| 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 | 53.3 | Low | 55.6 | Low | 197 Ų | 197 | 115.1 Ų | 115.1 | 97% | 0.97 | 63% | 0.633 | S | S | * | * | 0 | -48 | 0 | -83.2 | 178.3 | 71.3 | 0 | 0 | 113.1 | T4 C5 | M1-T4 VanDerWaalsContact CA-OG1 3.26Å; M1-T4 WeakPolarHBondContact CA-OG1 3.46Å; M1-T4 PolarHBondContact O-N 2.99Å; M1-T4 PolarHBondContact O-OG1 2.89Å; M1-C5 PolarHBondContact O-N 3.48Å; M1-C5 VanDerWaalsContact O-N 3.13Å | |||
| 2 | I | 56.8 | Low | 54.9 | Low | 141 Ų | 141 | 111.5 Ų | 111.5 | 72% | 0.723 | 62% | 0.62 | S | S | * | * | H | α-helix | trans | -66.9 | -40.8 | 178.9 | -62.9 | 169.9 | 0 | 0 | 0 | 111.9 | T4 C5 L6 | I2-T4 PolarHBondContact O-N 2.81Å; I2-C5 PolarHBondContact O-N 2.87Å; I2-L6 HydrophobicContact CG2-CD1 4.44Å; I2-L6 PolarHBondContact O-N 3.4Å; I2-L6 VanDerWaalsContact O-N 3.09Å |
| 3 | L | 51.8 | Low | 54 | Low | 140 Ų | 140 | 107.9 Ų | 107.9 | 73% | 0.733 | 61% | 0.608 | S | S | * | * | H | α-helix | trans | -67.6 | -35.6 | 178.9 | -158.7 | 75 | 0 | 0 | 0 | 112.8 | L6 V7 | L3-L6 PolarHBondContact O-N 3.2Å; L3-V7 WeakPolarHBondContact O-CG2 3.01Å; L3-V7 PolarHBondContact O-N 3.27Å |
| 4 | T | 54.9 | Low | 53.3 | Low | 92 Ų | 92 | 107.7 Ų | 107.7 | 56% | 0.564 | 61% | 0.61 | S | S | * | * | H | α-helix | trans | -71.4 | -36.7 | 176.2 | 31.9 | 0 | 0 | 0 | 0 | 112.1 | M1 I2 V8 | M1-T4 VanDerWaalsContact CA-OG1 3.26Å; M1-T4 WeakPolarHBondContact CA-OG1 3.46Å; M1-T4 PolarHBondContact O-N 2.99Å; M1-T4 PolarHBondContact O-OG1 2.89Å; I2-T4 PolarHBondContact O-N 2.81Å; T4-V8 WeakPolarHBondContact O-CG2 3.33Å; T4-V8 PolarHBondContact O-N 3.39Å; T4-V8 VanDerWaalsContact O-N 3.16Å |
| 5 | C | 54.3 | Low | 52.3 | Low | 86 Ų | 86 | 108.1 Ų | 108.1 | 58% | 0.581 | 62% | 0.615 | S | S | * | * | H | α-helix | trans | -64.4 | -39.6 | 171.4 | -85.4 | 0 | 0 | 0 | 0 | 112.6 | M1 I2 V8 V9 | M1-C5 PolarHBondContact O-N 3.48Å; M1-C5 VanDerWaalsContact O-N 3.13Å; I2-C5 PolarHBondContact O-N 2.87Å; C5-V8 PolarHBondContact O-N 3.31Å; C5-V9 VanDerWaalsContact O-CG2 3.3Å; C5-V9 WeakPolarHBondContact O-CG2 3.31Å; C5-V9 PolarHBondContact O-N 2.96Å |
| 6 | L | 57.2 | Low | 51.3 | Low | 98 Ų | 98 | 115.2 Ų | 115.2 | 51% | 0.513 | 63% | 0.629 | S | S | . | * | H | α-helix | trans | -64.6 | -40.9 | 178.9 | -112.5 | 143.5 | 0 | 0 | 0 | 112.3 | I2 L3 V9 L10 | I2-L6 HydrophobicContact CG2-CD1 4.44Å; I2-L6 PolarHBondContact O-N 3.4Å; I2-L6 VanDerWaalsContact O-N 3.09Å; L3-L6 PolarHBondContact O-N 3.2Å; L6-V9 PolarHBondContact O-N 2.86Å; L6-L10 HydrophobicContact CD2-CD1 4.13Å; L6-L10 WeakPolarHBondContact O-CB 3.28Å; L6-L10 WeakPolarHBondContact O-CD1 3.43Å; L6-L10 PolarHBondContact O-N 3.46Å |
| 7 | V | 61 | Low | 50.5 | Low | 86 Ų | 86 | 113.6 Ų | 113.6 | 52% | 0.521 | 63% | 0.628 | S | S | . | * | H | α-helix | trans | -65.8 | -39.3 | 175.6 | 173.6 | 0 | 0 | 0 | 0 | 111.5 | L3 L10 M11 | L3-V7 WeakPolarHBondContact O-CG2 3.01Å; L3-V7 PolarHBondContact O-N 3.27Å; V7-L10 PolarHBondContact O-N 2.91Å; V7-M11 HydrophobicContact CG1-CG 4.37Å; V7-M11 WeakPolarHBondContact O-CB 3.48Å; V7-M11 WeakPolarHBondContact O-CG 3.28Å; V7-M11 PolarHBondContact O-N 3.44Å |
| 8 | V | 59.5 | Low | 49.9 | Very low | 93 Ų | 93 | 118.3 Ų | 118.3 | 56% | 0.564 | 64% | 0.642 | S | S | * | * | H | α-helix | trans | -67.4 | -40.7 | 177.1 | 173.3 | 0 | 0 | 0 | 0 | 111.6 | T4 C5 M11 C12 | T4-V8 WeakPolarHBondContact O-CG2 3.33Å; T4-V8 PolarHBondContact O-N 3.39Å; T4-V8 VanDerWaalsContact O-N 3.16Å; C5-V8 PolarHBondContact O-N 3.31Å; V8-M11 PolarHBondContact O-N 3.47Å; V8-C12 PolarHBondContact O-N 2.95Å |
| 9 | V | 57.8 | Low | 49 | Very low | 102 Ų | 102 | 120.8 Ų | 120.8 | 62% | 0.618 | 65% | 0.648 | S | S | * | * | H | α-helix | trans | -67.1 | -40 | 176.9 | 173.4 | 0 | 0 | 0 | 0 | 111.6 | C5 L6 C12 S13 | C5-V9 VanDerWaalsContact O-CG2 3.3Å; C5-V9 WeakPolarHBondContact O-CG2 3.31Å; C5-V9 PolarHBondContact O-N 2.96Å; L6-V9 PolarHBondContact O-N 2.86Å; V9-C12 PolarHBondContact O-N 2.86Å; V9-S13 PolarHBondContact O-N 3.42Å; V9-S13 VanDerWaalsContact O-N 3.12Å |
| 10 | L | 54.4 | Low | 48.2 | Very low | 103 Ų | 103 | 118.3 Ų | 118.3 | 54% | 0.539 | 65% | 0.645 | S | S | . | * | H | α-helix | trans | -64 | -42 | 173.8 | -92.7 | 145.9 | 0 | 0 | 0 | 111.8 | L6 V7 S13 V14 | L6-L10 HydrophobicContact CD2-CD1 4.13Å; L6-L10 WeakPolarHBondContact O-CB 3.28Å; L6-L10 WeakPolarHBondContact O-CD1 3.43Å; L6-L10 PolarHBondContact O-N 3.46Å; V7-L10 PolarHBondContact O-N 2.91Å; L10-S13 PolarHBondContact O-N 3.13Å; L10-S13 PolarHBondContact O-OG 2.04Å; L10-V14 WeakPolarHBondContact O-CG2 3.41Å; L10-V14 PolarHBondContact O-N 3.32Å |
| 11 | M | 50.8 | Low | 47.7 | Very low | 128 Ų | 128 | 118.3 Ų | 118.3 | 63% | 0.631 | 65% | 0.651 | S | S | * | * | H | α-helix | trans | -67.4 | -34.9 | 176.3 | -67.7 | -68.2 | -87.2 | 0 | 0 | 112.3 | V7 V8 V14 V15 | V7-M11 HydrophobicContact CG1-CG 4.37Å; V7-M11 WeakPolarHBondContact O-CB 3.48Å; V7-M11 WeakPolarHBondContact O-CG 3.28Å; V7-M11 PolarHBondContact O-N 3.44Å; V8-M11 PolarHBondContact O-N 3.47Å; M11-V14 PolarHBondContact O-N 3.42Å; M11-V15 WeakPolarHBondContact O-CG2 3.49Å; M11-V15 PolarHBondContact O-N 3.36Å |
| 12 | C | 46.6 | Very low | 47.1 | Very low | 72 Ų | 72 | 117.8 Ų | 117.8 | 49% | 0.486 | 65% | 0.647 | S | S | . | * | H | α-helix | trans | -64.9 | -36.6 | 173.3 | -80.6 | 0 | 0 | 0 | 0 | 112.9 | V8 V9 V14 V15 W16 | V8-C12 PolarHBondContact O-N 2.95Å; V9-C12 PolarHBondContact O-N 2.86Å; C12-V14 VanDerWaalsContact C-N 3.33Å; C12-V14 PolarHBondContact O-N 3.42Å; C12-V15 PolarHBondContact O-N 3.09Å; C12-W16 PolarHBondContact O-N 2.84Å |
