolarHBondContact O-N 2.82Å; N1007-L1011 WeakPolarHBondContact O-CB 3.41Å; N1007-L1011 WeakPolarHBondContact O-CG 3.37Å; N1007-L1011 PolarHBondContact O-N 2.86Å |
| 1008 | E | 83.9 | Confident | 78.3 | Confident | 91 Ų | 91 | 102.9 Ų | 102.9 | 43% | 0.425 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -64.7 | -42.6 | 174.5 | -75.4 | -60.3 | 160.2 | 0 | 0 | 112 | W1004 F1005 V1006 T1010 L1011 F1012 | W1004-E1008 HydrophobicContact CD2-CG 4.29Å; W1004-E1008 HydrophobicContact CZ2-CG 3.9Å; W1004-E1008 WeakPolarHBondContact O-CG 3.49Å; W1004-E1008 PolarHBondContact O-N 2.81Å; F1005-E1008 PolarHBondContact O-N 3.44Å; V1006-E1008 VanDerWaalsContact C-N 3.34Å; V1006-E1008 PolarHBondContact O-N 3.35Å; E1008-T1010 VanDerWaalsContact C-N 3.29Å; E1008-T1010 PolarHBondContact O-N 3.35Å; E1008-L1011 PolarHBondContact O-N 3.21Å; E1008-F1012 VanDerWaalsContact O-CB 3.23Å; E1008-F1012 WeakPolarHBondContact O-CB 3.5Å; E1008-F1012 PolarHBondContact O-N 3.44Å |
| 1009 | I | 84 | Confident | 77.1 | Confident | 84 Ų | 84 | 106.7 Ų | 106.7 | 43% | 0.431 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -62.3 | -41.3 | 172.5 | -72.9 | 175.5 | 0 | 0 | 0 | 110.6 | F1005 V1006 F1012 M1013 | F1005-I1009 HydrophobicContact CD1-CD1 3.76Å; F1005-I1009 HydrophobicContact CE1-CD1 3.33Å; F1005-I1009 HydrophobicContact CE1-CG1 4.29Å; F1005-I1009 HydrophobicContact CZ-CD1 3.93Å; F1005-I1009 WeakPolarHBondContact O-CG1 3.46Å; F1005-I1009 PolarHBondContact O-N 2.92Å; V1006-I1009 PolarHBondContact O-N 2.78Å; I1009-F1012 PolarHBondContact O-N 3.18Å; I1009-M1013 HydrophobicContact CG2-CG 4.19Å; I1009-M1013 WeakPolarHBondContact O-CB 3.05Å; I1009-M1013 WeakPolarHBondContact O-CG 3.44Å; I1009-M1013 PolarHBondContact O-N 3.5Å |
| 1010 | T | 83.5 | Confident | 75.5 | Confident | 57 Ų | 57 | 106.7 Ų | 106.7 | 35% | 0.35 | 53% | 0.529 | S | S | . | . | H | α-helix | trans | -67.2 | -42 | -178.6 | -41.9 | 0 | 0 | 0 | 0 | 109.8 | V1006 N1007 E1008 M1013 F1014 | V1006-T1010 WeakPolarHBondContact O-CB 3.45Å; V1006-T1010 PolarHBondContact O-N 2.9Å; V1006-T1010 PolarHBondContact O-OG1 3.3Å; N1007-T1010 PolarHBondContact O-N 2.82Å; E1008-T1010 VanDerWaalsContact C-N 3.29Å; E1008-T1010 PolarHBondContact O-N 3.35Å; T1010-M1013 PolarHBondContact O-N 3.26Å; T1010-F1014 HydrophobicContact CG2-CD2 3.91Å; T1010-F1014 HydrophobicContact CG2-CE2 4Å; T1010-F1014 WeakPolarHBondContact O-CB 3.35Å; T1010-F1014 VanDerWaalsContact O-CD2 3.32Å; T1010-F1014 WeakPolarHBondContact O-CD2 3.33Å; T1010-F1014 PolarHBondContact O-N 2.65Å |
| 1011 | L | 79.6 | Confident | 73.9 | Confident | 112 Ų | 112 | 105.1 Ų | 105.1 | 59% | 0.586 | 53% | 0.528 | S | S | * | . | H | α-helix | trans | -65.4 | -38.9 | 173.2 | -78.1 | 166.6 | 0 | 0 | 0 | 112.2 | N1007 E1008 F1014 G1015 | N1007-L1011 WeakPolarHBondContact O-CB 3.41Å; N1007-L1011 WeakPolarHBondContact O-CG 3.37Å; N1007-L1011 PolarHBondContact O-N 2.86Å; E1008-L1011 PolarHBondContact O-N 3.21Å; L1011-F1014 PolarHBondContact O-N 3.38Å; L1011-G1015 PolarHBondContact O-N 3.32Å |
| 1012 | F | 80.5 | Confident | 71.6 | Confident | 143 Ų | 143 | 105.5 Ų | 105.5 | 63% | 0.627 | 54% | 0.539 | S | S | * | . | H | α-helix | trans | -64.4 | -43.3 | 174.5 | -174.7 | -94.8 | 0 | 0 | 0 | 111.4 | E1008 I1009 G1015 F1016 | E1008-F1012 VanDerWaalsContact O-CB 3.23Å; E1008-F1012 WeakPolarHBondContact O-CB 3.5Å; E1008-F1012 PolarHBondContact O-N 3.44Å; I1009-F1012 PolarHBondContact O-N 3.18Å; F1012-G1015 PolarHBondContact O-N 3Å; F1012-F1016 PolarHBondContact O-N 3.3Å |
| 1013 | M | 75.7 | Confident | 68.8 | Low | 113 Ų | 113 | 110.6 Ų | 110.6 | 56% | 0.557 | 56% | 0.555 | S | S | * | * | H | α-helix | trans | -68.8 | -39.8 | 176 | -69.1 | -66.8 | -74 | 0 | 0 | 111.6 | I1009 T1010 F1016 V1017 | I1009-M1013 HydrophobicContact CG2-CG 4.19Å; I1009-M1013 WeakPolarHBondContact O-CB 3.05Å; I1009-M1013 WeakPolarHBondContact O-CG 3.44Å; I1009-M1013 PolarHBondContact O-N 3.5Å; T1010-M1013 PolarHBondContact O-N 3.26Å; M1013-F1016 PolarHBondContact O-N 2.74Å; M1013-V1017 WeakPolarHBondContact O-CB 3.43Å; M1013-V1017 WeakPolarHBondContact O-CG2 3.25Å; M1013-V1017 PolarHBondContact O-N 3.28Å |
| 1014 | F | 68.6 | Low | 66 | Low | 125 Ų | 125 | 116.3 Ų | 116.3 | 55% | 0.548 | 57% | 0.571 | S | S | . | * | H | α-helix | trans | -67.3 | -36.8 | 173.6 | -95.3 | -78.1 | 0 | 0 | 0 | 111.8 | T1010 L1011 F1016 V1017 E1018 | T1010-F1014 HydrophobicContact CG2-CD2 3.91Å; T1010-F1014 HydrophobicContact CG2-CE2 4Å; T1010-F1014 WeakPolarHBondContact O-CB 3.35Å; T1010-F1014 VanDerWaalsContact O-CD2 3.32Å; T1010-F1014 WeakPolarHBondContact O-CD2 3.33Å; T1010-F1014 PolarHBondContact O-N 2.65Å; L1011-F1014 PolarHBondContact O-N 3.38Å; F1014-F1016 VanDerWaalsContact C-N 3.26Å; F1014-F1016 PolarHBondContact O-N 3Å; F1014-V1017 CarbonylContact O-C 3.52Å; F1014-V1017 PolarHBondContact O-N 3.34Å; F1014-V1017 VanDerWaalsContact O-N 3.11Å; F1014-E1018 WeakPolarHBondContact O-CB 3.3Å; F1014-E1018 WeakPolarHBondContact O-CG 3.08Å; F1014-E1018 PolarHBondContact O-N 3.19Å |
| 1015 | G | 68.5 | Low | 63.2 | Low | 43 Ų | 43 | 115.9 Ų | 115.9 | 44% | 0.443 | 58% | 0.579 | S | S | . | * | H | α-helix | trans | -60.6 | -38.5 | 171.7 | 0 | 0 | 0 | 0 | 0 | 111.7 | L1011 F1012 | L1011-G1015 PolarHBondContact O-N 3.32Å; F1012-G1015 PolarHBondContact O-N 3Å |
| 1016 | F | 60.2 | Low | 60.1 | Low | 148 Ų | 148 | 116.3 Ų | 116.3 | 65% | 0.649 | 59% | 0.592 | S | S | * | * | H | α-helix | trans | -72 | -28.4 | 174.3 | -125.3 | -88.2 | 0 | 0 | 0 | 113.5 | F1012 M1013 F1014 | F1012-F1016 PolarHBondContact O-N 3.3Å; M1013-F1016 PolarHBondContact O-N 2.74Å; F1014-F1016 VanDerWaalsContact C-N 3.26Å; F1014-F1016 PolarHBondContact O-N 3Å |
| 1017 | V | 58 | Low | 57.3 | Low | 58 Ų | 58 | 122.5 Ų | 122.5 | 35% | 0.352 | 61% | 0.613 | S | S | . | * | H | α-helix | trans | -88.3 | -27.9 | -179.3 | 173.9 | 0 | 0 | 0 | 0 | 111.9 | M1013 F1014 L1020 L1021 | M1013-V1017 WeakPolarHBondContact O-CB 3.43Å; M1013-V1017 WeakPolarHBondContact O-CG2 3.25Å; M1013-V1017 PolarHBondContact O-N 3.28Å; F1014-V1017 CarbonylContact O-C 3.52Å; F1014-V1017 PolarHBondContact O-N 3.34Å; F1014-V1017 VanDerWaalsContact O-N 3.11Å; V1017-L1020 CarbonylContact O-C 3.38Å; V1017-L1020 WeakPolarHBondContact O-CA 3.44Å; V1017-L1020 PolarHBondContact O-N 3.18Å; V1017-L1021 HydrophobicContact CG1-CB 4.48Å; V1017-L1021 HydrophobicContact CG1-CD1 3.61Å; V1017-L1021 HydrophobicContact CG1-CG 4.21Å; V1017-L1021 WeakPolarHBondContact O-CB 3.33Å; V1017-L1021 PolarHBondContact O-N 3.31Å |
| 1018 | E | 49.9 | Very low | 54.5 | Low | 142 Ų | 142 | 121.9 Ų | 121.9 | 66% | 0.664 | 63% | 0.627 | S | S | * | * | H | α-helix | trans | -68.3 | -34.5 | 173.1 | -80.4 | -158.4 | 155.9 | 0 | 0 | 112 | F1014 L1020 S1022 | F1014-E1018 WeakPolarHBondContact O-CB 3.3Å; F1014-E1018 WeakPolarHBondContact O-CG 3.08Å; F1014-E1018 PolarHBondContact O-N 3.19Å; E1018-L1020 PolarHBondContact O-N 2.97Å; E1018-S1022 WeakPolarHBondContact O-CB 3.07Å; E1018-S1022 PolarHBondContact O-N 3.02Å; E1018-S1022 PolarHBondContact O-OG 3.49Å |
| 1019 | D | 52.7 | Low | 51.7 | Low | 148 Ų | 148 | 126.4 Ų | 126.4 | 79% | 0.791 | 65% | 0.648 | S | S | * | * | H | α-helix | trans | -65.8 | -24.4 | 168.2 | -101.2 | -0.3 | 0 | 0 | 0 | 112.2 | ||
| 1020 | L | 49.3 | Very low | 48.8 | Very low | 145 Ų | 145 | 132 Ų | 132 | 76% | 0.759 | 67% | 0.67 | S | S | * | * | H | α-helix | trans | -94.8 | -22.6 | -179.5 | -141.9 | 88.4 | 0 | 0 | 0 | 114.6 | V1017 E1018 | V1017-L1020 CarbonylContact O-C 3.38Å; V1017-L1020 WeakPolarHBondContact O-CA 3.44Å; V1017-L1020 PolarHBondContact O-N 3.18Å; E1018-L1020 PolarHBondContact O-N 2.97Å |
| 1021 | L | 42.7 | Very low | 46.1 | Very low | 119 Ų | 119 | 141.2 Ų | 141.2 | 62% | 0.623 | 70% | 0.698 | S | S | * | * | H | α-helix | trans | -125.5 | 11.7 | -170.9 | -71.3 | 176.8 | 0 | 0 | 0 | 115.1 | V1017 Y1023 | V1017-L1021 HydrophobicContact CG1-CB 4.48Å; V1017-L1021 HydrophobicContact CG1-CD1 3.61Å; V1017-L1021 HydrophobicContact CG1-CG 4.21Å; V1017-L1021 WeakPolarHBondContact O-CB 3.33Å; V1017-L1021 PolarHBondContact O-N 3.31Å; L1021-Y1023 PolarHBondContact O-N 3.42Å |
| 1022 | S | 34.5 | Very low | 43.6 | Very low | 105 Ų | 105 | 139.3 Ų | 139.3 | 73% | 0.734 | 71% | 0.705 | S | S | * | * | trans | -61.7 | 8.9 | 167.6 | 54.6 | 0 | 0 | 0 | 0 | 114.9 | E1018 | E1018-S1022 WeakPolarHBondContact O-CB 3.07Å; E1018-S1022 PolarHBondContact O-N 3.02Å; E1018-S1022 PolarHBondContact O-OG 3.49Å | ||
| 1023 | Y | 30.5 | Very low | 40.8 | Very low | 182 Ų | 182 | 140.7 Ų | 140.7 | 71% | 0.714 | 72% | 0.719 | S | S | * | * | S | Bend | trans | -123.3 | 75.6 | 167.3 | -163.6 | -95.3 | 0 | 0 | 0 | 111.4 | L1021 | L1021-Y1023 PolarHBondContact O-N 3.42Š|
| 1024 | R | 29.1 | Very low | 38.4 | Very low | 193 Ų | 193 | 146.6 Ų | 146.6 | 73% | 0.728 | 74% | 0.736 | S | S | * | * | S | Bend | trans | 167.6 | 115.9 | 132.3 | -89.8 | 165.2 | -151.1 | -109.1 | 7.9 | 113.6 | ||
| 1025 | I | 29.8 | Very low | 36.3 | Very low | 144 Ų | 144 | 145.7 Ų | 145.7 | 74% | 0.738 | 75% | 0.746 | S | S | * | * | trans | 80.6 | 84.5 | 136.8 | -52.4 | 165.6 | 0 | 0 | 0 | 116.6 | ||||
| 1026 | T | 26.8 | Very low | 34.1 | Very low | 131 Ų | 131 | 152.9 Ų | 152.9 | 80% | 0.804 | 77% | 0.767 | S | S | * | * | trans | -40.8 | 120.6 | 136.6 | -30.6 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 1027 | F | 30.7 | Very low | 32.5 | Very low | 202 Ų | 202 | 152 Ų | 152 | 89% | 0.886 | 77% | 0.774 | S | S | * | * | trans | -173.6 | 105.5 | 135.4 | -104.3 | -71.8 | 0 | 0 | 0 | 109.2 | ||||
| 1028 | G | 25.7 | Very low | 30.7 | Very low | 74 Ų | 74 | 158 Ų | 158 | 76% | 0.763 | 80% | 0.799 | S | S | * | * | trans | -79.2 | 139.8 | 175.5 | 0 | 0 | 0 | 0 | 0 | 112.3 | ||||
| 1029 | Q | 26.3 | Very low | 29.6 | Very low | 186 Ų | 186 | 158.1 Ų | 158.1 | 87% | 0.869 | 80% | 0.804 | S | S | * | * | trans | -132.3 | 131.1 | 158.3 | -93.3 | -171.6 | -19.7 | 0 | 0 | 110.6 | ||||
| 1030 | K | 23.2 | Very low | 28.1 | Very low | 203 Ų | 203 | 157.8 Ų | 157.8 | 88% | 0.883 | 80% | 0.801 | S | S | * | * | trans | -45.4 | 140.5 | 176.4 | -77.8 | 165.9 | 163.4 | 174.6 | 0 | 113.8 | ||||
| 1031 | W | 25.7 | Very low | 26.8 | Very low | 250 Ų | 250 | 157.6 Ų | 157.6 | 95% | 0.947 | 80% | 0.799 | S | S | * | * | trans | -124.3 | 117.5 | 153.6 | -74.6 | 84.9 | 0 | 0 | 0 | 109.1 | ||||
| 1032 | G | 27 | Very low | 25.9 | Very low | 71 Ų | 71 | 159 Ų | 159 | 73% | 0.732 | 81% | 0.808 | S | S | * | * | trans | -87.8 | 143.1 | 178 | 0 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 1033 | L | 21.8 | Very low | 25.3 | Very low | 173 Ų | 173 | 160.9 Ų | 160.9 | 91% | 0.906 | 81% | 0.81 | S | S | * | * | trans | 9.2 | 122.6 | 153.9 | -121.5 | 71.2 | 0 | 0 | 0 | 118.8 | ||||
| 1034 | Y | 24.8 | Very low | 25.1 | Very low | 237 Ų | 237 | 159.5 Ų | 159.5 | 93% | 0.929 | 81% | 0.814 | S | S | * | * | P | Polyproline II helix | trans | -56.9 | 126 | 171 | -77.1 | -100.6 | 0 | 0 | 0 | 112.7 | ||
| 1035 | S | 24.7 | Very low | 24.8 | Very low | 106 Ų | 106 | 158.4 Ų | 158.4 | 74% | 0.741 | 82% | 0.817 | S | S | * | * | P | Polyproline II helix | trans | -95.7 | 134.9 | 161.9 | 56.9 | 0 | 0 | 0 | 0 | 109.7 | ||
| 1036 | E | 21.9 | Very low | 24.4 | Very low | 193 Ų | 193 | 160.9 Ų | 160.9 | 90% | 0.902 | 82% | 0.822 | S | S | * | * | P | Polyproline II helix | trans | -55.2 | 137.8 | 172.7 | -66.7 | 167.5 | 145.9 | 0 | 0 | 112.1 | ||
| 1037 | T | 27 | Very low | 24.3 | Very low | 129 Ų | 129 | 163.4 Ų | 163.4 | 79% | 0.791 | 83% | 0.825 | S | S | * | * | trans | -129.3 | 106.5 | 160 | 49.4 | 0 | 0 | 0 | 0 | 107.6 | ||||
| 1038 | E | 21.6 | Very low | 24 | Very low | 186 Ų | 186 | 159.2 Ų | 159.2 | 87% | 0.869 | 82% | 0.816 | S | S | * | * | trans | -63.6 | 127 | 158.4 | -71.8 | 177.5 | 135.7 | 0 | 0 | 108.7 | ||||
| 1039 | D | 25.9 | Very low | 23.7 | Very low | 144 Ų | 144 | 166.1 Ų | 166.1 | 77% | 0.77 | 83% | 0.826 | S | S | * | * | trans | -153.8 | 112.8 | 155.4 | -91.9 | -33.1 | 0 | 0 | 0 | 111.3 | ||||
| 1040 | L | 22.1 | Very low | 23.6 | Very low | 140 Ų | 140 | 162.9 Ų | 162.9 | 73% | 0.733 | 82% | 0.819 | S | S | * | * | trans | 27.2 | 125.2 | 141.9 | -67.1 | 120 | 0 | 0 | 0 | 123 | ||||
| 1041 | I | 20.4 | Very low | 23.5 | Very low | 141 Ų | 141 | 158 Ų | 158 | 72% | 0.723 | 81% | 0.81 | S | S | * | * | trans | 62.4 | 112.9 | 132 | -54.7 | 171.8 | 0 | 0 | 0 | 118 | ||||
| 1042 | D | 24.4 | Very low | 23.1 | Very low | 150 Ų | 150 | 157.4 Ų | 157.4 | 80% | 0.802 | 81% | 0.81 | S | S | * | * | -159.8 | 141.9 | 108.7 | -142.1 | -11.9 | 0 | 0 | 0 | 113.2 | |||||
| 1043 | N | 21.9 | Very low | 22.9 | Very low | 144 Ų | 144 | 160.3 Ų | 160.3 | 77% | 0.77 | 81% | 0.813 | S | S | * | * | trans | -85.2 | 126 | 174.1 | -78.6 | -60.7 | 0 | 0 | 0 | 108.8 | ||||
| 1044 | D | 26.4 | Very low | 23 | Very low | 152 Ų | 152 | 159.7 Ų | 159.7 | 81% | 0.813 | 81% | 0.811 | S | S | * | * | trans | -142.6 | 109.1 | 154.7 | -112 | -21.3 | 0 | 0 | 0 | 113.2 | ||||
| 1045 | H | 23.8 | Very low | 23 | Very low | 170 Ų | 170 | 158.5 Ų | 158.5 | 79% | 0.787 | 81% | 0.811 | S | S | * | * | trans | 26.3 | 114.3 | 148.2 | -76.1 | -77.7 | 0 | 0 | 0 | 122.6 | ||||
| 1046 | K | 20.9 | Very low | 23 | Very low | 196 Ų | 196 | 161.5 Ų | 161.5 | 85% | 0.852 | 81% | 0.813 | S | S | * | * | trans | -5.9 | 130.3 | 134.4 | -74.5 | 171.7 | 172.6 | 172.6 | 0 | 116.3 | ||||
| 1047 | E | 24.6 | Very low | 23.2 | Very low | 184 Ų | 184 | 159.1 Ų | 159.1 | 86% | 0.86 | 81% | 0.806 | S | S | * | * | trans | -152.5 | 119 | 139.2 | -113.7 | 172 | -155.1 | 0 | 0 | 113.2 | ||||
| 1048 | T | 23.9 | Very low | 23.2 | Very low | 114 Ų | 114 | 160.5 Ų | 160.5 | 70% | 0.699 | 81% | 0.809 | S | S | * | * | trans | 63.5 | 95.2 | 145.3 | 31.8 | 0 | 0 | 0 | 0 | 121.9 | ||||
| 1049 | F | 19 | Very low | 23.3 | Very low | 220 Ų | 220 | 159.4 Ų | 159.4 | 97% | 0.965 | 81% | 0.808 | S | S | * | * | trans | -57.2 | 121.4 | 145.1 | -98.9 | -105.1 | 0 | 0 | 0 | 110.8 | ||||
| 1050 | T | 23.6 | Very low | 23.5 | Very low | 118 Ų | 118 | 157.2 Ų | 157.2 | 72% | 0.724 | 80% | 0.802 | S | S | * | * | trans | -123.3 | 112 | 167 | 42.6 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 1051 | S | 21.8 | Very low | 24 | Very low | 100 Ų | 100 | 154.6 Ų | 154.6 | 70% | 0.699 | 80% | 0.795 | S | S | * | * | trans | 46.5 | 104.9 | 142.5 | 60.9 | 0 | 0 | 0 | 0 | 120.1 | T1053 | S1051-T1053 PolarHBondContact O-N 2.91Š| ||
| 1052 | Y | 18 | Very low | 24.6 | Very low | 238 Ų | 238 | 154.4 Ų | 154.4 | 93% | 0.933 | 79% | 0.791 | S | S | * | * | trans | -32.2 | 123.9 | 147.3 | -87.1 | -107.7 | 0 | 0 | 0 | 113.7 | ||||
| 1053 | T | 22.6 | Very low | 24.8 | Very low | 132 Ų | 132 | 151.7 Ų | 151.7 | 81% | 0.81 | 78% | 0.776 | S | S | * | * | trans | -136.6 | 133.1 | 156.4 | 34.7 | 0 | 0 | 0 | 0 | 110.5 | S1051 | S1051-T1053 PolarHBondContact O-N 2.91Š| ||
| 1054 | N | 23.6 | Very low | 25.2 | Very low | 160 Ų | 160 | 151 Ų | 151 | 86% | 0.856 | 77% | 0.767 | S | S | * | * | trans | -37.5 | 128.5 | -174.7 | -64.1 | -25.1 | 0 | 0 | 0 | 116.6 | ||||
| 1055 | K | 25.5 | Very low | 25.3 | Very low | 212 Ų | 212 | 151.3 Ų | 151.3 | 92% | 0.922 | 77% | 0.766 | S | S | * | * | trans | -129.8 | 88.9 | 151.1 | -86.1 | -173.6 | 175.4 | 179.2 | 0 | 109.1 | ||||
| 1056 | E | 23.9 | Very low | 25.7 | Very low | 169 Ų | 169 | 146 Ų | 146 | 79% | 0.79 | 74% | 0.742 | S | S | * | * | trans | -69.4 | 157.8 | 152.9 | -73.9 | 178 | 151.6 | 0 | 0 | 109.4 | ||||
| 1057 | N | 26.5 | Very low | 25.9 | Very low | 142 Ų | 142 | 144.7 Ų | 144.7 | 76% | 0.759 | 73% | 0.732 | S | S | * | * | trans | 85.1 | 87 | 171.5 | -51.1 | -29 | 0 | 0 | 0 | 116.2 | ||||
| 1058 | N | 26.8 | Very low | 26.2 | Very low | 159 Ų | 159 | 142 Ų | 142 | 85% | 0.85 | 72% | 0.719 | S | S | * | * | 162.4 | 73.1 | 128.5 | -81.2 | -13.6 | 0 | 0 | 0 | 109.9 | |||||
| 1059 | L | 24.6 | Very low | 26.6 | Very low | 163 Ų | 163 | 142.4 Ų | 142.4 | 85% | 0.853 | 72% | 0.717 | S | S | * | * | trans | -116.9 | 109.4 | 166.1 | -145.8 | 80.4 | 0 | 0 | 0 | 108.2 | S1061 | L1059-S1061 PolarHBondContact O-N 3.39Š| ||
| 1060 | P | 29.1 | Very low | 27 | Very low | 98 Ų | 98 | 135.7 Ų | 135.7 | 64% | 0.636 | 69% | 0.691 | S | S | * | * | trans | -68.1 | 124.2 | 171.3 | -5.9 | 20.9 | 0 | 0 | 0 | 108.9 | E1062 | P1060-E1062 PolarHBondContact O-N 2.96Š| ||
| 1061 | S | 31.8 | Very low | 27.4 | Very low | 85 Ų | 85 | 134.5 Ų | 134.5 | 59% | 0.594 | 68% | 0.679 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -80.9 | 80.2 | -176.9 | 57.9 | 0 | 0 | 0 | 0 | 111 | L1059 | L1059-S1061 PolarHBondContact O-N 3.39Š|
| 1062 | E | 34 | Very low | 27.7 | Very low | 136 Ų | 136 | 136 Ų | 136 | 64% | 0.636 | 67% | 0.671 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -162.7 | -6.8 | 151.3 | -112.2 | 176.8 | -153.5 | 0 | 0 | 113.4 | R322 P1060 F1064 | R322-E1062 IonicContact CZ-OE2 3.98Å; R322-E1062 IonicContact NH2-OE2 3.82Å; R322-E1062 PolarHBondContact NH2-OE2 3.42Å; P1060-E1062 PolarHBondContact O-N 2.96Å; E1062-F1064 PolarHBondContact O-N 3.27Å |
| 1063 | D | 28.3 | Very low | 28.4 | Very low | 93 Ų | 93 | 130.9 Ų | 130.9 | 50% | 0.497 | 65% | 0.65 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -69.9 | 2.7 | 176.4 | -76 | -13 | 0 | 0 | 0 | 115 | I1066 R1067 | D1063-I1066 PolarHBondContact O-N 3.18Å; D1063-R1067 WeakPolarHBondContact O-CB 3.48Å; D1063-R1067 PolarHBondContact O-N 3.36Å |
| 1064 | F | 30.4 | Very low | 28.6 | Very low | 130 Ų | 130 | 130.9 Ų | 130.9 | 57% | 0.57 | 65% | 0.645 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -78.7 | -29.9 | -174.7 | -155.5 | -96 | 0 | 0 | 0 | 113.8 | Y228 E1062 I1066 | Y228-F1064 HydrophobicContact CE2-CZ 4.33Å; E1062-F1064 PolarHBondContact O-N 3.27Å; F1064-I1066 VanDerWaalsContact C-N 3.33Å |
| 1065 | M | 27.8 | Very low | 28.8 | Very low | 159 Ų | 159 | 130.4 Ų | 130.4 | 78% | 0.783 | 64% | 0.643 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -76.7 | -22.5 | 173.9 | -75.4 | -78.9 | -79.4 | 0 | 0 | 112.3 | ||
| 1066 | I | 32.3 | Very low | 28.8 | Very low | 57 Ų | 57 | 127.8 Ų | 127.8 | 29% | 0.292 | 64% | 0.638 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -95.1 | -29.2 | -176.9 | -57.7 | 179.8 | 0 | 0 | 0 | 111.4 | D1063 F1064 Q1068 N1069 L1070 | D1063-I1066 PolarHBondContact O-N 3.18Å; F1064-I1066 VanDerWaalsContact C-N 3.33Å; I1066-Q1068 PolarHBondContact O-N 2.93Å; I1066-Q1068 VanDerWaalsContact O-N 3.14Å; I1066-N1069 PolarHBondContact O-N 3.42Å; I1066-L1070 HydrophobicContact CG2-CD1 4.31Å; I1066-L1070 PolarHBondContact O-N 3.43Å |
| 1067 | R | 26.5 | Very low | 29.1 | Very low | 170 Ų | 170 | 127 Ų | 127 | 64% | 0.642 | 64% | 0.64 | S | S | * | * | H | α-helix | trans | -61.7 | -23 | 175.9 | -119.8 | -179.5 | -177.6 | -159.9 | 0.2 | 114.3 | D1063 N1069 L1070 I1071 | D1063-R1067 WeakPolarHBondContact O-CB 3.48Å; D1063-R1067 PolarHBondContact O-N 3.36Å; R1067-N1069 PolarHBondContact O-N 3.15Å; R1067-L1070 PolarHBondContact O-N 3.14Å; R1067-I1071 PolarHBondContact O-N 2.68Å |
| 1068 | Q | 30.5 | Very low | 29.3 | Very low | 127 Ų | 127 | 129 Ų | 129 | 59% | 0.593 | 64% | 0.644 | S | S | * | * | H | α-helix | trans | -63.6 | -27.4 | 171.4 | -87.3 | -171.4 | -14.6 | 0 | 0 | 112.7 | I1066 | I1066-Q1068 PolarHBondContact O-N 2.93Å; I1066-Q1068 VanDerWaalsContact O-N 3.14Å |
| 1069 | N | 32.6 | Very low | 29.5 | Very low | 122 Ų | 122 | 130.7 Ų | 130.7 | 65% | 0.652 | 64% | 0.644 | S | S | * | * | H | α-helix | trans | -88.4 | -21.6 | 176.8 | -68.9 | -14.6 | 0 | 0 | 0 | 112.9 | I1066 R1067 Y1072 | I1066-N1069 PolarHBondContact O-N 3.42Å; R1067-N1069 PolarHBondContact O-N 3.15Å; N1069-Y1072 WeakPolarHBondContact O-CB 3.31Å |
| 1070 | L | 27.5 | Very low | 29.6 | Very low | 79 Ų | 79 | 130.1 Ų | 130.1 | 41% | 0.414 | 64% | 0.642 | S | S | . | * | H | α-helix | trans | -92.3 | -18.3 | -173.1 | -100.6 | 155.4 | 0 | 0 | 0 | 115.7 | E983 I1066 R1067 Y1072 | E983-L1070 WeakPolarHBondContact OE1-CD1 3.34Å; I1066-L1070 HydrophobicContact CG2-CD1 4.31Å; I1066-L1070 PolarHBondContact O-N 3.43Å; R1067-L1070 PolarHBondContact O-N 3.14Å; L1070-Y1072 PolarHBondContact O-N 3.38Å |
| 1071 | I | 30.7 | Very low | 29.6 | Very low | 94 Ų | 94 | 132.6 Ų | 132.6 | 48% | 0.482 | 66% | 0.655 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -75.7 | -16.8 | 168.9 | -56.3 | 178.1 | 0 | 0 | 0 | 110.9 | M482 R1067 Y1073 | M482-I1071 HydrophobicContact CE-CB 4.09Å; M482-I1071 HydrophobicContact CE-CD1 4.44Å; M482-I1071 HydrophobicContact CE-CG2 3.46Å; M482-I1071 VanDerWaalsContact CE-CG2 3.46Å; M482-I1071 HydrophobicContact SD-CG2 4.27Å; R1067-I1071 PolarHBondContact O-N 2.68Å; I1071-Y1073 VanDerWaalsContact C-N 3.27Å; I1071-Y1073 PolarHBondContact O-N 2.76Å |
| 1072 | Y | 28.1 | Very low | 29.6 | Very low | 132 Ų | 132 | 138.3 Ų | 138.3 | 52% | 0.518 | 67% | 0.669 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -65.1 | -23.9 | -179.5 | -165.7 | -87.2 | 0 | 0 | 0 | 113.7 | M485 N1069 L1070 | M485-Y1072 HydrophobicContact SD-CD2 3.95Å; M485-Y1072 HydrophobicContact SD-CE2 4.18Å; N1069-Y1072 WeakPolarHBondContact O-CB 3.31Å; L1070-Y1072 PolarHBondContact O-N 3.38Å |
| 1073 | Y | 32.8 | Very low | 29.5 | Very low | 129 Ų | 129 | 141.3 Ų | 141.3 | 51% | 0.506 | 68% | 0.68 | S | S | . | * | S | Bend | trans | -119.6 | -5.8 | -168.1 | -80.9 | -69.2 | 0 | 0 | 0 | 118.5 | I1071 D1160 | I1071-Y1073 VanDerWaalsContact C-N 3.27Å; I1071-Y1073 PolarHBondContact O-N 2.76Å; Y1073-D1160 WeakPolarHBondContact CE1-OD2 3.44Å |
| 1074 | N | 28.2 | Very low | 29.5 | Very low | 132 Ų | 132 | 143.9 Ų | 143.9 | 71% | 0.706 | 69% | 0.693 | S | S | * | * | S | Bend | trans | -99.7 | 8.1 | -175.1 | -87.2 | -23 | 0 | 0 | 0 | 116.7 | ||
| 1075 | N | 26.3 | Very low | 29.4 | Very low | 150 Ų | 150 | 145.3 Ų | 145.3 | 80% | 0.802 | 71% | 0.706 | S | S | * | * | trans | -126 | 26.6 | -179.8 | -79.9 | -27.2 | 0 | 0 | 0 | 115.2 | D1077 | N1075-D1077 VanDerWaalsContact C-N 3.35Å; N1075-D1077 PolarHBondContact O-N 2.88Å | ||
| 1076 | L | 26.3 | Very low | 29.6 | Very low | 157 Ų | 157 | 145.6 Ų | 145.6 | 82% | 0.822 | 71% | 0.711 | S | S | * | * | trans | -93.6 | 68.9 | 165.1 | -93.6 | 142.6 | 0 | 0 | 0 | 109.6 | ||||
| 1077 | D | 29.7 | Very low | 29.4 | Very low | 154 Ų | 154 | 154 Ų | 154 | 82% | 0.824 | 74% | 0.739 | S | S | * | * | trans | -124 | 131.3 | 165.9 | -117.8 | -17.5 | 0 | 0 | 0 | 110.2 | N1075 K1079 | N1075-D1077 VanDerWaalsContact C-N 3.35Å; N1075-D1077 PolarHBondContact O-N 2.88Å; D1077-K1079 PolarHBondContact O-N 2.9Å | ||
| 1078 | Q | 31 | Very low | 29.4 | Very low | 182 Ų | 182 | 156.4 Ų | 156.4 | 85% | 0.85 | 75% | 0.75 | S | S | * | * | S | Bend | trans | -50.6 | 116.3 | -165.5 | -62.4 | 169.6 | -10.5 | 0 | 0 | 114.2 | ||