| 13 | S | 44.2 | Very low | 46.5 | Very low | 65 Ų | 65 | 120 Ų | 120 | 46% | 0.455 | 65% | 0.654 | S | S | . | * | H | α-helix | trans | -68.9 | -29.5 | 178.7 | 69.6 | 0 | 0 | 0 | 0 | 113.7 | V9 L10 W16 S17 | V9-S13 PolarHBondContact O-N 3.42Å; V9-S13 VanDerWaalsContact O-N 3.12Å; L10-S13 PolarHBondContact O-N 3.13Å; L10-S13 PolarHBondContact O-OG 2.04Å; S13-W16 PolarHBondContact O-N 3Å; S13-S17 PolarHBondContact O-OG 3.18Å |
| 14 | V | 43.3 | Very low | 46.3 | Very low | 105 Ų | 105 | 122.8 Ų | 122.8 | 64% | 0.636 | 66% | 0.66 | S | S | * | * | H | α-helix | trans | -74.8 | -29.8 | 175.7 | 177.9 | 0 | 0 | 0 | 0 | 111.6 | L10 M11 C12 W16 | L10-V14 WeakPolarHBondContact O-CG2 3.41Å; L10-V14 PolarHBondContact O-N 3.32Å; M11-V14 PolarHBondContact O-N 3.42Å; C12-V14 VanDerWaalsContact C-N 3.33Å; C12-V14 PolarHBondContact O-N 3.42Å; V14-W16 VanDerWaalsContact C-N 3.31Å |
| 15 | V | 38.6 | Very low | 46 | Very low | 113 Ų | 113 | 127.1 Ų | 127.1 | 69% | 0.685 | 67% | 0.671 | S | S | * | * | H | α-helix | trans | -75.2 | -23 | 175.9 | -178.6 | 0 | 0 | 0 | 0 | 111.8 | M11 C12 | M11-V15 WeakPolarHBondContact O-CG2 3.49Å; M11-V15 PolarHBondContact O-N 3.36Å; C12-V15 PolarHBondContact O-N 3.09Å |
| 16 | W | 36.6 | Very low | 46.1 | Very low | 222 Ų | 222 | 127.4 Ų | 127.4 | 84% | 0.841 | 67% | 0.667 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -91.8 | 4.2 | -176.4 | -85.5 | 50.3 | 0 | 0 | 0 | 115.5 | C12 S13 V14 | C12-W16 PolarHBondContact O-N 2.84Å; S13-W16 PolarHBondContact O-N 3Å; V14-W16 VanDerWaalsContact C-N 3.31Å |
| 17 | S | 37.2 | Very low | 46 | Very low | 88 Ų | 88 | 127.5 Ų | 127.5 | 62% | 0.615 | 67% | 0.671 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -114.7 | 19.2 | -177.8 | 32 | 0 | 0 | 0 | 0 | 114.5 | S13 E19 | S13-S17 PolarHBondContact O-OG 3.18Å; S17-E19 PolarHBondContact O-N 2.98Å; S17-E19 VanDerWaalsContact O-N 3.15Å |
| 18 | F | 39.8 | Very low | 45.9 | Very low | 199 Ų | 199 | 124.6 Ų | 124.6 | 87% | 0.873 | 65% | 0.652 | S | S | * | * | trans | -84.1 | 65.4 | 157.3 | -125 | -87.1 | 0 | 0 | 0 | 109.5 | A20 | F18-A20 PolarHBondContact O-N 3.2Å; F18-A20 VanDerWaalsContact O-N 3.11Å | ||
| 19 | E | 32.8 | Very low | 45.7 | Very low | 165 Ų | 165 | 123.9 Ų | 123.9 | 77% | 0.771 | 65% | 0.651 | S | S | * | * | trans | -65.4 | 108.1 | 162.9 | -158.3 | 76.8 | -140.9 | 0 | 0 | 105.8 | S17 | S17-E19 PolarHBondContact O-N 2.98Å; S17-E19 VanDerWaalsContact O-N 3.15Å | ||
| 20 | A | 33.3 | Very low | 45.8 | Very low | 71 Ų | 71 | 123.7 Ų | 123.7 | 59% | 0.587 | 65% | 0.654 | S | S | * | * | trans | -54.3 | 134.7 | 166.6 | 0 | 0 | 0 | 0 | 0 | 107 | F18 E22 | F18-A20 PolarHBondContact O-N 3.2Å; F18-A20 VanDerWaalsContact O-N 3.11Å; A20-E22 PolarHBondContact O-N 2.92Å; A20-E22 VanDerWaalsContact O-N 3.13Å | ||
| 21 | P | 37.9 | Very low | 46.3 | Very low | 119 Ų | 119 | 122.3 Ų | 122.3 | 77% | 0.773 | 65% | 0.65 | S | S | * | * | trans | -52.8 | 128.1 | 178.8 | 20.7 | -30.2 | 0 | 0 | 0 | 108.5 | E23 | P21-E23 PolarHBondContact O-N 3.45Š| ||
| 22 | E | 39.4 | Very low | 47.3 | Very low | 186 Ų | 186 | 120.7 Ų | 120.7 | 87% | 0.869 | 66% | 0.657 | S | S | * | * | trans | -35.8 | 125.4 | -179.3 | -78.3 | -177.3 | 158.9 | 0 | 0 | 110.2 | A20 K24 | A20-E22 PolarHBondContact O-N 2.92Å; A20-E22 VanDerWaalsContact O-N 3.13Å; E22-K24 PolarHBondContact O-N 3.45Å | ||
| 23 | E | 44.8 | Very low | 48.8 | Very low | 188 Ų | 188 | 119.4 Ų | 119.4 | 88% | 0.879 | 65% | 0.648 | S | S | * | * | trans | -42.1 | 106.6 | -176.6 | -73.2 | 178.8 | 153.6 | 0 | 0 | 110.1 | P21 K25 | P21-E23 PolarHBondContact O-N 3.45Å; E23-K25 PolarHBondContact O-N 2.03Å | ||
| 24 | K | 48.4 | Very low | 50.3 | Low | 198 Ų | 198 | 118.8 Ų | 118.8 | 86% | 0.861 | 64% | 0.643 | S | S | * | * | trans | -51.1 | 116.2 | 157.4 | -92.2 | -179.8 | 174 | 176.8 | 0 | 105.2 | E22 D26 | E22-K24 PolarHBondContact O-N 3.45Å; K24-D26 PolarHBondContact O-N 3.39Å | ||
| 25 | K | 48.7 | Very low | 51.8 | Low | 183 Ų | 183 | 118.4 Ų | 118.4 | 80% | 0.796 | 65% | 0.65 | S | S | * | * | trans | -19.1 | 121.6 | 171.3 | -74.4 | 179.9 | 174.4 | 179.7 | 0 | 110.4 | E23 V27 | E23-K25 PolarHBondContact O-N 2.03Å; K25-V27 PolarHBondContact O-N 2.84Å | ||
| 26 | D | 56.4 | Low | 53.7 | Low | 91 Ų | 91 | 121.4 Ų | 121.4 | 49% | 0.487 | 65% | 0.654 | S | S | . | * | trans | -41.6 | 115.6 | 179.5 | -175.8 | -3.8 | 0 | 0 | 0 | 109.1 | K24 F28 S29 | K24-D26 PolarHBondContact O-N 3.39Å; D26-F28 PolarHBondContact O-N 3.14Å; D26-F28 WeakPolarHBondContact OD1-CB 3.39Å; D26-F28 WeakPolarHBondContact OD1-CD2 3.17Å; D26-F28 PolarHBondContact OD1-N 2.97Å; D26-S29 WeakPolarHBondContact O-CB 3.46Å; D26-S29 PolarHBondContact O-N 2.84Å; D26-S29 PolarHBondContact O-OG 2.9Å | ||
| 27 | V | 55.3 | Low | 55.8 | Low | 100 Ų | 100 | 112.7 Ų | 112.7 | 61% | 0.606 | 62% | 0.624 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -57.4 | -22.2 | -175.8 | 176.1 | 0 | 0 | 0 | 0 | 110.4 | K25 S30 | K25-V27 PolarHBondContact O-N 2.84Å; V27-S30 PolarHBondContact O-OG 3.28Å |
| 28 | F | 58.3 | Low | 57.9 | Low | 26 Ų | 26 | 110.2 Ų | 110.2 | 11% | 0.114 | 61% | 0.605 | C | S | . | * | T | Hydrogen-bonded Turn | trans | -81.8 | -21.8 | 176.9 | -56.8 | -65.8 | 0 | 0 | 0 | 114 | D26 S30 T31 C54 K57 F110 | D26-F28 PolarHBondContact O-N 3.14Å; D26-F28 WeakPolarHBondContact OD1-CB 3.39Å; D26-F28 WeakPolarHBondContact OD1-CD2 3.17Å; D26-F28 PolarHBondContact OD1-N 2.97Å; F28-S30 VanDerWaalsContact C-N 3.27Å; F28-S30 PolarHBondContact O-N 2.76Å; F28-T31 PolarHBondContact O-N 3.29Å; F28-C54 WeakPolarHBondContact CE1-O 3.24Å; F28-K57 HydrophobicContact CD1-CB 4.13Å; F28-K57 HydrophobicContact CE1-CB 4.39Å; F28-K57 HydrophobicContact CG-CB 4.3Å; F28-F110 AromaticContact CE2-CD2 3.47Å; F28-F110 HydrophobicContact CE2-CD2 3.47Å; F28-F110 VanDerWaalsContact CE2-CD2 3.47Å; F28-F110 AromaticContact CE2-CE2 3.77Å; F28-F110 HydrophobicContact CE2-CE2 3.77Å; F28-F110 HydrophobicContact CE2-CG 4.21Å; F28-F110 HydrophobicContact CZ-CB 4.1Å; F28-F110 AromaticContact CZ-CD2 3.7Å; F28-F110 HydrophobicContact CZ-CD2 3.7Å; F28-F110 HydrophobicContact CZ-CE2 4.44Å; F28-F110 HydrophobicContact CZ-CG 4.09Å |
| 29 | S | 55 | Low | 60.1 | Low | 78 Ų | 78 | 100.8 Ų | 100.8 | 55% | 0.545 | 56% | 0.564 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -69.7 | -20.4 | -179.3 | 67.9 | 0 | 0 | 0 | 0 | 114.1 | D26 | D26-S29 WeakPolarHBondContact O-CB 3.46Å; D26-S29 PolarHBondContact O-N 2.84Å; D26-S29 PolarHBondContact O-OG 2.9Å |
| 30 | S | 60.3 | Low | 62.7 | Low | 97 Ų | 97 | 94.1 Ų | 94.1 | 68% | 0.678 | 53% | 0.534 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -89.4 | -13.1 | -177.5 | 66.8 | 0 | 0 | 0 | 0 | 114.4 | V27 F28 | V27-S30 PolarHBondContact O-OG 3.28Å; F28-S30 VanDerWaalsContact C-N 3.27Å; F28-S30 PolarHBondContact O-N 2.76Å |
| 31 | T | 65.6 | Low | 65.4 | Low | 75 Ų | 75 | 92.1 Ų | 92.1 | 46% | 0.46 | 51% | 0.514 | S | S | . | . | trans | -138.8 | 107.3 | -167.6 | -30.4 | 0 | 0 | 0 | 0 | 111.3 | F28 | F28-T31 PolarHBondContact O-N 3.29Š| ||
| 32 | A | 71.6 | Confident | 67.9 | Low | 94 Ų | 94 | 87.1 Ų | 87.1 | 78% | 0.777 | 48% | 0.483 | S | S | * | . | P | Polyproline II helix | trans | -64.8 | 142.2 | 174.6 | 0 | 0 | 0 | 0 | 0 | 111.3 | ||
| 33 | C | 77 | Confident | 70.3 | Confident | 45 Ų | 45 | 78.7 Ų | 78.7 | 30% | 0.304 | 45% | 0.445 | S | S | . | . | P | Polyproline II helix | trans | -66.1 | 146.4 | 173.5 | -76.5 | 0 | 0 | 0 | 0 | 111.9 | A35 C56 K57 | C33-A35 PolarHBondContact O-N 3.17Å; C33-C56 WeakPolarHBondContact CA-SG 3.09Å; C33-C56 HydrophobicContact CB-CB 3.94Å; C33-C56 WeakPolarHBondContact CB-SG 3.4Å; C33-C56 WeakPolarHBondContact SG-CB 3.05Å; C33-C56 CovalentContact SG-SG 2.04Å; C33-C56 PolarHBondContact SG-SG 2.97Å; C33-K57 PolarHBondContact SG-N 3.33Å |
| 34 | P | 76.6 | Confident | 72.5 | Confident | 52 Ų | 52 | 71.7 Ų | 71.7 | 34% | 0.338 | 41% | 0.411 | S | S | . | . | P | Polyproline II helix | trans | -56.1 | 139.5 | 170 | -22.8 | 33.9 | 0 | 0 | 0 | 111.3 | F36 | P34-F36 WeakPolarHBondContact CB-O 3.47Å; P34-F36 PolarHBondContact O-N 3.34Å |
| 35 | A | 73.9 | Confident | 74.5 | Confident | 97 Ų | 97 | 62.5 Ų | 62.5 | 80% | 0.802 | 37% | 0.372 | S | S | * | . | S | Bend | trans | -64.3 | -19.6 | 177.9 | 0 | 0 | 0 | 0 | 0 | 113.6 | C33 | C33-A35 PolarHBondContact O-N 3.17Š|
| 36 | F | 78.1 | Confident | 76.4 | Confident | 175 Ų | 175 | 54.4 Ų | 54.4 | 77% | 0.768 | 34% | 0.339 | S | S | * | . | S | Bend | trans | -130.4 | 145.9 | 175.5 | -59.3 | -79.1 | 0 | 0 | 0 | 109.1 | P34 T38 | P34-F36 WeakPolarHBondContact CB-O 3.47Å; P34-F36 PolarHBondContact O-N 3.34Å; F36-T38 PolarHBondContact O-N 3.38Å |
| 37 | L | 81.8 | Confident | 77.5 | Confident | 40 Ų | 40 | 50.7 Ų | 50.7 | 21% | 0.209 | 32% | 0.322 | C | S | . | . | trans | -62.3 | 105.8 | 176.9 | -175.4 | 64.6 | 0 | 0 | 0 | 110.4 | F39 I126 F134 | L37-F39 HydrophobicContact CD2-CE2 4.13Å; L37-F39 HydrophobicContact CD2-CZ 3.74Å; L37-F39 HydrophobicContact CG-CE2 4.11Å; L37-F39 HydrophobicContact CG-CZ 4.04Å; L37-I126 HydrophobicContact CD1-CG2 4.17Å; L37-I126 HydrophobicContact CD2-CD1 4.23Å; L37-I126 HydrophobicContact CD2-CG2 4.21Å; L37-F134 HydrophobicContact CD1-CB 4.02Å; L37-F134 HydrophobicContact CD2-CB 3.94Å; L37-F134 HydrophobicContact CD2-CD2 4.16Å; L37-F134 HydrophobicContact CD2-CG 4.33Å | ||
| 38 | T | 81.6 | Confident | 78.9 | Confident | 35 Ų | 35 | 46.7 Ų | 46.7 | 22% | 0.215 | 30% | 0.298 | C | S | . | . | trans | -104.3 | 145.4 | 174.3 | 54.1 | 0 | 0 | 0 | 0 | 110.4 | F36 G137 | F36-T38 PolarHBondContact O-N 3.38Å; T38-G137 PolarHBondContact O-N 3.44Å | ||
| 39 | F | 85.6 | Confident | 80.1 | Confident | 1 Ų | 1 | 46.6 Ų | 46.6 | 0% | 0.004 | 30% | 0.3 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.1 | 124 | 178.6 | -68 | -86.9 | 0 | 0 | 0 | 110.6 | L37 W72 L124 I126 G137 D139 R205 Y206 | L37-F39 HydrophobicContact CD2-CE2 4.13Å; L37-F39 HydrophobicContact CD2-CZ 3.74Å; L37-F39 HydrophobicContact CG-CE2 4.11Å; L37-F39 HydrophobicContact CG-CZ 4.04Å; F39-W72 HydrophobicContact CE2-CE3 4.04Å; F39-W72 HydrophobicContact CE2-CH2 4.47Å; F39-W72 AromaticContact CE2-CZ3 3.59Å; F39-W72 HydrophobicContact CE2-CZ3 3.59Å; F39-W72 HydrophobicContact CZ-CE3 4.13Å; F39-W72 AromaticContact CZ-CZ3 3.66Å; F39-W72 HydrophobicContact CZ-CZ3 3.66Å; F39-L124 HydrophobicContact CD1-CB 4.45Å; F39-L124 HydrophobicContact CD1-CD2 3.99Å; F39-L124 HydrophobicContact CE1-CB 3.97Å; F39-L124 HydrophobicContact CE1-CD1 4.21Å; F39-L124 HydrophobicContact CE1-CD2 4.2Å; F39-L124 HydrophobicContact CE1-CG 4.37Å; F39-L124 HydrophobicContact CG-CD2 4.48Å; F39-L124 HydrophobicContact CZ-CD1 4.26Å; F39-I126 HydrophobicContact CE1-CD1 4.11Å; F39-I126 HydrophobicContact CE1-CG1 3.71Å; F39-I126 HydrophobicContact CZ-CD1 4.07Å; F39-I126 HydrophobicContact CZ-CG1 4.12Å; F39-G137 WeakPolarHBondContact CA-O 3.22Å; F39-D139 HydrophobicContact CB-CB 4.16Å; F39-R205 PolarHBondContact N-O 3.12Å; F39-Y206 HydrophobicContact CB-CD1 3.51Å; F39-Y206 HydrophobicContact CB-CE1 3.77Å; F39-Y206 HydrophobicContact CB-CG 4.43Å; F39-Y206 HydrophobicContact CD2-CE1 4.21Å; F39-Y206 HydrophobicContact CG-CD1 4.23Å; F39-Y206 AromaticContact CG-CE1 3.99Å; F39-Y206 HydrophobicContact CG-CE1 3.99Å |