| 1079 | K | 30.4 | Very low | 29.4 | Very low | 196 Ų | 196 | 159.3 Ų | 159.3 | 85% | 0.852 | 76% | 0.763 | S | S | * | * | trans | 174.1 | 94.9 | 146.9 | -99 | 161.8 | -172.9 | -178.9 | 0 | 110.2 | D1077 | D1077-K1079 PolarHBondContact O-N 2.9Š| ||
| 1080 | N | 27.4 | Very low | 29.3 | Very low | 150 Ų | 150 | 161 Ų | 161 | 80% | 0.802 | 77% | 0.772 | S | S | * | * | trans | -169.7 | 17.9 | 149.8 | -97.6 | -21.4 | 0 | 0 | 0 | 117.2 | K1082 | N1080-K1082 PolarHBondContact O-N 3.11Š| ||
| 1081 | T | 28.6 | Very low | 29.2 | Very low | 150 Ų | 150 | 165.9 Ų | 165.9 | 92% | 0.92 | 80% | 0.798 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -74.7 | 21.7 | -177.6 | -8.4 | 0 | 0 | 0 | 0 | 116.4 | ||
| 1082 | K | 31.3 | Very low | 29 | Very low | 206 Ų | 206 | 166.6 Ų | 166.6 | 90% | 0.896 | 81% | 0.811 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -134.5 | 16.8 | -178.2 | -89.4 | -169.3 | 179.1 | 179 | 0 | 118.1 | N1080 | N1080-K1082 PolarHBondContact O-N 3.11Š|
| 1083 | K | 32.4 | Very low | 28.9 | Very low | 199 Ų | 199 | 168.2 Ų | 168.2 | 87% | 0.865 | 83% | 0.828 | S | S | * | * | S | Bend | trans | -134.4 | 19.1 | 179.6 | -106 | -178.7 | -177.2 | 177.4 | 0 | 119.3 | ||
| 1084 | I | 28 | Very low | 28.6 | Very low | 147 Ų | 147 | 170.4 Ų | 170.4 | 75% | 0.754 | 84% | 0.844 | S | S | * | * | trans | -123.6 | 60.1 | 174.9 | -46.6 | 178.6 | 0 | 0 | 0 | 111 | ||||
| 1085 | N | 30 | Very low | 28.5 | Very low | 160 Ų | 160 | 174.2 Ų | 174.2 | 86% | 0.856 | 85% | 0.85 | S | S | * | * | S | Bend | trans | -123.7 | 10.5 | 168.7 | -104.2 | -2.7 | 0 | 0 | 0 | 114.6 | ||
| 1086 | N | 31.5 | Very low | 28.6 | Very low | 165 Ų | 165 | 173.5 Ų | 173.5 | 88% | 0.882 | 85% | 0.853 | S | S | * | * | S | Bend | trans | -132.4 | 35.3 | -177 | -84.5 | -14.1 | 0 | 0 | 0 | 115.2 | ||
| 1087 | R | 28.2 | Very low | 28.5 | Very low | 234 Ų | 234 | 176 Ų | 176 | 88% | 0.883 | 85% | 0.853 | S | S | * | * | S | Bend | trans | -141.4 | 27.4 | 173.9 | -129.5 | -179 | -163.6 | -175.3 | 3.9 | 118 | ||
| 1088 | Y | 26.1 | Very low | 28.4 | Very low | 220 Ų | 220 | 175.4 Ų | 175.4 | 86% | 0.863 | 85% | 0.85 | S | S | * | * | trans | -128.3 | 76 | 167.3 | -75.7 | -79.1 | 0 | 0 | 0 | 110.1 | ||||
| 1089 | Q | 30.9 | Very low | 28.3 | Very low | 188 Ų | 188 | 174 Ų | 174 | 88% | 0.879 | 85% | 0.848 | S | S | * | * | trans | -142.8 | 10.4 | 167.8 | -123.1 | -178.5 | 6.5 | 0 | 0 | 115.4 | ||||
| 1090 | D | 30.2 | Very low | 28.2 | Very low | 157 Ų | 157 | 170 Ų | 170 | 84% | 0.84 | 84% | 0.84 | S | S | * | * | S | Bend | trans | -127.8 | 94.9 | 171.8 | -81.9 | -36.2 | 0 | 0 | 0 | 108.6 | ||
| 1091 | L | 25.9 | Very low | 28.1 | Very low | 182 Ų | 182 | 170.4 Ų | 170.4 | 95% | 0.953 | 84% | 0.841 | S | S | * | * | trans | 172 | 63.6 | 154.9 | -91 | 157.2 | 0 | 0 | 0 | 110.2 | ||||
| 1092 | S | 25.8 | Very low | 27.9 | Very low | 109 Ų | 109 | 170.6 Ų | 170.6 | 76% | 0.762 | 84% | 0.835 | S | S | * | * | trans | -152.9 | 51.4 | 167.7 | 58.5 | 0 | 0 | 0 | 0 | 112.3 | ||||
| 1093 | N | 26.4 | Very low | 27.7 | Very low | 165 Ų | 165 | 167.7 Ų | 167.7 | 88% | 0.882 | 83% | 0.83 | S | S | * | * | trans | -131.6 | 80.6 | 172.2 | -83.8 | -28.3 | 0 | 0 | 0 | 110.5 | ||||
| 1094 | Q | 26.7 | Very low | 27.4 | Very low | 176 Ų | 176 | 165.9 Ų | 165.9 | 82% | 0.822 | 83% | 0.829 | S | S | * | * | trans | -156.9 | 59.5 | 168.7 | -134.1 | 171.5 | 17.5 | 0 | 0 | 113.8 | ||||
| 1095 | Y | 25.3 | Very low | 27.3 | Very low | 212 Ų | 212 | 165.3 Ų | 165.3 | 83% | 0.831 | 83% | 0.832 | S | S | * | * | trans | -146 | 111.8 | 159.7 | -75 | -73.1 | 0 | 0 | 0 | 110.4 | Y1097 | Y1095-Y1097 PolarHBondContact O-N 3.27Š| ||
| 1096 | P | 27.8 | Very low | 26.9 | Very low | 135 Ų | 135 | 164 Ų | 164 | 88% | 0.877 | 82% | 0.824 | S | S | * | * | trans | -82.4 | 100.9 | 175.8 | 31.9 | -27 | 0 | 0 | 0 | 108.5 | ||||
| 1097 | Y | 25.7 | Very low | 26.6 | Very low | 210 Ų | 210 | 164.1 Ų | 164.1 | 82% | 0.824 | 82% | 0.819 | S | S | * | * | trans | -87.7 | 125.9 | 170.9 | -105 | -91.2 | 0 | 0 | 0 | 110 | Y1095 | Y1095-Y1097 PolarHBondContact O-N 3.27Š| ||
| 1098 | D | 27 | Very low | 26.5 | Very low | 140 Ų | 140 | 161.7 Ų | 161.7 | 75% | 0.749 | 82% | 0.818 | S | S | * | * | trans | -66.3 | 129.9 | 178 | -166.1 | -10.8 | 0 | 0 | 0 | 110.9 | ||||
| 1099 | N | 28.6 | Very low | 26.3 | Very low | 153 Ų | 153 | 162.9 Ų | 162.9 | 82% | 0.818 | 82% | 0.821 | S | S | * | * | trans | -109.7 | 31.5 | -153.1 | -125.4 | -2.1 | 0 | 0 | 0 | 113 | ||||
| 1100 | T | 27.7 | Very low | 25.9 | Very low | 111 Ų | 111 | 160 Ų | 160 | 68% | 0.681 | 82% | 0.818 | S | S | * | * | trans | -111.4 | 8.6 | -168.6 | 51.4 | 0 | 0 | 0 | 0 | 116.1 | ||||
| 1101 | L | 26.2 | Very low | 25.7 | Very low | 159 Ų | 159 | 157.5 Ų | 157.5 | 83% | 0.832 | 81% | 0.813 | S | S | * | * | S | Bend | trans | -124.9 | 100.5 | 163.1 | -93.2 | 99.3 | 0 | 0 | 0 | 110 | ||
| 1102 | I | 25.3 | Very low | 25.5 | Very low | 155 Ų | 155 | 159.9 Ų | 159.9 | 80% | 0.795 | 81% | 0.811 | S | S | * | * | trans | 147 | 70.5 | 154.8 | -70.8 | 151.4 | 0 | 0 | 0 | 106.1 | ||||
| 1103 | N | 26.3 | Very low | 25.5 | Very low | 145 Ų | 145 | 162.1 Ų | 162.1 | 78% | 0.775 | 81% | 0.813 | S | S | * | * | trans | -107.3 | 20 | 174.7 | -122 | -4.3 | 0 | 0 | 0 | 112.6 | ||||
| 1104 | N | 26.4 | Very low | 25.3 | Very low | 161 Ų | 161 | 162.7 Ų | 162.7 | 86% | 0.861 | 81% | 0.81 | S | S | * | * | S | Bend | trans | -139.7 | 27.4 | -174.2 | -85.1 | -21.1 | 0 | 0 | 0 | 116.2 | ||
| 1105 | V | 24.6 | Very low | 25.1 | Very low | 134 Ų | 134 | 162.1 Ų | 162.1 | 81% | 0.812 | 81% | 0.81 | S | S | * | * | trans | -140.6 | 76.8 | 161.9 | -168.4 | 0 | 0 | 0 | 0 | 110 | ||||
| 1106 | I | 21.8 | Very low | 25.1 | Very low | 134 Ų | 134 | 157.8 Ų | 157.8 | 69% | 0.687 | 81% | 0.806 | S | S | * | * | trans | -100.5 | 116.6 | 163.7 | -65.4 | 172.2 | 0 | 0 | 0 | 105.8 | ||||
| 1107 | H | 26.4 | Very low | 24.8 | Very low | 167 Ų | 167 | 160.6 Ų | 160.6 | 77% | 0.773 | 81% | 0.808 | S | S | * | * | 178.8 | 130.3 | 124 | -94.6 | -68.9 | 0 | 0 | 0 | 110.8 | |||||
| 1108 | E | 24.7 | Very low | 24.8 | Very low | 183 Ų | 183 | 160.2 Ų | 160.2 | 86% | 0.855 | 81% | 0.81 | S | S | * | * | trans | 83.4 | 91.3 | 158.8 | -62.5 | -178.5 | -179.5 | 0 | 0 | 119.2 | ||||
| 1109 | R | 21.9 | Very low | 24.6 | Very low | 245 Ų | 245 | 162.3 Ų | 162.3 | 93% | 0.925 | 82% | 0.816 | S | S | * | * | P | Polyproline II helix | trans | -86.7 | 121 | 168.6 | -177.6 | -171.4 | -92.9 | -173.4 | -7.7 | 108.9 | ||
| 1110 | P | 24.1 | Very low | 24.2 | Very low | 126 Ų | 126 | 165.2 Ų | 165.2 | 82% | 0.818 | 82% | 0.821 | S | S | * | * | P | Polyproline II helix | trans | -83.5 | 125.3 | 170.9 | 1.8 | 15.8 | 0 | 0 | 0 | 110.3 | ||
| 1111 | S | 25.2 | Very low | 24.1 | Very low | 106 Ų | 106 | 166.8 Ų | 166.8 | 74% | 0.741 | 82% | 0.824 | S | S | * | * | P | Polyproline II helix | trans | -75.1 | 139 | 177.6 | 43 | 0 | 0 | 0 | 0 | 113.1 | ||
| 1112 | Y | 22.3 | Very low | 24 | Very low | 232 Ų | 232 | 168.5 Ų | 168.5 | 91% | 0.91 | 83% | 0.828 | S | S | * | * | trans | -28 | 128.1 | 170.7 | -73 | -96.9 | 0 | 0 | 0 | 116.9 | ||||
| 1113 | I | 24.6 | Very low | 24.1 | Very low | 156 Ų | 156 | 168.7 Ų | 168.7 | 80% | 0.8 | 83% | 0.831 | S | S | * | * | trans | -92.3 | 108.3 | 169.2 | -65.9 | 171.2 | 0 | 0 | 0 | 108.2 | ||||
| 1114 | H | 22.6 | Very low | 24.2 | Very low | 177 Ų | 177 | 169.3 Ų | 169.3 | 82% | 0.819 | 83% | 0.834 | S | S | * | * | trans | -72.2 | 123.4 | 162.7 | -104.8 | -81.5 | 0 | 0 | 0 | 109 | ||||
| 1115 | I | 23.4 | Very low | 24.4 | Very low | 163 Ų | 163 | 166.9 Ų | 166.9 | 84% | 0.836 | 83% | 0.827 | S | S | * | * | trans | -90.2 | 106.3 | 173.2 | -61 | 172.9 | 0 | 0 | 0 | 107.2 | ||||
| 1116 | T | 24 | Very low | 24.5 | Very low | 121 Ų | 121 | 170 Ų | 170 | 74% | 0.742 | 83% | 0.83 | S | S | * | * | P | Polyproline II helix | trans | -94.2 | 130.9 | 175.2 | -18.1 | 0 | 0 | 0 | 0 | 109.6 | K1118 | T1116-K1118 PolarHBondContact O-N 3.01Š|
| 1117 | E | 21.5 | Very low | 24.6 | Very low | 194 Ų | 194 | 170.9 Ų | 170.9 | 91% | 0.907 | 83% | 0.834 | S | S | * | * | P | Polyproline II helix | trans | -53.1 | 123.4 | 176.3 | -70.7 | 171.1 | 146.8 | 0 | 0 | 111.6 | ||
| 1118 | K | 26.4 | Very low | 24.6 | Very low | 202 Ų | 202 | 171.1 Ų | 171.1 | 88% | 0.878 | 84% | 0.839 | S | S | * | * | P | Polyproline II helix | trans | -94 | 121.1 | 175.6 | -86.2 | -175.2 | 175 | -178.8 | 0 | 110.7 | T1116 | T1116-K1118 PolarHBondContact O-N 3.01Š|
| 1119 | Q | 22.8 | Very low | 24.6 | Very low | 184 Ų | 184 | 169.3 Ų | 169.3 | 86% | 0.86 | 84% | 0.835 | S | S | * | * | P | Polyproline II helix | trans | -59.6 | 142.2 | 168.3 | -72.2 | 169.3 | -52.5 | 0 | 0 | 112 | ||
| 1120 | F | 19.9 | Very low | 24.6 | Very low | 215 Ų | 215 | 167.3 Ų | 167.3 | 94% | 0.943 | 83% | 0.833 | S | S | * | * | P | Polyproline II helix | trans | -63.7 | 127.9 | 169.4 | -81.2 | -101.4 | 0 | 0 | 0 | 110.6 | ||
| 1121 | I | 26.1 | Very low | 24.7 | Very low | 144 Ų | 144 | 170.5 Ų | 170.5 | 74% | 0.738 | 84% | 0.837 | S | S | * | * | trans | -118.3 | 124.4 | 166.9 | -66.9 | 176.6 | 0 | 0 | 0 | 106.6 | ||||
| 1122 | E | 23.1 | Very low | 24.6 | Very low | 194 Ų | 194 | 170.4 Ų | 170.4 | 91% | 0.907 | 84% | 0.836 | S | S | * | * | P | Polyproline II helix | trans | -70.3 | 119.5 | 174.8 | -69.6 | 174.5 | 145.9 | 0 | 0 | 109.8 | ||
| 1123 | D | 29.1 | Very low | 24.7 | Very low | 160 Ų | 160 | 170.7 Ų | 170.7 | 86% | 0.856 | 84% | 0.838 | S | S | * | * | P | Polyproline II helix | trans | -95 | 128.1 | 175.7 | -85.2 | -36.6 | 0 | 0 | 0 | 111.5 | ||
| 1124 | D | 26.6 | Very low | 24.7 | Very low | 158 Ų | 158 | 171.8 Ų | 171.8 | 85% | 0.845 | 84% | 0.84 | S | S | * | * | P | Polyproline II helix | trans | -74.2 | 141.6 | -179.2 | -132.5 | -9.8 | 0 | 0 | 0 | 111.7 | ||
| 1125 | P | 32.5 | Very low | 24.8 | Very low | 110 Ų | 110 | 171.1 Ų | 171.1 | 71% | 0.714 | 84% | 0.842 | S | S | * | * | P | Polyproline II helix | trans | -93.3 | 125 | -166 | 34.5 | -29.8 | 0 | 0 | 0 | 112.8 | ||
| 1126 | K | 25.4 | Very low | 24.9 | Very low | 199 Ų | 199 | 172.7 Ų | 172.7 | 87% | 0.865 | 84% | 0.843 | S | S | * | * | trans | -134.6 | 98.1 | 167.3 | -77.3 | -173.8 | 179.4 | 173.8 | 0 | 113 | ||||
| 1127 | I | 23.8 | Very low | 24.8 | Very low | 153 Ų | 153 | 172.3 Ų | 172.3 | 79% | 0.785 | 85% | 0.845 | S | S | * | * | trans | 21.7 | 107 | 132.8 | -50.7 | 170.2 | 0 | 0 | 0 | 116.4 | ||||
| 1128 | I | 26.8 | Very low | 25 | Very low | 171 Ų | 171 | 169.9 Ų | 169.9 | 88% | 0.877 | 84% | 0.837 | S | S | * | * | trans | -139 | 139.2 | 145.1 | -70.7 | 179 | 0 | 0 | 0 | 108.7 | ||||
| 1129 | D | 25 | Very low | 24.9 | Very low | 145 Ų | 145 | 167.8 Ų | 167.8 | 78% | 0.775 | 83% | 0.834 | S | S | * | * | trans | -68 | 156.8 | -162 | -77.5 | -58.8 | 0 | 0 | 0 | 117.9 | ||||
| 1130 | K | 22.4 | Very low | 24.9 | Very low | 203 Ų | 203 | 167.5 Ų | 167.5 | 88% | 0.883 | 83% | 0.832 | S | S | * | * | trans | -63.2 | 124 | 176.5 | -64.7 | 166.5 | 173.5 | 173.5 | 0 | 112 | ||||
| 1131 | E | 24.9 | Very low | 25.1 | Very low | 194 Ų | 194 | 162 Ų | 162 | 91% | 0.907 | 82% | 0.821 | S | S | * | * | trans | -126.7 | 131.4 | 146.5 | -81.7 | -170.3 | 165.3 | 0 | 0 | 110.5 | ||||
| 1132 | S | 23.2 | Very low | 25 | Very low | 103 Ų | 103 | 160.7 Ų | 160.7 | 72% | 0.72 | 82% | 0.821 | S | S | * | * | trans | -67.2 | 126.2 | -171.3 | 47.5 | 0 | 0 | 0 | 0 | 113.7 | ||||
| 1133 | Y | 24.7 | Very low | 25.1 | Very low | 239 Ų | 239 | 159.6 Ų | 159.6 | 94% | 0.937 | 82% | 0.821 | S | S | * | * | trans | -128.9 | 118 | 150.6 | -97.8 | -86 | 0 | 0 | 0 | 109.5 | ||||
| 1134 | E | 24.4 | Very low | 24.9 | Very low | 179 Ų | 179 | 159.1 Ų | 159.1 | 84% | 0.836 | 82% | 0.817 | S | S | * | * | trans | -68.5 | 127.6 | -174.9 | -69.4 | 174.3 | 136.7 | 0 | 0 | 112.7 | ||||
| 1135 | N | 24.9 | Very low | 24.8 | Very low | 162 Ų | 162 | 156.8 Ų | 156.8 | 87% | 0.866 | 81% | 0.81 | S | S | * | * | trans | 36.2 | 82.9 | 133.9 | -65.9 | -17.2 | 0 | 0 | 0 | 118.2 | ||||
| 1136 | K | 25 | Very low | 24.4 | Very low | 196 Ų | 196 | 160.3 Ų | 160.3 | 85% | 0.852 | 82% | 0.817 | S | S | * | * | trans | -106.7 | 104 | 142.1 | -83.9 | -177 | 177 | 177.4 | 0 | 108.5 | I1138 | K1136-I1138 VanDerWaalsContact C-N 3.32Å; K1136-I1138 PolarHBondContact O-N 3.16Å | ||
| 1137 | S | 23.5 | Very low | 24.3 | Very low | 114 Ų | 114 | 158.7 Ų | 158.7 | 80% | 0.797 | 82% | 0.817 | S | S | * | * | trans | -63.4 | 89.4 | 171.9 | 53.7 | 0 | 0 | 0 | 0 | 109.9 | I1139 | S1137-I1139 PolarHBondContact O-N 3.38Š| ||
| 1138 | I | 24.6 | Very low | 24.4 | Very low | 143 Ų | 143 | 160.9 Ų | 160.9 | 73% | 0.733 | 82% | 0.821 | S | S | * | * | trans | -77.2 | 110.9 | 163.7 | -64.2 | 172.4 | 0 | 0 | 0 | 105.4 | K1136 E1140 | K1136-I1138 VanDerWaalsContact C-N 3.32Å; K1136-I1138 PolarHBondContact O-N 3.16Å; I1138-E1140 VanDerWaalsContact C-N 3.33Å; I1138-E1140 PolarHBondContact O-N 3.47Å | ||
| 1139 | I | 24.5 | Very low | 24.4 | Very low | 158 Ų | 158 | 159.9 Ų | 159.9 | 81% | 0.81 | 81% | 0.813 | S | S | * | * | trans | -67.2 | 98 | 168.9 | -65.4 | 169.9 | 0 | 0 | 0 | 105.7 | S1137 S1141 | S1137-I1139 PolarHBondContact O-N 3.38Å; I1139-S1141 PolarHBondContact O-N 3.37Å; I1139-S1141 VanDerWaalsContact O-N 3.08Å | ||
| 1140 | E | 23.2 | Very low | 24.4 | Very low | 177 Ų | 177 | 159.4 Ų | 159.4 | 83% | 0.827 | 81% | 0.806 | S | S | * | * | trans | -63.6 | 104 | 167.3 | -79.1 | 179.9 | 157.1 | 0 | 0 | 108.3 | I1138 | I1138-E1140 VanDerWaalsContact C-N 3.33Å; I1138-E1140 PolarHBondContact O-N 3.47Å | ||
| 1141 | S | 22.9 | Very low | 24.8 | Very low | 101 Ų | 101 | 153.5 Ų | 153.5 | 71% | 0.706 | 79% | 0.79 | S | S | * | * | trans | -60.5 | 125.7 | 163.8 | 45.8 | 0 | 0 | 0 | 0 | 108.6 | I1139 L1143 | I1139-S1141 PolarHBondContact O-N 3.37Å; I1139-S1141 VanDerWaalsContact O-N 3.08Å; S1141-L1143 PolarHBondContact O-N 3.3Å | ||
| 1142 | P | 25.7 | Very low | 25.3 | Very low | 115 Ų | 115 | 148.2 Ų | 148.2 | 75% | 0.747 | 77% | 0.767 | S | S | * | * | trans | -63 | 125.2 | -173.2 | 24.6 | -32 | 0 | 0 | 0 | 110.1 | I1144 | P1142-I1144 PolarHBondContact O-N 2.96Š| ||
| 1143 | L | 24.4 | Very low | 25.8 | Very low | 172 Ų | 172 | 150 Ų | 150 | 90% | 0.901 | 77% | 0.769 | S | S | * | * | trans | -53.9 | 99.2 | 171.2 | -157.9 | 83.5 | 0 | 0 | 0 | 108.6 | S1141 P1145 | S1141-L1143 PolarHBondContact O-N 3.3Å; L1143-P1145 WeakPolarHBondContact O-CD 3.42Å | ||
| 1144 | I | 25.6 | Very low | 26.2 | Very low | 149 Ų | 149 | 142.9 Ų | 142.9 | 76% | 0.764 | 74% | 0.744 | S | S | * | * | P | Polyproline II helix | trans | -70.1 | 117.6 | 173.1 | -61.3 | 169.9 | 0 | 0 | 0 | 105.7 | P1142 E1146 | P1142-I1144 PolarHBondContact O-N 2.96Å; I1144-E1146 PolarHBondContact O-N 3.47Å |
| 1145 | P | 24.4 | Very low | 26.5 | Very low | 109 Ų | 109 | 139.2 Ų | 139.2 | 71% | 0.708 | 73% | 0.729 | S | S | * | * | P | Polyproline II helix | trans | -65.8 | 120.9 | 176.9 | -6.9 | 21 | 0 | 0 | 0 | 108 | L1143 L1147 | L1143-P1145 WeakPolarHBondContact O-CD 3.42Å; P1145-L1147 PolarHBondContact O-N 3.4Å |
| 1146 | E | 23.3 | Very low | 26.8 | Very low | 185 Ų | 185 | 139.9 Ų | 139.9 | 86% | 0.864 | 72% | 0.721 | S | S | * | * | P | Polyproline II helix | trans | -51.7 | 121.9 | 168.7 | -75.4 | 177 | 150 | 0 | 0 | 108.9 | I1144 K1148 | I1144-E1146 PolarHBondContact O-N 3.47Å; E1146-K1148 PolarHBondContact O-N 3.44Å |
| 1147 | L | 24.3 | Very low | 27.2 | Very low | 165 Ų | 165 | 132.9 Ų | 132.9 | 86% | 0.864 | 70% | 0.704 | S | S | * | * | trans | -60.3 | 108.4 | 161.7 | -96.7 | 104.7 | 0 | 0 | 0 | 106.5 | P1145 E1149 | P1145-L1147 PolarHBondContact O-N 3.4Å; L1147-E1149 VanDerWaalsContact C-N 3.33Å; L1147-E1149 PolarHBondContact O-N 3.44Å | ||
| 1148 | K | 24.3 | Very low | 27.5 | Very low | 198 Ų | 198 | 130.6 Ų | 130.6 | 86% | 0.861 | 68% | 0.68 | S | S | * | * | trans | -62.2 | 100.4 | 161.7 | -76.3 | -175.9 | 175 | -177.1 | 0 | 107.1 | E1146 E1150 | E1146-K1148 PolarHBondContact O-N 3.44Å; K1148-E1150 PolarHBondContact O-N 2.71Å | ||
| 1149 | E | 27.5 | Very low | 27.9 | Very low | 151 Ų | 151 | 128 Ų | 128 | 71% | 0.706 | 67% | 0.667 | S | S | * | * | trans | -61.9 | 111.4 | 162.4 | -70.7 | -179.3 | 160.6 | 0 | 0 | 107 | K942 L1147 | K942-E1149 IonicContact NZ-OE2 3.31Å; K942-E1149 PolarHBondContact NZ-OE2 2.84Å; L1147-E1149 VanDerWaalsContact C-N 3.33Å; L1147-E1149 PolarHBondContact O-N 3.44Å | ||
| 1150 | E | 25.5 | Very low | 28.3 | Very low | 135 Ų | 135 | 125.4 Ų | 125.4 | 63% | 0.631 | 65% | 0.654 | S | S | * | * | trans | -59.8 | 141.8 | 170.8 | -80 | 178.3 | 171.2 | 0 | 0 | 109.8 | K1148 K1158 | K1148-E1150 PolarHBondContact O-N 2.71Å; E1150-K1158 IonicContact OE2-NZ 2.98Å; E1150-K1158 PolarHBondContact OE2-NZ 3.3Å; E1150-K1158 VanDerWaalsContact OE2-NZ 3.07Å | ||
| 1151 | S | 29.4 | Very low | 28.8 | Very low | 78 Ų | 78 | 123.9 Ų | 123.9 | 55% | 0.545 | 64% | 0.642 | S | S | . | * | trans | -61 | 135.5 | -175.6 | 51.4 | 0 | 0 | 0 | 0 | 111.7 | D1153 E1154 | S1151-D1153 PolarHBondContact O-N 2.94Å; S1151-E1154 PolarHBondContact O-N 3.4Å | ||
| 1152 | I | 35.6 | Very low | 29.6 | Very low | 84 Ų | 84 | 123.9 Ų | 123.9 | 43% | 0.431 | 63% | 0.634 | S | S | . | * | H | α-helix | trans | -60.2 | -16.2 | -175.2 | -70.3 | 167.4 | 0 | 0 | 0 | 113.6 | E1154 L1155 Y1156 | I1152-E1154 PolarHBondContact O-N 3.44Å; I1152-L1155 HydrophobicContact CB-CB 4.46Å; I1152-L1155 HydrophobicContact CG2-CB 4.35Å; I1152-L1155 CarbonylContact O-C 3.6Å; I1152-L1155 WeakPolarHBondContact O-CA 3.32Å; I1152-L1155 WeakPolarHBondContact O-CB 3.48Å; I1152-L1155 PolarHBondContact O-N 3.47Å; I1152-Y1156 HydrophobicContact CG2-CD2 3.47Å; I1152-Y1156 VanDerWaalsContact CG2-CD2 3.47Å; I1152-Y1156 HydrophobicContact CG2-CE2 3.28Å; I1152-Y1156 WeakPolarHBondContact O-CD2 3.28Å; I1152-Y1156 PolarHBondContact O-N 3.43Å |
| 1153 | D | 33.9 | Very low | 30.3 | Very low | 141 Ų | 141 | 120.7 Ų | 120.7 | 75% | 0.754 | 61% | 0.613 | S | S | * | * | H | α-helix | trans | -62.3 | -31.7 | 170.2 | -62.4 | -29 | 0 | 0 | 0 | 111.9 | S1151 G1157 | S1151-D1153 PolarHBondContact O-N 2.94Å; D1153-G1157 PolarHBondContact O-N 3.19Å |
| 1154 | E | 33.5 | Very low | 31.1 | Very low | 88 Ų | 88 | 119.7 Ų | 119.7 | 41% | 0.411 | 60% | 0.599 | S | S | . | * | H | α-helix | trans | -74.8 | -29.4 | 166.5 | -97 | -164.7 | 145.6 | 0 | 0 | 112.1 | S1151 I1152 G1157 K1158 | S1151-E1154 PolarHBondContact O-N 3.4Å; I1152-E1154 PolarHBondContact O-N 3.44Å; E1154-G1157 CarbonylContact O-C 3.39Å; E1154-G1157 PolarHBondContact O-N 3.22Å; E1154-K1158 HydrophobicContact CB-CD 4.32Å; E1154-K1158 WeakPolarHBondContact O-CB 3.32Å; E1154-K1158 WeakPolarHBondContact O-CG 3.49Å; E1154-K1158 PolarHBondContact O-N 3.07Å; E1154-K1158 IonicContact OE1-NZ 3.85Å; E1154-K1158 PolarHBondContact OE1-NZ 2.81Å; E1154-K1158 IonicContact OE2-NZ 3.69Å; E1154-K1158 PolarHBondContact OE2-NZ 3.42Å |
| 1155 | L | 30.4 | Very low | 32.1 | Very low | 103 Ų | 103 | 115.8 Ų | 115.8 | 54% | 0.539 | 58% | 0.579 | S | S | . | * | H | α-helix | trans | -70.6 | -37.3 | 179.5 | -166.1 | 70.3 | 0 | 0 | 0 | 112.1 | I1152 G1157 K1158 I1159 | I1152-L1155 HydrophobicContact CB-CB 4.46Å; I1152-L1155 HydrophobicContact CG2-CB 4.35Å; I1152-L1155 CarbonylContact O-C 3.6Å; I1152-L1155 WeakPolarHBondContact O-CA 3.32Å; I1152-L1155 WeakPolarHBondContact O-CB 3.48Å; I1152-L1155 PolarHBondContact O-N 3.47Å; L1155-G1157 VanDerWaalsContact C-N 3.32Å; L1155-K1158 PolarHBondContact O-N 3.47Å; L1155-I1159 WeakPolarHBondContact O-CG1 3.27Å; L1155-I1159 PolarHBondContact O-N 3.25Å; L1155-I1159 VanDerWaalsContact O-N 3.15Å |
| 1156 | Y | 31.8 | Very low | 32.9 | Very low | 175 Ų | 175 | 113.5 Ų | 113.5 | 69% | 0.686 | 56% | 0.564 | S | S | * | * | H | α-helix | trans | -70.4 | -29.5 | 172.5 | -75.9 | -67.9 | 0 | 0 | 0 | 112.3 | I1152 | I1152-Y1156 HydrophobicContact CG2-CD2 3.47Å; I1152-Y1156 VanDerWaalsContact CG2-CD2 3.47Å; I1152-Y1156 HydrophobicContact CG2-CE2 3.28Å; I1152-Y1156 WeakPolarHBondContact O-CD2 3.28Å; I1152-Y1156 PolarHBondContact O-N 3.43Å |
| 1157 | G | 33.7 | Very low | 33.8 | Very low | 49 Ų | 49 | 108.5 Ų | 108.5 | 51% | 0.505 | 54% | 0.54 | S | S | . | . | H | α-helix | trans | -76.4 | -22.4 | 168.3 | 0 | 0 | 0 | 0 | 0 | 114.7 | D1153 E1154 L1155 | D1153-G1157 PolarHBondContact O-N 3.19Å; E1154-G1157 CarbonylContact O-C 3.39Å; E1154-G1157 PolarHBondContact O-N 3.22Å; L1155-G1157 VanDerWaalsContact C-N 3.32Å |
| 1158 | K | 28.3 | Very low | 35.1 | Very low | 67 Ų | 67 | 104.2 Ų | 104.2 | 29% | 0.291 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -98.6 | -2.8 | -175.4 | -73.3 | 177.7 | 177.4 | 159.7 | 0 | 114.2 | E1150 E1154 L1155 D1160 Y1161 | E1150-K1158 IonicContact OE2-NZ 2.98Å; E1150-K1158 PolarHBondContact OE2-NZ 3.3Å; E1150-K1158 VanDerWaalsContact OE2-NZ 3.07Å; E1154-K1158 HydrophobicContact CB-CD 4.32Å; E1154-K1158 WeakPolarHBondContact O-CB 3.32Å; E1154-K1158 WeakPolarHBondContact O-CG 3.49Å; E1154-K1158 PolarHBondContact O-N 3.07Å; E1154-K1158 IonicContact OE1-NZ 3.85Å; E1154-K1158 PolarHBondContact OE1-NZ 2.81Å; E1154-K1158 IonicContact OE2-NZ 3.69Å; E1154-K1158 PolarHBondContact OE2-NZ 3.42Å; L1155-K1158 PolarHBondContact O-N 3.47Å; K1158-D1160 PolarHBondContact O-N 3.26Å; K1158-Y1161 HydrophobicContact CB-CD2 3.88Å; K1158-Y1161 HydrophobicContact CB-CE2 4.01Å; K1158-Y1161 HydrophobicContact CD-CE2 4.12Å; K1158-Y1161 HydrophobicContact CG-CD2 4.11Å; K1158-Y1161 HydrophobicContact CG-CE2 3.69Å; K1158-Y1161 WeakPolarHBondContact O-CD2 3.34Å; K1158-Y1161 PolarHBondContact O-N 3.04Å; K1158-Y1161 VanDerWaalsContact O-N 3.16Å |
| 1159 | I | 33.7 | Very low | 36.2 | Very low | 89 Ų | 89 | 101.3 Ų | 101.3 | 46% | 0.456 | 51% | 0.505 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -66.9 | -12.8 | 166.2 | -70.8 | 168.7 | 0 | 0 | 0 | 111.1 | L1155 Y1161 T1261 | L1155-I1159 WeakPolarHBondContact O-CG1 3.27Å; L1155-I1159 PolarHBondContact O-N 3.25Å; L1155-I1159 VanDerWaalsContact O-N 3.15Å; I1159-Y1161 PolarHBondContact O-N 3.17Å; I1159-T1261 HydrophobicContact CG2-CG2 4.29Å |
| 1160 | D | 33.7 | Very low | 37 | Very low | 102 Ų | 102 | 94.2 Ų | 94.2 | 55% | 0.545 | 47% | 0.473 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -78.5 | 6 | 170.4 | -71.1 | -29.2 | 0 | 0 | 0 | 114.3 | Y1073 K1158 D1162 | Y1073-D1160 WeakPolarHBondContact CE1-OD2 3.44Å; K1158-D1160 PolarHBondContact O-N 3.26Å; D1160-D1162 PolarHBondContact O-N 2.9Å |
| 1161 | Y | 32.6 | Very low | 38.1 | Very low | 145 Ų | 145 | 90.8 Ų | 90.8 | 57% | 0.569 | 46% | 0.458 | S | S | * | . | S | Bend | trans | -69.5 | 131 | 167.1 | -85.6 | -69.1 | 0 | 0 | 0 | 110.9 | K1158 I1159 | K1158-Y1161 HydrophobicContact CB-CD2 3.88Å; K1158-Y1161 HydrophobicContact CB-CE2 4.01Å; K1158-Y1161 HydrophobicContact CD-CE2 4.12Å; K1158-Y1161 HydrophobicContact CG-CD2 4.11Å; K1158-Y1161 HydrophobicContact CG-CE2 3.69Å; K1158-Y1161 WeakPolarHBondContact O-CD2 3.34Å; K1158-Y1161 PolarHBondContact O-N 3.04Å; K1158-Y1161 VanDerWaalsContact O-N 3.16Å; I1159-Y1161 PolarHBondContact O-N 3.17Å |