| 40 | T | 87.6 | Confident | 81.6 | Confident | 25 Ų | 25 | 42.9 Ų | 42.9 | 15% | 0.153 | 27% | 0.274 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.2 | 124.7 | 171.2 | -57.9 | 0 | 0 | 0 | 0 | 109.2 | A42 Y136 G137 Y138 D139 L208 | T40-A42 PolarHBondContact O-N 2.75Å; T40-Y136 PolarHBondContact OG1-OH 3.49Å; T40-G137 PolarHBondContact N-O 3.09Å; T40-Y138 HydrophobicContact CG2-CD1 4.45Å; T40-Y138 HydrophobicContact CG2-CE1 4.39Å; T40-Y138 WeakPolarHBondContact O-CA 3.11Å; T40-D139 PolarHBondContact O-N 3.16Å; T40-L208 HydrophobicContact CG2-CD1 4.16Å |
| 41 | N | 88.6 | Confident | 83 | Confident | 30 Ų | 30 | 43.2 Ų | 43.2 | 16% | 0.16 | 26% | 0.264 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -69.8 | 124.1 | 174.7 | -176 | -105.4 | 0 | 0 | 0 | 110.3 | D139 S215 S218 | N41-D139 PolarHBondContact ND2-OD2 2.7Å; N41-S215 PolarHBondContact ND2-N 3.44Å; N41-S215 WeakPolarHBondContact OD1-CB 3.4Å; N41-S215 PolarHBondContact OD1-N 3.32Å; N41-S218 WeakPolarHBondContact ND2-CB 3.13Å |
| 42 | A | 90.8 | Very high | 84.2 | Confident | 14 Ų | 14 | 39.7 Ų | 39.7 | 12% | 0.116 | 24% | 0.243 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128 | 125.2 | 177.8 | 0 | 0 | 0 | 0 | 0 | 109.3 | T40 F44 Y138 D139 L140 D141 | T40-A42 PolarHBondContact O-N 2.75Å; A42-F44 HydrophobicContact CB-CE2 4.07Å; A42-Y138 HydrophobicContact CB-CD1 4.03Å; A42-D139 PolarHBondContact N-O 2.81Å; A42-L140 HydrophobicContact CB-CD1 4.2Å; A42-L140 WeakPolarHBondContact O-CA 3.47Å; A42-D141 PolarHBondContact O-N 3.16Å |
| 43 | A | 91 | Very high | 85.1 | Confident | 8 Ų | 8 | 37.1 Ų | 37.1 | 7% | 0.066 | 22% | 0.218 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.9 | 132 | -175.2 | 0 | 0 | 0 | 0 | 0 | 111.3 | D141 L194 Y196 S215 | A43-D141 WeakPolarHBondContact CA-O 3.37Å; A43-L194 HydrophobicContact CB-CD1 3.93Å; A43-L194 VanDerWaalsContact O-CD1 3.25Å; A43-L194 WeakPolarHBondContact O-CD1 3.33Å; A43-Y196 HydrophobicContact CB-CE1 4.11Å; A43-S215 VanDerWaalsContact CB-OG 3.22Å; A43-S215 WeakPolarHBondContact CB-OG 3.4Å |
| 44 | F | 91.3 | Very high | 85.6 | Confident | 41 Ų | 41 | 35.3 Ų | 35.3 | 18% | 0.18 | 21% | 0.206 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -136.3 | 162.8 | 178.3 | -63.2 | -93.9 | 0 | 0 | 0 | 110.8 | A42 V48 V50 L140 D141 I142 Q143 | A42-F44 HydrophobicContact CB-CE2 4.07Å; F44-V48 HydrophobicContact CB-CG2 3.93Å; F44-V48 HydrophobicContact CD1-CG2 4.17Å; F44-V48 HydrophobicContact CG-CG2 4.41Å; F44-V50 HydrophobicContact CB-CG2 4.06Å; F44-V50 HydrophobicContact CD1-CG2 4.13Å; F44-V50 HydrophobicContact CD2-CG1 3.93Å; F44-V50 HydrophobicContact CD2-CG2 3.93Å; F44-V50 HydrophobicContact CE1-CG1 4.48Å; F44-V50 HydrophobicContact CE2-CG1 3.61Å; F44-V50 HydrophobicContact CE2-CG2 4.4Å; F44-V50 HydrophobicContact CG-CG1 4.48Å; F44-V50 HydrophobicContact CG-CG2 3.78Å; F44-V50 HydrophobicContact CZ-CG1 3.92Å; F44-L140 HydrophobicContact CD2-CD1 3.59Å; F44-L140 HydrophobicContact CE2-CD1 3.87Å; F44-D141 PolarHBondContact N-O 2.79Å; F44-I142 HydrophobicContact CB-CD1 3.83Å; F44-I142 HydrophobicContact CD2-CD1 4.43Å; F44-I142 WeakPolarHBondContact O-CA 3.28Å; F44-Q143 PolarHBondContact O-N 2.93Å |
| 45 | I | 89.3 | Confident | 85.9 | Confident | 5 Ų | 5 | 36.8 Ų | 36.8 | 3% | 0.026 | 21% | 0.208 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -88.5 | 144.9 | 171.1 | -169.1 | 161.4 | 0 | 0 | 0 | 108.8 | V48 Q143 A145 I192 L194 V234 T328 | I45-V48 HydrophobicContact CG2-CG1 3.47Å; I45-V48 VanDerWaalsContact CG2-CG1 3.47Å; I45-V48 WeakPolarHBondContact O-CG2 3.25Å; I45-Q143 CarbonylContact C-O 3.58Å; I45-Q143 WeakPolarHBondContact CA-O 3.25Å; I45-A145 HydrophobicContact CD1-CB 3.52Å; I45-A145 HydrophobicContact CG1-CB 3.98Å; I45-I192 HydrophobicContact CB-CG2 4.07Å; I45-I192 HydrophobicContact CD1-CG2 3.82Å; I45-I192 HydrophobicContact CG2-CD1 3.91Å; I45-I192 HydrophobicContact CG2-CG2 4.25Å; I45-L194 HydrophobicContact CB-CD2 4.16Å; I45-V234 HydrophobicContact CD1-CG2 3.4Å; I45-V234 VanDerWaalsContact CD1-CG2 3.4Å; I45-T328 HydrophobicContact CD1-CG2 3.66Å; I45-T328 HydrophobicContact CG1-CG2 4.07Å |
| 46 | A | 87.8 | Confident | 86.4 | Confident | 14 Ų | 14 | 32.2 Ų | 32.2 | 12% | 0.116 | 17% | 0.17 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -55.9 | 150.6 | 175.8 | 0 | 0 | 0 | 0 | 0 | 112 | A117 P119 I142 Q143 T328 | A46-A117 CarbonylContact C-O 3.51Å; A46-A117 WeakPolarHBondContact CA-O 3.39Å; A46-P119 HydrophobicContact CB-CG 4.48Å; A46-I142 HydrophobicContact CB-CG2 3.93Å; A46-Q143 PolarHBondContact N-O 3.36Å; A46-T328 WeakPolarHBondContact O-CB 3.08Å; A46-T328 PolarHBondContact O-OG1 3.46Å |
| 47 | G | 80.7 | Confident | 86.6 | Confident | 12 Ų | 12 | 25.2 Ų | 25.2 | 12% | 0.124 | 14% | 0.14 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 88.8 | -13 | 179.3 | 0 | 0 | 0 | 0 | 0 | 115.3 | A117 G329 H331 | G47-A117 PolarHBondContact N-O 3.01Å; G47-G329 VanDerWaalsContact O-CA 3.27Å; G47-G329 WeakPolarHBondContact O-CA 3.12Å; G47-H331 PolarHBondContact O-CE1 3.37Å |
| 48 | V | 84.2 | Confident | 86.5 | Confident | 16 Ų | 16 | 25.5 Ų | 25.5 | 10% | 0.097 | 14% | 0.144 | C | C | . | . | S | Bend | trans | -82.4 | 158.3 | 179.1 | -54.6 | 0 | 0 | 0 | 0 | 112.1 | F44 I45 V50 A117 | F44-V48 HydrophobicContact CB-CG2 3.93Å; F44-V48 HydrophobicContact CD1-CG2 4.17Å; F44-V48 HydrophobicContact CG-CG2 4.41Å; I45-V48 HydrophobicContact CG2-CG1 3.47Å; I45-V48 VanDerWaalsContact CG2-CG1 3.47Å; I45-V48 WeakPolarHBondContact O-CG2 3.25Å; V48-V50 HydrophobicContact CG2-CG2 3.97Å; V48-A117 WeakPolarHBondContact O-CB 3.42Å; V48-A117 PolarHBondContact O-N 3.48Å |
| 49 | T | 83.3 | Confident | 86.2 | Confident | 25 Ų | 25 | 32 Ų | 32 | 15% | 0.153 | 17% | 0.171 | C | C | . | . | P | Polyproline II helix | trans | -81.4 | 125.4 | 164.3 | -60.2 | 0 | 0 | 0 | 0 | 109.6 | I114 F115 P296 | T49-I114 CarbonylContact C-O 3.56Å; T49-I114 VanDerWaalsContact CA-O 3.24Å; T49-I114 WeakPolarHBondContact CA-O 3.43Å; T49-F115 HydrophobicContact CG2-CD1 3.66Å; T49-F115 HydrophobicContact CG2-CE1 3.97Å; T49-P296 HydrophobicContact CG2-CG 4.2Å; T49-P296 WeakPolarHBondContact O-CB 3.41Å; T49-P296 VanDerWaalsContact O-CG 3.3Å; T49-P296 WeakPolarHBondContact O-CG 3.5Å |
| 50 | V | 87.9 | Confident | 85.6 | Confident | 0 Ų | 0 | 39.6 Ų | 39.6 | 0% | 0 | 21% | 0.207 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -100.4 | 138.3 | 179.2 | 178.1 | 0 | 0 | 0 | 0 | 109.6 | F44 V48 L52 L113 I114 A117 L140 I142 | F44-V50 HydrophobicContact CB-CG2 4.06Å; F44-V50 HydrophobicContact CD1-CG2 4.13Å; F44-V50 HydrophobicContact CD2-CG1 3.93Å; F44-V50 HydrophobicContact CD2-CG2 3.93Å; F44-V50 HydrophobicContact CE1-CG1 4.48Å; F44-V50 HydrophobicContact CE2-CG1 3.61Å; F44-V50 HydrophobicContact CE2-CG2 4.4Å; F44-V50 HydrophobicContact CG-CG1 4.48Å; F44-V50 HydrophobicContact CG-CG2 3.78Å; F44-V50 HydrophobicContact CZ-CG1 3.92Å; V48-V50 HydrophobicContact CG2-CG2 3.97Å; V50-L52 HydrophobicContact CG1-CD2 3.78Å; V50-L52 HydrophobicContact CG1-CG 3.96Å; V50-L113 CarbonylContact O-C 3.58Å; V50-L113 WeakPolarHBondContact O-CA 3.2Å; V50-I114 HydrophobicContact CB-CB 4.2Å; V50-I114 HydrophobicContact CB-CD1 4.5Å; V50-I114 HydrophobicContact CB-CG1 4.5Å; V50-I114 PolarHBondContact N-O 3.05Å; V50-I114 PolarHBondContact O-N 2.81Å; V50-A117 HydrophobicContact CG2-CB 3.8Å; V50-L140 HydrophobicContact CG1-CD1 4.12Å; V50-I142 HydrophobicContact CG2-CD1 3.97Å |
| 51 | E | 89 | Confident | 84.8 | Confident | 103 Ų | 103 | 39.8 Ų | 39.8 | 48% | 0.481 | 21% | 0.208 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.9 | 119.4 | 171.7 | -179.3 | 176.8 | -174.1 | 0 | 0 | 108.9 | P53 L112 L113 | E51-P53 WeakPolarHBondContact O-CD 3.41Å; E51-L112 CarbonylContact C-O 3.59Å; E51-L112 WeakPolarHBondContact CA-O 3.48Å; E51-L113 HydrophobicContact CB-CD2 3.72Å; E51-L113 HydrophobicContact CG-CD2 3.7Å |
| 52 | L | 90.8 | Very high | 84 | Confident | 2 Ų | 2 | 46.8 Ų | 46.8 | 1% | 0.01 | 24% | 0.24 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.8 | 100.2 | 176.2 | -58.6 | -176.9 | 0 | 0 | 0 | 108.9 | V50 W66 S111 L112 I114 Y125 Y138 L140 | V50-L52 HydrophobicContact CG1-CD2 3.78Å; V50-L52 HydrophobicContact CG1-CG 3.96Å; L52-W66 HydrophobicContact CB-CH2 3.86Å; L52-W66 HydrophobicContact CB-CZ2 4.38Å; L52-W66 HydrophobicContact CB-CZ3 4.38Å; L52-W66 WeakPolarHBondContact O-CZ2 3.3Å; L52-S111 CarbonylContact O-C 3.39Å; L52-S111 VanDerWaalsContact O-CA 3.3Å; L52-S111 WeakPolarHBondContact O-CA 3.01Å; L52-L112 HydrophobicContact CB-CB 4.33Å; L52-L112 HydrophobicContact CD1-CD2 4.44Å; L52-L112 PolarHBondContact N-O 2.78Å; L52-L112 PolarHBondContact O-N 2.94Å; L52-I114 HydrophobicContact CD1-CD1 4.41Å; L52-Y125 HydrophobicContact CD1-CD1 4.24Å; L52-Y125 HydrophobicContact CD1-CD2 4.12Å; L52-Y125 HydrophobicContact CD1-CG 3.78Å; L52-Y138 HydrophobicContact CB-CD2 4.09Å; L52-Y138 HydrophobicContact CB-CE2 4.07Å; L52-Y138 HydrophobicContact CD1-CD2 4.34Å; L52-Y138 HydrophobicContact CD1-CG 4.4Å; L52-Y138 HydrophobicContact CD2-CD1 4.17Å; L52-Y138 HydrophobicContact CD2-CD2 4.37Å; L52-Y138 HydrophobicContact CD2-CE1 4.45Å; L52-Y138 HydrophobicContact CD2-CG 4.1Å; L52-L140 HydrophobicContact CD1-CD2 4.37Å; L52-L140 HydrophobicContact CD2-CD1 4.38Å |
| 53 | P | 89.9 | Confident | 83.1 | Confident | 39 Ų | 39 | 47.9 Ų | 47.9 | 25% | 0.253 | 25% | 0.247 | S | C | . | . | trans | -75.4 | 136.2 | 175.8 | 28.9 | -32.8 | 0 | 0 | 0 | 111.1 | E51 H55 S111 Y138 | E51-P53 WeakPolarHBondContact O-CD 3.41Å; P53-H55 VanDerWaalsContact CG-CE1 3.48Å; P53-H55 WeakPolarHBondContact CG-CE1 3.39Å; P53-H55 PolarHBondContact O-N 2.99Å; P53-S111 WeakPolarHBondContact CA-OG 3.31Å; P53-Y138 WeakPolarHBondContact CD-OH 3.27Å; P53-Y138 WeakPolarHBondContact O-CE2 3.2Å; P53-Y138 PolarHBondContact O-OH 3.32Å | ||
| 54 | C | 87.3 | Confident | 82.6 | Confident | 8 Ų | 8 | 48.2 Ų | 48.2 | 5% | 0.054 | 25% | 0.248 | C | C | . | . | trans | -74.6 | 120.6 | 163.2 | -167.8 | 0 | 0 | 0 | 0 | 106.9 | F28 C56 V64 W66 F110 C127 | F28-C54 WeakPolarHBondContact CE1-O 3.24Å; C54-C56 PolarHBondContact SG-O 3.31Å; C54-C56 VanDerWaalsContact SG-O 3.35Å; C54-V64 HydrophobicContact CB-CG1 4.2Å; C54-W66 HydrophobicContact CB-CZ2 4.02Å; C54-F110 HydrophobicContact CB-CB 4.49Å; C54-C127 HydrophobicContact CB-CB 3.7Å; C54-C127 WeakPolarHBondContact CB-SG 3.43Å; C54-C127 WeakPolarHBondContact SG-CB 3.27Å; C54-C127 CovalentContact SG-SG 2.06Å; C54-C127 PolarHBondContact SG-SG 2.85Å | ||
| 55 | H | 84.4 | Confident | 82.2 | Confident | 82 Ų | 82 | 47.5 Ų | 47.5 | 38% | 0.38 | 25% | 0.247 | S | C | . | . | trans | -91.2 | -16 | -171.6 | -79.1 | -51 | 0 | 0 | 0 | 114.4 | P53 Y136 Y138 | P53-H55 VanDerWaalsContact CG-CE1 3.48Å; P53-H55 WeakPolarHBondContact CG-CE1 3.39Å; P53-H55 PolarHBondContact O-N 2.99Å; H55-Y136 HydrophobicContact CB-CD2 4.41Å; H55-Y136 HydrophobicContact CB-CE2 4.22Å; H55-Y136 AromaticContact CD2-CE1 3.84Å; H55-Y136 AromaticContact CD2-CZ 3.73Å; H55-Y138 PolarHBondContact CD2-OH 3.04Å; H55-Y138 PolarHBondContact NE2-OH 3.39Å; H55-Y138 VanDerWaalsContact NE2-OH 3.13Å | ||