| 1162 | D | 40.4 | Very low | 39.3 | Very low | 102 Ų | 102 | 90.4 Ų | 90.4 | 55% | 0.545 | 45% | 0.453 | S | S | . | . | trans | -21.8 | 116.8 | 176.1 | -171.9 | -12.8 | 0 | 0 | 0 | 112.1 | D1160 Y1164 D1165 | D1160-D1162 PolarHBondContact O-N 2.9Å; D1162-Y1164 PolarHBondContact O-N 3.16Å; D1162-Y1164 VanDerWaalsContact OD1-CB 3.23Å; D1162-Y1164 WeakPolarHBondContact OD1-CB 3.5Å; D1162-Y1164 PolarHBondContact OD1-N 3.08Å; D1162-D1165 WeakPolarHBondContact O-CB 3.39Å; D1162-D1165 PolarHBondContact O-N 3.12Å | ||
| 1163 | P | 40.4 | Very low | 39.9 | Very low | 47 Ų | 47 | 89.2 Ų | 89.2 | 31% | 0.305 | 46% | 0.455 | S | S | . | . | H | α-helix | trans | -46.8 | -29.3 | 177.9 | -22.7 | 25.3 | 0 | 0 | 0 | 112.9 | Q982 D1165 T1166 Q1167 | Q982-P1163 VanDerWaalsContact NE2-CG 3.34Å; P1163-D1165 VanDerWaalsContact C-N 3.31Å; P1163-D1165 PolarHBondContact O-N 3.38Å; P1163-T1166 PolarHBondContact O-N 3.29Å; P1163-Q1167 WeakPolarHBondContact O-CB 3.49Å; P1163-Q1167 WeakPolarHBondContact O-CG 3.28Å; P1163-Q1167 PolarHBondContact O-N 3.25Å |
| 1164 | Y | 41.7 | Very low | 40.5 | Very low | 151 Ų | 151 | 84.8 Ų | 84.8 | 59% | 0.592 | 43% | 0.431 | S | S | * | . | H | α-helix | trans | -57.7 | -40 | 175.2 | -166.2 | -96.4 | 0 | 0 | 0 | 112.9 | D1162 Q1167 L1168 | D1162-Y1164 PolarHBondContact O-N 3.16Å; D1162-Y1164 VanDerWaalsContact OD1-CB 3.23Å; D1162-Y1164 WeakPolarHBondContact OD1-CB 3.5Å; D1162-Y1164 PolarHBondContact OD1-N 3.08Å; Y1164-Q1167 PolarHBondContact O-N 2.78Å; Y1164-L1168 WeakPolarHBondContact O-CB 3.41Å; Y1164-L1168 PolarHBondContact O-N 2.86Å |
| 1165 | D | 45 | Very low | 41.6 | Very low | 67 Ų | 67 | 84.7 Ų | 84.7 | 36% | 0.358 | 43% | 0.431 | S | S | . | . | H | α-helix | trans | -74.1 | -35.5 | -177 | -141 | 37.5 | 0 | 0 | 0 | 111.2 | D1162 P1163 L1168 K1169 | D1162-D1165 WeakPolarHBondContact O-CB 3.39Å; D1162-D1165 PolarHBondContact O-N 3.12Å; P1163-D1165 VanDerWaalsContact C-N 3.31Å; P1163-D1165 PolarHBondContact O-N 3.38Å; D1165-L1168 PolarHBondContact O-N 2.81Å; D1165-K1169 WeakPolarHBondContact O-CB 3.45Å; D1165-K1169 WeakPolarHBondContact O-CG 3.42Å; D1165-K1169 PolarHBondContact O-N 2.94Å |
| 1166 | T | 42.6 | Very low | 43 | Very low | 62 Ų | 62 | 82.8 Ų | 82.8 | 38% | 0.38 | 42% | 0.423 | S | S | . | . | H | α-helix | trans | -69.2 | -41 | 172.8 | -56.1 | 0 | 0 | 0 | 0 | 111.5 | P1163 A1170 | P1163-T1166 PolarHBondContact O-N 3.29Å; T1166-A1170 PolarHBondContact O-N 2.85Å; T1166-A1170 VanDerWaalsContact O-N 3.1Å |
| 1167 | Q | 42.4 | Very low | 43.6 | Very low | 79 Ų | 79 | 75.6 Ų | 75.6 | 37% | 0.369 | 40% | 0.399 | S | S | . | . | H | α-helix | trans | -63.4 | -43.1 | 171.4 | -77.3 | 179.9 | -9.6 | 0 | 0 | 111.5 | P1163 Y1164 A1170 L1171 A1268 | P1163-Q1167 WeakPolarHBondContact O-CB 3.49Å; P1163-Q1167 WeakPolarHBondContact O-CG 3.28Å; P1163-Q1167 PolarHBondContact O-N 3.25Å; Y1164-Q1167 PolarHBondContact O-N 2.78Å; Q1167-A1170 WeakPolarHBondContact O-CA 3.4Å; Q1167-A1170 WeakPolarHBondContact O-CB 3.28Å; Q1167-A1170 PolarHBondContact O-N 3.24Å; Q1167-A1170 VanDerWaalsContact O-N 3.11Å; Q1167-L1171 PolarHBondContact O-N 2.96Å; Q1167-A1268 HydrophobicContact CG-CB 4.36Å |
| 1168 | L | 50.8 | Low | 44.2 | Very low | 75 Ų | 75 | 81.6 Ų | 81.6 | 39% | 0.393 | 41% | 0.406 | S | S | . | . | H | α-helix | trans | -65 | -42.6 | 178.9 | -171.7 | 67.8 | 0 | 0 | 0 | 111 | Y1164 D1165 A1170 L1171 T1172 | Y1164-L1168 WeakPolarHBondContact O-CB 3.41Å; Y1164-L1168 PolarHBondContact O-N 2.86Å; D1165-L1168 PolarHBondContact O-N 2.81Å; L1168-A1170 VanDerWaalsContact C-N 3.25Å; L1168-A1170 PolarHBondContact O-N 2.97Å; L1168-L1171 PolarHBondContact O-N 3.39Å; L1168-T1172 WeakPolarHBondContact O-CB 3.46Å; L1168-T1172 PolarHBondContact O-N 2.94Å; L1168-T1172 PolarHBondContact O-OG1 3.26Å |
| 1169 | K | 48 | Very low | 45.6 | Very low | 137 Ų | 137 | 84.6 Ų | 84.6 | 60% | 0.596 | 42% | 0.419 | S | S | * | . | H | α-helix | trans | -60 | -36.4 | 172.4 | -75.9 | 172 | -173.7 | 166.1 | 0 | 111.9 | D1165 A1173 | D1165-K1169 WeakPolarHBondContact O-CB 3.45Å; D1165-K1169 WeakPolarHBondContact O-CG 3.42Å; D1165-K1169 PolarHBondContact O-N 2.94Å; K1169-A1173 WeakPolarHBondContact O-CB 3.39Å; K1169-A1173 PolarHBondContact O-N 2.88Å |
| 1170 | A | 43.7 | Very low | 46.5 | Very low | 3 Ų | 3 | 82.9 Ų | 82.9 | 3% | 0.025 | 41% | 0.409 | C | S | . | . | H | α-helix | trans | -62.7 | -52.9 | 173.2 | 0 | 0 | 0 | 0 | 0 | 112.9 | T1166 Q1167 L1168 T1172 A1173 I1174 R1250 | T1166-A1170 PolarHBondContact O-N 2.85Å; T1166-A1170 VanDerWaalsContact O-N 3.1Å; Q1167-A1170 WeakPolarHBondContact O-CA 3.4Å; Q1167-A1170 WeakPolarHBondContact O-CB 3.28Å; Q1167-A1170 PolarHBondContact O-N 3.24Å; Q1167-A1170 VanDerWaalsContact O-N 3.11Å; L1168-A1170 VanDerWaalsContact C-N 3.25Å; L1168-A1170 PolarHBondContact O-N 2.97Å; A1170-T1172 VanDerWaalsContact C-N 3.3Å; A1170-T1172 PolarHBondContact O-N 3.47Å; A1170-A1173 PolarHBondContact O-N 3.31Å; A1170-I1174 WeakPolarHBondContact O-CG1 3.47Å; A1170-I1174 PolarHBondContact O-N 3.31Å; A1170-R1250 VanDerWaalsContact CB-CZ 3.49Å |
| 1171 | L | 49.2 | Very low | 47 | Very low | 62 Ų | 62 | 81 Ų | 81 | 33% | 0.325 | 40% | 0.397 | S | S | . | . | H | α-helix | trans | -59.4 | -45 | 179.7 | -101.9 | 135.8 | 0 | 0 | 0 | 110.6 | Q1167 L1168 A1173 I1174 E1175 I1272 | Q1167-L1171 PolarHBondContact O-N 2.96Å; L1168-L1171 PolarHBondContact O-N 3.39Å; L1171-A1173 PolarHBondContact O-N 3Å; L1171-I1174 PolarHBondContact O-N 3.02Å; L1171-E1175 WeakPolarHBondContact O-CB 3.4Å; L1171-E1175 WeakPolarHBondContact O-CG 3.41Å; L1171-E1175 PolarHBondContact O-N 3.39Å; L1171-I1272 HydrophobicContact CG-CD1 4.32Å |
| 1172 | T | 54.7 | Low | 47.7 | Very low | 71 Ų | 71 | 77.4 Ų | 77.4 | 44% | 0.436 | 39% | 0.39 | S | S | . | . | H | α-helix | trans | -62 | -41.7 | 177.1 | -38.8 | 0 | 0 | 0 | 0 | 111.5 | L1168 A1170 E1175 T1176 | L1168-T1172 WeakPolarHBondContact O-CB 3.46Å; L1168-T1172 PolarHBondContact O-N 2.94Å; L1168-T1172 PolarHBondContact O-OG1 3.26Å; A1170-T1172 VanDerWaalsContact C-N 3.3Å; A1170-T1172 PolarHBondContact O-N 3.47Å; T1172-E1175 PolarHBondContact O-N 2.65Å; T1172-T1176 WeakPolarHBondContact O-CB 3.26Å; T1172-T1176 PolarHBondContact O-N 2.77Å; T1172-T1176 PolarHBondContact O-OG1 3.26Å |
| 1173 | A | 48.5 | Very low | 48.1 | Very low | 58 Ų | 58 | 78.3 Ų | 78.3 | 48% | 0.479 | 39% | 0.394 | S | S | . | . | H | α-helix | trans | -64.2 | -43.2 | 177.3 | 0 | 0 | 0 | 0 | 0 | 112.2 | K1169 A1170 L1171 T1176 C1177 | K1169-A1173 WeakPolarHBondContact O-CB 3.39Å; K1169-A1173 PolarHBondContact O-N 2.88Å; A1170-A1173 PolarHBondContact O-N 3.31Å; L1171-A1173 PolarHBondContact O-N 3Å; A1173-T1176 PolarHBondContact O-N 3.06Å; A1173-C1177 WeakPolarHBondContact O-CB 3.35Å; A1173-C1177 PolarHBondContact O-N 3.49Å |
| 1174 | I | 45.9 | Very low | 48.2 | Very low | 48 Ų | 48 | 81.1 Ų | 81.1 | 25% | 0.246 | 40% | 0.403 | C | S | . | . | H | α-helix | trans | -64.6 | -43.9 | 176.6 | -66.6 | 170.8 | 0 | 0 | 0 | 110.8 | A1170 L1171 C1177 R1178 I1272 | A1170-I1174 WeakPolarHBondContact O-CG1 3.47Å; A1170-I1174 PolarHBondContact O-N 3.31Å; L1171-I1174 PolarHBondContact O-N 3.02Å; I1174-C1177 PolarHBondContact O-N 2.86Å; I1174-R1178 PolarHBondContact O-N 3.36Å; I1174-I1272 HydrophobicContact CD1-CD1 4.05Å; I1174-I1272 HydrophobicContact CD1-CG2 3.99Å |
| 1175 | E | 56.5 | Low | 48.2 | Very low | 86 Ų | 86 | 78.4 Ų | 78.4 | 40% | 0.402 | 40% | 0.397 | S | S | . | . | H | α-helix | trans | -64.8 | -39.3 | 176 | -80.1 | -168 | 175 | 0 | 0 | 112.9 | L1171 T1172 R1178 K1179 | L1171-E1175 WeakPolarHBondContact O-CB 3.4Å; L1171-E1175 WeakPolarHBondContact O-CG 3.41Å; L1171-E1175 PolarHBondContact O-N 3.39Å; T1172-E1175 PolarHBondContact O-N 2.65Å; E1175-R1178 PolarHBondContact O-N 2.92Å; E1175-K1179 WeakPolarHBondContact O-CG 3.15Å; E1175-K1179 PolarHBondContact O-N 2.93Å |
| 1176 | T | 59.3 | Low | 48.2 | Very low | 63 Ų | 63 | 80.2 Ų | 80.2 | 39% | 0.387 | 40% | 0.404 | S | S | . | . | H | α-helix | trans | -62.2 | -47.5 | 177.9 | -53.9 | 0 | 0 | 0 | 0 | 109.7 | T1172 A1173 R1178 K1179 E1180 | T1172-T1176 WeakPolarHBondContact O-CB 3.26Å; T1172-T1176 PolarHBondContact O-N 2.77Å; T1172-T1176 PolarHBondContact O-OG1 3.26Å; A1173-T1176 PolarHBondContact O-N 3.06Å; T1176-R1178 VanDerWaalsContact C-N 3.3Å; T1176-R1178 PolarHBondContact O-N 3.48Å; T1176-K1179 PolarHBondContact O-N 3.31Å; T1176-K1179 VanDerWaalsContact O-N 3.17Å; T1176-E1180 VanDerWaalsContact O-CG 3.27Å; T1176-E1180 WeakPolarHBondContact O-CG 3.41Å; T1176-E1180 PolarHBondContact O-N 2.88Å |
| 1177 | C | 43.9 | Very low | 48.5 | Very low | 25 Ų | 25 | 79.8 Ų | 79.8 | 17% | 0.169 | 40% | 0.404 | C | S | . | . | H | α-helix | trans | -58.4 | -40.1 | 176 | -165.8 | 0 | 0 | 0 | 0 | 112.2 | A1173 I1174 E1180 Q1181 | A1173-C1177 WeakPolarHBondContact O-CB 3.35Å; A1173-C1177 PolarHBondContact O-N 3.49Å; I1174-C1177 PolarHBondContact O-N 2.86Å; C1177-E1180 WeakPolarHBondContact CA-OE2 3.42Å; C1177-Q1181 WeakPolarHBondContact O-CG 3.2Å; C1177-Q1181 PolarHBondContact O-N 3.21Å |
| 1178 | R | 47.8 | Very low | 48.4 | Very low | 175 Ų | 175 | 80.6 Ų | 80.6 | 66% | 0.66 | 41% | 0.409 | S | S | * | . | H | α-helix | trans | -67.2 | -43.9 | 175.3 | -164.9 | -172.9 | 102.7 | 161.4 | 3.8 | 112.9 | I1174 E1175 T1176 E1180 Q1181 T1182 | I1174-R1178 PolarHBondContact O-N 3.36Å; E1175-R1178 PolarHBondContact O-N 2.92Å; T1176-R1178 VanDerWaalsContact C-N 3.3Å; T1176-R1178 PolarHBondContact O-N 3.48Å; R1178-E1180 VanDerWaalsContact C-N 3.31Å; R1178-E1180 PolarHBondContact O-N 3.41Å; R1178-Q1181 PolarHBondContact O-N 3.03Å; R1178-T1182 PolarHBondContact O-N 3.47Å; R1178-T1182 PolarHBondContact O-OG1 3.02Å |
| 1179 | K | 56 | Low | 48 | Very low | 130 Ų | 130 | 81.1 Ų | 81.1 | 57% | 0.565 | 41% | 0.412 | S | S | * | . | H | α-helix | trans | -61.8 | -41.8 | 179.8 | -79.2 | 177.2 | -178.6 | 166.9 | 0 | 111 | E1175 T1176 Q1181 T1182 I1183 | E1175-K1179 WeakPolarHBondContact O-CG 3.15Å; E1175-K1179 PolarHBondContact O-N 2.93Å; T1176-K1179 PolarHBondContact O-N 3.31Å; T1176-K1179 VanDerWaalsContact O-N 3.17Å; K1179-Q1181 PolarHBondContact O-N 3.34Å; K1179-T1182 PolarHBondContact O-N 3.36Å; K1179-I1183 WeakPolarHBondContact O-CG1 3.44Å; K1179-I1183 PolarHBondContact O-N 3.02Å; K1179-I1183 VanDerWaalsContact O-N 3.11Å |
| 1180 | E | 54.2 | Low | 47.8 | Very low | 52 Ų | 52 | 78.5 Ų | 78.5 | 24% | 0.243 | 41% | 0.405 | C | S | . | . | H | α-helix | trans | -63.7 | -40.4 | 178.3 | -68 | 163.2 | 149 | 0 | 0 | 112.1 | T1176 C1177 R1178 I1183 Q1184 Y1374 | T1176-E1180 VanDerWaalsContact O-CG 3.27Å; T1176-E1180 WeakPolarHBondContact O-CG 3.41Å; T1176-E1180 PolarHBondContact O-N 2.88Å; C1177-E1180 WeakPolarHBondContact CA-OE2 3.42Å; R1178-E1180 VanDerWaalsContact C-N 3.31Å; R1178-E1180 PolarHBondContact O-N 3.41Å; E1180-I1183 PolarHBondContact O-N 3.2Å; E1180-Q1184 PolarHBondContact O-N 3.2Å; E1180-Q1184 VanDerWaalsContact O-N 3.09Å; E1180-Y1374 HydrophobicContact CB-CE1 3.85Å; E1180-Y1374 HydrophobicContact CG-CE1 3.85Å; E1180-Y1374 VanDerWaalsContact OE1-CE1 3.3Å; E1180-Y1374 WeakPolarHBondContact OE1-CE1 3.06Å; E1180-Y1374 WeakPolarHBondContact OE2-CE1 3.42Å; E1180-Y1374 PolarHBondContact OE2-OH 3.18Å |
| 1181 | Q | 43.3 | Very low | 47.8 | Very low | 64 Ų | 64 | 83.7 Ų | 83.7 | 30% | 0.299 | 43% | 0.431 | S | S | . | . | H | α-helix | trans | -68 | -39.7 | 173.5 | -76.2 | -91.6 | -47.5 | 0 | 0 | 112.7 | C1177 R1178 K1179 I1183 Q1184 I1185 | C1177-Q1181 WeakPolarHBondContact O-CG 3.2Å; C1177-Q1181 PolarHBondContact O-N 3.21Å; R1178-Q1181 PolarHBondContact O-N 3.03Å; K1179-Q1181 PolarHBondContact O-N 3.34Å; Q1181-I1183 VanDerWaalsContact C-N 3.25Å; Q1181-I1183 PolarHBondContact O-N 2.74Å; Q1181-Q1184 PolarHBondContact O-N 2.68Å; Q1181-Q1184 VanDerWaalsContact O-N 3.1Å; Q1181-I1185 WeakPolarHBondContact O-CG1 3.39Å; Q1181-I1185 PolarHBondContact O-N 3.4Å |
| 1182 | T | 47.5 | Very low | 47.3 | Very low | 68 Ų | 68 | 87 Ų | 87 | 42% | 0.417 | 45% | 0.445 | S | S | . | . | H | α-helix | trans | -59.5 | -41.8 | 177.5 | -43.9 | 0 | 0 | 0 | 0 | 110.2 | R1178 K1179 I1185 Q1186 | R1178-T1182 PolarHBondContact O-N 3.47Å; R1178-T1182 PolarHBondContact O-OG1 3.02Å; K1179-T1182 PolarHBondContact O-N 3.36Å; T1182-I1185 PolarHBondContact O-N 3.04Å; T1182-Q1186 WeakPolarHBondContact O-CB 3.28Å; T1182-Q1186 PolarHBondContact O-N 3.46Å |
| 1183 | I | 48.7 | Very low | 46.6 | Very low | 122 Ų | 122 | 89.2 Ų | 89.2 | 63% | 0.626 | 45% | 0.454 | S | S | * | . | H | α-helix | trans | -64.6 | -41.1 | 175.3 | -65.3 | 164.9 | 0 | 0 | 0 | 111.3 | K1179 E1180 Q1181 Q1186 S1187 | K1179-I1183 WeakPolarHBondContact O-CG1 3.44Å; K1179-I1183 PolarHBondContact O-N 3.02Å; K1179-I1183 VanDerWaalsContact O-N 3.11Å; E1180-I1183 PolarHBondContact O-N 3.2Å; Q1181-I1183 VanDerWaalsContact C-N 3.25Å; Q1181-I1183 PolarHBondContact O-N 2.74Å; I1183-Q1186 PolarHBondContact O-N 2.7Å; I1183-S1187 WeakPolarHBondContact O-CB 3.44Å; I1183-S1187 PolarHBondContact O-N 3.17Å |
| 1184 | Q | 42.4 | Very low | 46.2 | Very low | 106 Ų | 106 | 93.1 Ų | 93.1 | 50% | 0.495 | 47% | 0.466 | S | S | . | . | H | α-helix | trans | -64.8 | -44.9 | 175.7 | -81.3 | -174.5 | -21.4 | 0 | 0 | 112.4 | E1180 Q1181 S1187 I1188 | E1180-Q1184 PolarHBondContact O-N 3.2Å; E1180-Q1184 VanDerWaalsContact O-N 3.09Å; Q1181-Q1184 PolarHBondContact O-N 2.68Å; Q1181-Q1184 VanDerWaalsContact O-N 3.1Å; Q1184-S1187 PolarHBondContact O-N 2.81Å; Q1184-S1187 PolarHBondContact O-OG 3.08Å; Q1184-I1188 VanDerWaalsContact O-CG1 3.3Å; Q1184-I1188 WeakPolarHBondContact O-CG1 3.3Å; Q1184-I1188 PolarHBondContact O-N 3.22Å |
| 1185 | I | 41.3 | Very low | 45.7 | Very low | 93 Ų | 93 | 97.7 Ų | 97.7 | 48% | 0.477 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -63.4 | -43.4 | 177.2 | -67 | 169 | 0 | 0 | 0 | 110.1 | Q1181 T1182 S1187 I1188 L1189 | Q1181-I1185 WeakPolarHBondContact O-CG1 3.39Å; Q1181-I1185 PolarHBondContact O-N 3.4Å; T1182-I1185 PolarHBondContact O-N 3.04Å; I1185-S1187 VanDerWaalsContact C-N 3.33Å; I1185-S1187 PolarHBondContact O-N 2.79Å; I1185-I1188 PolarHBondContact O-N 3.1Å; I1185-L1189 WeakPolarHBondContact O-CB 3.45Å; I1185-L1189 PolarHBondContact O-N 3.45Å |
| 1186 | Q | 46.3 | Very low | 44.3 | Very low | 106 Ų | 106 | 96 Ų | 96 | 50% | 0.495 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -59.5 | -44.4 | 174.8 | -147.2 | 84.5 | 13.6 | 0 | 0 | 110.9 | T1182 I1183 I1188 L1189 D1190 | T1182-Q1186 WeakPolarHBondContact O-CB 3.28Å; T1182-Q1186 PolarHBondContact O-N 3.46Å; I1183-Q1186 PolarHBondContact O-N 2.7Å; Q1186-I1188 VanDerWaalsContact C-N 3.3Å; Q1186-I1188 PolarHBondContact O-N 2.82Å; Q1186-L1189 PolarHBondContact O-N 3.06Å; Q1186-L1189 VanDerWaalsContact O-N 3.14Å; Q1186-D1190 WeakPolarHBondContact O-CB 3.29Å; Q1186-D1190 PolarHBondContact O-N 3.11Å |
| 1187 | S | 47.5 | Very low | 42.8 | Very low | 53 Ų | 53 | 100.6 Ų | 100.6 | 37% | 0.371 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -64.4 | -33.4 | 178.3 | 74.7 | 0 | 0 | 0 | 0 | 113.2 | I1183 Q1184 I1185 L1191 | I1183-S1187 WeakPolarHBondContact O-CB 3.44Å; I1183-S1187 PolarHBondContact O-N 3.17Å; Q1184-S1187 PolarHBondContact O-N 2.81Å; Q1184-S1187 PolarHBondContact O-OG 3.08Å; I1185-S1187 VanDerWaalsContact C-N 3.33Å; I1185-S1187 PolarHBondContact O-N 2.79Å; S1187-L1191 WeakPolarHBondContact O-CB 3.4Å; S1187-L1191 WeakPolarHBondContact O-CD1 3.33Å; S1187-L1191 VanDerWaalsContact O-CG 3.23Å; S1187-L1191 WeakPolarHBondContact O-CG 3.29Å; S1187-L1191 PolarHBondContact O-N 3.37Å |
| 1188 | I | 40.9 | Very low | 41.9 | Very low | 96 Ų | 96 | 107.6 Ų | 107.6 | 49% | 0.492 | 55% | 0.552 | S | S | . | * | H | α-helix | trans | -72.4 | -39.6 | 174.4 | -67.1 | 166 | 0 | 0 | 0 | 110.2 | Q1184 I1185 Q1186 L1191 Q1192 | Q1184-I1188 VanDerWaalsContact O-CG1 3.3Å; Q1184-I1188 WeakPolarHBondContact O-CG1 3.3Å; Q1184-I1188 PolarHBondContact O-N 3.22Å; I1185-I1188 PolarHBondContact O-N 3.1Å; Q1186-I1188 VanDerWaalsContact C-N 3.3Å; Q1186-I1188 PolarHBondContact O-N 2.82Å; I1188-L1191 PolarHBondContact O-N 2.89Å; I1188-Q1192 WeakPolarHBondContact O-CG 3.41Å; I1188-Q1192 PolarHBondContact O-N 2.92Å |
| 1189 | L | 42.2 | Very low | 41 | Very low | 86 Ų | 86 | 107.3 Ų | 107.3 | 45% | 0.45 | 56% | 0.561 | S | S | . | * | H | α-helix | trans | -66.7 | -41.8 | 176.5 | -129.1 | 93.2 | 0 | 0 | 0 | 111.7 | I1185 Q1186 Q1192 L1193 | I1185-L1189 WeakPolarHBondContact O-CB 3.45Å; I1185-L1189 PolarHBondContact O-N 3.45Å; Q1186-L1189 PolarHBondContact O-N 3.06Å; Q1186-L1189 VanDerWaalsContact O-N 3.14Å; L1189-Q1192 CarbonylContact O-C 3.56Å; L1189-Q1192 PolarHBondContact O-N 3.4Å; L1189-Q1192 VanDerWaalsContact O-N 3.12Å; L1189-L1193 WeakPolarHBondContact O-CG 3.38Å; L1189-L1193 PolarHBondContact O-N 2.79Å |
| 1190 | D | 43.8 | Very low | 39.5 | Very low | 82 Ų | 82 | 108.2 Ų | 108.2 | 44% | 0.439 | 57% | 0.572 | S | S | . | * | H | α-helix | trans | -65.5 | -40 | 177.3 | -68 | -21 | 0 | 0 | 0 | 110.5 | Q1186 Q1192 L1193 D1194 | Q1186-D1190 WeakPolarHBondContact O-CB 3.29Å; Q1186-D1190 PolarHBondContact O-N 3.11Å; D1190-Q1192 VanDerWaalsContact C-N 3.26Å; D1190-Q1192 PolarHBondContact O-N 3.08Å; D1190-L1193 PolarHBondContact O-N 2.61Å; D1190-D1194 PolarHBondContact O-N 3.22Å |
| 1191 | L | 44.9 | Very low | 38.2 | Very low | 112 Ų | 112 | 112.3 Ų | 112.3 | 59% | 0.586 | 60% | 0.596 | S | S | * | * | H | α-helix | trans | -66.2 | -26 | 172.5 | -79.1 | 167.2 | 0 | 0 | 0 | 113.4 | S1187 I1188 N1195 | S1187-L1191 WeakPolarHBondContact O-CB 3.4Å; S1187-L1191 WeakPolarHBondContact O-CD1 3.33Å; S1187-L1191 VanDerWaalsContact O-CG 3.23Å; S1187-L1191 WeakPolarHBondContact O-CG 3.29Å; S1187-L1191 PolarHBondContact O-N 3.37Å; I1188-L1191 PolarHBondContact O-N 2.89Å; L1191-N1195 PolarHBondContact O-ND2 3.21Å |
| 1192 | Q | 38.1 | Very low | 37.5 | Very low | 132 Ų | 132 | 117.3 Ų | 117.3 | 62% | 0.617 | 63% | 0.625 | S | S | * | * | H | α-helix | trans | -81.7 | -32.7 | 173.1 | -76 | -173.9 | -26.5 | 0 | 0 | 112.3 | I1188 L1189 D1190 N1195 G1196 | I1188-Q1192 WeakPolarHBondContact O-CG 3.41Å; I1188-Q1192 PolarHBondContact O-N 2.92Å; L1189-Q1192 CarbonylContact O-C 3.56Å; L1189-Q1192 PolarHBondContact O-N 3.4Å; L1189-Q1192 VanDerWaalsContact O-N 3.12Å; D1190-Q1192 VanDerWaalsContact C-N 3.26Å; D1190-Q1192 PolarHBondContact O-N 3.08Å; Q1192-N1195 PolarHBondContact O-N 3.42Å; Q1192-G1196 PolarHBondContact O-N 2.97Å |
| 1193 | L | 39.4 | Very low | 36.5 | Very low | 117 Ų | 117 | 121.9 Ų | 121.9 | 61% | 0.613 | 65% | 0.646 | S | S | * | * | H | α-helix | trans | -70.3 | -36.9 | 175 | -78.6 | 161.1 | 0 | 0 | 0 | 112.1 | L1189 D1190 N1195 G1196 | L1189-L1193 WeakPolarHBondContact O-CG 3.38Å; L1189-L1193 PolarHBondContact O-N 2.79Å; D1190-L1193 PolarHBondContact O-N 2.61Å; L1193-N1195 PolarHBondContact O-N 3.48Å; L1193-G1196 PolarHBondContact O-N 3.01Å; L1193-G1196 VanDerWaalsContact O-N 3.12Å |
| 1194 | D | 40.4 | Very low | 35.3 | Very low | 139 Ų | 139 | 121.8 Ų | 121.8 | 74% | 0.743 | 66% | 0.657 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -68.4 | -21.8 | 176 | -89.5 | -13.3 | 0 | 0 | 0 | 113.6 | D1190 | D1190-D1194 PolarHBondContact O-N 3.22Š|
| 1195 | N | 34.7 | Very low | 34.5 | Very low | 145 Ų | 145 | 123 Ų | 123 | 78% | 0.775 | 67% | 0.672 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -94.3 | 1.6 | 173.9 | -79 | -40.6 | 0 | 0 | 0 | 113.7 | L1191 Q1192 L1193 | L1191-N1195 PolarHBondContact O-ND2 3.21Å; Q1192-N1195 PolarHBondContact O-N 3.42Å; L1193-N1195 PolarHBondContact O-N 3.48Å |
| 1196 | G | 27.4 | Very low | 33.7 | Very low | 50 Ų | 50 | 125.4 Ų | 125.4 | 52% | 0.515 | 69% | 0.691 | S | S | . | * | trans | -83.2 | -5.2 | -174.2 | 0 | 0 | 0 | 0 | 0 | 116 | Q1192 L1193 M1198 | Q1192-G1196 PolarHBondContact O-N 2.97Å; L1193-G1196 PolarHBondContact O-N 3.01Å; L1193-G1196 VanDerWaalsContact O-N 3.12Å; G1196-M1198 PolarHBondContact O-N 3.39Å | ||
| 1197 | N | 27.3 | Very low | 32.5 | Very low | 159 Ų | 159 | 127.9 Ų | 127.9 | 85% | 0.85 | 71% | 0.708 | S | S | * | * | trans | -79.1 | 57 | 177.9 | -86.7 | -20.9 | 0 | 0 | 0 | 112.8 | ||||
| 1198 | M | 26 | Very low | 31.4 | Very low | 173 Ų | 173 | 133.9 Ų | 133.9 | 85% | 0.852 | 73% | 0.73 | S | S | * | * | S | Bend | trans | -166.5 | 99.2 | 149.1 | -81.7 | -142.4 | -163.9 | 0 | 0 | 108.4 | G1196 | G1196-M1198 PolarHBondContact O-N 3.39Š|
| 1199 | I | 28 | Very low | 30.5 | Very low | 169 Ų | 169 | 135.9 Ų | 135.9 | 87% | 0.867 | 75% | 0.746 | S | S | * | * | trans | 171.9 | 106.1 | 130.4 | -81.8 | 151.4 | 0 | 0 | 0 | 106.8 | ||||
| 1200 | N | 25.6 | Very low | 29.5 | Very low | 148 Ų | 148 | 138.5 Ų | 138.5 | 79% | 0.791 | 76% | 0.759 | S | S | * | * | trans | -74 | 148 | 174.3 | -87.8 | -30.9 | 0 | 0 | 0 | 111.9 | ||||
| 1201 | N | 26.7 | Very low | 28.5 | Very low | 139 Ų | 139 | 141.6 Ų | 141.6 | 74% | 0.743 | 78% | 0.776 | S | S | * | * | trans | 64 | 108.4 | 151.3 | -63.7 | -16.4 | 0 | 0 | 0 | 118.8 | ||||
| 1202 | N | 28 | Very low | 27.3 | Very low | 169 Ų | 169 | 147.5 Ų | 147.5 | 90% | 0.904 | 79% | 0.792 | S | S | * | * | -167.1 | 127.5 | 115.4 | -89 | -24.8 | 0 | 0 | 0 | 111.6 | |||||
| 1203 | N | 25.8 | Very low | 26.7 | Very low | 163 Ų | 163 | 146.8 Ų | 146.8 | 87% | 0.872 | 80% | 0.798 | S | S | * | * | trans | -64.7 | 137.4 | 175.5 | -69.1 | -29.7 | 0 | 0 | 0 | 112.2 | ||||
| 1204 | S | 25.3 | Very low | 26 | Very low | 120 Ų | 120 | 150.2 Ų | 150.2 | 84% | 0.839 | 81% | 0.811 | S | S | * | * | -179.3 | 121.4 | 128.6 | 37 | 0 | 0 | 0 | 0 | 111.2 | |||||
| 1205 | T | 24.2 | Very low | 25.2 | Very low | 132 Ų | 132 | 151.8 Ų | 151.8 | 81% | 0.81 | 82% | 0.819 | S | S | * | * | trans | -64.3 | 142.1 | 166.3 | 43.5 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 1206 | T | 24.4 | Very low | 24.6 | Very low | 143 Ų | 143 | 150.4 Ų | 150.4 | 88% | 0.877 | 82% | 0.816 | S | S | * | * | trans | -175.4 | 117 | 134.8 | 20.2 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 1207 | D | 21.8 | Very low | 24.4 | Very low | 159 Ų | 159 | 155 Ų | 155 | 85% | 0.85 | 83% | 0.828 | S | S | * | * | trans | -62.2 | 138.7 | 163.8 | -62.3 | -59.1 | 0 | 0 | 0 | 110.1 | ||||
| 1208 | E | 23.8 | Very low | 24.2 | Very low | 179 Ų | 179 | 154 Ų | 154 | 84% | 0.836 | 83% | 0.829 | S | S | * | * | trans | -162 | 116.7 | 142.5 | -113.3 | 170.6 | -160.1 | 0 | 0 | 111.9 | ||||
| 1209 | V | 21.6 | Very low | 24.1 | Very low | 137 Ų | 137 | 151.8 Ų | 151.8 | 83% | 0.83 | 83% | 0.825 | S | S | * | * | trans | -76.1 | 125.4 | 173.5 | 172.1 | 0 | 0 | 0 | 0 | 108.5 | ||||
| 1210 | I | 22.8 | Very low | 23.8 | Very low | 142 Ų | 142 | 149.5 Ų | 149.5 | 73% | 0.728 | 82% | 0.824 | S | S | * | * | trans | -130 | 119.1 | 170.4 | -59.4 | -177.8 | 0 | 0 | 0 | 111.2 | ||||
| 1211 | N | 22 | Very low | 23.7 | Very low | 147 Ų | 147 | 149.2 Ų | 149.2 | 79% | 0.786 | 82% | 0.821 | S | S | * | * | P | Polyproline II helix | trans | -56.7 | 146 | 175.7 | -89.4 | -36.3 | 0 | 0 | 0 | 114.2 | P1213 | N1211-P1213 WeakPolarHBondContact O-CD 3.45Š|
| 1212 | Y | 20 | Very low | 23.5 | Very low | 235 Ų | 235 | 150.6 Ų | 150.6 | 92% | 0.922 | 83% | 0.828 | S | S | * | * | P | Polyproline II helix | trans | -88.6 | 120.2 | 170.9 | -77.6 | -95.4 | 0 | 0 | 0 | 111.2 | ||
| 1213 | P | 26 | Very low | 23.2 | Very low | 117 Ų | 117 | 149.7 Ų | 149.7 | 76% | 0.76 | 82% | 0.822 | S | S | * | * | P | Polyproline II helix | trans | -103.7 | 141.9 | 162.2 | 32.4 | -20.7 | 0 | 0 | 0 | 111.8 | N1211 | N1211-P1213 WeakPolarHBondContact O-CD 3.45Š|
| 1214 | E | 23.4 | Very low | 23 | Very low | 190 Ų | 190 | 145.2 Ų | 145.2 | 89% | 0.888 | 81% | 0.814 | S | S | * | * | P | Polyproline II helix | trans | -50.4 | 132.2 | 175.4 | -62.8 | 167.8 | 146.9 | 0 | 0 | 112.5 | ||
| 1215 | L | 24.2 | Very low | 22.9 | Very low | 172 Ų | 172 | 145.2 Ų | 145.2 | 90% | 0.901 | 81% | 0.814 | S | S | * | * | trans | -139.6 | 112.5 | 162.3 | -139.4 | 87.7 | 0 | 0 | 0 | 111.6 | ||||
| 1216 | T | 22.3 | Very low | 23 | Very low | 116 Ų | 116 | 143.5 Ų | 143.5 | 71% | 0.712 | 81% | 0.808 | S | S | * | * | trans | -67.9 | 161.1 | 160.6 | 43.4 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 1217 | N | 23.4 | Very low | 23 | Very low | 145 Ų | 145 | 144.3 Ų | 144.3 | 78% | 0.775 | 81% | 0.805 | S | S | * | * | trans | 90.7 | 90.5 | 171.6 | -61 | -15.8 | 0 | 0 | 0 | 117.5 | T1219 | N1217-T1219 PolarHBondContact O-N 3.12Š| ||
| 1218 | T | 22.8 | Very low | 23.1 | Very low | 140 Ų | 140 | 146.3 Ų | 146.3 | 86% | 0.859 | 81% | 0.806 | S | S | * | * | trans | -32.8 | 103.5 | 149.5 | 46.1 | 0 | 0 | 0 | 0 | 114.5 | ||||
| 1219 | T | 23 | Very low | 23.2 | Very low | 126 Ų | 126 | 145.4 Ų | 145.4 | 77% | 0.773 | 81% | 0.807 | S | S | * | * | trans | -148.4 | 118.4 | 142.9 | 33.1 | 0 | 0 | 0 | 0 | 108.7 | N1217 I1221 | N1217-T1219 PolarHBondContact O-N 3.12Å; T1219-I1221 PolarHBondContact O-N 3.42Å | ||
| 1220 | S | 23.1 | Very low | 23.3 | Very low | 120 Ų | 120 | 148.4 Ų | 148.4 | 84% | 0.839 | 81% | 0.809 | S | S | * | * | trans | -57.4 | 109.1 | -178.9 | 49.5 | 0 | 0 | 0 | 0 | 112.5 | ||||
| 1221 | I | 22.2 | Very low | 23.5 | Very low | 143 Ų | 143 | 144.7 Ų | 144.7 | 73% | 0.733 | 81% | 0.806 | S | S | * | * | trans | -108.6 | 109.1 | 163.2 | -60.4 | -179.7 | 0 | 0 | 0 | 107.7 | T1219 I1223 | T1219-I1221 PolarHBondContact O-N 3.42Å; I1221-I1223 HydrophobicContact CG2-CD1 4.33Å; I1221-I1223 HydrophobicContact CG2-CG1 4.02Å; I1221-I1223 PolarHBondContact O-N 3.34Å | ||
| 1222 | N | 23.3 | Very low | 23.7 | Very low | 167 Ų | 167 | 144.7 Ų | 144.7 | 89% | 0.893 | 81% | 0.806 | S | S | * | * | trans | -63.2 | 105.7 | 171.8 | -80.8 | -29.3 | 0 | 0 | 0 | 109.9 | ||||
| 1223 | I | 22 | Very low | 24.1 | Very low | 150 Ų | 150 | 143 Ų | 143 | 77% | 0.769 | 80% | 0.803 | S | S | * | * | trans | -116.4 | 126.7 | 167.2 | -59.9 | -178.4 | 0 | 0 | 0 | 108.3 | I1221 | I1221-I1223 HydrophobicContact CG2-CD1 4.33Å; I1221-I1223 HydrophobicContact CG2-CG1 4.02Å; I1221-I1223 PolarHBondContact O-N 3.34Å | ||
| 1224 | G | 22 | Very low | 24.2 | Very low | 69 Ų | 69 | 142.5 Ų | 142.5 | 71% | 0.711 | 79% | 0.794 | S | S | * | * | trans | -50.5 | 129.8 | -167.6 | 0 | 0 | 0 | 0 | 0 | 115.1 | S1226 | G1224-S1226 PolarHBondContact O-N 3.34Š| ||
| 1225 | S | 23.6 | Very low | 24.7 | Very low | 121 Ų | 121 | 137.2 Ų | 137.2 | 85% | 0.846 | 77% | 0.771 | S | S | * | * | S | Bend | trans | -69.2 | 80.9 | 175.7 | 56 | 0 | 0 | 0 | 0 | 112.3 | ||
| 1226 | S | 24.7 | Very low | 25 | Very low | 96 Ų | 96 | 134.3 Ų | 134.3 | 67% | 0.671 | 76% | 0.762 | S | S | * | * | S | Bend | trans | -159.8 | 89.4 | 155 | 60.9 | 0 | 0 | 0 | 0 | 109.1 | G1224 | G1224-S1226 PolarHBondContact O-N 3.34Š|
| 1227 | I | 25.6 | Very low | 25.8 | Very low | 159 Ų | 159 | 131.7 Ų | 131.7 | 82% | 0.815 | 76% | 0.759 | S | S | * | * | S | Bend | trans | 173.6 | -16.3 | 144.9 | -86.3 | 152.4 | 0 | 0 | 0 | 111.7 | N1229 | I1227-N1229 PolarHBondContact O-N 2.79Š|
| 1228 | F | 23 | Very low | 26.9 | Very low | 201 Ų | 201 | 126.5 Ų | 126.5 | 88% | 0.882 | 73% | 0.733 | S | S | * | * | trans | -97.1 | 33.3 | 176.1 | -80.1 | -77.9 | 0 | 0 | 0 | 115.7 | ||||
| 1229 | N | 25.3 | Very low | 28.1 | Very low | 160 Ų | 160 | 123.5 Ų | 123.5 | 86% | 0.856 | 71% | 0.712 | S | S | * | * | trans | -101.8 | 28 | -179.9 | -119.5 | 2.8 | 0 | 0 | 0 | 115.1 | I1227 | I1227-N1229 PolarHBondContact O-N 2.79Š| ||
| 1230 | K | 25.4 | Very low | 29.4 | Very low | 200 Ų | 200 | 119.6 Ų | 119.6 | 87% | 0.87 | 69% | 0.686 | S | S | * | * | trans | -113 | 48.8 | 159.5 | -75 | -172.1 | 178.1 | -179.3 | 0 | 110.3 | N1232 | K1230-N1232 PolarHBondContact O-N 2.79Š| ||
| 1231 | G | 26.2 | Very low | 30.7 | Very low | 64 Ų | 64 | 115.4 Ų | 115.4 | 66% | 0.66 | 66% | 0.659 | S | S | * | * | trans | -64.9 | 113.5 | 156.5 | 0 | 0 | 0 | 0 | 0 | 107.2 | K1233 | G1231-K1233 PolarHBondContact O-N 2.78Š| ||
| 1232 | N | 27 | Very low | 32.1 | Very low | 147 Ų | 147 | 111.1 Ų | 111.1 | 79% | 0.786 | 64% | 0.641 | S | S | * | * | trans | -46.1 | 108.2 | 175.6 | -71.7 | -26.4 | 0 | 0 | 0 | 109.2 | K1230 L1234 | K1230-N1232 PolarHBondContact O-N 2.79Å; N1232-L1234 PolarHBondContact O-N 3.1Å | ||
| 1233 | K | 26.7 | Very low | 33.7 | Very low | 200 Ų | 200 | 104.1 Ų | 104.1 | 87% | 0.87 | 60% | 0.604 | S | S | * | * | trans | -58.4 | 104.9 | 168.3 | -91.8 | -179.1 | 172.8 | 179.2 | 0 | 106.2 | G1231 I1235 | G1231-K1233 PolarHBondContact O-N 2.78Å; K1233-I1235 PolarHBondContact O-N 2.98Å; K1233-I1235 VanDerWaalsContact O-N 3.11Å | ||
| 1234 | L | 29.1 | Very low | 35.4 | Very low | 107 Ų | 107 | 99.2 Ų | 99.2 | 56% | 0.56 | 58% | 0.578 | S | S | * | * | trans | -58 | 118.2 | 169 | -101.2 | 85.7 | 0 | 0 | 0 | 107.1 | N1232 L1240 | N1232-L1234 PolarHBondContact O-N 3.1Å; L1234-L1240 HydrophobicContact CD2-CB 4.05Å; L1234-L1240 HydrophobicContact CD2-CD2 3.71Å | ||
| 1235 | I | 33.5 | Very low | 36.9 | Very low | 78 Ų | 78 | 102.8 Ų | 102.8 | 40% | 0.4 | 57% | 0.57 | S | S | . | * | trans | -63.5 | 126.7 | 172.5 | -62.1 | 162.1 | 0 | 0 | 0 | 106.9 | K1233 G1237 S1238 E1340 | K1233-I1235 PolarHBondContact O-N 2.98Å; K1233-I1235 VanDerWaalsContact O-N 3.11Å; I1235-G1237 PolarHBondContact O-N 3.19Å; I1235-G1237 VanDerWaalsContact O-N 3.09Å; I1235-S1238 WeakPolarHBondContact O-CB 3.36Å; I1235-S1238 PolarHBondContact O-N 2.95Å; I1235-S1238 PolarHBondContact O-OG 3.13Å; I1235-E1340 WeakPolarHBondContact CD1-OE1 3.44Å; I1235-E1340 WeakPolarHBondContact CG1-OE1 3.37Å; I1235-E1340 WeakPolarHBondContact CG2-OE1 3.41Å; I1235-E1340 WeakPolarHBondContact CG2-OE2 3.14Å | ||
| 1236 | P | 30.3 | Very low | 38.5 | Very low | 111 Ų | 111 | 99.4 Ų | 99.4 | 72% | 0.721 | 55% | 0.546 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -57 | 114.6 | 168.3 | -19.1 | 30.9 | 0 | 0 | 0 | 108.5 | ||
| 1237 | G | 39.1 | Very low | 40.3 | Very low | 62 Ų | 62 | 94.8 Ų | 94.8 | 64% | 0.639 | 51% | 0.514 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 109.6 | 2.7 | -168.2 | 0 | 0 | 0 | 0 | 0 | 115.9 | I1235 | I1235-G1237 PolarHBondContact O-N 3.19Å; I1235-G1237 VanDerWaalsContact O-N 3.09Å |
| 1238 | S | 47 | Very low | 41.9 | Very low | 35 Ų | 35 | 88 Ų | 88 | 25% | 0.245 | 48% | 0.478 | C | S | . | . | S | Bend | trans | -65.3 | 170.8 | 175.2 | 53.1 | 0 | 0 | 0 | 0 | 114.4 | I1235 L1240 A1241 C1242 | I1235-S1238 WeakPolarHBondContact O-CB 3.36Å; I1235-S1238 PolarHBondContact O-N 2.95Å; I1235-S1238 PolarHBondContact O-OG 3.13Å; S1238-L1240 PolarHBondContact O-N 2.89Å; S1238-A1241 WeakPolarHBondContact O-CA 3.41Å; S1238-A1241 WeakPolarHBondContact O-CB 3.28Å; S1238-A1241 PolarHBondContact O-N 2.84Å; S1238-C1242 PolarHBondContact O-N 2.86Å |
| 1239 | L | 47.3 | Very low | 43.4 | Very low | 78 Ų | 78 | 83.8 Ų | 83.8 | 41% | 0.408 | 46% | 0.461 | S | S | . | . | H | α-helix | trans | -39.8 | -40.1 | 176.2 | -179.7 | 69.1 | 0 | 0 | 0 | 113.8 | A1241 C1242 V1243 | L1239-A1241 PolarHBondContact O-N 2.98Å; L1239-C1242 PolarHBondContact O-N 3.04Å; L1239-V1243 HydrophobicContact CD1-CG2 4.45Å; L1239-V1243 WeakPolarHBondContact O-CG2 3.5Å; L1239-V1243 PolarHBondContact O-N 2.94Å |
| 1240 | L | 50.8 | Low | 45 | Very low | 44 Ų | 44 | 79.1 Ų | 79.1 | 23% | 0.23 | 43% | 0.432 | C | S | . | . | H | α-helix | trans | -58.9 | -43.9 | 175.4 | 172.3 | 63.1 | 0 | 0 | 0 | 112.2 | L1234 S1238 H1244 L1280 | L1234-L1240 HydrophobicContact CD2-CB 4.05Å; L1234-L1240 HydrophobicContact CD2-CD2 3.71Å; S1238-L1240 PolarHBondContact O-N 2.89Å; L1240-H1244 WeakPolarHBondContact O-CB 3.5Å; L1240-H1244 PolarHBondContact O-N 3.02Å; L1240-L1280 HydrophobicContact CD1-CD1 3.44Å; L1240-L1280 VanDerWaalsContact CD1-CD1 3.44Å; L1240-L1280 HydrophobicContact CD1-CD2 3.72Å; L1240-L1280 HydrophobicContact CD1-CG 3.44Å; L1240-L1280 VanDerWaalsContact CD1-CG 3.44Å; L1240-L1280 HydrophobicContact CG-CD1 4.45Å |
| 1241 | A | 51.3 | Low | 46.6 | Very low | 32 Ų | 32 | 70.3 Ų | 70.3 | 26% | 0.264 | 40% | 0.395 | S | S | . | . | H | α-helix | trans | -68.8 | -35.5 | 176.9 | 0 | 0 | 0 | 0 | 0 | 111.9 | S1238 L1239 R1245 | S1238-A1241 WeakPolarHBondContact O-CA 3.41Å; S1238-A1241 WeakPolarHBondContact O-CB 3.28Å; S1238-A1241 PolarHBondContact O-N 2.84Å; L1239-A1241 PolarHBondContact O-N 2.98Å; A1241-R1245 WeakPolarHBondContact O-CB 3.45Å; A1241-R1245 PolarHBondContact O-N 2.93Å |
| 1242 | C | 51 | Low | 47.9 | Very low | 53 Ų | 53 | 69.9 Ų | 69.9 | 36% | 0.358 | 38% | 0.376 | S | S | . | . | H | α-helix | trans | -66.6 | -44.2 | 175.2 | -169.9 | 0 | 0 | 0 | 0 | 111.9 | S1238 L1239 R1245 S1246 | S1238-C1242 PolarHBondContact O-N 2.86Å; L1239-C1242 PolarHBondContact O-N 3.04Å; C1242-R1245 PolarHBondContact O-N 2.99Å; C1242-S1246 WeakPolarHBondContact O-CB 3.45Å; C1242-S1246 PolarHBondContact O-N 3.42Å; C1242-S1246 PolarHBondContact O-OG 2.88Å |
| 1243 | V | 57.9 | Low | 48.9 | Very low | 19 Ų | 19 | 66.9 Ų | 66.9 | 12% | 0.115 | 37% | 0.366 | C | S | . | . | H | α-helix | trans | -65.6 | -46 | 174.5 | 177.3 | 0 | 0 | 0 | 0 | 110.2 | L1239 R1245 S1246 V1247 V1273 M1277 L1280 L1284 | L1239-V1243 HydrophobicContact CD1-CG2 4.45Å; L1239-V1243 WeakPolarHBondContact O-CG2 3.5Å; L1239-V1243 PolarHBondContact O-N 2.94Å; V1243-R1245 VanDerWaalsContact C-N 3.32Å; V1243-R1245 PolarHBondContact O-N 3.13Å; V1243-S1246 PolarHBondContact O-N 3.07Å; V1243-V1247 HydrophobicContact CG1-CG2 4.19Å; V1243-V1247 WeakPolarHBondContact O-CB 3.4Å; V1243-V1247 VanDerWaalsContact O-CG2 3.22Å; V1243-V1247 WeakPolarHBondContact O-CG2 3.46Å; V1243-V1247 PolarHBondContact O-N 2.84Å; V1243-V1273 HydrophobicContact CG1-CG2 3.71Å; V1243-M1277 HydrophobicContact CG2-CE 4.12Å; V1243-M1277 HydrophobicContact CG2-SD 4.14Å; V1243-L1280 HydrophobicContact CB-CD2 3.96Å; V1243-L1280 HydrophobicContact CG1-CD2 3.74Å; V1243-L1280 HydrophobicContact CG2-CD2 4.4Å; V1243-L1284 HydrophobicContact CG1-CD1 4.01Å |
| 1244 | H | 57.1 | Low | 49.8 | Very low | 48 Ų | 48 | 57.5 Ų | 57.5 | 22% | 0.222 | 33% | 0.327 | C | S | . | . | H | α-helix | trans | -57.3 | -44.8 | 175.9 | -167.4 | -87.5 | 0 | 0 | 0 | 111.7 | L1240 V1247 Q1248 L1284 | L1240-H1244 WeakPolarHBondContact O-CB 3.5Å; L1240-H1244 PolarHBondContact O-N 3.02Å; H1244-V1247 PolarHBondContact O-N 2.79Å; H1244-Q1248 PolarHBondContact CE1-NE2 3.35Å; H1244-Q1248 PolarHBondContact CE1-OE1 2.75Å; H1244-Q1248 VanDerWaalsContact CE1-OE1 3.24Å; H1244-Q1248 VanDerWaalsContact ND1-CD 3.29Å; H1244-Q1248 PolarHBondContact ND1-OE1 2.95Å; H1244-Q1248 WeakPolarHBondContact O-CB 3.3Å; H1244-Q1248 WeakPolarHBondContact O-CG 3.32Å; H1244-Q1248 PolarHBondContact O-N 2.86Å; H1244-L1284 HydrophobicContact CB-CD2 3.77Å; H1244-L1284 WeakPolarHBondContact CD2-CD2 3.06Å |
| 1245 | R | 53 | Low | 50.4 | Low | 144 Ų | 144 | 53.6 Ų | 53.6 | 54% | 0.543 | 31% | 0.31 | S | S | . | . | H | α-helix | trans | -65.8 | -40.3 | 176.1 | -172.5 | 178.5 | -174.2 | 170.7 | 5.4 | 112.5 | A1241 C1242 V1243 Q1249 | A1241-R1245 WeakPolarHBondContact O-CB 3.45Å; A1241-R1245 PolarHBondContact O-N 2.93Å; C1242-R1245 PolarHBondContact O-N 2.99Å; V1243-R1245 VanDerWaalsContact C-N 3.32Å; V1243-R1245 PolarHBondContact O-N 3.13Å; R1245-Q1249 HydrophobicContact CG-CG 4.26Å; R1245-Q1249 WeakPolarHBondContact O-CB 3.45Å; R1245-Q1249 VanDerWaalsContact O-CG 3.31Å; R1245-Q1249 WeakPolarHBondContact O-CG 3.26Å; R1245-Q1249 PolarHBondContact O-N 2.9Å |
| 1246 | S | 56.5 | Low | 50.7 | Low | 49 Ų | 49 | 53 Ų | 53 | 34% | 0.343 | 32% | 0.323 | S | S | . | . | H | α-helix | trans | -67.5 | -42.5 | 178.7 | -59.1 | 0 | 0 | 0 | 0 | 111.3 | C1242 V1243 R1250 | C1242-S1246 WeakPolarHBondContact O-CB 3.45Å; C1242-S1246 PolarHBondContact O-N 3.42Å; C1242-S1246 PolarHBondContact O-OG 2.88Å; V1243-S1246 PolarHBondContact O-N 3.07Å; S1246-R1250 WeakPolarHBondContact O-CB 3.49Å; S1246-R1250 VanDerWaalsContact O-CG 3.29Å; S1246-R1250 WeakPolarHBondContact O-CG 3.45Å; S1246-R1250 PolarHBondContact O-N 2.81Å |
| 1247 | V | 63.5 | Low | 51.1 | Low | 0 Ų | 0 | 50.3 Ų | 50.3 | 0% | 0 | 31% | 0.305 | C | S | . | . | H | α-helix | trans | -61.4 | -59.1 | 172 | 172.5 | 0 | 0 | 0 | 0 | 109.1 | V1243 H1244 Q1249 R1250 C1251 I1269 V1273 L1284 D1286 C1287 | V1243-V1247 HydrophobicContact CG1-CG2 4.19Å; V1243-V1247 WeakPolarHBondContact O-CB 3.4Å; V1243-V1247 VanDerWaalsContact O-CG2 3.22Å; V1243-V1247 WeakPolarHBondContact O-CG2 3.46Å; V1243-V1247 PolarHBondContact O-N 2.84Å; H1244-V1247 PolarHBondContact O-N 2.79Å; V1247-Q1249 PolarHBondContact O-N 3.13Å; V1247-R1250 PolarHBondContact O-N 2.75Å; V1247-R1250 VanDerWaalsContact O-N 3.11Å; V1247-C1251 WeakPolarHBondContact O-CB 3.46Å; V1247-C1251 PolarHBondContact O-N 2.83Å; V1247-C1251 PolarHBondContact O-SG 2.86Å; V1247-I1269 HydrophobicContact CB-CG2 4.46Å; V1247-I1269 HydrophobicContact CG2-CG2 3.48Å; V1247-I1269 VanDerWaalsContact CG2-CG2 3.48Å; V1247-V1273 HydrophobicContact CG2-CG2 4.03Å; V1247-L1284 HydrophobicContact CB-CD2 4.45Å; V1247-L1284 HydrophobicContact CG2-CD1 4.3Å; V1247-L1284 HydrophobicContact CG2-CD2 4.48Å; V1247-D1286 HydrophobicContact CG1-CB 3.9Å; V1247-C1287 VanDerWaalsContact CG1-SG 3.58Å |
| 1248 | Q | 59.6 | Low | 51.1 | Low | 16 Ų | 16 | 47.7 Ų | 47.7 | 8% | 0.075 | 28% | 0.276 | C | S | . | . | H | α-helix | trans | -54.7 | -48.8 | -179.9 | -88.1 | -171.3 | -35 | 0 | 0 | 112.8 | H1244 R1250 C1251 H1252 D1286 | H1244-Q1248 PolarHBondContact CE1-NE2 3.35Å; H1244-Q1248 PolarHBondContact CE1-OE1 2.75Å; H1244-Q1248 VanDerWaalsContact CE1-OE1 3.24Å; H1244-Q1248 VanDerWaalsContact ND1-CD 3.29Å; H1244-Q1248 PolarHBondContact ND1-OE1 2.95Å; H1244-Q1248 WeakPolarHBondContact O-CB 3.3Å; H1244-Q1248 WeakPolarHBondContact O-CG 3.32Å; H1244-Q1248 PolarHBondContact O-N 2.86Å; Q1248-R1250 VanDerWaalsContact C-N 3.28Å; Q1248-R1250 PolarHBondContact O-N 3.16Å; Q1248-C1251 PolarHBondContact O-N 2.85Å; Q1248-H1252 WeakPolarHBondContact O-CA 3.39Å; Q1248-H1252 WeakPolarHBondContact O-CB 3.47Å; Q1248-H1252 PolarHBondContact O-CD2 2.77Å; Q1248-H1252 PolarHBondContact O-N 3.24Å; Q1248-D1286 WeakPolarHBondContact CG-OD2 3.44Å |
| 1249 | Q | 54.4 | Low | 51 | Low | 112 Ų | 112 | 47.6 Ų | 47.6 | 52% | 0.523 | 28% | 0.276 | S | S | . | . | H | α-helix | trans | -62 | -37.5 | -179.5 | -80.6 | -175.5 | -33.1 | 0 | 0 | 111.9 | R1245 V1247 S1253 | R1245-Q1249 HydrophobicContact CG-CG 4.26Å; R1245-Q1249 WeakPolarHBondContact O-CB 3.45Å; R1245-Q1249 VanDerWaalsContact O-CG 3.31Å; R1245-Q1249 WeakPolarHBondContact O-CG 3.26Å; R1245-Q1249 PolarHBondContact O-N 2.9Å; V1247-Q1249 PolarHBondContact O-N 3.13Å; Q1249-S1253 WeakPolarHBondContact O-CA 3.42Å; Q1249-S1253 WeakPolarHBondContact O-CB 3.29Å; Q1249-S1253 PolarHBondContact O-N 3.31Å; Q1249-S1253 PolarHBondContact O-OG 2.77Å |
| 1250 | R | 57.5 | Low | 51 | Low | 62 Ų | 62 | 45.6 Ų | 45.6 | 23% | 0.234 | 26% | 0.264 | C | S | . | . | H | α-helix | trans | -80.9 | -39 | 179.6 | -69.2 | -124.4 | -165.3 | 140.3 | -10.2 | 113.3 | A1170 S1246 V1247 Q1248 S1253 G1254 I1269 | A1170-R1250 VanDerWaalsContact CB-CZ 3.49Å; S1246-R1250 WeakPolarHBondContact O-CB 3.49Å; S1246-R1250 VanDerWaalsContact O-CG 3.29Å; S1246-R1250 WeakPolarHBondContact O-CG 3.45Å; S1246-R1250 PolarHBondContact O-N 2.81Å; V1247-R1250 PolarHBondContact O-N 2.75Å; V1247-R1250 VanDerWaalsContact O-N 3.11Å; Q1248-R1250 VanDerWaalsContact C-N 3.28Å; Q1248-R1250 PolarHBondContact O-N 3.16Å; R1250-S1253 PolarHBondContact O-OG 3.36Å; R1250-G1254 PolarHBondContact O-N 3.48Å; R1250-G1254 VanDerWaalsContact O-N 3.11Å; R1250-I1269 HydrophobicContact CB-CD1 3.56Å; R1250-I1269 HydrophobicContact CG-CD1 3.35Å |
| 1251 | C | 59.4 | Low | 50.9 | Low | 15 Ų | 15 | 46.2 Ų | 46.2 | 10% | 0.101 | 27% | 0.27 | C | S | . | . | H | α-helix | trans | -70.9 | -39.6 | 177.1 | -61.6 | 0 | 0 | 0 | 0 | 111.3 | V1247 Q1248 G1254 A1255 C1266 D1286 | V1247-C1251 WeakPolarHBondContact O-CB 3.46Å; V1247-C1251 PolarHBondContact O-N 2.83Å; V1247-C1251 PolarHBondContact O-SG 2.86Å; Q1248-C1251 PolarHBondContact O-N 2.85Å; C1251-G1254 CarbonylContact O-C 3.5Å; C1251-A1255 WeakPolarHBondContact O-CB 3.24Å; C1251-A1255 PolarHBondContact O-N 3.41Å; C1251-C1266 HydrophobicContact CB-CB 3.86Å; C1251-C1266 WeakPolarHBondContact CB-SG 3.12Å; C1251-C1266 WeakPolarHBondContact SG-CB 3.37Å; C1251-C1266 CovalentContact SG-SG 2.03Å; C1251-C1266 PolarHBondContact SG-SG 2.88Å; C1251-D1286 HydrophobicContact CB-CB 4.21Å |
| 1252 | H | 54.5 | Low | 51.1 | Low | 56 Ų | 56 | 45.3 Ų | 45.3 | 26% | 0.259 | 26% | 0.264 | S | S | . | . | H | α-helix | trans | -84.2 | -32.4 | 176.9 | -63.7 | -66 | 0 | 0 | 0 | 114.2 | Q1248 G1254 A1255 D1286 | Q1248-H1252 WeakPolarHBondContact O-CA 3.39Å; Q1248-H1252 WeakPolarHBondContact O-CB 3.47Å; Q1248-H1252 PolarHBondContact O-CD2 2.77Å; Q1248-H1252 PolarHBondContact O-N 3.24Å; H1252-G1254 PolarHBondContact O-N 2.89Å; H1252-A1255 HydrophobicContact CB-CB 4.45Å; H1252-A1255 WeakPolarHBondContact O-CB 3.39Å; H1252-A1255 PolarHBondContact O-N 2.82Å; H1252-D1286 IonicContact CE1-OD1 2.92Å; H1252-D1286 IonicContact NE2-OD1 3.57Å; H1252-D1286 IonicContact NE2-OD2 2.77Å |
| 1253 | S | 47.5 | Very low | 51.3 | Low | 83 Ų | 83 | 44.4 Ų | 44.4 | 58% | 0.58 | 25% | 0.253 | S | S | * | . | H | α-helix | trans | -63.8 | -28.2 | 167.3 | 69.3 | 0 | 0 | 0 | 0 | 111.2 | Q1249 R1250 | Q1249-S1253 WeakPolarHBondContact O-CA 3.42Å; Q1249-S1253 WeakPolarHBondContact O-CB 3.29Å; Q1249-S1253 PolarHBondContact O-N 3.31Å; Q1249-S1253 PolarHBondContact O-OG 2.77Å; R1250-S1253 PolarHBondContact O-OG 3.36Å |
| 1254 | G | 45 | Very low | 51.4 | Low | 4 Ų | 4 | 49.8 Ų | 49.8 | 4% | 0.041 | 27% | 0.272 | C | S | . | . | H | α-helix | trans | -74.2 | -28.3 | 165.8 | 0 | 0 | 0 | 0 | 0 | 114.1 | R1250 C1251 H1252 G1256 T1257 | R1250-G1254 PolarHBondContact O-N 3.48Å; R1250-G1254 VanDerWaalsContact O-N 3.11Å; C1251-G1254 CarbonylContact O-C 3.5Å; H1252-G1254 PolarHBondContact O-N 2.89Å; G1254-G1256 VanDerWaalsContact C-N 3.27Å; G1254-G1256 PolarHBondContact O-N 3.01Å; G1254-T1257 CarbonylContact O-C 3.58Å; G1254-T1257 WeakPolarHBondContact O-CA 3.45Å; G1254-T1257 PolarHBondContact O-N 3.35Å; G1254-T1257 PolarHBondContact O-OG1 2.62Å; G1254-T1257 VanDerWaalsContact O-OG1 3.08Å |
| 1255 | A | 42.5 | Very low | 51.5 | Low | 25 Ų | 25 | 48.5 Ų | 48.5 | 21% | 0.207 | 27% | 0.269 | C | S | . | . | H | α-helix | trans | -68 | -19 | -171 | 0 | 0 | 0 | 0 | 0 | 114.5 | C1251 H1252 | C1251-A1255 WeakPolarHBondContact O-CB 3.24Å; C1251-A1255 PolarHBondContact O-N 3.41Å; H1252-A1255 HydrophobicContact CB-CB 4.45Å; H1252-A1255 WeakPolarHBondContact O-CB 3.39Å; H1252-A1255 PolarHBondContact O-N 2.82Å |
| 1256 | G | 40.1 | Very low | 52.2 | Low | 66 Ų | 66 | 42.2 Ų | 42.2 | 68% | 0.68 | 25% | 0.248 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -91.6 | -11 | 167.2 | 0 | 0 | 0 | 0 | 0 | 114.2 | G1254 | G1254-G1256 VanDerWaalsContact C-N 3.27Å; G1254-G1256 PolarHBondContact O-N 3.01Å |
| 1257 | T | 39.3 | Very low | 52.6 | Low | 53 Ų | 53 | 41.3 Ų | 41.3 | 33% | 0.325 | 24% | 0.238 | S | C | . | . | trans | -101.5 | 112.1 | 176.8 | 76.5 | 0 | 0 | 0 | 0 | 108.3 | G1254 S1259 | G1254-T1257 CarbonylContact O-C 3.58Å; G1254-T1257 WeakPolarHBondContact O-CA 3.45Å; G1254-T1257 PolarHBondContact O-N 3.35Å; G1254-T1257 PolarHBondContact O-OG1 2.62Å; G1254-T1257 VanDerWaalsContact O-OG1 3.08Å; T1257-S1259 PolarHBondContact O-N 3.1Å; T1257-S1259 PolarHBondContact OG1-OG 3.46Å | ||
| 1258 | S | 38.8 | Very low | 52.7 | Low | 7 Ų | 7 | 42.3 Ų | 42.3 | 5% | 0.049 | 25% | 0.246 | C | C | . | . | trans | -61.5 | 10.9 | 165.3 | 60.9 | 0 | 0 | 0 | 0 | 113.2 | Y577 I976 I978 | Y577-S1258 VanDerWaalsContact OH-CB 3.3Å; Y577-S1258 WeakPolarHBondContact OH-CB 3.32Å; Y577-S1258 PolarHBondContact OH-OG 3.34Å; I976-S1258 WeakPolarHBondContact O-CB 3.18Å; I978-S1258 WeakPolarHBondContact CB-O 3.12Å; I978-S1258 WeakPolarHBondContact CD1-OG 3.36Å; I978-S1258 WeakPolarHBondContact CG1-O 3.28Å; I978-S1258 PolarHBondContact N-O 2.77Å | ||
| 1259 | S | 44 | Very low | 53.1 | Low | 34 Ų | 34 | 41.9 Ų | 41.9 | 24% | 0.238 | 25% | 0.245 | C | C | . | . | B | Isolated β-bridge | trans | -78.6 | 132.8 | -179 | 82.4 | 0 | 0 | 0 | 0 | 110.7 | T1257 T1261 G1262 | T1257-S1259 PolarHBondContact O-N 3.1Å; T1257-S1259 PolarHBondContact OG1-OG 3.46Å; S1259-T1261 PolarHBondContact O-N 3.47Å; S1259-T1261 VanDerWaalsContact O-N 3.12Å; S1259-G1262 PolarHBondContact O-N 3.31Å; S1259-G1262 PolarHBondContact OG-N 3.43Å |
| 1260 | F | 47.5 | Very low | 54 | Low | 35 Ų | 35 | 36.6 Ų | 36.6 | 15% | 0.154 | 22% | 0.22 | C | C | . | . | H | α-helix | trans | -55.2 | -27.1 | 170.4 | -137.3 | -118.9 | 0 | 0 | 0 | 111.9 | I978 E979 T980 R1263 Y1264 | I978-F1260 WeakPolarHBondContact O-CB 3.48Å; I978-F1260 PolarHBondContact O-N 3.37Å; E979-F1260 HydrophobicContact CG-CD2 4.29Å; E979-F1260 HydrophobicContact CG-CE2 3.87Å; E979-F1260 HydrophobicContact CG-CZ 4.4Å; T980-F1260 WeakPolarHBondContact OG1-CB 3.48Å; F1260-R1263 PolarHBondContact O-N 2.94Å; F1260-Y1264 AromaticContact CD1-CD2 3.35Å; F1260-Y1264 HydrophobicContact CD1-CD2 3.35Å; F1260-Y1264 AromaticContact CD1-CE2 3.24Å; F1260-Y1264 HydrophobicContact CD1-CE2 3.24Å; F1260-Y1264 AromaticContact CE1-CD2 3.69Å; F1260-Y1264 HydrophobicContact CE1-CD2 3.69Å; F1260-Y1264 AromaticContact CE1-CE2 3.16Å; F1260-Y1264 HydrophobicContact CE1-CE2 3.16Å; F1260-Y1264 AromaticContact CE1-CZ 3.95Å; F1260-Y1264 HydrophobicContact CG-CD2 4.32Å; F1260-Y1264 HydrophobicContact CZ-CE2 4.39Å; F1260-Y1264 WeakPolarHBondContact O-CB 3.17Å; F1260-Y1264 PolarHBondContact O-N 3.26Å |