| 56 | C | 83.5 | Confident | 82 | Confident | 2 Ų | 2 | 47.3 Ų | 47.3 | 1% | 0.014 | 25% | 0.246 | C | C | . | . | trans | -149.6 | 149.5 | -175.8 | 83.1 | 0 | 0 | 0 | 0 | 109 | C33 C54 | C33-C56 WeakPolarHBondContact CA-SG 3.09Å; C33-C56 HydrophobicContact CB-CB 3.94Å; C33-C56 WeakPolarHBondContact CB-SG 3.4Å; C33-C56 WeakPolarHBondContact SG-CB 3.05Å; C33-C56 CovalentContact SG-SG 2.04Å; C33-C56 PolarHBondContact SG-SG 2.97Å; C54-C56 PolarHBondContact SG-O 3.31Å; C54-C56 VanDerWaalsContact SG-O 3.35Å | ||
| 57 | K | 81.8 | Confident | 81.9 | Confident | 28 Ų | 28 | 47.1 Ų | 47.1 | 12% | 0.122 | 24% | 0.243 | C | C | . | . | trans | -158 | 141.9 | 174.6 | -164.5 | -173.9 | 80.1 | 174.8 | 0 | 108.8 | F28 C33 V61 Q62 V64 F135 | F28-K57 HydrophobicContact CD1-CB 4.13Å; F28-K57 HydrophobicContact CE1-CB 4.39Å; F28-K57 HydrophobicContact CG-CB 4.3Å; C33-K57 PolarHBondContact SG-N 3.33Å; K57-V61 HydrophobicContact CD-CB 3.85Å; K57-V61 HydrophobicContact CD-CG1 3.67Å; K57-V61 WeakPolarHBondContact CE-O 3.11Å; K57-V61 HydrophobicContact CG-CB 3.91Å; K57-V61 HydrophobicContact CG-CG1 4.04Å; K57-V61 VanDerWaalsContact NZ-C 3.3Å; K57-V61 PolarHBondContact NZ-O 3.47Å; K57-Q62 PolarHBondContact NZ-O 3.14Å; K57-V64 HydrophobicContact CD-CG2 3.41Å; K57-V64 VanDerWaalsContact CD-CG2 3.41Å; K57-V64 HydrophobicContact CG-CG2 4.19Å; K57-F135 HydrophobicContact CB-CD2 4.42Å; K57-F135 HydrophobicContact CG-CD2 3.83Å; K57-F135 HydrophobicContact CG-CE2 3.68Å | ||
| 58 | P | 81 | Confident | 82.2 | Confident | 45 Ų | 45 | 47.3 Ų | 47.3 | 29% | 0.292 | 24% | 0.24 | S | C | . | . | trans | -59.7 | 148.7 | 169.4 | -21 | 32.4 | 0 | 0 | 0 | 111.9 | E60 V61 F135 | P58-E60 VanDerWaalsContact CB-OE2 3.27Å; P58-E60 WeakPolarHBondContact CB-OE2 3.35Å; P58-E60 PolarHBondContact O-N 3.02Å; P58-V61 HydrophobicContact CB-CG2 4.14Å; P58-V61 HydrophobicContact CG-CG2 4.27Å; P58-V61 PolarHBondContact O-N 2.95Å; P58-F135 VanDerWaalsContact CD-CE1 3.42Å; P58-F135 HydrophobicContact CG-CD1 3.93Å; P58-F135 HydrophobicContact CG-CE1 3.56Å; P58-F135 HydrophobicContact CG-CZ 4Å | ||
| 59 | E | 74.4 | Confident | 82.2 | Confident | 171 Ų | 171 | 47.4 Ų | 47.4 | 80% | 0.799 | 24% | 0.238 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -63.8 | -30.2 | -178.2 | -68.5 | -174.1 | 176.6 | 0 | 0 | 112.1 | V61 | E59-V61 PolarHBondContact O-N 3.45Š|
| 60 | E | 73.3 | Confident | 82.1 | Confident | 162 Ų | 162 | 48.8 Ų | 48.8 | 76% | 0.757 | 24% | 0.243 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -72 | -18.6 | -177.4 | -55.5 | 79.1 | -171 | 0 | 0 | 112.8 | P58 | P58-E60 VanDerWaalsContact CB-OE2 3.27Å; P58-E60 WeakPolarHBondContact CB-OE2 3.35Å; P58-E60 PolarHBondContact O-N 3.02Å |
| 61 | V | 71.7 | Confident | 81.7 | Confident | 28 Ų | 28 | 53.3 Ų | 53.3 | 17% | 0.17 | 26% | 0.263 | C | S | . | . | trans | -87.2 | 135.5 | -178.2 | -178.6 | 0 | 0 | 0 | 0 | 107.6 | K57 P58 E59 S63 F135 | K57-V61 HydrophobicContact CD-CB 3.85Å; K57-V61 HydrophobicContact CD-CG1 3.67Å; K57-V61 WeakPolarHBondContact CE-O 3.11Å; K57-V61 HydrophobicContact CG-CB 3.91Å; K57-V61 HydrophobicContact CG-CG1 4.04Å; K57-V61 VanDerWaalsContact NZ-C 3.3Å; K57-V61 PolarHBondContact NZ-O 3.47Å; P58-V61 HydrophobicContact CB-CG2 4.14Å; P58-V61 HydrophobicContact CG-CG2 4.27Å; P58-V61 PolarHBondContact O-N 2.95Å; E59-V61 PolarHBondContact O-N 3.45Å; V61-S63 WeakPolarHBondContact CG1-O 3.45Å; V61-F135 HydrophobicContact CB-CZ 4.5Å; V61-F135 HydrophobicContact CG1-CE2 4.2Å; V61-F135 HydrophobicContact CG1-CZ 4.39Å; V61-F135 HydrophobicContact CG2-CE2 4.26Å; V61-F135 HydrophobicContact CG2-CZ 3.72Å | ||
| 62 | Q | 69.8 | Low | 80.7 | Confident | 178 Ų | 178 | 51.4 Ų | 51.4 | 83% | 0.832 | 25% | 0.252 | S | S | * | . | trans | -100.5 | -32.8 | 178.9 | -68.5 | -177.7 | -7.3 | 0 | 0 | 112.5 | K57 | K57-Q62 PolarHBondContact NZ-O 3.14Š| ||
| 63 | S | 73.8 | Confident | 79.6 | Confident | 37 Ų | 37 | 55.9 Ų | 55.9 | 26% | 0.259 | 28% | 0.283 | S | S | . | . | trans | -125.4 | 151.5 | -178.6 | 60.2 | 0 | 0 | 0 | 0 | 112.2 | V61 | V61-S63 WeakPolarHBondContact CG1-O 3.45Š| ||
| 64 | V | 79.8 | Confident | 78.4 | Confident | 14 Ų | 14 | 55.2 Ų | 55.2 | 9% | 0.085 | 28% | 0.28 | C | S | . | . | trans | -107.2 | 132.5 | 176.6 | 174.3 | 0 | 0 | 0 | 0 | 109 | C54 K57 F110 C127 | C54-V64 HydrophobicContact CB-CG1 4.2Å; K57-V64 HydrophobicContact CD-CG2 3.41Å; K57-V64 VanDerWaalsContact CD-CG2 3.41Å; K57-V64 HydrophobicContact CG-CG2 4.19Å; V64-F110 HydrophobicContact CB-CB 4.15Å; V64-F110 HydrophobicContact CB-CD1 3.9Å; V64-F110 HydrophobicContact CB-CG 4.46Å; V64-F110 HydrophobicContact CG2-CB 3.97Å; V64-F110 HydrophobicContact CG2-CD1 3.65Å; V64-F110 HydrophobicContact CG2-CE1 4.5Å; V64-F110 HydrophobicContact CG2-CG 4.06Å; V64-C127 HydrophobicContact CG1-CB 3.59Å | ||
| 65 | V | 82.5 | Confident | 77.1 | Confident | 27 Ų | 27 | 60.4 Ų | 60.4 | 16% | 0.164 | 30% | 0.301 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106 | 138 | 171.4 | -176.6 | 0 | 0 | 0 | 0 | 108.7 | F67 A80 C127 G128 A130 | V65-F67 HydrophobicContact CB-CE2 3.91Å; V65-F67 HydrophobicContact CB-CZ 4.05Å; V65-F67 HydrophobicContact CG1-CD2 4.44Å; V65-F67 HydrophobicContact CG1-CE1 4.12Å; V65-F67 HydrophobicContact CG1-CE2 3.82Å; V65-F67 HydrophobicContact CG1-CZ 3.63Å; V65-A80 HydrophobicContact CG1-CB 4.48Å; V65-C127 WeakPolarHBondContact O-CA 3.31Å; V65-G128 PolarHBondContact N-O 2.96Å; V65-G128 PolarHBondContact O-N 2.97Å; V65-A130 HydrophobicContact CG2-CB 4.38Å |