| 1261 | T | 49.2 | Very low | 54.5 | Low | 58 Ų | 58 | 39.4 Ų | 39.4 | 36% | 0.356 | 24% | 0.236 | S | C | . | . | H | α-helix | trans | -63.9 | -48.4 | -179.1 | -40.7 | 0 | 0 | 0 | 0 | 112.8 | I1159 S1259 R1263 Y1264 A1265 | I1159-T1261 HydrophobicContact CG2-CG2 4.29Å; S1259-T1261 PolarHBondContact O-N 3.47Å; S1259-T1261 VanDerWaalsContact O-N 3.12Å; T1261-R1263 VanDerWaalsContact C-N 3.29Å; T1261-R1263 PolarHBondContact O-N 2.81Å; T1261-Y1264 PolarHBondContact O-N 2.81Å; T1261-A1265 WeakPolarHBondContact O-CB 3.41Å; T1261-A1265 PolarHBondContact O-N 3.43Å |
| 1262 | G | 55.7 | Low | 54.9 | Low | 13 Ų | 13 | 40 Ų | 40 | 13% | 0.134 | 24% | 0.238 | C | C | . | . | H | α-helix | trans | -62.3 | -38.7 | 177 | 0 | 0 | 0 | 0 | 0 | 112 | S1259 A1265 C1266 | S1259-G1262 PolarHBondContact O-N 3.31Å; S1259-G1262 PolarHBondContact OG-N 3.43Å; G1262-A1265 WeakPolarHBondContact O-CB 3.32Å; G1262-A1265 PolarHBondContact O-N 3.48Å; G1262-C1266 PolarHBondContact O-N 3.31Å |
| 1263 | R | 55.2 | Low | 55.6 | Low | 33 Ų | 33 | 37.7 Ų | 37.7 | 13% | 0.125 | 23% | 0.227 | C | C | . | . | H | α-helix | trans | -66 | -49.5 | 174.2 | -83.5 | 171.7 | 179.6 | -112.8 | -2.6 | 112.6 | C977 F1260 T1261 A1265 C1266 E1267 L1291 S1293 C1294 | C977-R1263 VanDerWaalsContact SG-CZ 3.51Å; C977-R1263 PolarHBondContact SG-NH1 3.1Å; F1260-R1263 PolarHBondContact O-N 2.94Å; T1261-R1263 VanDerWaalsContact C-N 3.29Å; T1261-R1263 PolarHBondContact O-N 2.81Å; R1263-A1265 PolarHBondContact O-N 2.67Å; R1263-C1266 CarbonylContact O-C 3.46Å; R1263-C1266 WeakPolarHBondContact O-CA 3.28Å; R1263-C1266 VanDerWaalsContact O-CB 3.26Å; R1263-C1266 WeakPolarHBondContact O-CB 3.37Å; R1263-C1266 PolarHBondContact O-N 2.88Å; R1263-E1267 PolarHBondContact O-N 2.74Å; R1263-L1291 HydrophobicContact CB-CD1 4.44Å; R1263-L1291 HydrophobicContact CB-CD2 3.83Å; R1263-L1291 HydrophobicContact CG-CD2 4.27Å; R1263-L1291 PolarHBondContact NH1-O 3.16Å; R1263-L1291 WeakPolarHBondContact O-CD1 3.17Å; R1263-L1291 WeakPolarHBondContact O-CD2 3.5Å; R1263-S1293 PolarHBondContact NH1-O 3.37Å; R1263-S1293 PolarHBondContact NH2-O 3.24Å; R1263-C1294 PolarHBondContact NH2-O 2.86Å |
| 1264 | Y | 58.4 | Low | 57 | Low | 132 Ų | 132 | 37.5 Ų | 37.5 | 52% | 0.518 | 21% | 0.214 | S | C | . | . | H | α-helix | trans | -57.9 | -36.3 | 173.4 | -104 | -62.9 | 0 | 0 | 0 | 112.1 | F1260 T1261 C1266 E1267 A1268 | F1260-Y1264 AromaticContact CD1-CD2 3.35Å; F1260-Y1264 HydrophobicContact CD1-CD2 3.35Å; F1260-Y1264 AromaticContact CD1-CE2 3.24Å; F1260-Y1264 HydrophobicContact CD1-CE2 3.24Å; F1260-Y1264 AromaticContact CE1-CD2 3.69Å; F1260-Y1264 HydrophobicContact CE1-CD2 3.69Å; F1260-Y1264 AromaticContact CE1-CE2 3.16Å; F1260-Y1264 HydrophobicContact CE1-CE2 3.16Å; F1260-Y1264 AromaticContact CE1-CZ 3.95Å; F1260-Y1264 HydrophobicContact CG-CD2 4.32Å; F1260-Y1264 HydrophobicContact CZ-CE2 4.39Å; F1260-Y1264 WeakPolarHBondContact O-CB 3.17Å; F1260-Y1264 PolarHBondContact O-N 3.26Å; T1261-Y1264 PolarHBondContact O-N 2.81Å; Y1264-C1266 VanDerWaalsContact C-N 3.34Å; Y1264-E1267 PolarHBondContact O-N 3.18Å; Y1264-A1268 WeakPolarHBondContact O-CB 3.05Å; Y1264-A1268 PolarHBondContact O-N 3.38Å |
| 1265 | A | 60 | Low | 58.2 | Low | 21 Ų | 21 | 44.7 Ų | 44.7 | 17% | 0.174 | 25% | 0.246 | C | C | . | . | H | α-helix | trans | -66.2 | -36.3 | 174.3 | 0 | 0 | 0 | 0 | 0 | 112.4 | T1261 G1262 R1263 I1269 | T1261-A1265 WeakPolarHBondContact O-CB 3.41Å; T1261-A1265 PolarHBondContact O-N 3.43Å; G1262-A1265 WeakPolarHBondContact O-CB 3.32Å; G1262-A1265 PolarHBondContact O-N 3.48Å; R1263-A1265 PolarHBondContact O-N 2.67Å; A1265-I1269 WeakPolarHBondContact O-CG1 3.31Å; A1265-I1269 PolarHBondContact O-N 2.81Å |
| 1266 | C | 67.4 | Low | 59.5 | Low | 13 Ų | 13 | 49.1 Ų | 49.1 | 9% | 0.088 | 26% | 0.257 | C | S | . | . | H | α-helix | trans | -64.6 | -49.4 | 171.8 | 176.9 | 0 | 0 | 0 | 0 | 111.6 | C1251 G1262 R1263 Y1264 I1269 C1270 | C1251-C1266 HydrophobicContact CB-CB 3.86Å; C1251-C1266 WeakPolarHBondContact CB-SG 3.12Å; C1251-C1266 WeakPolarHBondContact SG-CB 3.37Å; C1251-C1266 CovalentContact SG-SG 2.03Å; C1251-C1266 PolarHBondContact SG-SG 2.88Å; G1262-C1266 PolarHBondContact O-N 3.31Å; R1263-C1266 CarbonylContact O-C 3.46Å; R1263-C1266 WeakPolarHBondContact O-CA 3.28Å; R1263-C1266 VanDerWaalsContact O-CB 3.26Å; R1263-C1266 WeakPolarHBondContact O-CB 3.37Å; R1263-C1266 PolarHBondContact O-N 2.88Å; Y1264-C1266 VanDerWaalsContact C-N 3.34Å; C1266-I1269 CarbonylContact O-C 3.55Å; C1266-I1269 WeakPolarHBondContact O-CA 3.18Å; C1266-I1269 WeakPolarHBondContact O-CB 3.11Å; C1266-I1269 PolarHBondContact O-N 3.4Å; C1266-I1269 VanDerWaalsContact O-N 3.14Å; C1266-C1270 PolarHBondContact O-N 3.4Å |
| 1267 | E | 65.2 | Low | 60.7 | Low | 30 Ų | 30 | 48.1 Ų | 48.1 | 14% | 0.14 | 24% | 0.236 | C | C | . | . | H | α-helix | trans | -73.2 | -34 | -178.9 | -171.6 | 71 | 166.5 | 0 | 0 | 113.7 | R1263 Y1264 I1269 C1270 E1271 R1274 L1291 | R1263-E1267 PolarHBondContact O-N 2.74Å; Y1264-E1267 PolarHBondContact O-N 3.18Å; E1267-I1269 PolarHBondContact O-N 2.81Å; E1267-C1270 CarbonylContact O-C 3.52Å; E1267-C1270 PolarHBondContact O-N 2.57Å; E1267-E1271 HydrophobicContact CG-CG 4.18Å; E1267-E1271 WeakPolarHBondContact O-CB 3.33Å; E1267-E1271 PolarHBondContact O-N 3.37Å; E1267-R1274 IonicContact OE1-CZ 2.79Å; E1267-R1274 IonicContact OE1-NH1 2.79Å; E1267-R1274 PolarHBondContact OE1-NH1 3.49Å; E1267-R1274 IonicContact OE1-NH2 2.84Å; E1267-R1274 IonicContact OE2-CZ 3.34Å; E1267-R1274 IonicContact OE2-NH1 3.74Å; E1267-R1274 PolarHBondContact OE2-NH1 2.73Å; E1267-R1274 IonicContact OE2-NH2 2.72Å; E1267-R1274 PolarHBondContact OE2-NH2 3.38Å; E1267-L1291 HydrophobicContact CB-CD1 3.1Å; E1267-L1291 HydrophobicContact CB-CD2 3.78Å; E1267-L1291 HydrophobicContact CB-CG 3.36Å; E1267-L1291 HydrophobicContact CG-CD1 3.66Å; E1267-L1291 HydrophobicContact CG-CG 3.8Å |
| 1268 | A | 65.1 | Low | 61.8 | Low | 21 Ų | 21 | 49.2 Ų | 49.2 | 17% | 0.174 | 24% | 0.244 | C | C | . | . | H | α-helix | trans | -56.2 | -35.4 | 171.1 | 0 | 0 | 0 | 0 | 0 | 110.2 | Q1167 Y1264 I1272 | Q1167-A1268 HydrophobicContact CG-CB 4.36Å; Y1264-A1268 WeakPolarHBondContact O-CB 3.05Å; Y1264-A1268 PolarHBondContact O-N 3.38Å; A1268-I1272 WeakPolarHBondContact O-CD1 3.12Å; A1268-I1272 WeakPolarHBondContact O-CG1 3.47Å; A1268-I1272 PolarHBondContact O-N 3.45Å |
| 1269 | I | 69.4 | Low | 63 | Low | 7 Ų | 7 | 55.1 Ų | 55.1 | 4% | 0.036 | 27% | 0.27 | C | S | . | . | H | α-helix | trans | -73.8 | -47.7 | 170.5 | -64.9 | 169.5 | 0 | 0 | 0 | 111 | V1247 R1250 A1265 C1266 E1267 E1271 I1272 V1273 | V1247-I1269 HydrophobicContact CB-CG2 4.46Å; V1247-I1269 HydrophobicContact CG2-CG2 3.48Å; V1247-I1269 VanDerWaalsContact CG2-CG2 3.48Å; R1250-I1269 HydrophobicContact CB-CD1 3.56Å; R1250-I1269 HydrophobicContact CG-CD1 3.35Å; A1265-I1269 WeakPolarHBondContact O-CG1 3.31Å; A1265-I1269 PolarHBondContact O-N 2.81Å; C1266-I1269 CarbonylContact O-C 3.55Å; C1266-I1269 WeakPolarHBondContact O-CA 3.18Å; C1266-I1269 WeakPolarHBondContact O-CB 3.11Å; C1266-I1269 PolarHBondContact O-N 3.4Å; C1266-I1269 VanDerWaalsContact O-N 3.14Å; E1267-I1269 PolarHBondContact O-N 2.81Å; I1269-E1271 PolarHBondContact O-N 3Å; I1269-I1272 WeakPolarHBondContact O-CB 3.27Å; I1269-I1272 PolarHBondContact O-N 3.43Å; I1269-I1272 VanDerWaalsContact O-N 3.15Å; I1269-V1273 HydrophobicContact CG2-CG2 4.15Å; I1269-V1273 VanDerWaalsContact O-CG2 3.29Å; I1269-V1273 WeakPolarHBondContact O-CG2 3.48Å; I1269-V1273 PolarHBondContact O-N 2.93Å |
| 1270 | C | 72.8 | Confident | 63.9 | Low | 0 Ų | 0 | 54.1 Ų | 54.1 | 0% | 0 | 26% | 0.262 | C | S | . | . | H | α-helix | trans | -64.8 | -33.7 | -177.1 | -71.3 | 0 | 0 | 0 | 0 | 113.7 | C1266 E1267 V1273 R1274 C1287 | C1266-C1270 PolarHBondContact O-N 3.4Å; E1267-C1270 CarbonylContact O-C 3.52Å; E1267-C1270 PolarHBondContact O-N 2.57Å; C1270-V1273 CarbonylContact O-C 3.55Å; C1270-V1273 WeakPolarHBondContact O-CB 3.36Å; C1270-V1273 PolarHBondContact O-N 2.83Å; C1270-R1274 WeakPolarHBondContact O-CB 3.22Å; C1270-R1274 VanDerWaalsContact O-CG 3.27Å; C1270-R1274 WeakPolarHBondContact O-CG 3.18Å; C1270-R1274 PolarHBondContact O-N 2.84Å; C1270-C1287 WeakPolarHBondContact CA-SG 3.4Å; C1270-C1287 HydrophobicContact CB-CB 3.63Å; C1270-C1287 WeakPolarHBondContact CB-SG 3.45Å; C1270-C1287 WeakPolarHBondContact SG-CA 3.23Å; C1270-C1287 WeakPolarHBondContact SG-CB 3.37Å; C1270-C1287 CovalentContact SG-SG 2.05Å; C1270-C1287 PolarHBondContact SG-SG 3.25Å |
| 1271 | E | 68.1 | Low | 64.7 | Low | 122 Ų | 122 | 52.8 Ų | 52.8 | 57% | 0.57 | 26% | 0.257 | S | S | * | . | H | α-helix | trans | -63.4 | -47.5 | 169 | -86.8 | -165.7 | 158.7 | 0 | 0 | 110.8 | E1267 I1269 V1273 R1274 E1275 | E1267-E1271 HydrophobicContact CG-CG 4.18Å; E1267-E1271 WeakPolarHBondContact O-CB 3.33Å; E1267-E1271 PolarHBondContact O-N 3.37Å; I1269-E1271 PolarHBondContact O-N 3Å; E1271-V1273 PolarHBondContact O-N 3.48Å; E1271-R1274 PolarHBondContact O-N 3.45Å; E1271-R1274 VanDerWaalsContact O-N 3.1Å; E1271-E1275 VanDerWaalsContact O-CB 3.28Å; E1271-E1275 WeakPolarHBondContact O-CB 3.1Å; E1271-E1275 PolarHBondContact O-N 3.38Å |
| 1272 | I | 67.9 | Low | 65.2 | Low | 28 Ų | 28 | 56.1 Ų | 56.1 | 14% | 0.144 | 27% | 0.273 | C | S | . | . | H | α-helix | trans | -59.1 | -39.7 | 174.6 | -67.8 | 166.8 | 0 | 0 | 0 | 110.4 | L1171 I1174 A1268 I1269 R1276 | L1171-I1272 HydrophobicContact CG-CD1 4.32Å; I1174-I1272 HydrophobicContact CD1-CD1 4.05Å; I1174-I1272 HydrophobicContact CD1-CG2 3.99Å; A1268-I1272 WeakPolarHBondContact O-CD1 3.12Å; A1268-I1272 WeakPolarHBondContact O-CG1 3.47Å; A1268-I1272 PolarHBondContact O-N 3.45Å; I1269-I1272 WeakPolarHBondContact O-CB 3.27Å; I1269-I1272 PolarHBondContact O-N 3.43Å; I1269-I1272 VanDerWaalsContact O-N 3.15Å; I1272-R1276 HydrophobicContact CG2-CG 4.28Å; I1272-R1276 VanDerWaalsContact O-CB 3.22Å; I1272-R1276 WeakPolarHBondContact O-CB 3.33Å; I1272-R1276 WeakPolarHBondContact O-CG 3.1Å; I1272-R1276 PolarHBondContact O-N 3.45Å |
| 1273 | V | 69.5 | Low | 65.5 | Low | 6 Ų | 6 | 64 Ų | 64 | 4% | 0.036 | 30% | 0.299 | C | S | . | . | H | α-helix | trans | -65.3 | -44.3 | 175.1 | 172 | 0 | 0 | 0 | 0 | 110.9 | V1243 V1247 I1269 C1270 E1271 M1277 L1280 A1281 L1284 | V1243-V1273 HydrophobicContact CG1-CG2 3.71Å; V1247-V1273 HydrophobicContact CG2-CG2 4.03Å; I1269-V1273 HydrophobicContact CG2-CG2 4.15Å; I1269-V1273 VanDerWaalsContact O-CG2 3.29Å; I1269-V1273 WeakPolarHBondContact O-CG2 3.48Å; I1269-V1273 PolarHBondContact O-N 2.93Å; C1270-V1273 CarbonylContact O-C 3.55Å; C1270-V1273 WeakPolarHBondContact O-CB 3.36Å; C1270-V1273 PolarHBondContact O-N 2.83Å; E1271-V1273 PolarHBondContact O-N 3.48Å; V1273-M1277 CarbonylContact O-C 3.55Å; V1273-M1277 WeakPolarHBondContact O-CA 3.29Å; V1273-M1277 WeakPolarHBondContact O-CB 3.3Å; V1273-M1277 PolarHBondContact O-N 3.48Å; V1273-L1280 HydrophobicContact CG1-CB 4.26Å; V1273-A1281 HydrophobicContact CG1-CB 4.08Å; V1273-L1284 HydrophobicContact CG1-CD1 3.48Å; V1273-L1284 VanDerWaalsContact CG1-CD1 3.48Å; V1273-L1284 HydrophobicContact CG2-CD1 4.32Å |
| 1274 | R | 76.1 | Confident | 65.9 | Low | 80 Ų | 80 | 62.4 Ų | 62.4 | 30% | 0.302 | 29% | 0.293 | S | S | . | . | H | α-helix | trans | -65.9 | -41.4 | 178.4 | -74.9 | 179.1 | -150.6 | 122.3 | 1.2 | 112 | E1267 C1270 E1271 P1278 A1281 C1287 | E1267-R1274 IonicContact OE1-CZ 2.79Å; E1267-R1274 IonicContact OE1-NH1 2.79Å; E1267-R1274 PolarHBondContact OE1-NH1 3.49Å; E1267-R1274 IonicContact OE1-NH2 2.84Å; E1267-R1274 IonicContact OE2-CZ 3.34Å; E1267-R1274 IonicContact OE2-NH1 3.74Å; E1267-R1274 PolarHBondContact OE2-NH1 2.73Å; E1267-R1274 IonicContact OE2-NH2 2.72Å; E1267-R1274 PolarHBondContact OE2-NH2 3.38Å; C1270-R1274 WeakPolarHBondContact O-CB 3.22Å; C1270-R1274 VanDerWaalsContact O-CG 3.27Å; C1270-R1274 WeakPolarHBondContact O-CG 3.18Å; C1270-R1274 PolarHBondContact O-N 2.84Å; E1271-R1274 PolarHBondContact O-N 3.45Å; E1271-R1274 VanDerWaalsContact O-N 3.1Å; R1274-P1278 WeakPolarHBondContact O-CA 3.21Å; R1274-P1278 WeakPolarHBondContact O-CB 3.43Å; R1274-A1281 HydrophobicContact CB-CB 4.33Å; R1274-A1281 HydrophobicContact CG-CB 3.51Å; R1274-C1287 PolarHBondContact NE-O 3.4Å; R1274-C1287 PolarHBondContact NH2-O 3.17Å |
| 1275 | E | 69.9 | Low | 66 | Low | 154 Ų | 154 | 59.1 Ų | 59.1 | 72% | 0.72 | 28% | 0.282 | S | S | * | . | H | α-helix | trans | -72.5 | -47.5 | -179.3 | -169.6 | -171 | -171.6 | 0 | 0 | 111.4 | E1271 | E1271-E1275 VanDerWaalsContact O-CB 3.28Å; E1271-E1275 WeakPolarHBondContact O-CB 3.1Å; E1271-E1275 PolarHBondContact O-N 3.38Å |
| 1276 | R | 69 | Low | 66.1 | Low | 118 Ų | 118 | 59 Ų | 59 | 45% | 0.445 | 28% | 0.278 | S | S | . | . | H | α-helix | trans | -95 | -24.4 | -172.4 | -58.1 | -170.2 | 178.1 | -173.6 | -4 | 114 | I1272 | I1272-R1276 HydrophobicContact CG2-CG 4.28Å; I1272-R1276 VanDerWaalsContact O-CB 3.22Å; I1272-R1276 WeakPolarHBondContact O-CB 3.33Å; I1272-R1276 WeakPolarHBondContact O-CG 3.1Å; I1272-R1276 PolarHBondContact O-N 3.45Å |
| 1277 | M | 66.8 | Low | 66 | Low | 45 Ų | 45 | 58.5 Ų | 58.5 | 22% | 0.222 | 28% | 0.275 | C | S | . | . | trans | -140 | 58.5 | -176.7 | -52.8 | -174.2 | -155 | 0 | 0 | 111.7 | V1243 V1273 H1279 L1280 A1281 | V1243-M1277 HydrophobicContact CG2-CE 4.12Å; V1243-M1277 HydrophobicContact CG2-SD 4.14Å; V1273-M1277 CarbonylContact O-C 3.55Å; V1273-M1277 WeakPolarHBondContact O-CA 3.29Å; V1273-M1277 WeakPolarHBondContact O-CB 3.3Å; V1273-M1277 PolarHBondContact O-N 3.48Å; M1277-H1279 PolarHBondContact O-N 3.03Å; M1277-H1279 VanDerWaalsContact O-N 3.09Å; M1277-L1280 HydrophobicContact CB-CB 3.89Å; M1277-L1280 WeakPolarHBondContact O-CA 3.15Å; M1277-L1280 WeakPolarHBondContact O-CB 3.18Å; M1277-L1280 PolarHBondContact O-N 3.09Å; M1277-L1280 HydrophobicContact SD-CD2 4.01Å; M1277-A1281 PolarHBondContact O-N 2.89Å | ||
| 1278 | P | 62.8 | Low | 65.8 | Low | 76 Ų | 76 | 62.1 Ų | 62.1 | 49% | 0.494 | 29% | 0.29 | S | S | . | . | H | α-helix | trans | -57.2 | -33.2 | -171.1 | 17.9 | -30.8 | 0 | 0 | 0 | 114 | R1274 L1280 A1281 | R1274-P1278 WeakPolarHBondContact O-CA 3.21Å; R1274-P1278 WeakPolarHBondContact O-CB 3.43Å; P1278-L1280 PolarHBondContact O-N 3.41Å; P1278-A1281 PolarHBondContact O-N 3.2Å |
| 1279 | H | 62.1 | Low | 65.3 | Low | 132 Ų | 132 | 62.7 Ų | 62.7 | 61% | 0.611 | 29% | 0.29 | S | S | * | . | H | α-helix | trans | -65 | -24.5 | 175.6 | 60.1 | -84.7 | 0 | 0 | 0 | 113.4 | M1277 | M1277-H1279 PolarHBondContact O-N 3.03Å; M1277-H1279 VanDerWaalsContact O-N 3.09Å |
| 1280 | L | 63 | Low | 64.5 | Low | 13 Ų | 13 | 64 Ų | 64 | 7% | 0.068 | 30% | 0.299 | C | S | . | . | H | α-helix | trans | -84.4 | -36.5 | 178.3 | -132.1 | 81.4 | 0 | 0 | 0 | 111.7 | L1240 V1243 V1273 M1277 P1278 N1282 R1283 L1284 | L1240-L1280 HydrophobicContact CD1-CD1 3.44Å; L1240-L1280 VanDerWaalsContact CD1-CD1 3.44Å; L1240-L1280 HydrophobicContact CD1-CD2 3.72Å; L1240-L1280 HydrophobicContact CD1-CG 3.44Å; L1240-L1280 VanDerWaalsContact CD1-CG 3.44Å; L1240-L1280 HydrophobicContact CG-CD1 4.45Å; V1243-L1280 HydrophobicContact CB-CD2 3.96Å; V1243-L1280 HydrophobicContact CG1-CD2 3.74Å; V1243-L1280 HydrophobicContact CG2-CD2 4.4Å; V1273-L1280 HydrophobicContact CG1-CB 4.26Å; M1277-L1280 HydrophobicContact CB-CB 3.89Å; M1277-L1280 WeakPolarHBondContact O-CA 3.15Å; M1277-L1280 WeakPolarHBondContact O-CB 3.18Å; M1277-L1280 PolarHBondContact O-N 3.09Å; M1277-L1280 HydrophobicContact SD-CD2 4.01Å; P1278-L1280 PolarHBondContact O-N 3.41Å; L1280-N1282 PolarHBondContact O-N 3.01Å; L1280-R1283 CarbonylContact O-C 3.59Å; L1280-R1283 WeakPolarHBondContact O-CA 3.22Å; L1280-R1283 WeakPolarHBondContact O-CB 3.38Å; L1280-R1283 PolarHBondContact O-N 3.02Å; L1280-L1284 HydrophobicContact CB-CD1 4.26Å; L1280-L1284 HydrophobicContact CD2-CD1 3.9Å; L1280-L1284 HydrophobicContact CG-CD1 4.17Å; L1280-L1284 PolarHBondContact O-N 2.93Å |
| 1281 | A | 64.5 | Low | 63.3 | Low | 6 Ų | 6 | 65.3 Ų | 65.3 | 5% | 0.05 | 31% | 0.305 | C | S | . | . | H | α-helix | trans | -55.4 | -40 | -179.4 | 0 | 0 | 0 | 0 | 0 | 112.1 | V1273 R1274 M1277 P1278 R1283 L1284 | V1273-A1281 HydrophobicContact CG1-CB 4.08Å; R1274-A1281 HydrophobicContact CB-CB 4.33Å; R1274-A1281 HydrophobicContact CG-CB 3.51Å; M1277-A1281 PolarHBondContact O-N 2.89Å; P1278-A1281 PolarHBondContact O-N 3.2Å; A1281-R1283 PolarHBondContact O-N 3.47Å; A1281-L1284 PolarHBondContact O-N 3.39Å |
| 1282 | N | 60.5 | Low | 62.4 | Low | 128 Ų | 128 | 64.9 Ų | 64.9 | 68% | 0.684 | 31% | 0.311 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -70.5 | -17.1 | 176.6 | -70.4 | -14.8 | 0 | 0 | 0 | 113.9 | L1280 K1288 | L1280-N1282 PolarHBondContact O-N 3.01Å; N1282-K1288 WeakPolarHBondContact O-CE 3.34Å |
| 1283 | R | 60.9 | Low | 61.6 | Low | 179 Ų | 179 | 63.8 Ų | 63.8 | 68% | 0.675 | 31% | 0.306 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -95.6 | -27.9 | 175.9 | -67.6 | -173.1 | 177 | -172.9 | -0.3 | 112.7 | L1280 A1281 E1285 | L1280-R1283 CarbonylContact O-C 3.59Å; L1280-R1283 WeakPolarHBondContact O-CA 3.22Å; L1280-R1283 WeakPolarHBondContact O-CB 3.38Å; L1280-R1283 PolarHBondContact O-N 3.02Å; A1281-R1283 PolarHBondContact O-N 3.47Å; R1283-E1285 PolarHBondContact O-N 3.16Å |
| 1284 | L | 63.7 | Low | 61.4 | Low | 0 Ų | 0 | 65.7 Ų | 65.7 | 0% | 0 | 32% | 0.319 | C | S | . | . | trans | -78.8 | 97.2 | 176.9 | -75.8 | 161.1 | 0 | 0 | 0 | 109.4 | V1243 H1244 V1247 V1273 L1280 A1281 D1286 C1287 K1288 | V1243-L1284 HydrophobicContact CG1-CD1 4.01Å; H1244-L1284 HydrophobicContact CB-CD2 3.77Å; H1244-L1284 WeakPolarHBondContact CD2-CD2 3.06Å; V1247-L1284 HydrophobicContact CB-CD2 4.45Å; V1247-L1284 HydrophobicContact CG2-CD1 4.3Å; V1247-L1284 HydrophobicContact CG2-CD2 4.48Å; V1273-L1284 HydrophobicContact CG1-CD1 3.48Å; V1273-L1284 VanDerWaalsContact CG1-CD1 3.48Å; V1273-L1284 HydrophobicContact CG2-CD1 4.32Å; L1280-L1284 HydrophobicContact CB-CD1 4.26Å; L1280-L1284 HydrophobicContact CD2-CD1 3.9Å; L1280-L1284 HydrophobicContact CG-CD1 4.17Å; L1280-L1284 PolarHBondContact O-N 2.93Å; A1281-L1284 PolarHBondContact O-N 3.39Å; L1284-D1286 PolarHBondContact O-N 2.79Å; L1284-C1287 HydrophobicContact CB-CB 4.06Å; L1284-C1287 WeakPolarHBondContact O-CA 3.37Å; L1284-C1287 PolarHBondContact O-N 3.44Å; L1284-K1288 PolarHBondContact O-N 3.29Å | ||
| 1285 | E | 60.6 | Low | 61 | Low | 63 Ų | 63 | 62.4 Ų | 62.4 | 29% | 0.294 | 31% | 0.308 | S | S | . | . | G | 310 helix | trans | -59 | -33.3 | -176.5 | -72.7 | 179.7 | 143.3 | 0 | 0 | 113.4 | Y969 R1283 C1287 K1288 R1297 | Y969-E1285 PolarHBondContact OH-OE2 3.13Å; R1283-E1285 PolarHBondContact O-N 3.16Å; E1285-C1287 PolarHBondContact O-N 3.28Å; E1285-K1288 HydrophobicContact CG-CD 4.25Å; E1285-K1288 WeakPolarHBondContact O-CB 3.39Å; E1285-K1288 PolarHBondContact O-N 3.12Å; E1285-K1288 VanDerWaalsContact O-N 3.09Å; E1285-R1297 VanDerWaalsContact CD-NH2 3.3Å; E1285-R1297 IonicContact OE1-NH2 3.54Å; E1285-R1297 IonicContact OE2-CZ 3.85Å; E1285-R1297 IonicContact OE2-NH1 3.3Å; E1285-R1297 IonicContact OE2-NH2 3.49Å; E1285-R1297 PolarHBondContact OE2-NH2 2.86Å |
| 1286 | D | 62.7 | Low | 60.9 | Low | 17 Ų | 17 | 56.5 Ų | 56.5 | 9% | 0.091 | 28% | 0.281 | C | S | . | . | G | 310 helix | trans | -67.3 | -21.9 | 176.1 | -54.9 | -34.7 | 0 | 0 | 0 | 112.8 | V1247 Q1248 C1251 H1252 L1284 R1297 | V1247-D1286 HydrophobicContact CG1-CB 3.9Å; Q1248-D1286 WeakPolarHBondContact CG-OD2 3.44Å; C1251-D1286 HydrophobicContact CB-CB 4.21Å; H1252-D1286 IonicContact CE1-OD1 2.92Å; H1252-D1286 IonicContact NE2-OD1 3.57Å; H1252-D1286 IonicContact NE2-OD2 2.77Å; L1284-D1286 PolarHBondContact O-N 2.79Å; D1286-R1297 IonicContact OD1-CZ 3.78Å; D1286-R1297 IonicContact OD1-NH1 2.7Å; D1286-R1297 PolarHBondContact OD1-NH1 3.28Å |
| 1287 | C | 65.2 | Low | 60.9 | Low | 3 Ų | 3 | 51.8 Ų | 51.8 | 2% | 0.02 | 26% | 0.263 | C | S | . | . | G | 310 helix | trans | -94.6 | -2 | 174.6 | -64.5 | 0 | 0 | 0 | 0 | 113.7 | V1247 C1270 R1274 L1284 E1285 | V1247-C1287 VanDerWaalsContact CG1-SG 3.58Å; C1270-C1287 WeakPolarHBondContact CA-SG 3.4Å; C1270-C1287 HydrophobicContact CB-CB 3.63Å; C1270-C1287 WeakPolarHBondContact CB-SG 3.45Å; C1270-C1287 WeakPolarHBondContact SG-CA 3.23Å; C1270-C1287 WeakPolarHBondContact SG-CB 3.37Å; C1270-C1287 CovalentContact SG-SG 2.05Å; C1270-C1287 PolarHBondContact SG-SG 3.25Å; R1274-C1287 PolarHBondContact NE-O 3.4Å; R1274-C1287 PolarHBondContact NH2-O 3.17Å; L1284-C1287 HydrophobicContact CB-CB 4.06Å; L1284-C1287 WeakPolarHBondContact O-CA 3.37Å; L1284-C1287 PolarHBondContact O-N 3.44Å; E1285-C1287 PolarHBondContact O-N 3.28Å |
| 1288 | K | 61.2 | Low | 61.1 | Low | 106 Ų | 106 | 51.9 Ų | 51.9 | 46% | 0.461 | 26% | 0.262 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -76.5 | -27.6 | 175.5 | -70.9 | -178.8 | -177.2 | 170.6 | 0 | 112.7 | N1282 L1284 E1285 | N1282-K1288 WeakPolarHBondContact O-CE 3.34Å; L1284-K1288 PolarHBondContact O-N 3.29Å; E1285-K1288 HydrophobicContact CG-CD 4.25Å; E1285-K1288 WeakPolarHBondContact O-CB 3.39Å; E1285-K1288 PolarHBondContact O-N 3.12Å; E1285-K1288 VanDerWaalsContact O-N 3.09Å |
| 1289 | Q | 53.9 | Low | 61.4 | Low | 34 Ų | 34 | 49.8 Ų | 49.8 | 16% | 0.159 | 25% | 0.246 | C | C | . | . | S | Bend | trans | -90.7 | 139.5 | -179.5 | -69.9 | -178.9 | -14.3 | 0 | 0 | 111 | ||
| 1290 | P | 52.4 | Low | 62.3 | Low | 35 Ų | 35 | 43.6 Ų | 43.6 | 23% | 0.227 | 22% | 0.218 | C | C | . | . | trans | -76.1 | 141.8 | 171.7 | 24.8 | -27.2 | 0 | 0 | 0 | 110.5 | P603 W604 T1292 S1293 | P603-P1290 WeakPolarHBondContact O-CD 3.34Å; W604-P1290 WeakPolarHBondContact O-CG 3.49Å; P1290-T1292 PolarHBondContact O-N 2.88Å; P1290-S1293 WeakPolarHBondContact O-CB 3.44Å; P1290-S1293 PolarHBondContact O-N 3.3Å; P1290-S1293 PolarHBondContact O-OG 3.32Å | ||
| 1291 | L | 48 | Very low | 63.3 | Low | 27 Ų | 27 | 43 Ų | 43 | 14% | 0.141 | 22% | 0.215 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -54.9 | -24.4 | -180 | -73.8 | -171.1 | 0 | 0 | 0 | 115.3 | R1263 E1267 S1293 | R1263-L1291 HydrophobicContact CB-CD1 4.44Å; R1263-L1291 HydrophobicContact CB-CD2 3.83Å; R1263-L1291 HydrophobicContact CG-CD2 4.27Å; R1263-L1291 PolarHBondContact NH1-O 3.16Å; R1263-L1291 WeakPolarHBondContact O-CD1 3.17Å; R1263-L1291 WeakPolarHBondContact O-CD2 3.5Å; E1267-L1291 HydrophobicContact CB-CD1 3.1Å; E1267-L1291 HydrophobicContact CB-CD2 3.78Å; E1267-L1291 HydrophobicContact CB-CG 3.36Å; E1267-L1291 HydrophobicContact CG-CD1 3.66Å; E1267-L1291 HydrophobicContact CG-CG 3.8Å; L1291-S1293 PolarHBondContact O-N 3.48Å |
| 1292 | T | 49.3 | Very low | 64.4 | Low | 112 Ų | 112 | 43 Ų | 43 | 69% | 0.687 | 21% | 0.214 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -67.9 | -15.9 | 178.9 | 53.9 | 0 | 0 | 0 | 0 | 112.3 | P1290 | P1290-T1292 PolarHBondContact O-N 2.88Š|
| 1293 | S | 52.5 | Low | 65.6 | Low | 6 Ų | 6 | 37.2 Ų | 37.2 | 4% | 0.042 | 18% | 0.183 | C | C | . | . | trans | -80.5 | 116.5 | 178.1 | 64.7 | 0 | 0 | 0 | 0 | 111.3 | S605 R1263 P1290 L1291 T1295 | S605-S1293 WeakPolarHBondContact O-CB 3.41Å; R1263-S1293 PolarHBondContact NH1-O 3.37Å; R1263-S1293 PolarHBondContact NH2-O 3.24Å; P1290-S1293 WeakPolarHBondContact O-CB 3.44Å; P1290-S1293 PolarHBondContact O-N 3.3Å; P1290-S1293 PolarHBondContact O-OG 3.32Å; L1291-S1293 PolarHBondContact O-N 3.48Å; S1293-T1295 PolarHBondContact O-N 3.05Å | ||
| 1294 | C | 64.1 | Low | 66.7 | Low | 46 Ų | 46 | 31.1 Ų | 31.1 | 31% | 0.311 | 16% | 0.163 | S | C | . | . | trans | -77.5 | 2.1 | -177.6 | -60.1 | 0 | 0 | 0 | 0 | 115.3 | G975 C977 R1263 E1296 | G975-C1294 CarbonylContact C-O 3.57Å; C977-C1294 HydrophobicContact CB-CB 4.25Å; C977-C1294 WeakPolarHBondContact CB-SG 3.41Å; C977-C1294 PolarHBondContact N-SG 2.83Å; C977-C1294 WeakPolarHBondContact SG-CA 3.17Å; C977-C1294 WeakPolarHBondContact SG-CB 3.41Å; C977-C1294 CovalentContact SG-SG 2.05Å; C977-C1294 PolarHBondContact SG-SG 2.78Å; R1263-C1294 PolarHBondContact NH2-O 2.86Å; C1294-E1296 PolarHBondContact O-N 2.85Å | ||
| 1295 | T | 68.3 | Low | 67.2 | Low | 11 Ų | 11 | 32.7 Ų | 32.7 | 7% | 0.067 | 17% | 0.172 | C | C | . | . | trans | -59.8 | 125.5 | 173.8 | -49 | 0 | 0 | 0 | 0 | 110.9 | G606 Y971 D972 F973 S1293 | G606-T1295 PolarHBondContact O-OG1 2.87Å; Y971-T1295 HydrophobicContact CD1-CG2 4.35Å; D972-T1295 WeakPolarHBondContact O-CA 3.32Å; F973-T1295 HydrophobicContact CD1-CG2 3.42Å; F973-T1295 VanDerWaalsContact CD1-CG2 3.42Å; F973-T1295 HydrophobicContact CE1-CG2 3.61Å; F973-T1295 HydrophobicContact CG-CG2 4.28Å; S1293-T1295 PolarHBondContact O-N 3.05Å | ||
| 1296 | E | 67.2 | Low | 67.3 | Low | 30 Ų | 30 | 35.8 Ų | 35.8 | 14% | 0.14 | 19% | 0.19 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -94.2 | 146.6 | 172 | -69.6 | 172.2 | -166.4 | 0 | 0 | 109.8 | Y971 D972 C1294 F1298 | Y971-E1296 CarbonylContact C-O 3.51Å; Y971-E1296 WeakPolarHBondContact CA-O 3.45Å; D972-E1296 HydrophobicContact CB-CB 4.17Å; D972-E1296 PolarHBondContact N-O 2.95Å; D972-E1296 PolarHBondContact O-N 3.04Å; C1294-E1296 PolarHBondContact O-N 2.85Å; E1296-F1298 HydrophobicContact CB-CE2 3.82Å; E1296-F1298 HydrophobicContact CB-CZ 4.27Å |
| 1297 | R | 68.8 | Low | 66.4 | Low | 18 Ų | 18 | 41.8 Ų | 41.8 | 7% | 0.068 | 22% | 0.215 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.5 | 127.5 | -175.9 | -173.8 | -174.8 | -169.4 | -159.3 | 7.8 | 110.4 | Y969 Y971 E1285 D1286 | Y969-R1297 VanDerWaalsContact CG-NH2 3.32Å; Y971-R1297 HydrophobicContact CD1-CB 4.35Å; Y971-R1297 HydrophobicContact CD1-CG 4.09Å; Y971-R1297 HydrophobicContact CE1-CB 4.39Å; Y971-R1297 HydrophobicContact CE1-CG 3.76Å; E1285-R1297 VanDerWaalsContact CD-NH2 3.3Å; E1285-R1297 IonicContact OE1-NH2 3.54Å; E1285-R1297 IonicContact OE2-CZ 3.85Å; E1285-R1297 IonicContact OE2-NH1 3.3Å; E1285-R1297 IonicContact OE2-NH2 3.49Å; E1285-R1297 PolarHBondContact OE2-NH2 2.86Å; D1286-R1297 IonicContact OD1-CZ 3.78Å; D1286-R1297 IonicContact OD1-NH1 2.7Å; D1286-R1297 PolarHBondContact OD1-NH1 3.28Å |
| 1298 | F | 71.6 | Confident | 64.8 | Low | 48 Ų | 48 | 46.6 Ų | 46.6 | 21% | 0.211 | 25% | 0.249 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.1 | 151.2 | 178 | -62.3 | -86.7 | 0 | 0 | 0 | 110.6 | Y637 L970 D972 E1296 | Y637-F1298 VanDerWaalsContact CB-CG 3.48Å; Y637-F1298 HydrophobicContact CD1-CB 4.39Å; Y637-F1298 AromaticContact CD1-CD2 3.7Å; Y637-F1298 HydrophobicContact CD1-CD2 3.7Å; Y637-F1298 HydrophobicContact CD1-CE2 4.29Å; Y637-F1298 HydrophobicContact CD1-CG 4.16Å; Y637-F1298 HydrophobicContact CD2-CD2 4.17Å; Y637-F1298 HydrophobicContact CD2-CE2 4.02Å; Y637-F1298 HydrophobicContact CD2-CZ 4.38Å; Y637-F1298 HydrophobicContact CE1-CD2 4.33Å; Y637-F1298 HydrophobicContact CE2-CE2 4.45Å; Y637-F1298 HydrophobicContact CG-CB 4.41Å; Y637-F1298 HydrophobicContact CG-CD1 4.43Å; Y637-F1298 AromaticContact CG-CD2 3.62Å; Y637-F1298 HydrophobicContact CG-CD2 3.62Å; Y637-F1298 AromaticContact CG-CE2 3.96Å; Y637-F1298 HydrophobicContact CG-CE2 3.96Å; Y637-F1298 AromaticContact CG-CG 3.9Å; Y637-F1298 HydrophobicContact CG-CG 3.9Å; Y637-F1298 HydrophobicContact CG-CZ 4.49Å; L970-F1298 HydrophobicContact CB-CB 4.08Å; L970-F1298 PolarHBondContact N-O 3.39Å; L970-F1298 PolarHBondContact O-N 3.25Å; D972-F1298 HydrophobicContact CB-CD2 4.32Å; D972-F1298 HydrophobicContact CB-CE2 3.82Å; E1296-F1298 HydrophobicContact CB-CE2 3.82Å; E1296-F1298 HydrophobicContact CB-CZ 4.27Å |
| 1299 | I | 69.8 | Low | 63.4 | Low | 31 Ų | 31 | 50.2 Ų | 50.2 | 16% | 0.159 | 27% | 0.265 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.9 | 121.4 | 171.9 | -50.2 | -180 | 0 | 0 | 0 | 106.4 | K949 E967 Y969 Y1301 | K949-I1299 VanDerWaalsContact NZ-CD1 3.3Å; E967-I1299 HydrophobicContact CG-CG2 3.69Å; Y969-I1299 HydrophobicContact CD1-CD1 4.21Å; Y969-I1299 HydrophobicContact CD1-CG1 3.73Å; Y969-I1299 HydrophobicContact CE1-CD1 3.57Å; Y969-I1299 HydrophobicContact CE1-CG1 3.62Å; Y969-I1299 HydrophobicContact CE1-CG2 4.45Å; I1299-Y1301 HydrophobicContact CG2-CE1 4.41Å; I1299-Y1301 HydrophobicContact CG2-CE2 4.08Å |
| 1300 | T | 79.5 | Confident | 62 | Low | 2 Ų | 2 | 57.9 Ų | 57.9 | 1% | 0.012 | 30% | 0.301 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.7 | 157.4 | 176.7 | -176.1 | 0 | 0 | 0 | 0 | 109.5 | H638 M640 I968 L970 | H638-T1300 PolarHBondContact O-OG1 2.78Å; M640-T1300 HydrophobicContact CB-CG2 4.01Å; M640-T1300 HydrophobicContact CE-CG2 3.64Å; M640-T1300 HydrophobicContact CG-CG2 3.64Å; M640-T1300 HydrophobicContact SD-CG2 4.5Å; I968-T1300 HydrophobicContact CB-CG2 4.09Å; I968-T1300 PolarHBondContact N-O 2.56Å; I968-T1300 PolarHBondContact O-N 2.96Å; L970-T1300 HydrophobicContact CD1-CG2 3.64Å; L970-T1300 HydrophobicContact CG-CG2 4.03Å |
| 1301 | Y | 85.1 | Confident | 60.9 | Low | 2 Ų | 2 | 64.9 Ų | 64.9 | 1% | 0.008 | 33% | 0.328 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.5 | 150.2 | -178.2 | -64.3 | -77.4 | 0 | 0 | 0 | 109.7 | A931 A932 K949 V956 V960 L965 N966 E967 I1299 | A931-Y1301 VanDerWaalsContact CA-O 3.24Å; A931-Y1301 WeakPolarHBondContact CA-O 3.29Å; A932-Y1301 HydrophobicContact CB-CD2 4.49Å; A932-Y1301 HydrophobicContact CB-CG 4.42Å; K949-Y1301 HydrophobicContact CB-CE2 3.89Å; K949-Y1301 HydrophobicContact CD-CE2 4.28Å; K949-Y1301 WeakPolarHBondContact CD-OH 3.46Å; K949-Y1301 WeakPolarHBondContact CE-OH 3.42Å; K949-Y1301 HydrophobicContact CG-CE2 4.42Å; K949-Y1301 PolarHBondContact NZ-OH 3.44Å; V956-Y1301 HydrophobicContact CG1-CD1 4.22Å; V956-Y1301 HydrophobicContact CG1-CE1 3.6Å; V956-Y1301 HydrophobicContact CG1-CE2 4.24Å; V960-Y1301 HydrophobicContact CG2-CD1 4.38Å; V960-Y1301 HydrophobicContact CG2-CE1 4.07Å; L965-Y1301 HydrophobicContact CB-CD1 4.24Å; L965-Y1301 HydrophobicContact CD1-CD1 4.41Å; N966-Y1301 VanDerWaalsContact O-CA 3.31Å; N966-Y1301 WeakPolarHBondContact O-CA 3.39Å; E967-Y1301 HydrophobicContact CB-CD1 4.15Å; E967-Y1301 HydrophobicContact CB-CE1 3.71Å; E967-Y1301 HydrophobicContact CG-CD1 4.42Å; E967-Y1301 HydrophobicContact CG-CE1 3.66Å; E967-Y1301 PolarHBondContact OE1-OH 2.8Å; I1299-Y1301 HydrophobicContact CG2-CE1 4.41Å; I1299-Y1301 HydrophobicContact CG2-CE2 4.08Å |
| 1302 | N | 87.6 | Confident | 60 | Low | 5 Ų | 5 | 69 Ų | 69 | 3% | 0.027 | 36% | 0.356 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.9 | 132.8 | 168.2 | -89.6 | -33.8 | 0 | 0 | 0 | 109.7 | M640 Q930 N966 I1304 | M640-N1302 PolarHBondContact O-ND2 3.29Å; M640-N1302 PolarHBondContact O-OD1 3.39Å; Q930-N1302 WeakPolarHBondContact O-CA 3.33Å; N966-N1302 PolarHBondContact N-O 3.42Å; N966-N1302 PolarHBondContact O-N 3.04Å; N966-N1302 VanDerWaalsContact O-N 3.09Å; N1302-I1304 PolarHBondContact O-N 3.42Å |
| 1303 | V | 86.3 | Confident | 59 | Low | 6 Ų | 6 | 70.2 Ų | 70.2 | 4% | 0.036 | 36% | 0.358 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -69.3 | 125.2 | 174.5 | 179.6 | 0 | 0 | 0 | 0 | 110.2 | Y843 Q930 I964 L965 L1305 F1357 | Y843-V1303 PolarHBondContact OH-O 2.81Å; Q930-V1303 PolarHBondContact O-N 2.75Å; I964-V1303 CarbonylContact O-C 3.4Å; I964-V1303 WeakPolarHBondContact O-CA 3.42Å; L965-V1303 HydrophobicContact CD2-CB 4.47Å; L965-V1303 HydrophobicContact CD2-CG2 3.67Å; V1303-L1305 PolarHBondContact O-N 2.79Å; V1303-F1357 HydrophobicContact CB-CE1 4.24Å; V1303-F1357 HydrophobicContact CB-CE2 4.11Å; V1303-F1357 HydrophobicContact CB-CZ 3.78Å; V1303-F1357 HydrophobicContact CG1-CD1 4.35Å; V1303-F1357 HydrophobicContact CG1-CE1 3.58Å; V1303-F1357 HydrophobicContact CG1-CE2 4.35Å; V1303-F1357 HydrophobicContact CG1-CZ 3.58Å; V1303-F1357 HydrophobicContact CG2-CD2 4.1Å; V1303-F1357 HydrophobicContact CG2-CE1 4.26Å; V1303-F1357 HydrophobicContact CG2-CE2 3.82Å; V1303-F1357 HydrophobicContact CG2-CG 4.48Å; V1303-F1357 HydrophobicContact CG2-CZ 3.91Å |
| 1304 | I | 84.1 | Confident | 57.8 | Low | 52 Ų | 52 | 77.8 Ų | 77.8 | 27% | 0.267 | 40% | 0.398 | S | S | . | . | trans | -76.2 | 115.2 | 180 | -62.5 | 165.8 | 0 | 0 | 0 | 109.4 | S963 I964 N966 N1302 | S963-I1304 WeakPolarHBondContact O-CD1 3.35Å; I964-I1304 PolarHBondContact O-N 3.21Å; N966-I1304 HydrophobicContact CB-CD1 4.05Å; N966-I1304 HydrophobicContact CB-CG1 3.96Å; N1302-I1304 PolarHBondContact O-N 3.42Å | ||
| 1305 | L | 73.8 | Confident | 56.1 | Low | 33 Ų | 33 | 83 Ų | 83 | 17% | 0.173 | 42% | 0.418 | C | S | . | . | trans | -87.7 | -15.9 | -171.6 | -65.4 | 166.4 | 0 | 0 | 0 | 115.3 | Y843 L844 V1303 F1357 | Y843-L1305 HydrophobicContact CD1-CD1 3.77Å; Y843-L1305 HydrophobicContact CE1-CD1 3.58Å; Y843-L1305 HydrophobicContact CE1-CG 4.09Å; Y843-L1305 HydrophobicContact CG-CD1 4.41Å; Y843-L1305 WeakPolarHBondContact O-CD1 3.41Å; L844-L1305 HydrophobicContact CD2-CD1 3.96Å; L844-L1305 HydrophobicContact CD2-CD2 3.89Å; V1303-L1305 PolarHBondContact O-N 2.79Å; L1305-F1357 HydrophobicContact CD2-CZ 4.48Å | ||
| 1306 | N | 61.2 | Low | 54.1 | Low | 127 Ų | 127 | 91.3 Ų | 91.3 | 68% | 0.679 | 46% | 0.455 | S | S | * | . | trans | -141.8 | 125 | -171.8 | -81.8 | -31.4 | 0 | 0 | 0 | 112.9 | ||||
| 1307 | K | 43.9 | Very low | 52.1 | Low | 143 Ų | 143 | 95 Ų | 95 | 62% | 0.622 | 49% | 0.485 | S | S | * | . | trans | -98.2 | 26.2 | 167.1 | -84.3 | -170.1 | -179.2 | 177.8 | 0 | 113.9 | K1309 | K1307-K1309 PolarHBondContact O-N 3.44Š| ||
| 1308 | S | 32.3 | Very low | 50.2 | Low | 105 Ų | 105 | 100.4 Ų | 100.4 | 73% | 0.734 | 52% | 0.522 | S | S | * | . | trans | -81.9 | 49.4 | 167.7 | 68.4 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 1309 | K | 31.1 | Very low | 48 | Very low | 182 Ų | 182 | 106.1 Ų | 106.1 | 79% | 0.791 | 55% | 0.554 | S | S | * | * | trans | -105.7 | 101 | 159.8 | -84.4 | -174.5 | 177.8 | 177.1 | 0 | 106.3 | K1307 F1311 | K1307-K1309 PolarHBondContact O-N 3.44Å; K1309-F1311 PolarHBondContact O-N 2.76Å | ||
| 1310 | Q | 25.6 | Very low | 45.9 | Very low | 195 Ų | 195 | 114.2 Ų | 114.2 | 91% | 0.911 | 59% | 0.588 | S | S | * | * | trans | -47.9 | 109.3 | 166.3 | -83 | 171.9 | -35.3 | 0 | 0 | 108.1 | ||||
| 1311 | F | 28.6 | Very low | 43.3 | Very low | 182 Ų | 182 | 118.9 Ų | 118.9 | 80% | 0.798 | 63% | 0.627 | S | S | * | * | trans | -62.4 | 135.2 | 168.3 | -80.6 | -88 | 0 | 0 | 0 | 108.1 | K1309 N1313 | K1309-F1311 PolarHBondContact O-N 2.76Å; F1311-N1313 PolarHBondContact O-N 2.79Å | ||
| 1312 | P | 30 | Very low | 40.4 | Very low | 113 Ų | 113 | 125 Ų | 125 | 73% | 0.734 | 66% | 0.664 | S | S | * | * | trans | -60 | 132.9 | 175.6 | -11.3 | 24.9 | 0 | 0 | 0 | 108.4 | D1314 | P1312-D1314 PolarHBondContact O-N 3.29Š| ||
| 1313 | N | 27.4 | Very low | 37.4 | Very low | 137 Ų | 137 | 133.5 Ų | 133.5 | 73% | 0.733 | 70% | 0.704 | S | S | * | * | trans | -58.2 | 89.6 | -176.3 | -69.4 | -40.4 | 0 | 0 | 0 | 112.2 | F1311 H1315 | F1311-N1313 PolarHBondContact O-N 2.79Å; N1313-H1315 VanDerWaalsContact C-N 3.29Å; N1313-H1315 PolarHBondContact O-N 3.48Å; N1313-H1315 VanDerWaalsContact O-N 3.1Å | ||
| 1314 | D | 27.8 | Very low | 34.5 | Very low | 165 Ų | 165 | 140.1 Ų | 140.1 | 88% | 0.882 | 74% | 0.74 | S | S | * | * | trans | -78.1 | 89 | 157.6 | -88.2 | -22 | 0 | 0 | 0 | 108.2 | P1312 H1316 | P1312-D1314 PolarHBondContact O-N 3.29Å; D1314-H1316 PolarHBondContact O-N 2.8Å; D1314-H1316 VanDerWaalsContact O-N 3.1Å | ||
| 1315 | H | 27.1 | Very low | 31.6 | Very low | 155 Ų | 155 | 145.8 Ų | 145.8 | 72% | 0.718 | 77% | 0.77 | S | S | * | * | trans | -55.6 | 108.1 | 163 | -76.3 | -76 | 0 | 0 | 0 | 108.8 | N1313 | N1313-H1315 VanDerWaalsContact C-N 3.29Å; N1313-H1315 PolarHBondContact O-N 3.48Å; N1313-H1315 VanDerWaalsContact O-N 3.1Å | ||
| 1316 | H | 26.8 | Very low | 29.2 | Very low | 186 Ų | 186 | 151.4 Ų | 151.4 | 86% | 0.861 | 80% | 0.8 | S | S | * | * | trans | 172.2 | 88.1 | 140.8 | -85.4 | -53.4 | 0 | 0 | 0 | 111.2 | D1314 | D1314-H1316 PolarHBondContact O-N 2.8Å; D1314-H1316 VanDerWaalsContact O-N 3.1Å | ||
| 1317 | S | 26.1 | Very low | 27.4 | Very low | 109 Ų | 109 | 150.6 Ų | 150.6 | 76% | 0.762 | 80% | 0.804 | S | S | * | * | trans | 166.8 | 125.8 | 134.9 | 47.7 | 0 | 0 | 0 | 0 | 110.5 | L1319 | S1317-L1319 PolarHBondContact O-N 3.47Š| ||
| 1318 | P | 28.8 | Very low | 26.5 | Very low | 131 Ų | 131 | 150.9 Ų | 150.9 | 85% | 0.851 | 81% | 0.809 | S | S | * | * | trans | -92.2 | 99.2 | -173.6 | 34.2 | -28.9 | 0 | 0 | 0 | 110.6 | ||||
| 1319 | L | 25.6 | Very low | 26.8 | Very low | 168 Ų | 168 | 152.6 Ų | 152.6 | 88% | 0.88 | 81% | 0.81 | S | S | * | * | trans | -98.4 | 110.9 | 161.8 | -87.8 | 154.9 | 0 | 0 | 0 | 108.6 | S1317 A1321 | S1317-L1319 PolarHBondContact O-N 3.47Å; L1319-A1321 PolarHBondContact O-N 3.45Å | ||
| 1320 | K | 25.2 | Very low | 27.7 | Very low | 200 Ų | 200 | 150.9 Ų | 150.9 | 87% | 0.87 | 81% | 0.81 | S | S | * | * | trans | -51.6 | 118.2 | 178.4 | -75.6 | 174.5 | 173.2 | 177.2 | 0 | 110.5 | T1322 | K1320-T1322 PolarHBondContact O-N 2.96Å; K1320-T1322 VanDerWaalsContact O-N 3.13Å | ||
| 1321 | A | 25.1 | Very low | 29.3 | Very low | 101 Ų | 101 | 144.1 Ų | 144.1 | 84% | 0.835 | 78% | 0.78 | S | S | * | * | trans | -64.7 | 105.2 | 167.6 | 0 | 0 | 0 | 0 | 0 | 109.4 | L1319 | L1319-A1321 PolarHBondContact O-N 3.45Š| ||
| 1322 | T | 24.8 | Very low | 31.3 | Very low | 129 Ų | 129 | 137 Ų | 137 | 79% | 0.791 | 75% | 0.75 | S | S | * | * | trans | -77.7 | 118.7 | 161.2 | 40.8 | 0 | 0 | 0 | 0 | 108.5 | K1320 N1324 | K1320-T1322 PolarHBondContact O-N 2.96Å; K1320-T1322 VanDerWaalsContact O-N 3.13Å; T1322-N1324 PolarHBondContact O-N 3.25Å | ||
| 1323 | E | 23.2 | Very low | 33.7 | Very low | 185 Ų | 185 | 134 Ų | 134 | 86% | 0.864 | 73% | 0.726 | S | S | * | * | trans | -51.4 | 105.1 | 173.6 | -67.8 | 173.1 | 149.5 | 0 | 0 | 111.2 | ||||
| 1324 | N | 25.2 | Very low | 36.5 | Very low | 145 Ų | 145 | 130.1 Ų | 130.1 | 78% | 0.775 | 71% | 0.707 | S | S | * | * | trans | -141.6 | 94.2 | 153.4 | -93.3 | -25.9 | 0 | 0 | 0 | 106.1 | T1322 L1326 | T1322-N1324 PolarHBondContact O-N 3.25Å; N1324-L1326 PolarHBondContact O-N 3.44Å | ||
| 1325 | N | 23.2 | Very low | 39.3 | Very low | 170 Ų | 170 | 122.6 Ų | 122.6 | 91% | 0.909 | 67% | 0.669 | S | S | * | * | trans | -66.1 | 75.1 | 172.9 | -76.8 | -26.9 | 0 | 0 | 0 | 110 | ||||
| 1326 | L | 24 | Very low | 42 | Very low | 152 Ų | 152 | 118.6 Ų | 118.6 | 80% | 0.796 | 65% | 0.65 | S | S | * | * | trans | -89.8 | 96.9 | 155 | -88.7 | 152.1 | 0 | 0 | 0 | 105.8 | N1324 M1328 | N1324-L1326 PolarHBondContact O-N 3.44Å; L1326-M1328 PolarHBondContact O-N 3.4Å | ||
| 1327 | S | 24.1 | Very low | 44.5 | Very low | 110 Ų | 110 | 110.5 Ų | 110.5 | 77% | 0.769 | 61% | 0.612 | S | S | * | * | trans | -60.9 | 92.8 | 163.2 | 58.7 | 0 | 0 | 0 | 0 | 107.3 | N1329 | S1327-N1329 PolarHBondContact O-N 2.8Å; S1327-N1329 VanDerWaalsContact O-N 3.09Å | ||
| 1328 | M | 24.6 | Very low | 46.8 | Very low | 148 Ų | 148 | 107.9 Ų | 107.9 | 73% | 0.729 | 59% | 0.593 | S | S | * | * | trans | -59.3 | 114.1 | 169.5 | -82.7 | -174.9 | 140.5 | 0 | 0 | 106.9 | L1326 D1330 | L1326-M1328 PolarHBondContact O-N 3.4Å; M1328-D1330 PolarHBondContact O-N 3.44Å | ||
| 1329 | N | 38.6 | Very low | 48.8 | Very low | 141 Ų | 141 | 107 Ų | 107 | 75% | 0.754 | 58% | 0.581 | S | S | * | * | trans | -56.1 | 122.2 | 166 | -85.9 | -27.4 | 0 | 0 | 0 | 107.5 | S1327 N1331 | S1327-N1329 PolarHBondContact O-N 2.8Å; S1327-N1329 VanDerWaalsContact O-N 3.09Å; N1329-N1331 PolarHBondContact O-N 2.84Å | ||
| 1330 | D | 50 | Low | 50.5 | Low | 146 Ų | 146 | 106 Ų | 106 | 78% | 0.781 | 57% | 0.572 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -61.1 | 9.8 | -155.3 | -81.8 | -45.3 | 0 | 0 | 0 | 119 | M1328 | M1328-D1330 PolarHBondContact O-N 3.44Š|
| 1331 | N | 59.1 | Low | 52 | Low | 54 Ų | 54 | 99.8 Ų | 99.8 | 29% | 0.289 | 55% | 0.553 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -140.1 | 21.5 | -173.8 | -72.7 | -45.5 | 0 | 0 | 0 | 115.7 | N1329 | N1329-N1331 PolarHBondContact O-N 2.84Š|
| 1332 | D | 69.9 | Low | 53.7 | Low | 33 Ų | 33 | 96.2 Ų | 96.2 | 18% | 0.176 | 53% | 0.526 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.5 | 108.3 | 170.7 | -179.1 | 29 | 0 | 0 | 0 | 109.6 | K30 | K30-D1332 WeakPolarHBondContact CE-OD2 3.36Å; K30-D1332 IonicContact NZ-OD2 3.89Å; K30-D1332 PolarHBondContact NZ-OD2 3.44Å |
| 1333 | F | 82.2 | Confident | 56 | Low | 50 Ų | 50 | 90.2 Ų | 90.2 | 22% | 0.219 | 49% | 0.49 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.2 | 141.2 | -179.1 | -58.2 | -79.8 | 0 | 0 | 0 | 111.4 | I964 W1346 W1347 I1348 | I964-F1333 HydrophobicContact CD1-CB 3.45Å; I964-F1333 VanDerWaalsContact CD1-CB 3.45Å; I964-F1333 HydrophobicContact CD1-CD1 4.3Å; I964-F1333 HydrophobicContact CD1-CD2 4.36Å; I964-F1333 HydrophobicContact CD1-CG 3.81Å; I964-F1333 HydrophobicContact CG1-CB 4.12Å; I964-F1333 HydrophobicContact CG1-CD1 4.18Å; I964-F1333 HydrophobicContact CG1-CD2 4.17Å; I964-F1333 HydrophobicContact CG1-CG 3.9Å; F1333-W1346 HydrophobicContact CB-CZ3 4.06Å; F1333-W1347 WeakPolarHBondContact O-CA 3.37Å; F1333-I1348 HydrophobicContact CB-CG2 3.83Å; F1333-I1348 HydrophobicContact CD2-CG2 4.43Å; F1333-I1348 PolarHBondContact N-O 3.24Å; F1333-I1348 VanDerWaalsContact N-O 3.15Å; F1333-I1348 PolarHBondContact O-N 2.8Å |
| 1334 | T | 86 | Confident | 58.9 | Low | 54 Ų | 54 | 84.3 Ų | 84.3 | 33% | 0.331 | 46% | 0.46 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.3 | 143.8 | 177.3 | 85.7 | 0 | 0 | 0 | 0 | 109.6 | W1346 W1347 | T1334-W1346 WeakPolarHBondContact CA-O 3.46Å; T1334-W1347 HydrophobicContact CG2-CG 4.04Å |
| 1335 | G | 85.6 | Confident | 61.8 | Low | 8 Ų | 8 | 80.6 Ų | 80.6 | 8% | 0.082 | 44% | 0.435 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -149.9 | 172.2 | 175.3 | 0 | 0 | 0 | 0 | 0 | 112.7 | R1345 W1346 | G1335-R1345 CarbonylContact O-C 3.5Å; G1335-R1345 VanDerWaalsContact O-CA 3.29Å; G1335-R1345 WeakPolarHBondContact O-CA 3.27Å; G1335-R1345 WeakPolarHBondContact O-CG 3.46Å; G1335-W1346 VanDerWaalsContact CA-CE2 3.48Å; G1335-W1346 VanDerWaalsContact CA-CZ2 3.41Å; G1335-W1346 PolarHBondContact N-O 3.35Å; G1335-W1346 VanDerWaalsContact N-O 3.1Å; G1335-W1346 PolarHBondContact O-N 2.78Å |
| 1336 | E | 84.4 | Confident | 65 | Low | 71 Ų | 71 | 72.6 Ų | 72.6 | 33% | 0.332 | 39% | 0.392 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.8 | 137.4 | 179.2 | -72.9 | -179.8 | 172.3 | 0 | 0 | 110.3 | R1344 R1345 | E1336-R1344 CarbonylContact C-O 3.52Å; E1336-R1344 VanDerWaalsContact CA-O 3.25Å; E1336-R1344 WeakPolarHBondContact CA-O 3.39Å; E1336-R1345 HydrophobicContact CG-CB 4.09Å; E1336-R1345 HydrophobicContact CG-CG 3.67Å; E1336-R1345 IonicContact OE1-CZ 3.71Å; E1336-R1345 IonicContact OE1-NE 2.71Å; E1336-R1345 PolarHBondContact OE1-NE 2.73Å; E1336-R1345 IonicContact OE1-NH1 2.97Å; E1336-R1345 PolarHBondContact OE1-NH1 3.25Å; E1336-R1345 IonicContact OE1-NH2 3.1Å; E1336-R1345 PolarHBondContact OE1-NH2 3.34Å |
| 1337 | Y | 79.8 | Confident | 68.2 | Low | 16 Ų | 16 | 65.5 Ų | 65.5 | 6% | 0.063 | 36% | 0.355 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -142.5 | 167.5 | 178.3 | 75.7 | -75 | 0 | 0 | 0 | 111.4 | N952 A954 L955 D958 N1339 R1344 W1346 N1361 | N952-Y1337 PolarHBondContact ND2-OH 3.2Å; N952-Y1337 PolarHBondContact OD1-OH 3.31Å; A954-Y1337 HydrophobicContact CB-CD2 3.85Å; A954-Y1337 HydrophobicContact CB-CE2 3.59Å; L955-Y1337 HydrophobicContact CB-CE1 4.35Å; L955-Y1337 HydrophobicContact CD1-CE1 4Å; D958-Y1337 HydrophobicContact CB-CG 4.39Å; Y1337-N1339 VanDerWaalsContact C-N 3.33Å; Y1337-N1339 PolarHBondContact O-N 2.78Å; Y1337-R1344 HydrophobicContact CD1-CB 3.9Å; Y1337-R1344 HydrophobicContact CE1-CB 3.44Å; Y1337-R1344 VanDerWaalsContact CE1-CB 3.44Å; Y1337-R1344 HydrophobicContact CE1-CG 4.48Å; Y1337-R1344 HydrophobicContact CE2-CB 4.45Å; Y1337-R1344 PolarHBondContact N-O 3.11Å; Y1337-R1344 PolarHBondContact O-N 2.81Å; Y1337-W1346 AromaticContact CD1-CD1 3.65Å; Y1337-W1346 AromaticContact CE1-CD1 3.88Å; Y1337-N1361 PolarHBondContact OH-ND2 3.2Å |
| 1338 | C | 74.4 | Confident | 71.5 | Confident | 53 Ų | 53 | 60.4 Ų | 60.4 | 36% | 0.358 | 32% | 0.319 | S | S | . | . | trans | 55.9 | 39.4 | -178.6 | -72.4 | 0 | 0 | 0 | 0 | 114.7 | E1340 C1341 G1343 | C1338-E1340 PolarHBondContact O-N 2.76Å; C1338-C1341 HydrophobicContact CB-CB 4.29Å; C1338-C1341 PolarHBondContact O-N 3.44Å; C1338-G1343 WeakPolarHBondContact O-CA 3.45Å; C1338-G1343 PolarHBondContact O-N 2.76Å | ||
| 1339 | N | 69 | Low | 74.7 | Confident | 113 Ų | 113 | 55.5 Ų | 55.5 | 60% | 0.604 | 29% | 0.293 | S | S | * | . | G | 310 helix | trans | -55 | -27.7 | -178.7 | -65.1 | -8.9 | 0 | 0 | 0 | 114 | Y1337 | Y1337-N1339 VanDerWaalsContact C-N 3.33Å; Y1337-N1339 PolarHBondContact O-N 2.78Å |
| 1340 | E | 61.8 | Low | 77.2 | Confident | 147 Ų | 147 | 49.5 Ų | 49.5 | 69% | 0.687 | 26% | 0.261 | S | S | * | . | G | 310 helix | trans | -77.1 | -22.5 | 177.4 | -60.9 | -176.3 | -172.8 | 0 | 0 | 113.7 | I1235 C1338 | I1235-E1340 WeakPolarHBondContact CD1-OE1 3.44Å; I1235-E1340 WeakPolarHBondContact CG1-OE1 3.37Å; I1235-E1340 WeakPolarHBondContact CG2-OE1 3.41Å; I1235-E1340 WeakPolarHBondContact CG2-OE2 3.14Å; C1338-E1340 PolarHBondContact O-N 2.76Å |
| 1341 | C | 57.1 | Low | 79.3 | Confident | 70 Ų | 70 | 42.6 Ų | 42.6 | 47% | 0.473 | 22% | 0.223 | S | C | . | . | G | 310 helix | trans | -99.4 | 21.2 | -179.1 | -95.8 | 0 | 0 | 0 | 0 | 112.8 | C1338 C1372 | C1338-C1341 HydrophobicContact CB-CB 4.29Å; C1338-C1341 PolarHBondContact O-N 3.44Å; C1341-C1372 HydrophobicContact CB-CB 4.26Å; C1341-C1372 WeakPolarHBondContact CB-SG 3.25Å; C1341-C1372 WeakPolarHBondContact SG-CB 3.35Å; C1341-C1372 CovalentContact SG-SG 2.07Å; C1341-C1372 PolarHBondContact SG-SG 3.38Å |
| 1342 | G | 60.7 | Low | 80.9 | Confident | 25 Ų | 25 | 43 Ų | 43 | 26% | 0.258 | 23% | 0.229 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 99.6 | -7.2 | -176.3 | 0 | 0 | 0 | 0 | 0 | 115 | ||