| 66 | W | 85.9 | Confident | 75.8 | Confident | 0 Ų | 0 | 64.7 Ų | 64.7 | 0% | 0 | 33% | 0.327 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.9 | 135.8 | 175.7 | -80.9 | 93.7 | 0 | 0 | 0 | 110.8 | L52 C54 L81 I107 F110 L112 I126 C127 Y138 | L52-W66 HydrophobicContact CB-CH2 3.86Å; L52-W66 HydrophobicContact CB-CZ2 4.38Å; L52-W66 HydrophobicContact CB-CZ3 4.38Å; L52-W66 WeakPolarHBondContact O-CZ2 3.3Å; C54-W66 HydrophobicContact CB-CZ2 4.02Å; W66-L81 HydrophobicContact CB-CB 4.19Å; W66-L81 HydrophobicContact CB-CD1 4.25Å; W66-L81 PolarHBondContact O-N 2.85Å; W66-I107 HydrophobicContact CB-CD1 4.36Å; W66-F110 PolarHBondContact NE1-O 3.47Å; W66-L112 HydrophobicContact CB-CD1 4.39Å; W66-L112 HydrophobicContact CB-CD2 4.5Å; W66-L112 HydrophobicContact CD2-CB 3.67Å; W66-L112 HydrophobicContact CD2-CD2 4.16Å; W66-L112 HydrophobicContact CD2-CG 4.43Å; W66-L112 HydrophobicContact CE3-CB 4.21Å; W66-L112 HydrophobicContact CE3-CD2 4.08Å; W66-L112 HydrophobicContact CG-CB 3.91Å; W66-L112 HydrophobicContact CG-CD1 4.32Å; W66-L112 HydrophobicContact CG-CD2 4.35Å; W66-L112 HydrophobicContact CG-CG 4.44Å; W66-L112 HydrophobicContact CZ2-CB 4.03Å; W66-I126 CarbonylContact C-O 3.53Å; W66-I126 WeakPolarHBondContact CA-O 3.48Å; W66-C127 HydrophobicContact CD2-CB 4.03Å; W66-C127 HydrophobicContact CE3-CB 4.12Å; W66-C127 HydrophobicContact CH2-CB 3.96Å; W66-C127 HydrophobicContact CZ2-CB 3.84Å; W66-C127 HydrophobicContact CZ3-CB 4.09Å; W66-Y138 AromaticContact CH2-CD2 3.89Å; W66-Y138 HydrophobicContact CH2-CD2 3.89Å; W66-Y138 AromaticContact CH2-CE2 3.85Å; W66-Y138 HydrophobicContact CH2-CE2 3.85Å; W66-Y138 HydrophobicContact CZ3-CD2 4.12Å |
| 67 | F | 85.8 | Confident | 74.8 | Confident | 11 Ų | 11 | 68.5 Ų | 68.5 | 5% | 0.048 | 35% | 0.345 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.9 | 142.9 | 177.9 | -57.6 | -89.4 | 0 | 0 | 0 | 109.8 | V65 T78 R79 A80 Y125 I126 K132 F134 | V65-F67 HydrophobicContact CB-CE2 3.91Å; V65-F67 HydrophobicContact CB-CZ 4.05Å; V65-F67 HydrophobicContact CG1-CD2 4.44Å; V65-F67 HydrophobicContact CG1-CE1 4.12Å; V65-F67 HydrophobicContact CG1-CE2 3.82Å; V65-F67 HydrophobicContact CG1-CZ 3.63Å; F67-T78 HydrophobicContact CB-CG2 3.97Å; F67-T78 HydrophobicContact CD1-CG2 4.04Å; F67-T78 HydrophobicContact CG-CG2 4.34Å; F67-R79 CarbonylContact C-O 3.48Å; F67-R79 WeakPolarHBondContact CA-O 3.38Å; F67-A80 HydrophobicContact CD1-CB 4.12Å; F67-A80 HydrophobicContact CE1-CB 4.1Å; F67-Y125 CarbonylContact O-C 3.6Å; F67-Y125 WeakPolarHBondContact O-CA 3.47Å; F67-I126 HydrophobicContact CB-CB 4.35Å; F67-I126 PolarHBondContact N-O 2.96Å; F67-I126 PolarHBondContact O-N 2.74Å; F67-K132 HydrophobicContact CE1-CG 4.27Å; F67-K132 HydrophobicContact CZ-CG 4.17Å; F67-F134 HydrophobicContact CD2-CD1 4.1Å; F67-F134 AromaticContact CD2-CE1 3.63Å; F67-F134 HydrophobicContact CD2-CE1 3.63Å; F67-F134 HydrophobicContact CE2-CD1 4.28Å; F67-F134 AromaticContact CE2-CE1 3.83Å; F67-F134 HydrophobicContact CE2-CE1 3.83Å; F67-F134 HydrophobicContact CG-CE1 4.01Å; F67-F134 HydrophobicContact CZ-CE1 4.36Å |
| 68 | F | 86 | Confident | 74.2 | Confident | 16 Ų | 16 | 68.8 Ų | 68.8 | 7% | 0.07 | 35% | 0.349 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.7 | 138.9 | 176.5 | 173.4 | -108.9 | 0 | 0 | 0 | 110.6 | K70 R79 L81 L124 Y125 | F68-K70 HydrophobicContact CZ-CD 4.14Å; F68-R79 PolarHBondContact N-O 2.82Å; F68-R79 PolarHBondContact O-N 3.03Å; F68-L81 HydrophobicContact CB-CD1 4.18Å; F68-L81 HydrophobicContact CB-CD2 3.93Å; F68-L81 HydrophobicContact CB-CG 4.12Å; F68-L124 CarbonylContact C-O 3.57Å; F68-L124 WeakPolarHBondContact CA-O 3.18Å; F68-Y125 HydrophobicContact CB-CE1 4.36Å; F68-Y125 HydrophobicContact CD2-CD1 4.14Å; F68-Y125 HydrophobicContact CD2-CD2 4.17Å; F68-Y125 AromaticContact CD2-CE1 3.65Å; F68-Y125 HydrophobicContact CD2-CE1 3.65Å; F68-Y125 AromaticContact CD2-CE2 3.65Å; F68-Y125 HydrophobicContact CD2-CE2 3.65Å; F68-Y125 HydrophobicContact CD2-CG 4.39Å; F68-Y125 AromaticContact CD2-CZ 3.39Å; F68-Y125 HydrophobicContact CE2-CE1 4.39Å; F68-Y125 AromaticContact CE2-CE2 3.74Å; F68-Y125 HydrophobicContact CE2-CE2 3.74Å; F68-Y125 AromaticContact CE2-CZ 3.67Å; F68-Y125 HydrophobicContact CG-CE1 4.34Å |
| 69 | R | 84.4 | Confident | 73.8 | Confident | 17 Ų | 17 | 70.7 Ų | 70.7 | 6% | 0.064 | 35% | 0.35 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.5 | 135.6 | 170.7 | -62.5 | 177.2 | 174.7 | 177.7 | -3.3 | 109.2 | T78 L124 | R69-T78 HydrophobicContact CG-CG2 4.11Å; R69-T78 VanDerWaalsContact CZ-OG1 3.26Å; R69-T78 PolarHBondContact NE-OG1 3.07Å; R69-T78 PolarHBondContact NH2-OG1 2.97Å; R69-L124 HydrophobicContact CB-CB 4.27Å; R69-L124 PolarHBondContact N-O 3.4Å; R69-L124 PolarHBondContact O-N 3.39Å |
| 70 | K | 81.9 | Confident | 73.7 | Confident | 55 Ų | 55 | 64.3 Ų | 64.3 | 24% | 0.239 | 33% | 0.326 | C | S | . | . | S | Bend | trans | -74.2 | -41.4 | 176.7 | -168.8 | 63.9 | 175.6 | 175.7 | 0 | 112.1 | F68 E120 S122 | F68-K70 HydrophobicContact CZ-CD 4.14Å; K70-E120 PolarHBondContact NZ-O 2.92Å; K70-S122 WeakPolarHBondContact CD-O 3.14Å; K70-S122 PolarHBondContact NZ-O 3.12Å |
| 71 | H | 78.3 | Confident | 73.7 | Confident | 95 Ų | 95 | 57.4 Ų | 57.4 | 44% | 0.44 | 29% | 0.294 | S | S | . | . | trans | -135.5 | 150.8 | 179.4 | -60 | -59.6 | 0 | 0 | 0 | 110.2 | S73 S74 | H71-S73 VanDerWaalsContact C-N 3.32Å; H71-S73 PolarHBondContact O-N 2.75Å; H71-S74 PolarHBondContact O-N 3.05Å | ||