| 1343 | G | 73.1 | Confident | 81.8 | Confident | 4 Ų | 4 | 47.7 Ų | 47.7 | 4% | 0.041 | 25% | 0.248 | C | C | . | . | trans | 74.1 | 130 | 176.7 | 0 | 0 | 0 | 0 | 0 | 113.3 | C1338 L1364 | C1338-G1343 WeakPolarHBondContact O-CA 3.45Å; C1338-G1343 PolarHBondContact O-N 2.76Å; G1343-L1364 PolarHBondContact O-N 2.99Å; G1343-L1364 VanDerWaalsContact O-N 3.12Å | ||
| 1344 | R | 83.2 | Confident | 82.4 | Confident | 60 Ų | 60 | 45.4 Ų | 45.4 | 23% | 0.226 | 24% | 0.238 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.7 | 139.8 | 170.4 | -62.8 | -165.2 | 76.2 | 139.7 | 1.4 | 109.3 | D924 E1336 Y1337 N1361 V1362 | D924-R1344 IonicContact OD2-CZ 3.23Å; D924-R1344 IonicContact OD2-NH2 3.05Å; D924-R1344 PolarHBondContact OD2-NH2 2.91Å; E1336-R1344 CarbonylContact C-O 3.52Å; E1336-R1344 VanDerWaalsContact CA-O 3.25Å; E1336-R1344 WeakPolarHBondContact CA-O 3.39Å; Y1337-R1344 HydrophobicContact CD1-CB 3.9Å; Y1337-R1344 HydrophobicContact CE1-CB 3.44Å; Y1337-R1344 VanDerWaalsContact CE1-CB 3.44Å; Y1337-R1344 HydrophobicContact CE1-CG 4.48Å; Y1337-R1344 HydrophobicContact CE2-CB 4.45Å; Y1337-R1344 PolarHBondContact N-O 3.11Å; Y1337-R1344 PolarHBondContact O-N 2.81Å; R1344-N1361 PolarHBondContact NE-ND2 3.32Å; R1344-N1361 PolarHBondContact NE-OD1 2.94Å; R1344-V1362 CarbonylContact C-O 3.39Å; R1344-V1362 VanDerWaalsContact CA-O 3.28Å; R1344-V1362 WeakPolarHBondContact CA-O 3.42Å |
| 1345 | R | 87.1 | Confident | 82.8 | Confident | 68 Ų | 68 | 42.9 Ų | 42.9 | 26% | 0.257 | 22% | 0.223 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.5 | 133.9 | -179.2 | -160.7 | 173.6 | -140 | 157.5 | 11.5 | 109.1 | G1335 E1336 W1347 V1362 L1364 | G1335-R1345 CarbonylContact O-C 3.5Å; G1335-R1345 VanDerWaalsContact O-CA 3.29Å; G1335-R1345 WeakPolarHBondContact O-CA 3.27Å; G1335-R1345 WeakPolarHBondContact O-CG 3.46Å; E1336-R1345 HydrophobicContact CG-CB 4.09Å; E1336-R1345 HydrophobicContact CG-CG 3.67Å; E1336-R1345 IonicContact OE1-CZ 3.71Å; E1336-R1345 IonicContact OE1-NE 2.71Å; E1336-R1345 PolarHBondContact OE1-NE 2.73Å; E1336-R1345 IonicContact OE1-NH1 2.97Å; E1336-R1345 PolarHBondContact OE1-NH1 3.25Å; E1336-R1345 IonicContact OE1-NH2 3.1Å; E1336-R1345 PolarHBondContact OE1-NH2 3.34Å; R1345-W1347 HydrophobicContact CB-CH2 3.97Å; R1345-W1347 HydrophobicContact CB-CZ3 3.88Å; R1345-W1347 HydrophobicContact CG-CH2 3.68Å; R1345-W1347 HydrophobicContact CG-CZ2 4.15Å; R1345-W1347 HydrophobicContact CG-CZ3 3.88Å; R1345-W1347 WeakPolarHBondContact O-CZ3 3.25Å; R1345-V1362 PolarHBondContact N-O 3.41Å; R1345-V1362 PolarHBondContact O-N 3.4Å; R1345-L1364 HydrophobicContact CB-CD2 4.48Å |
| 1346 | W | 90.7 | Very high | 83.2 | Confident | 1 Ų | 1 | 42.5 Ų | 42.5 | 0% | 0.004 | 22% | 0.219 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.1 | 153.9 | 179.9 | 55.6 | -97.8 | 0 | 0 | 0 | 111.9 | L955 D958 L959 H962 I964 F1333 T1334 G1335 Y1337 I1348 L1359 I1360 | L955-W1346 HydrophobicContact CD1-CB 3.63Å; L955-W1346 HydrophobicContact CD1-CD2 4.23Å; L955-W1346 HydrophobicContact CD1-CG 3.43Å; L955-W1346 VanDerWaalsContact CD1-CG 3.43Å; D958-W1346 WeakPolarHBondContact OD2-CZ2 3.24Å; D958-W1346 PolarHBondContact OD2-NE1 3.21Å; L959-W1346 HydrophobicContact CD2-CD2 3.84Å; L959-W1346 HydrophobicContact CD2-CE3 3.6Å; L959-W1346 HydrophobicContact CD2-CH2 3.73Å; L959-W1346 HydrophobicContact CD2-CZ2 3.85Å; L959-W1346 HydrophobicContact CD2-CZ3 3.56Å; H962-W1346 HydrophobicContact CB-CH2 4.38Å; H962-W1346 HydrophobicContact CB-CZ2 4.46Å; H962-W1346 AromaticContact ND1-CZ2 3.8Å; I964-W1346 HydrophobicContact CD1-CH2 3.12Å; I964-W1346 HydrophobicContact CD1-CZ2 4.18Å; I964-W1346 HydrophobicContact CD1-CZ3 3.38Å; F1333-W1346 HydrophobicContact CB-CZ3 4.06Å; T1334-W1346 WeakPolarHBondContact CA-O 3.46Å; G1335-W1346 VanDerWaalsContact CA-CE2 3.48Å; G1335-W1346 VanDerWaalsContact CA-CZ2 3.41Å; G1335-W1346 PolarHBondContact N-O 3.35Å; G1335-W1346 VanDerWaalsContact N-O 3.1Å; G1335-W1346 PolarHBondContact O-N 2.78Å; Y1337-W1346 AromaticContact CD1-CD1 3.65Å; Y1337-W1346 AromaticContact CE1-CD1 3.88Å; W1346-I1348 HydrophobicContact CE3-CG2 4.13Å; W1346-I1348 HydrophobicContact CZ3-CG2 3.82Å; W1346-L1359 HydrophobicContact CB-CD1 4.42Å; W1346-I1360 CarbonylContact C-O 3.53Å; W1346-I1360 WeakPolarHBondContact CA-O 3.09Å; W1346-I1360 VanDerWaalsContact CB-O 3.3Å; W1346-I1360 WeakPolarHBondContact CB-O 3.18Å |
| 1347 | W | 91.1 | Very high | 83.7 | Confident | 4 Ų | 4 | 39.5 Ų | 39.5 | 2% | 0.015 | 20% | 0.204 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -132.2 | 134.8 | 173.5 | -67.9 | -107.1 | 0 | 0 | 0 | 108.9 | Y26 I29 F33 F1333 T1334 R1345 L1359 I1360 V1362 | Y26-W1347 HydrophobicContact CD2-CH2 4.28Å; Y26-W1347 AromaticContact CD2-CZ2 3.54Å; Y26-W1347 HydrophobicContact CD2-CZ2 3.54Å; Y26-W1347 AromaticContact CE2-CE2 3.96Å; Y26-W1347 HydrophobicContact CE2-CH2 4.39Å; Y26-W1347 AromaticContact CE2-CZ2 3.37Å; Y26-W1347 HydrophobicContact CE2-CZ2 3.37Å; Y26-W1347 AromaticContact CE2-NE1 4Å; I29-W1347 HydrophobicContact CG2-CH2 4.17Å; I29-W1347 HydrophobicContact CG2-CZ2 4.31Å; I29-W1347 HydrophobicContact CG2-CZ3 4.34Å; F33-W1347 HydrophobicContact CD1-CB 4.12Å; F33-W1347 HydrophobicContact CE1-CB 3.81Å; F33-W1347 HydrophobicContact CE2-CB 4.32Å; F33-W1347 HydrophobicContact CG-CB 4.48Å; F33-W1347 HydrophobicContact CZ-CB 3.89Å; F1333-W1347 WeakPolarHBondContact O-CA 3.37Å; T1334-W1347 HydrophobicContact CG2-CG 4.04Å; R1345-W1347 HydrophobicContact CB-CH2 3.97Å; R1345-W1347 HydrophobicContact CB-CZ3 3.88Å; R1345-W1347 HydrophobicContact CG-CH2 3.68Å; R1345-W1347 HydrophobicContact CG-CZ2 4.15Å; R1345-W1347 HydrophobicContact CG-CZ3 3.88Å; R1345-W1347 WeakPolarHBondContact O-CZ3 3.25Å; W1347-L1359 CarbonylContact O-C 3.59Å; W1347-L1359 WeakPolarHBondContact O-CA 3.3Å; W1347-I1360 PolarHBondContact N-O 3.34Å; W1347-I1360 PolarHBondContact O-N 2.86Å; W1347-V1362 HydrophobicContact CE3-CG2 4.29Å; W1347-V1362 HydrophobicContact CZ3-CB 4.03Å; W1347-V1362 HydrophobicContact CZ3-CG2 3.66Å |
| 1348 | I | 92.5 | Very high | 84.5 | Confident | 3 Ų | 3 | 38.7 Ų | 38.7 | 2% | 0.015 | 20% | 0.201 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -134.9 | 135 | 177 | -172.2 | 173.4 | 0 | 0 | 0 | 110.3 | I928 L959 I964 F1333 W1346 F1357 L1358 L1359 | I928-I1348 HydrophobicContact CD1-CD1 4.05Å; L959-I1348 HydrophobicContact CD2-CG2 4.27Å; I964-I1348 HydrophobicContact CD1-CG2 4.11Å; I964-I1348 HydrophobicContact CG2-CD1 4.26Å; I964-I1348 HydrophobicContact CG2-CG2 4.07Å; F1333-I1348 HydrophobicContact CB-CG2 3.83Å; F1333-I1348 HydrophobicContact CD2-CG2 4.43Å; F1333-I1348 PolarHBondContact N-O 3.24Å; F1333-I1348 VanDerWaalsContact N-O 3.15Å; F1333-I1348 PolarHBondContact O-N 2.8Å; W1346-I1348 HydrophobicContact CE3-CG2 4.13Å; W1346-I1348 HydrophobicContact CZ3-CG2 3.82Å; I1348-F1357 HydrophobicContact CD1-CB 4.3Å; I1348-F1357 HydrophobicContact CG1-CB 4.16Å; I1348-F1357 HydrophobicContact CG1-CD1 4.45Å; I1348-L1358 WeakPolarHBondContact CA-O 3.43Å; I1348-L1359 HydrophobicContact CB-CD1 3.94Å; I1348-L1359 HydrophobicContact CD1-CD1 4.48Å; I1348-L1359 HydrophobicContact CG1-CD1 4.4Å |
| 1349 | K | 92.4 | Very high | 85.4 | Confident | 45 Ų | 45 | 36.2 Ų | 36.2 | 20% | 0.196 | 18% | 0.184 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -149.4 | 134.8 | -179.5 | -168.9 | 172.6 | -169.7 | 179.2 | 0 | 110.8 | F33 D34 V37 F1357 L1358 | F33-K1349 HydrophobicContact CE1-CB 3.56Å; F33-K1349 HydrophobicContact CE1-CD 4.14Å; F33-K1349 HydrophobicContact CZ-CB 3.43Å; F33-K1349 VanDerWaalsContact CZ-CB 3.43Å; D34-K1349 IonicContact OD1-NZ 2.76Å; D34-K1349 PolarHBondContact OD1-NZ 3.27Å; V37-K1349 HydrophobicContact CB-CD 4.41Å; V37-K1349 HydrophobicContact CG1-CD 4.21Å; V37-K1349 HydrophobicContact CG1-CG 4.28Å; V37-K1349 HydrophobicContact CG2-CB 4.12Å; V37-K1349 HydrophobicContact CG2-CD 4.14Å; V37-K1349 HydrophobicContact CG2-CG 4.36Å; K1349-F1357 WeakPolarHBondContact O-CA 3.29Å; K1349-L1358 PolarHBondContact N-O 3.02Å; K1349-L1358 PolarHBondContact O-N 3.49Å |
| 1350 | K | 91.9 | Very high | 86.5 | Confident | 15 Ų | 15 | 30.8 Ų | 30.8 | 7% | 0.065 | 16% | 0.156 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -63.5 | 136.8 | 175.3 | -169 | 179.8 | 175.7 | -169.6 | 0 | 110.2 | V37 E846 P1352 T1354 F1357 | V37-K1350 WeakPolarHBondContact CG1-O 3.41Å; E846-K1350 IonicContact OE1-NZ 2.88Å; E846-K1350 PolarHBondContact OE1-NZ 2.89Å; E846-K1350 IonicContact OE2-NZ 3.8Å; E846-K1350 PolarHBondContact OE2-NZ 3.29Å; K1350-P1352 WeakPolarHBondContact O-CD 3.45Å; K1350-T1354 WeakPolarHBondContact CE-O 3.25Å; K1350-F1357 VanDerWaalsContact CA-CD1 3.44Å; K1350-F1357 HydrophobicContact CB-CD1 3.74Å; K1350-F1357 HydrophobicContact CB-CE1 3.47Å; K1350-F1357 VanDerWaalsContact CB-CE1 3.47Å; K1350-F1357 HydrophobicContact CB-CZ 4.16Å; K1350-F1357 HydrophobicContact CD-CE1 4.27Å; K1350-F1357 HydrophobicContact CD-CZ 4.15Å; K1350-F1357 HydrophobicContact CG-CD1 4.19Å; K1350-F1357 HydrophobicContact CG-CE1 3.73Å; K1350-F1357 HydrophobicContact CG-CE2 4.47Å; K1350-F1357 HydrophobicContact CG-CZ 3.88Å |
| 1351 | I | 93.5 | Very high | 87.8 | Confident | 0 Ų | 0 | 23.8 Ų | 23.8 | 0% | 0 | 12% | 0.123 | C | C | . | . | P | Polyproline II helix | trans | -83 | 117.1 | 169.3 | -58.1 | 175.4 | 0 | 0 | 0 | 107.5 | V37 L40 F44 T1354 L1356 L1358 | V37-I1351 HydrophobicContact CG1-CG1 4.49Å; L40-I1351 HydrophobicContact CB-CD1 4.21Å; L40-I1351 HydrophobicContact CB-CG2 4.34Å; L40-I1351 HydrophobicContact CD1-CD1 4.02Å; F44-I1351 HydrophobicContact CD2-CG2 4.16Å; F44-I1351 HydrophobicContact CE2-CD1 4.17Å; I1351-T1354 HydrophobicContact CG2-CG2 4.4Å; I1351-T1354 PolarHBondContact O-N 3.02Å; I1351-T1354 PolarHBondContact O-OG1 3.43Å; I1351-T1354 VanDerWaalsContact O-OG1 3.08Å; I1351-L1356 HydrophobicContact CD1-CB 4.03Å; I1351-L1356 PolarHBondContact N-O 3.1Å; I1351-L1358 HydrophobicContact CD1-CB 4.47Å; I1351-L1358 HydrophobicContact CG1-CB 4.46Å |
| 1352 | P | 91.4 | Very high | 89.2 | Confident | 62 Ų | 62 | 21.1 Ų | 21.1 | 40% | 0.403 | 10% | 0.104 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -57.3 | 142.7 | -175.8 | -26.2 | 31.4 | 0 | 0 | 0 | 113.6 | S41 K1350 T1354 | S41-P1352 PolarHBondContact OG-O 3.07Å; K1350-P1352 WeakPolarHBondContact O-CD 3.45Å; P1352-T1354 PolarHBondContact O-N 3.17Å |
| 1353 | K | 90.5 | Very high | 90.1 | Very high | 132 Ų | 132 | 22 Ų | 22 | 57% | 0.574 | 11% | 0.109 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 64.9 | 15.6 | -179.4 | -54.5 | -177.1 | 176.7 | -178.1 | 0 | 115.5 | L850 | L850-K1353 PolarHBondContact N-O 3.39Š|
| 1354 | T | 93.9 | Very high | 89.7 | Confident | 3 Ų | 3 | 24.9 Ų | 24.9 | 2% | 0.018 | 12% | 0.123 | C | C | . | . | B | Isolated β-bridge | trans | -130.8 | 169.9 | 173.1 | 74.2 | 0 | 0 | 0 | 0 | 110.6 | F44 L850 F852 K1350 I1351 P1352 L1356 | F44-T1354 HydrophobicContact CB-CG2 4.1Å; F44-T1354 HydrophobicContact CD2-CG2 4.15Å; L850-T1354 HydrophobicContact CB-CG2 4.5Å; L850-T1354 WeakPolarHBondContact O-CA 3.32Å; F852-T1354 HydrophobicContact CE2-CG2 3.86Å; K1350-T1354 WeakPolarHBondContact CE-O 3.25Å; I1351-T1354 HydrophobicContact CG2-CG2 4.4Å; I1351-T1354 PolarHBondContact O-N 3.02Å; I1351-T1354 PolarHBondContact O-OG1 3.43Å; I1351-T1354 VanDerWaalsContact O-OG1 3.08Å; P1352-T1354 PolarHBondContact O-N 3.17Å; T1354-L1356 WeakPolarHBondContact OG1-CB 3.42Å; T1354-L1356 PolarHBondContact OG1-N 3.18Å; T1354-L1356 VanDerWaalsContact OG1-N 3.15Å |
| 1355 | N | 93.8 | Very high | 88.2 | Confident | 1 Ų | 1 | 26 Ų | 26 | 1% | 0.005 | 14% | 0.14 | C | C | . | . | S | Bend | trans | -85.7 | 13 | 168.5 | 70.8 | -43.4 | 0 | 0 | 0 | 113.4 | T840 L844 L850 F852 N929 Q930 | T840-N1355 HydrophobicContact CG2-CB 3.76Å; L844-N1355 HydrophobicContact CD1-CB 3.62Å; L850-N1355 PolarHBondContact O-N 3.48Å; L850-N1355 PolarHBondContact O-OD1 3.3Å; F852-N1355 PolarHBondContact N-OD1 3.01Å; F852-N1355 PolarHBondContact O-ND2 3.39Å; N929-N1355 CarbonylContact C-O 3.57Å; N929-N1355 WeakPolarHBondContact CA-O 3.45Å; Q930-N1355 PolarHBondContact N-O 2.83Å; Q930-N1355 PolarHBondContact OE1-ND2 2.88Å; Q930-N1355 PolarHBondContact OE1-O 3.33Å |
| 1356 | L | 95.3 | Very high | 86.4 | Confident | 0 Ų | 0 | 26.5 Ų | 26.5 | 0% | 0 | 17% | 0.166 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.3 | 152.5 | -171.1 | -58.1 | 175.9 | 0 | 0 | 0 | 112.4 | F44 F852 I927 I928 N929 L935 I1351 T1354 | F44-L1356 HydrophobicContact CD2-CD1 4.4Å; F44-L1356 HydrophobicContact CE2-CD1 3.87Å; F44-L1356 HydrophobicContact CZ-CD1 4.34Å; F852-L1356 HydrophobicContact CB-CD1 4.17Å; F852-L1356 HydrophobicContact CB-CD2 3.99Å; F852-L1356 HydrophobicContact CB-CG 4.24Å; F852-L1356 HydrophobicContact CD1-CD1 4.24Å; F852-L1356 HydrophobicContact CD2-CD1 3.56Å; F852-L1356 HydrophobicContact CD2-CG 3.95Å; F852-L1356 HydrophobicContact CE2-CD1 3.94Å; F852-L1356 HydrophobicContact CG-CD1 3.73Å; F852-L1356 HydrophobicContact CG-CD2 4.47Å; F852-L1356 HydrophobicContact CG-CG 4.23Å; F852-L1356 HydrophobicContact CZ-CD1 4.42Å; I927-L1356 HydrophobicContact CG2-CB 4.05Å; I927-L1356 HydrophobicContact CG2-CD1 3.91Å; I927-L1356 HydrophobicContact CG2-CD2 4.09Å; I927-L1356 HydrophobicContact CG2-CG 4.25Å; I928-L1356 CarbonylContact O-C 3.6Å; I928-L1356 VanDerWaalsContact O-CA 3.32Å; I928-L1356 WeakPolarHBondContact O-CA 3.41Å; N929-L1356 HydrophobicContact CB-CD2 4.16Å; L935-L1356 HydrophobicContact CD2-CD1 3.77Å; L935-L1356 HydrophobicContact CD2-CD2 3.7Å; L935-L1356 HydrophobicContact CD2-CG 4.39Å; I1351-L1356 HydrophobicContact CD1-CB 4.03Å; I1351-L1356 PolarHBondContact N-O 3.1Å; T1354-L1356 WeakPolarHBondContact OG1-CB 3.42Å; T1354-L1356 PolarHBondContact OG1-N 3.18Å; T1354-L1356 VanDerWaalsContact OG1-N 3.15Å |
| 1357 | F | 94.9 | Very high | 83.8 | Confident | 7 Ų | 7 | 28.9 Ų | 28.9 | 3% | 0.031 | 18% | 0.183 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.7 | 137 | 176.2 | -62.1 | -102.6 | 0 | 0 | 0 | 108.9 | I927 I928 Q930 V1303 L1305 I1348 K1349 K1350 | I927-F1357 WeakPolarHBondContact CA-O 3.49Å; I928-F1357 HydrophobicContact CD1-CB 4.48Å; I928-F1357 HydrophobicContact CG1-CB 3.89Å; I928-F1357 PolarHBondContact N-O 3.05Å; I928-F1357 PolarHBondContact O-N 3.48Å; Q930-F1357 HydrophobicContact CB-CE2 4.14Å; V1303-F1357 HydrophobicContact CB-CE1 4.24Å; V1303-F1357 HydrophobicContact CB-CE2 4.11Å; V1303-F1357 HydrophobicContact CB-CZ 3.78Å; V1303-F1357 HydrophobicContact CG1-CD1 4.35Å; V1303-F1357 HydrophobicContact CG1-CE1 3.58Å; V1303-F1357 HydrophobicContact CG1-CE2 4.35Å; V1303-F1357 HydrophobicContact CG1-CZ 3.58Å; V1303-F1357 HydrophobicContact CG2-CD2 4.1Å; V1303-F1357 HydrophobicContact CG2-CE1 4.26Å; V1303-F1357 HydrophobicContact CG2-CE2 3.82Å; V1303-F1357 HydrophobicContact CG2-CG 4.48Å; V1303-F1357 HydrophobicContact CG2-CZ 3.91Å; L1305-F1357 HydrophobicContact CD2-CZ 4.48Å; I1348-F1357 HydrophobicContact CD1-CB 4.3Å; I1348-F1357 HydrophobicContact CG1-CB 4.16Å; I1348-F1357 HydrophobicContact CG1-CD1 4.45Å; K1349-F1357 WeakPolarHBondContact O-CA 3.29Å; K1350-F1357 VanDerWaalsContact CA-CD1 3.44Å; K1350-F1357 HydrophobicContact CB-CD1 3.74Å; K1350-F1357 HydrophobicContact CB-CE1 3.47Å; K1350-F1357 VanDerWaalsContact CB-CE1 3.47Å; K1350-F1357 HydrophobicContact CB-CZ 4.16Å; K1350-F1357 HydrophobicContact CD-CE1 4.27Å; K1350-F1357 HydrophobicContact CD-CZ 4.15Å; K1350-F1357 HydrophobicContact CG-CD1 4.19Å; K1350-F1357 HydrophobicContact CG-CE1 3.73Å; K1350-F1357 HydrophobicContact CG-CE2 4.47Å; K1350-F1357 HydrophobicContact CG-CZ 3.88Å |
| 1358 | L | 95.3 | Very high | 81.1 | Confident | 0 Ų | 0 | 37 Ų | 37 | 0% | 0 | 22% | 0.221 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -90.3 | 126.1 | 168.7 | -175.7 | 66.4 | 0 | 0 | 0 | 108.1 | F33 W36 V37 L40 F903 I927 I1348 K1349 I1351 | F33-L1358 HydrophobicContact CD2-CD2 3.7Å; F33-L1358 HydrophobicContact CD2-CG 4.22Å; F33-L1358 HydrophobicContact CE2-CB 4.06Å; F33-L1358 HydrophobicContact CE2-CD2 3.71Å; F33-L1358 HydrophobicContact CE2-CG 3.77Å; W36-L1358 HydrophobicContact CB-CD2 3.93Å; V37-L1358 HydrophobicContact CG2-CB 3.95Å; V37-L1358 HydrophobicContact CG2-CD2 3.72Å; V37-L1358 HydrophobicContact CG2-CG 4.46Å; L40-L1358 HydrophobicContact CD1-CD1 4.15Å; L40-L1358 HydrophobicContact CD1-CD2 4.14Å; F903-L1358 HydrophobicContact CE2-CD1 3.82Å; I927-L1358 HydrophobicContact CG1-CD1 4.28Å; I1348-L1358 WeakPolarHBondContact CA-O 3.43Å; K1349-L1358 PolarHBondContact N-O 3.02Å; K1349-L1358 PolarHBondContact O-N 3.49Å; I1351-L1358 HydrophobicContact CD1-CB 4.47Å; I1351-L1358 HydrophobicContact CG1-CB 4.46Å |
| 1359 | L | 94 | Very high | 78.2 | Confident | 0 Ų | 0 | 42.4 Ų | 42.4 | 0% | 0 | 26% | 0.255 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.6 | 127.7 | 178.6 | 172.9 | 67.9 | 0 | 0 | 0 | 109.4 | C925 Y926 I928 L948 L955 W1346 W1347 I1348 | C925-L1359 CarbonylContact C-O 3.39Å; C925-L1359 WeakPolarHBondContact CA-O 3.27Å; Y926-L1359 HydrophobicContact CD2-CD2 4.23Å; Y926-L1359 HydrophobicContact CD2-CG 4.4Å; Y926-L1359 PolarHBondContact N-O 3.47Å; Y926-L1359 PolarHBondContact O-N 3.44Å; I928-L1359 HydrophobicContact CD1-CB 4.46Å; I928-L1359 HydrophobicContact CD1-CD2 4.23Å; L948-L1359 HydrophobicContact CD1-CD2 3.88Å; L948-L1359 HydrophobicContact CD2-CD2 3.38Å; L948-L1359 HydrophobicContact CG-CD2 4.28Å; L955-L1359 HydrophobicContact CD2-CD2 3.91Å; W1346-L1359 HydrophobicContact CB-CD1 4.42Å; W1347-L1359 CarbonylContact O-C 3.59Å; W1347-L1359 WeakPolarHBondContact O-CA 3.3Å; I1348-L1359 HydrophobicContact CB-CD1 3.94Å; I1348-L1359 HydrophobicContact CD1-CD1 4.48Å; I1348-L1359 HydrophobicContact CG1-CD1 4.4Å |
| 1360 | I | 92.3 | Very high | 75.3 | Confident | 0 Ų | 0 | 45 Ų | 45 | 0% | 0 | 27% | 0.274 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.2 | 137.1 | 171.9 | -54.4 | 178 | 0 | 0 | 0 | 108.4 | F33 W36 F923 D924 W1346 W1347 V1362 | F33-I1360 HydrophobicContact CB-CD1 3.94Å; F33-I1360 HydrophobicContact CD2-CD1 3.27Å; F33-I1360 HydrophobicContact CD2-CG1 3.79Å; F33-I1360 HydrophobicContact CE2-CD1 4.01Å; F33-I1360 HydrophobicContact CE2-CG1 4.02Å; F33-I1360 HydrophobicContact CG-CD1 3.95Å; W36-I1360 HydrophobicContact CE3-CD1 3.83Å; W36-I1360 HydrophobicContact CZ3-CD1 3.52Å; F923-I1360 HydrophobicContact CD1-CG2 4.07Å; F923-I1360 HydrophobicContact CE1-CD1 4.39Å; F923-I1360 HydrophobicContact CE1-CG2 3.51Å; F923-I1360 HydrophobicContact CE2-CG2 4.26Å; F923-I1360 HydrophobicContact CZ-CD1 4.37Å; F923-I1360 HydrophobicContact CZ-CG2 3.62Å; D924-I1360 CarbonylContact O-C 3.52Å; D924-I1360 WeakPolarHBondContact O-CA 3.07Å; W1346-I1360 CarbonylContact C-O 3.53Å; W1346-I1360 WeakPolarHBondContact CA-O 3.09Å; W1346-I1360 VanDerWaalsContact CB-O 3.3Å; W1346-I1360 WeakPolarHBondContact CB-O 3.18Å; W1347-I1360 PolarHBondContact N-O 3.34Å; W1347-I1360 PolarHBondContact O-N 2.86Å; I1360-V1362 HydrophobicContact CG2-CG2 3.55Å |
| 1361 | N | 89.1 | Confident | 72.2 | Confident | 0 Ų | 0 | 48.7 Ų | 48.7 | 0% | 0 | 29% | 0.294 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127 | 112.1 | 174 | -177 | 20.3 | 0 | 0 | 0 | 111 | D924 N952 L955 Y1337 R1344 | D924-N1361 PolarHBondContact N-O 2.97Å; D924-N1361 PolarHBondContact O-N 2.81Å; N952-N1361 PolarHBondContact ND2-ND2 3.26Å; L955-N1361 HydrophobicContact CD2-CB 4.15Å; Y1337-N1361 PolarHBondContact OH-ND2 3.2Å; R1344-N1361 PolarHBondContact NE-ND2 3.32Å; R1344-N1361 PolarHBondContact NE-OD1 2.94Å |
| 1362 | V | 86.5 | Confident | 69.2 | Low | 13 Ų | 13 | 52.3 Ų | 52.3 | 8% | 0.079 | 32% | 0.319 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.4 | 132.3 | -170.6 | -171.9 | 0 | 0 | 0 | 0 | 111 | G922 F923 R1344 R1345 W1347 I1360 | G922-V1362 CarbonylContact O-C 3.38Å; G922-V1362 VanDerWaalsContact O-CA 3.27Å; G922-V1362 WeakPolarHBondContact O-CA 2.84Å; F923-V1362 HydrophobicContact CD2-CB 4.16Å; F923-V1362 HydrophobicContact CD2-CG1 3.69Å; F923-V1362 HydrophobicContact CD2-CG2 3.48Å; F923-V1362 VanDerWaalsContact CD2-CG2 3.48Å; F923-V1362 HydrophobicContact CE2-CB 4.37Å; F923-V1362 HydrophobicContact CE2-CG1 4.08Å; F923-V1362 HydrophobicContact CE2-CG2 3.35Å; F923-V1362 HydrophobicContact CG-CG2 4.18Å; F923-V1362 HydrophobicContact CZ-CG2 4Å; R1344-V1362 CarbonylContact C-O 3.39Å; R1344-V1362 VanDerWaalsContact CA-O 3.28Å; R1344-V1362 WeakPolarHBondContact CA-O 3.42Å; R1345-V1362 PolarHBondContact N-O 3.41Å; R1345-V1362 PolarHBondContact O-N 3.4Å; W1347-V1362 HydrophobicContact CE3-CG2 4.29Å; W1347-V1362 HydrophobicContact CZ3-CB 4.03Å; W1347-V1362 HydrophobicContact CZ3-CG2 3.66Å; I1360-V1362 HydrophobicContact CG2-CG2 3.55Å |
| 1363 | A | 79.1 | Confident | 66.1 | Low | 43 Ų | 43 | 56.8 Ų | 56.8 | 36% | 0.355 | 33% | 0.332 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -80.8 | 132.1 | 167.4 | 0 | 0 | 0 | 0 | 0 | 110.6 | G922 S1365 | G922-A1363 PolarHBondContact O-N 2.93Å; A1363-S1365 PolarHBondContact O-N 2.89Å |
| 1364 | L | 65 | Low | 63.1 | Low | 66 Ų | 66 | 55.8 Ų | 55.8 | 35% | 0.346 | 33% | 0.325 | S | S | . | . | P | Polyproline II helix | trans | -72.7 | 124.9 | -178.9 | -67 | 167.9 | 0 | 0 | 0 | 111 | G1343 R1345 G1366 | G1343-L1364 PolarHBondContact O-N 2.99Å; G1343-L1364 VanDerWaalsContact O-N 3.12Å; R1345-L1364 HydrophobicContact CB-CD2 4.48Å; L1364-G1366 PolarHBondContact O-N 3.48Å |
| 1365 | S | 52.2 | Low | 59.8 | Low | 83 Ų | 83 | 63 Ų | 63 | 58% | 0.58 | 36% | 0.359 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -68.9 | 124 | 176.1 | 50 | 0 | 0 | 0 | 0 | 111.1 | A1363 | A1363-S1365 PolarHBondContact O-N 2.89Š|
| 1366 | G | 49.9 | Very low | 56.6 | Low | 78 Ų | 78 | 67.3 Ų | 67.3 | 80% | 0.804 | 39% | 0.389 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 129.5 | -19.9 | -179.4 | 0 | 0 | 0 | 0 | 0 | 113.5 | L1364 Q1368 | L1364-G1366 PolarHBondContact O-N 3.48Å; G1366-Q1368 PolarHBondContact O-N 3.32Å; G1366-Q1368 VanDerWaalsContact O-N 3.17Å |
| 1367 | S | 36.2 | Very low | 53.2 | Low | 52 Ų | 52 | 75.4 Ų | 75.4 | 36% | 0.364 | 42% | 0.424 | S | S | . | . | S | Bend | trans | -66.1 | 116.7 | 156.9 | 73.9 | 0 | 0 | 0 | 0 | 106.3 | T1369 | S1367-T1369 PolarHBondContact O-N 2.98Å; S1367-T1369 VanDerWaalsContact O-N 3.08Å |
| 1368 | Q | 33.2 | Very low | 50 | Low | 174 Ų | 174 | 80.9 Ų | 80.9 | 81% | 0.813 | 46% | 0.46 | S | S | * | . | trans | -44 | 129.6 | 148.3 | -74.5 | -174.7 | -11 | 0 | 0 | 104.4 | G1366 V1370 | G1366-Q1368 PolarHBondContact O-N 3.32Å; G1366-Q1368 VanDerWaalsContact O-N 3.17Å; Q1368-V1370 PolarHBondContact O-N 3.43Å | ||
| 1369 | T | 32.1 | Very low | 46.7 | Very low | 117 Ų | 117 | 91.5 Ų | 91.5 | 72% | 0.718 | 50% | 0.5 | S | S | * | . | trans | -57.6 | 78.7 | 163.5 | 49.2 | 0 | 0 | 0 | 0 | 106 | S1367 L1371 | S1367-T1369 PolarHBondContact O-N 2.98Å; S1367-T1369 VanDerWaalsContact O-N 3.08Å; T1369-L1371 PolarHBondContact O-N 3.11Å | ||
| 1370 | V | 30.6 | Very low | 43.6 | Very low | 98 Ų | 98 | 97.1 Ų | 97.1 | 59% | 0.594 | 54% | 0.536 | S | S | * | . | trans | -55.3 | 89.8 | 138.6 | -177.2 | 0 | 0 | 0 | 0 | 99.6 | Q1368 C1372 | Q1368-V1370 PolarHBondContact O-N 3.43Å; V1370-C1372 PolarHBondContact O-N 3.33Å | ||
| 1371 | L | 27.9 | Very low | 40.4 | Very low | 94 Ų | 94 | 103.7 Ų | 103.7 | 49% | 0.492 | 57% | 0.57 | S | S | . | * | trans | -36.6 | 100.9 | 160.7 | -112.1 | 77 | 0 | 0 | 0 | 103.5 | T1369 K1373 | T1369-L1371 PolarHBondContact O-N 3.11Å; L1371-K1373 CarbonylContact C-O 3.58Å; L1371-K1373 HydrophobicContact CB-CB 3.66Å; L1371-K1373 HydrophobicContact CD2-CB 3.56Å; L1371-K1373 HydrophobicContact CD2-CD 3.41Å; L1371-K1373 VanDerWaalsContact CD2-CD 3.41Å; L1371-K1373 HydrophobicContact CD2-CG 4.1Å; L1371-K1373 HydrophobicContact CG-CB 3.66Å; L1371-K1373 HydrophobicContact CG-CD 3.95Å; L1371-K1373 HydrophobicContact CG-CG 4.31Å; L1371-K1373 CarbonylContact O-C 3.59Å; L1371-K1373 PolarHBondContact O-N 2.68Å | ||
| 1372 | C | 29.8 | Very low | 37.4 | Very low | 76 Ų | 76 | 107.5 Ų | 107.5 | 51% | 0.514 | 60% | 0.602 | S | S | . | * | S | Bend | trans | -72 | 11.3 | 158.7 | -73.3 | 0 | 0 | 0 | 0 | 108.6 | C1341 V1370 Y1374 | C1341-C1372 HydrophobicContact CB-CB 4.26Å; C1341-C1372 WeakPolarHBondContact CB-SG 3.25Å; C1341-C1372 WeakPolarHBondContact SG-CB 3.35Å; C1341-C1372 CovalentContact SG-SG 2.07Å; C1341-C1372 PolarHBondContact SG-SG 3.38Å; V1370-C1372 PolarHBondContact O-N 3.33Å; C1372-Y1374 PolarHBondContact O-N 2.81Å |
| 1373 | K | 26 | Very low | 34.5 | Very low | 156 Ų | 156 | 116.6 Ų | 116.6 | 68% | 0.678 | 64% | 0.636 | S | S | * | * | S | Bend | -56 | 84.5 | 129.1 | -88.6 | 177.8 | 176.8 | 177.8 | 0 | 107.8 | L1371 Q1375 | L1371-K1373 CarbonylContact C-O 3.58Å; L1371-K1373 HydrophobicContact CB-CB 3.66Å; L1371-K1373 HydrophobicContact CD2-CB 3.56Å; L1371-K1373 HydrophobicContact CD2-CD 3.41Å; L1371-K1373 VanDerWaalsContact CD2-CD 3.41Å; L1371-K1373 HydrophobicContact CD2-CG 4.1Å; L1371-K1373 HydrophobicContact CG-CB 3.66Å; L1371-K1373 HydrophobicContact CG-CD 3.95Å; L1371-K1373 HydrophobicContact CG-CG 4.31Å; L1371-K1373 CarbonylContact O-C 3.59Å; L1371-K1373 PolarHBondContact O-N 2.68Å; K1373-Q1375 PolarHBondContact O-N 3.44Å | |
| 1374 | Y | 27.2 | Very low | 31.9 | Very low | 110 Ų | 110 | 124.7 Ų | 124.7 | 43% | 0.431 | 66% | 0.657 | S | S | . | * | trans | -8.1 | 111 | 142.4 | -135.5 | -70.9 | 0 | 0 | 0 | 109.6 | E1180 C1372 S1376 | E1180-Y1374 HydrophobicContact CB-CE1 3.85Å; E1180-Y1374 HydrophobicContact CG-CE1 3.85Å; E1180-Y1374 VanDerWaalsContact OE1-CE1 3.3Å; E1180-Y1374 WeakPolarHBondContact OE1-CE1 3.06Å; E1180-Y1374 WeakPolarHBondContact OE2-CE1 3.42Å; E1180-Y1374 PolarHBondContact OE2-OH 3.18Å; C1372-Y1374 PolarHBondContact O-N 2.81Å; Y1374-S1376 PolarHBondContact O-N 2.99Å | ||
| 1375 | Q | 24.8 | Very low | 30.4 | Very low | 156 Ų | 156 | 130.6 Ų | 130.6 | 73% | 0.729 | 68% | 0.68 | S | S | * | * | trans | -67.4 | 62.9 | -171.9 | -74.9 | -175.3 | -12.8 | 0 | 0 | 110.9 | K1373 K1377 | K1373-Q1375 PolarHBondContact O-N 3.44Å; Q1375-K1377 PolarHBondContact O-N 3.24Å | ||
| 1376 | S | 26.2 | Very low | 29.2 | Very low | 91 Ų | 91 | 134.1 Ų | 134.1 | 64% | 0.636 | 69% | 0.687 | S | S | * | * | trans | -66.8 | 76.5 | 148.8 | 64.1 | 0 | 0 | 0 | 0 | 105.6 | Y1374 P1378 | Y1374-S1376 PolarHBondContact O-N 2.99Å; S1376-P1378 WeakPolarHBondContact O-CD 2.99Å | ||
| 1377 | K | 24.5 | Very low | 28.2 | Very low | 170 Ų | 170 | 136.2 Ų | 136.2 | 74% | 0.739 | 69% | 0.687 | S | S | * | * | trans | -50.4 | 116 | 162.9 | -88.1 | -174.7 | 177.4 | 176.8 | 0 | 105.1 | Q1375 R1379 | Q1375-K1377 PolarHBondContact O-N 3.24Å; K1377-R1379 VanDerWaalsContact C-N 3.27Å; K1377-R1379 PolarHBondContact O-N 3.01Å | ||
| 1378 | P | 28 | Very low | 27.8 | Very low | 121 Ų | 121 | 141.1 Ų | 141.1 | 79% | 0.786 | 71% | 0.708 | S | S | * | * | trans | -68.8 | 96.6 | 179.3 | 27.8 | -29.6 | 0 | 0 | 0 | 105 | S1376 P1380 | S1376-P1378 WeakPolarHBondContact O-CD 2.99Å; P1378-P1380 WeakPolarHBondContact O-CD 3.48Å | ||
| 1379 | R | 25.4 | Very low | 27.6 | Very low | 223 Ų | 223 | 140.9 Ų | 140.9 | 84% | 0.842 | 71% | 0.709 | S | S | * | * | trans | -64.8 | 122.2 | 164.1 | -79.3 | -171 | -176.1 | -173 | 2.9 | 104.4 | K1377 I1381 | K1377-R1379 VanDerWaalsContact C-N 3.27Å; K1377-R1379 PolarHBondContact O-N 3.01Å; R1379-I1381 PolarHBondContact O-N 3.06Å | ||
| 1380 | P | 28.7 | Very low | 27.7 | Very low | 118 Ų | 118 | 141.2 Ų | 141.2 | 77% | 0.766 | 71% | 0.713 | S | S | * | * | trans | -54.7 | 121 | 172.6 | 23.3 | -29.9 | 0 | 0 | 0 | 105.5 | P1378 A1382 | P1378-P1380 WeakPolarHBondContact O-CD 3.48Å; P1380-A1382 PolarHBondContact O-N 2.85Å | ||
| 1381 | I | 26.3 | Very low | 27.7 | Very low | 138 Ų | 138 | 143.3 Ų | 143.3 | 71% | 0.708 | 72% | 0.721 | S | S | * | * | trans | -65.8 | 77.9 | 167.8 | -58.6 | 171 | 0 | 0 | 0 | 104.1 | R1379 Y1383 | R1379-I1381 PolarHBondContact O-N 3.06Å; I1381-Y1383 HydrophobicContact CG2-CD2 3.96Å; I1381-Y1383 HydrophobicContact CG2-CE2 3.95Å; I1381-Y1383 HydrophobicContact CG2-CG 4.42Å; I1381-Y1383 PolarHBondContact O-N 3.27Å | ||
| 1382 | A | 25.4 | Very low | 27.9 | Very low | 80 Ų | 80 | 148.5 Ų | 148.5 | 66% | 0.661 | 74% | 0.74 | S | S | * | * | trans | -64.6 | 95.4 | 157.4 | 0 | 0 | 0 | 0 | 0 | 103.2 | P1380 R1384 | P1380-A1382 PolarHBondContact O-N 2.85Å; A1382-R1384 PolarHBondContact O-N 2.67Å | ||
| 1383 | Y | 26.2 | Very low | 27.9 | Very low | 204 Ų | 204 | 149.5 Ų | 149.5 | 80% | 0.8 | 75% | 0.746 | S | S | * | * | trans | -48.8 | 90.8 | 160.4 | -80.2 | -90.9 | 0 | 0 | 0 | 106.3 | I1381 K1385 | I1381-Y1383 HydrophobicContact CG2-CD2 3.96Å; I1381-Y1383 HydrophobicContact CG2-CE2 3.95Å; I1381-Y1383 HydrophobicContact CG2-CG 4.42Å; I1381-Y1383 PolarHBondContact O-N 3.27Å; Y1383-K1385 VanDerWaalsContact C-N 3.28Å; Y1383-K1385 PolarHBondContact O-N 3.07Å | ||
| 1384 | R | 25.1 | Very low | 28.2 | Very low | 213 Ų | 213 | 150.8 Ų | 150.8 | 80% | 0.804 | 75% | 0.754 | S | S | * | * | trans | -65.2 | 100.5 | 170.6 | -92.3 | -171.9 | 177.6 | -177.1 | 0.2 | 104.7 | A1382 H1386 | A1382-R1384 PolarHBondContact O-N 2.67Å; R1384-H1386 PolarHBondContact O-N 2.72Å | ||
| 1385 | K | 32.6 | Very low | 28.3 | Very low | 190 Ų | 190 | 154.1 Ų | 154.1 | 83% | 0.826 | 78% | 0.776 | S | S | * | * | S | Bend | trans | -65 | 18.7 | 178.9 | -104.2 | -175.3 | 178.6 | -179.8 | 0 | 114.6 | Y1383 | Y1383-K1385 VanDerWaalsContact C-N 3.28Å; Y1383-K1385 PolarHBondContact O-N 3.07Å |
| 1386 | H | 26.8 | Very low | 28.8 | Very low | 158 Ų | 158 | 153.5 Ų | 153.5 | 73% | 0.731 | 78% | 0.782 | S | S | * | * | S | Bend | trans | -138 | 110.7 | 175.9 | -71 | -59.1 | 0 | 0 | 0 | 110.2 | R1384 L1388 | R1384-H1386 PolarHBondContact O-N 2.72Å; H1386-L1388 PolarHBondContact O-N 2.83Å |
| 1387 | P | 28.7 | Very low | 29 | Very low | 122 Ų | 122 | 156.1 Ų | 156.1 | 79% | 0.792 | 79% | 0.79 | S | S | * | * | P | Polyproline II helix | trans | -63.9 | 122.8 | 169.1 | 26.3 | -29.7 | 0 | 0 | 0 | 108.1 | M1389 | P1387-M1389 PolarHBondContact O-N 3.25Š|
| 1388 | L | 28.1 | Very low | 29.4 | Very low | 155 Ų | 155 | 155.2 Ų | 155.2 | 81% | 0.812 | 79% | 0.793 | S | S | * | * | P | Polyproline II helix | trans | -65.9 | 123.8 | 172.1 | -87 | 150 | 0 | 0 | 0 | 108.2 | H1386 | H1386-L1388 PolarHBondContact O-N 2.83Š|
| 1389 | M | 28.2 | Very low | 29.7 | Very low | 169 Ų | 169 | 155.1 Ų | 155.1 | 83% | 0.833 | 80% | 0.795 | S | S | * | * | P | Polyproline II helix | trans | -62.9 | 135.8 | -175.5 | -69.9 | -152.3 | 162.9 | 0 | 0 | 112 | P1387 N1391 | P1387-M1389 PolarHBondContact O-N 3.25Å; M1389-N1391 PolarHBondContact O-N 2.66Å |
| 1390 | P | 34.8 | Very low | 30 | Very low | 123 Ų | 123 | 153.5 Ų | 153.5 | 80% | 0.799 | 80% | 0.799 | S | S | * | * | trans | -86.8 | 73.2 | -173.2 | 35.9 | -33.8 | 0 | 0 | 0 | 110.6 | ||||
| 1391 | N | 30.7 | Very low | 30.1 | Very low | 143 Ų | 143 | 156.4 Ų | 156.4 | 77% | 0.765 | 80% | 0.803 | S | S | * | * | trans | -135.2 | 88.1 | 172.4 | -81.5 | -17.7 | 0 | 0 | 0 | 109.7 | M1389 | M1389-N1391 PolarHBondContact O-N 2.66Š| ||
| 1392 | K | 31.8 | Very low | 30.4 | Very low | 203 Ų | 203 | 158.3 Ų | 158.3 | 88% | 0.883 | 81% | 0.814 | S | S | * | * | trans | 177 | 26.9 | 153.3 | -101.1 | 172.7 | -173.1 | -172 | 0 | 115.2 | ||||
| 1393 | C | 30.2 | Very low | 30.6 | Very low | 97 Ų | 97 | 158.8 Ų | 158.8 | 66% | 0.655 | 81% | 0.813 | S | S | * | * | trans | -105.9 | 112.5 | 166.3 | -66.1 | 0 | 0 | 0 | 0 | 107.6 | ||||
| 1394 | H | 32.6 | Very low | 30.7 | Very low | 183 Ų | 183 | 154.5 Ų | 154.5 | 85% | 0.847 | 81% | 0.808 | S | S | * | * | trans | -102.5 | 122.8 | 170.4 | -85.4 | -72 | 0 | 0 | 0 | 108.9 | ||||
| 1395 | M | 29.1 | Very low | 30.9 | Very low | 179 Ų | 179 | 151.2 Ų | 151.2 | 88% | 0.882 | 81% | 0.805 | S | S | * | * | trans | -73.9 | 135 | 167.6 | -62 | -158.6 | -156.3 | 0 | 0 | 108.3 | ||||
| 1396 | V | 34.4 | Very low | 30.9 | Very low | 143 Ų | 143 | 146.5 Ų | 146.5 | 87% | 0.867 | 79% | 0.794 | S | S | * | * | trans | -108.8 | 123.3 | 171.3 | -179.2 | 0 | 0 | 0 | 0 | 107 | ||||
| 1397 | D | 32.3 | Very low | 31.2 | Very low | 147 Ų | 147 | 145.3 Ų | 145.3 | 79% | 0.786 | 80% | 0.799 | S | S | * | * | trans | -67.5 | 152.8 | -178 | -81.9 | -40 | 0 | 0 | 0 | 113.2 | ||||
| 1398 | D | 32.4 | Very low | 31.3 | Very low | 151 Ų | 151 | 146.7 Ų | 146.7 | 81% | 0.807 | 80% | 0.799 | S | S | * | * | S | Bend | trans | 84.5 | 110.8 | 165.9 | -63.9 | -27.5 | 0 | 0 | 0 | 119.9 | ||
| 1399 | S | 34.2 | Very low | 31.5 | Very low | 118 Ų | 118 | 142.8 Ų | 142.8 | 83% | 0.825 | 80% | 0.797 | S | S | * | * | S | Bend | trans | 88.6 | 91.3 | 162.8 | 70.3 | 0 | 0 | 0 | 0 | 119 | ||
| 1400 | M | 30.2 | Very low | 31.5 | Very low | 190 Ų | 190 | 140.7 Ų | 140.7 | 94% | 0.936 | 79% | 0.793 | S | S | * | * | S | Bend | trans | 42.7 | 78.3 | 146.8 | -63.7 | -174.7 | 95.8 | 0 | 0 | 118.3 | ||
| 1401 | E | 31.6 | Very low | 31.2 | Very low | 179 Ų | 179 | 140.1 Ų | 140.1 | 84% | 0.836 | 79% | 0.792 | S | S | * | * | trans | 169.4 | 109 | 135.2 | -97 | 176.3 | -177.6 | 0 | 0 | 107.3 | S1403 | E1401-S1403 PolarHBondContact O-N 3.05Š| ||
| 1402 | N | 32.4 | Very low | 31 | Very low | 178 Ų | 178 | 140.3 Ų | 140.3 | 95% | 0.952 | 79% | 0.793 | S | S | * | * | trans | -73.6 | 64.8 | -174.6 | -79.1 | -18.6 | 0 | 0 | 0 | 112.4 | ||||
| 1403 | S | 30.4 | Very low | 30.8 | Very low | 90 Ų | 90 | 139 Ų | 139 | 63% | 0.629 | 79% | 0.794 | S | S | * | * | trans | -88.9 | 114.3 | 164.4 | 62.2 | 0 | 0 | 0 | 0 | 109.9 | E1401 I1405 | E1401-S1403 PolarHBondContact O-N 3.05Å; S1403-I1405 PolarHBondContact O-N 3.1Å | ||
| 1404 | T | 28.6 | Very low | 30.9 | Very low | 114 Ų | 114 | 142.1 Ų | 142.1 | 70% | 0.699 | 80% | 0.8 | S | S | * | * | trans | -78.4 | 108 | 173.1 | -9.7 | 0 | 0 | 0 | 0 | 108.3 | ||||
| 1405 | I | 29.4 | Very low | 30.9 | Very low | 144 Ų | 144 | 141.7 Ų | 141.7 | 74% | 0.738 | 79% | 0.792 | S | S | * | * | trans | -93 | 109 | 178.7 | -61.4 | 175.6 | 0 | 0 | 0 | 109.3 | S1403 | S1403-I1405 PolarHBondContact O-N 3.1Š| ||
| 1406 | C | 32.6 | Very low | 31 | Very low | 90 Ų | 90 | 140.6 Ų | 140.6 | 61% | 0.608 | 78% | 0.784 | S | S | * | * | trans | -93.3 | 121.7 | 170.9 | -61.4 | 0 | 0 | 0 | 0 | 108.4 | D1408 | C1406-D1408 PolarHBondContact O-N 2.79Š| ||
| 1407 | T | 33.2 | Very low | 31.3 | Very low | 134 Ų | 134 | 137.8 Ų | 137.8 | 82% | 0.822 | 77% | 0.771 | S | S | * | * | trans | -86.8 | 113.8 | -179.3 | 46.8 | 0 | 0 | 0 | 0 | 111.4 | G1409 | T1407-G1409 PolarHBondContact O-N 3.5Š| ||
| 1408 | D | 30.5 | Very low | 31.6 | Very low | 151 Ų | 151 | 137.7 Ų | 137.7 | 81% | 0.807 | 77% | 0.765 | S | S | * | * | trans | -73.2 | 109.7 | 172.1 | -79.9 | -32.4 | 0 | 0 | 0 | 110.2 | C1406 V1410 | C1406-D1408 PolarHBondContact O-N 2.79Å; D1408-V1410 VanDerWaalsContact C-N 3.33Å; D1408-V1410 PolarHBondContact O-N 2.83Å | ||
| 1409 | G | 31.8 | Very low | 32 | Very low | 73 Ų | 73 | 136.4 Ų | 136.4 | 75% | 0.753 | 76% | 0.758 | S | S | * | * | trans | -67.1 | 91.4 | 165.7 | 0 | 0 | 0 | 0 | 0 | 110 | T1407 S1411 | T1407-G1409 PolarHBondContact O-N 3.5Å; G1409-S1411 PolarHBondContact O-N 3.05Å; G1409-S1411 VanDerWaalsContact O-N 3.08Å | ||
| 1410 | V | 28.4 | Very low | 32.7 | Very low | 124 Ų | 124 | 135.5 Ų | 135.5 | 75% | 0.752 | 74% | 0.743 | S | S | * | * | trans | -58.3 | 108 | 171.4 | -179.6 | 0 | 0 | 0 | 0 | 109 | D1408 | D1408-V1410 VanDerWaalsContact C-N 3.33Å; D1408-V1410 PolarHBondContact O-N 2.83Å | ||
| 1411 | S | 27.4 | Very low | 33.5 | Very low | 112 Ų | 112 | 131.9 Ų | 131.9 | 78% | 0.783 | 73% | 0.726 | S | S | * | * | trans | -107 | 98 | 166.7 | 46.1 | 0 | 0 | 0 | 0 | 108.8 | G1409 L1413 | G1409-S1411 PolarHBondContact O-N 3.05Å; G1409-S1411 VanDerWaalsContact O-N 3.08Å; S1411-L1413 PolarHBondContact O-N 3.02Å; S1411-L1413 VanDerWaalsContact O-N 3.1Å | ||
| 1412 | N | 27.3 | Very low | 34.2 | Very low | 146 Ų | 146 | 130.8 Ų | 130.8 | 78% | 0.781 | 72% | 0.719 | S | S | * | * | trans | -62.2 | 103.3 | 162.3 | -85.9 | -26.2 | 0 | 0 | 0 | 108.6 | ||||
| 1413 | L | 28.7 | Very low | 35 | Very low | 175 Ų | 175 | 126.8 Ų | 126.8 | 92% | 0.916 | 70% | 0.697 | S | S | * | * | trans | -150.6 | 73.5 | 159 | -132.9 | 89.8 | 0 | 0 | 0 | 109.4 | S1411 | S1411-L1413 PolarHBondContact O-N 3.02Å; S1411-L1413 VanDerWaalsContact O-N 3.1Å | ||
| 1414 | Q | 30.7 | Very low | 35.9 | Very low | 164 Ų | 164 | 127.2 Ų | 127.2 | 77% | 0.766 | 69% | 0.692 | S | S | * | * | trans | -86.7 | 129 | 175.7 | -102.3 | -174.1 | -25.8 | 0 | 0 | 111.2 | ||||
| 1415 | Y | 32.2 | Very low | 37 | Very low | 174 Ų | 174 | 128.9 Ų | 128.9 | 68% | 0.682 | 69% | 0.69 | S | S | * | * | S | Bend | trans | 56.6 | 71.6 | 148.2 | -65 | -77.2 | 0 | 0 | 0 | 119.6 | ||
| 1416 | H | 33.3 | Very low | 38.4 | Very low | 156 Ų | 156 | 126 Ų | 126 | 72% | 0.722 | 68% | 0.675 | S | S | * | * | trans | -124.5 | -2.3 | 155 | -97.5 | -62.8 | 0 | 0 | 0 | 115.4 | ||||
| 1417 | S | 39 | Very low | 39.4 | Very low | 83 Ų | 83 | 126 Ų | 126 | 58% | 0.58 | 67% | 0.668 | S | S | * | * | H | α-helix | trans | -85.1 | -23.5 | -174.4 | 57.3 | 0 | 0 | 0 | 0 | 115.4 | I1421 | S1417-I1421 WeakPolarHBondContact O-CG1 3.3Å |
| 1418 | Q | 40.2 | Very low | 40.4 | Very low | 145 Ų | 145 | 123.4 Ų | 123.4 | 68% | 0.678 | 65% | 0.652 | S | S | * | * | H | α-helix | trans | -79 | -28.7 | -179.4 | -75.7 | -171.7 | -13.8 | 0 | 0 | 113.7 | F1422 | Q1418-F1422 PolarHBondContact O-N 3.28Å |
| 1419 | L | 40.3 | Very low | 41.4 | Very low | 125 Ų | 125 | 119.8 Ų | 119.8 | 65% | 0.654 | 64% | 0.635 | S | S | * | * | H | α-helix | trans | -73.1 | -33.6 | 177.9 | -136.5 | 93.9 | 0 | 0 | 0 | 112.2 | F1422 L1423 | L1419-F1422 PolarHBondContact O-N 3.18Å; L1419-L1423 HydrophobicContact CD2-CD1 4.27Å; L1419-L1423 WeakPolarHBondContact O-CB 3.33Å; L1419-L1423 PolarHBondContact O-N 2.91Å |
| 1420 | I | 47.7 | Very low | 42 | Very low | 99 Ų | 99 | 122.8 Ų | 122.8 | 51% | 0.508 | 63% | 0.631 | S | S | . | * | H | α-helix | trans | -70.3 | -37.6 | -179 | -65.8 | 173.4 | 0 | 0 | 0 | 111 | L1423 L1424 | I1420-L1423 PolarHBondContact O-N 3.49Å; I1420-L1424 HydrophobicContact CG2-CD1 3.86Å; I1420-L1424 WeakPolarHBondContact O-CB 3.28Å; I1420-L1424 PolarHBondContact O-N 3.44Å |
| 1421 | I | 48.4 | Very low | 43 | Very low | 114 Ų | 114 | 123.7 Ų | 123.7 | 59% | 0.585 | 63% | 0.627 | S | S | * | * | H | α-helix | trans | -68.4 | -37.8 | 177.6 | -63.8 | 170.8 | 0 | 0 | 0 | 110.6 | S1417 L1424 F1425 | S1417-I1421 WeakPolarHBondContact O-CG1 3.3Å; I1421-L1424 PolarHBondContact O-N 2.83Å; I1421-F1425 PolarHBondContact O-N 2.77Å |
| 1422 | F | 46.5 | Very low | 43.8 | Very low | 155 Ų | 155 | 125.3 Ų | 125.3 | 68% | 0.68 | 63% | 0.626 | S | S | * | * | H | α-helix | trans | -69.7 | -39.6 | 177.1 | -136 | -87.7 | 0 | 0 | 0 | 112.3 | Q1418 L1419 F1425 I1426 | Q1418-F1422 PolarHBondContact O-N 3.28Å; L1419-F1422 PolarHBondContact O-N 3.18Å; F1422-F1425 PolarHBondContact O-N 2.74Å; F1422-I1426 HydrophobicContact CD1-CD1 4.08Å; F1422-I1426 HydrophobicContact CE1-CD1 4.48Å; F1422-I1426 WeakPolarHBondContact O-CG1 3.4Å; F1422-I1426 PolarHBondContact O-N 3.16Å; F1422-I1426 VanDerWaalsContact O-N 3.14Å |
| 1423 | L | 48.1 | Very low | 44.3 | Very low | 94 Ų | 94 | 127 Ų | 127 | 49% | 0.492 | 63% | 0.629 | S | S | . | * | H | α-helix | trans | -66.9 | -38.9 | 174.7 | -89.4 | 155.2 | 0 | 0 | 0 | 112.4 | L1419 I1420 F1425 I1426 I1427 | L1419-L1423 HydrophobicContact CD2-CD1 4.27Å; L1419-L1423 WeakPolarHBondContact O-CB 3.33Å; L1419-L1423 PolarHBondContact O-N 2.91Å; I1420-L1423 PolarHBondContact O-N 3.49Å; L1423-F1425 VanDerWaalsContact C-N 3.31Å; L1423-F1425 PolarHBondContact O-N 3.2Å; L1423-I1426 PolarHBondContact O-N 3.4Å; L1423-I1427 VanDerWaalsContact O-CG1 3.27Å; L1423-I1427 WeakPolarHBondContact O-CG1 3.35Å; L1423-I1427 PolarHBondContact O-N 3.18Å |
| 1424 | L | 50.2 | Low | 44.6 | Very low | 99 Ų | 99 | 132 Ų | 132 | 52% | 0.518 | 64% | 0.636 | S | S | . | * | H | α-helix | trans | -63.8 | -37 | 173.8 | -86.4 | 157.7 | 0 | 0 | 0 | 112 | I1420 I1421 I1426 I1427 V1428 | I1420-L1424 HydrophobicContact CG2-CD1 3.86Å; I1420-L1424 WeakPolarHBondContact O-CB 3.28Å; I1420-L1424 PolarHBondContact O-N 3.44Å; I1421-L1424 PolarHBondContact O-N 2.83Å; L1424-I1426 PolarHBondContact O-N 3.43Å; L1424-I1427 PolarHBondContact O-N 2.71Å; L1424-V1428 WeakPolarHBondContact O-CB 3.25Å; L1424-V1428 VanDerWaalsContact O-CG2 3.23Å; L1424-V1428 WeakPolarHBondContact O-CG2 3.11Å; L1424-V1428 PolarHBondContact O-N 3.18Å |
| 1425 | F | 51.3 | Low | 45.3 | Very low | 150 Ų | 150 | 130.4 Ų | 130.4 | 66% | 0.658 | 63% | 0.629 | S | S | * | * | H | α-helix | trans | -67 | -36.8 | 176.7 | -134.3 | -88.7 | 0 | 0 | 0 | 112.4 | I1421 F1422 L1423 T1429 | I1421-F1425 PolarHBondContact O-N 2.77Å; F1422-F1425 PolarHBondContact O-N 2.74Å; L1423-F1425 VanDerWaalsContact C-N 3.31Å; L1423-F1425 PolarHBondContact O-N 3.2Å; F1425-T1429 HydrophobicContact CD1-CG2 4.43Å; F1425-T1429 WeakPolarHBondContact O-CB 3.3Å; F1425-T1429 WeakPolarHBondContact O-CG2 3.49Å; F1425-T1429 PolarHBondContact O-N 3.33Å; F1425-T1429 VanDerWaalsContact O-N 3.09Å; F1425-T1429 PolarHBondContact O-OG1 3.28Å |
| 1426 | I | 58.2 | Low | 46 | Very low | 83 Ų | 83 | 128.1 Ų | 128.1 | 43% | 0.426 | 63% | 0.626 | S | S | . | * | H | α-helix | trans | -71 | -39.3 | 175.9 | -65.2 | 170.7 | 0 | 0 | 0 | 110.9 | F1422 L1423 L1424 T1429 M1430 | F1422-I1426 HydrophobicContact CD1-CD1 4.08Å; F1422-I1426 HydrophobicContact CE1-CD1 4.48Å; F1422-I1426 WeakPolarHBondContact O-CG1 3.4Å; F1422-I1426 PolarHBondContact O-N 3.16Å; F1422-I1426 VanDerWaalsContact O-N 3.14Å; L1423-I1426 PolarHBondContact O-N 3.4Å; L1424-I1426 PolarHBondContact O-N 3.43Å; I1426-T1429 WeakPolarHBondContact CA-OG1 3.48Å; I1426-T1429 PolarHBondContact O-N 3.08Å; I1426-T1429 PolarHBondContact O-OG1 3.3Å; I1426-T1429 VanDerWaalsContact O-OG1 3.07Å; I1426-M1430 WeakPolarHBondContact O-CB 3.27Å; I1426-M1430 WeakPolarHBondContact O-CG 3.34Å; I1426-M1430 PolarHBondContact O-N 3.25Å |
| 1427 | I | 54.9 | Low | 46.7 | Very low | 91 Ų | 91 | 126.5 Ų | 126.5 | 47% | 0.467 | 62% | 0.621 | S | S | . | * | H | α-helix | trans | -68.2 | -41.5 | 178.8 | -67.4 | 166.8 | 0 | 0 | 0 | 111.1 | L1423 L1424 M1430 Q1431 | L1423-I1427 VanDerWaalsContact O-CG1 3.27Å; L1423-I1427 WeakPolarHBondContact O-CG1 3.35Å; L1423-I1427 PolarHBondContact O-N 3.18Å; L1424-I1427 PolarHBondContact O-N 2.71Å; I1427-M1430 PolarHBondContact O-N 2.88Å; I1427-Q1431 PolarHBondContact O-N 2.76Å |
| 1428 | V | 53.9 | Low | 47.1 | Very low | 79 Ų | 79 | 129.1 Ų | 129.1 | 48% | 0.479 | 62% | 0.623 | S | S | . | * | H | α-helix | trans | -67.1 | -37.7 | 178.1 | 173.5 | 0 | 0 | 0 | 0 | 111.3 | L1424 Q1431 L1432 | L1424-V1428 WeakPolarHBondContact O-CB 3.25Å; L1424-V1428 VanDerWaalsContact O-CG2 3.23Å; L1424-V1428 WeakPolarHBondContact O-CG2 3.11Å; L1424-V1428 PolarHBondContact O-N 3.18Å; V1428-Q1431 PolarHBondContact O-N 2.97Å; V1428-L1432 HydrophobicContact CG1-CD1 4.18Å; V1428-L1432 PolarHBondContact O-N 3.47Å; V1428-L1432 VanDerWaalsContact O-N 3.13Å |
| 1429 | T | 50 | Low | 47.5 | Very low | 74 Ų | 74 | 128.1 Ų | 128.1 | 45% | 0.454 | 62% | 0.62 | S | S | . | * | H | α-helix | trans | -71.9 | -33.8 | 176.1 | 47.4 | 0 | 0 | 0 | 0 | 112.8 | F1425 I1426 H1433 | F1425-T1429 HydrophobicContact CD1-CG2 4.43Å; F1425-T1429 WeakPolarHBondContact O-CB 3.3Å; F1425-T1429 WeakPolarHBondContact O-CG2 3.49Å; F1425-T1429 PolarHBondContact O-N 3.33Å; F1425-T1429 VanDerWaalsContact O-N 3.09Å; F1425-T1429 PolarHBondContact O-OG1 3.28Å; I1426-T1429 WeakPolarHBondContact CA-OG1 3.48Å; I1426-T1429 PolarHBondContact O-N 3.08Å; I1426-T1429 PolarHBondContact O-OG1 3.3Å; I1426-T1429 VanDerWaalsContact O-OG1 3.07Å; T1429-H1433 PolarHBondContact O-N 3.4Å |
| 1430 | M | 46.1 | Very low | 48 | Very low | 137 Ų | 137 | 128.3 Ų | 128.3 | 68% | 0.675 | 62% | 0.618 | S | S | * | * | H | α-helix | trans | -74 | -28.5 | 173.7 | -71.6 | -153.4 | 83.8 | 0 | 0 | 113.6 | I1426 I1427 H1433 R1434 | I1426-M1430 WeakPolarHBondContact O-CB 3.27Å; I1426-M1430 WeakPolarHBondContact O-CG 3.34Å; I1426-M1430 PolarHBondContact O-N 3.25Å; I1427-M1430 PolarHBondContact O-N 2.88Å; M1430-H1433 PolarHBondContact O-N 2.66Å; M1430-R1434 PolarHBondContact O-N 2.99Å |
| 1431 | Q | 48.3 | Very low | 48.1 | Very low | 142 Ų | 142 | 130.4 Ų | 130.4 | 66% | 0.664 | 63% | 0.625 | S | S | * | * | H | α-helix | trans | -78.3 | -20.7 | 173.4 | -84.4 | -171.3 | -40.3 | 0 | 0 | 113.9 | I1427 V1428 H1433 R1434 | I1427-Q1431 PolarHBondContact O-N 2.76Å; V1428-Q1431 PolarHBondContact O-N 2.97Å; Q1431-H1433 VanDerWaalsContact C-N 3.35Å; Q1431-R1434 VanDerWaalsContact O-OXT 3.1Å |
| 1432 | L | 44.8 | Very low | 48 | Very low | 147 Ų | 147 | 131.6 Ų | 131.6 | 77% | 0.77 | 63% | 0.629 | S | S | * | * | H | α-helix | trans | -80.3 | -19.5 | 170.4 | -94.9 | 147.9 | 0 | 0 | 0 | 112.8 | V1428 | V1428-L1432 HydrophobicContact CG1-CD1 4.18Å; V1428-L1432 PolarHBondContact O-N 3.47Å; V1428-L1432 VanDerWaalsContact O-N 3.13Å |
| 1433 | H | 38.3 | Very low | 48.2 | Very low | 180 Ų | 180 | 129.7 Ų | 129.7 | 83% | 0.833 | 62% | 0.624 | S | S | * | * | trans | -94.6 | -2.9 | 178.6 | -133.2 | -32.5 | 0 | 0 | 0 | 114.2 | T1429 M1430 Q1431 | T1429-H1433 PolarHBondContact O-N 3.4Å; M1430-H1433 PolarHBondContact O-N 2.66Å; Q1431-H1433 VanDerWaalsContact C-N 3.35Å | ||
| 1434 | R | 33.8 | Very low | 48.2 | Very low | 280 Ų | 280 | 132.9 Ų | 132.9 | 100% | 1.057 | 64% | 0.636 | S | S | * | * | trans | -116.2 | 0 | 177.1 | -148.7 | -173.2 | -160 | -172.1 | 5.3 | 109.5 | M1430 Q1431 | M1430-R1434 PolarHBondContact O-N 2.99Å; Q1431-R1434 VanDerWaalsContact O-OXT 3.1Å |
Retrieved 1,434 of 1,434 residues in 2415 ms
(Link to these results)