| 72 | W | 69.5 | Low | 73.2 | Confident | 63 Ų | 63 | 58.2 Ų | 58.2 | 24% | 0.239 | 30% | 0.3 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -62.3 | -38.5 | 176.5 | 178 | -100 | 0 | 0 | 0 | 112.6 | F39 S74 F75 L124 R205 E219 | F39-W72 HydrophobicContact CE2-CE3 4.04Å; F39-W72 HydrophobicContact CE2-CH2 4.47Å; F39-W72 AromaticContact CE2-CZ3 3.59Å; F39-W72 HydrophobicContact CE2-CZ3 3.59Å; F39-W72 HydrophobicContact CZ-CE3 4.13Å; F39-W72 AromaticContact CZ-CZ3 3.66Å; F39-W72 HydrophobicContact CZ-CZ3 3.66Å; W72-S74 VanDerWaalsContact C-N 3.26Å; W72-S74 PolarHBondContact O-N 2.83Å; W72-F75 AromaticContact CE2-CZ 3.96Å; W72-F75 HydrophobicContact CH2-CE1 4.46Å; W72-F75 HydrophobicContact CZ2-CE1 4.07Å; W72-F75 AromaticContact CZ2-CZ 3.86Å; W72-F75 HydrophobicContact CZ2-CZ 3.86Å; W72-L124 HydrophobicContact CB-CD1 4.08Å; W72-L124 HydrophobicContact CE3-CD1 3.74Å; W72-R205 VanDerWaalsContact CE2-NH1 3.25Å; W72-E219 VanDerWaalsContact CB-OE1 3.23Å; W72-E219 WeakPolarHBondContact CB-OE1 3.49Å; W72-E219 VanDerWaalsContact N-CD 3.26Å; W72-E219 PolarHBondContact N-OE1 2.94Å; W72-E219 PolarHBondContact N-OE2 3.31Å |
| 73 | S | 66.6 | Low | 72.5 | Confident | 96 Ų | 96 | 50.6 Ų | 50.6 | 67% | 0.671 | 27% | 0.265 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -72 | -16.6 | -176.8 | 53.4 | 0 | 0 | 0 | 0 | 114.1 | H71 F75 | H71-S73 VanDerWaalsContact C-N 3.32Å; H71-S73 PolarHBondContact O-N 2.75Å; S73-F75 PolarHBondContact O-N 2.84Å |
| 74 | S | 64.8 | Low | 71.4 | Confident | 25 Ų | 25 | 53.2 Ų | 53.2 | 18% | 0.175 | 28% | 0.276 | C | S | . | . | trans | -95.8 | 73 | -178 | -162.8 | 0 | 0 | 0 | 0 | 111.2 | H71 W72 D76 E77 | H71-S74 PolarHBondContact O-N 3.05Å; W72-S74 VanDerWaalsContact C-N 3.26Å; W72-S74 PolarHBondContact O-N 2.83Å; S74-D76 PolarHBondContact O-N 2.95Å; S74-E77 PolarHBondContact O-N 2.85Å; S74-E77 WeakPolarHBondContact OG-CB 3.39Å; S74-E77 WeakPolarHBondContact OG-CG 3.38Å; S74-E77 PolarHBondContact OG-OE1 2.87Å | ||
| 75 | F | 59.3 | Low | 69.7 | Low | 117 Ų | 117 | 60.2 Ų | 60.2 | 51% | 0.513 | 31% | 0.307 | S | S | . | . | G | 310 helix | trans | -61.1 | -32.6 | 178.9 | -71.7 | -81.8 | 0 | 0 | 0 | 112.6 | W72 S73 E77 T78 | W72-F75 AromaticContact CE2-CZ 3.96Å; W72-F75 HydrophobicContact CH2-CE1 4.46Å; W72-F75 HydrophobicContact CZ2-CE1 4.07Å; W72-F75 AromaticContact CZ2-CZ 3.86Å; W72-F75 HydrophobicContact CZ2-CZ 3.86Å; S73-F75 PolarHBondContact O-N 2.84Å; F75-E77 PolarHBondContact O-N 2.83Å; F75-T78 PolarHBondContact O-N 3.46Å; F75-T78 PolarHBondContact O-OG1 3.38Å |
| 76 | D | 57.4 | Low | 67.8 | Low | 171 Ų | 171 | 61.5 Ų | 61.5 | 91% | 0.914 | 33% | 0.326 | S | S | * | . | G | 310 helix | trans | -71.3 | -12.2 | -179.9 | -64.1 | -27.1 | 0 | 0 | 0 | 113.5 | S74 | S74-D76 PolarHBondContact O-N 2.95Š|
| 77 | E | 62.1 | Low | 65.5 | Low | 83 Ų | 83 | 67.5 Ų | 67.5 | 39% | 0.388 | 36% | 0.358 | S | S | . | . | G | 310 helix | trans | -99.9 | 15.3 | 179.8 | -75.3 | 176 | -135.6 | 0 | 0 | 114 | S74 F75 R79 | S74-E77 PolarHBondContact O-N 2.85Å; S74-E77 WeakPolarHBondContact OG-CB 3.39Å; S74-E77 WeakPolarHBondContact OG-CG 3.38Å; S74-E77 PolarHBondContact OG-OE1 2.87Å; F75-E77 PolarHBondContact O-N 2.83Å; E77-R79 WeakPolarHBondContact O-CG 3.35Å; E77-R79 PolarHBondContact O-N 2.7Å |
| 78 | T | 69 | Low | 63.5 | Low | 33 Ų | 33 | 76 Ų | 76 | 20% | 0.202 | 40% | 0.395 | C | S | . | . | trans | -67.6 | 105.1 | 177.6 | -49 | 0 | 0 | 0 | 0 | 110.7 | F67 R69 F75 | F67-T78 HydrophobicContact CB-CG2 3.97Å; F67-T78 HydrophobicContact CD1-CG2 4.04Å; F67-T78 HydrophobicContact CG-CG2 4.34Å; R69-T78 HydrophobicContact CG-CG2 4.11Å; R69-T78 VanDerWaalsContact CZ-OG1 3.26Å; R69-T78 PolarHBondContact NE-OG1 3.07Å; R69-T78 PolarHBondContact NH2-OG1 2.97Å; F75-T78 PolarHBondContact O-N 3.46Å; F75-T78 PolarHBondContact O-OG1 3.38Å | ||
| 79 | R | 73.8 | Confident | 61.3 | Low | 86 Ų | 86 | 80.5 Ų | 80.5 | 33% | 0.325 | 42% | 0.419 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.3 | 128.1 | -179.3 | -64.4 | 173.6 | -164.3 | -178 | 4.8 | 110.1 | F67 F68 E77 | F67-R79 CarbonylContact C-O 3.48Å; F67-R79 WeakPolarHBondContact CA-O 3.38Å; F68-R79 PolarHBondContact N-O 2.82Å; F68-R79 PolarHBondContact O-N 3.03Å; E77-R79 WeakPolarHBondContact O-CG 3.35Å; E77-R79 PolarHBondContact O-N 2.7Å |
| 80 | A | 72.4 | Confident | 59.2 | Low | 36 Ų | 36 | 86.4 Ų | 86.4 | 30% | 0.298 | 45% | 0.451 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -75.2 | 132.5 | 168.6 | 0 | 0 | 0 | 0 | 0 | 109.8 | V65 F67 | V65-A80 HydrophobicContact CG1-CB 4.48Å; F67-A80 HydrophobicContact CD1-CB 4.12Å; F67-A80 HydrophobicContact CE1-CB 4.1Å |
| 81 | L | 73.1 | Confident | 57 | Low | 17 Ų | 17 | 90 Ų | 90 | 9% | 0.089 | 47% | 0.473 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.6 | 127.2 | 176.7 | -58.7 | 179 | 0 | 0 | 0 | 109.2 | W66 F68 F105 L112 Y125 | W66-L81 HydrophobicContact CB-CB 4.19Å; W66-L81 HydrophobicContact CB-CD1 4.25Å; W66-L81 PolarHBondContact O-N 2.85Å; F68-L81 HydrophobicContact CB-CD1 4.18Å; F68-L81 HydrophobicContact CB-CD2 3.93Å; F68-L81 HydrophobicContact CB-CG 4.12Å; L81-F105 HydrophobicContact CD1-CD1 4.21Å; L81-F105 HydrophobicContact CD1-CE1 4.43Å; L81-L112 HydrophobicContact CD1-CD1 3.98Å; L81-L112 HydrophobicContact CD1-CD2 3.53Å; L81-L112 HydrophobicContact CD1-CG 4.42Å; L81-Y125 HydrophobicContact CD1-CD1 3.9Å; L81-Y125 HydrophobicContact CD1-CE1 3.77Å |
| 82 | T | 61 | Low | 55.3 | Low | 46 Ų | 46 | 89.7 Ų | 89.7 | 28% | 0.282 | 48% | 0.478 | S | S | . | . | trans | -118.6 | 138.8 | 179.7 | 64.1 | 0 | 0 | 0 | 0 | 110.8 | R102 | T82-R102 PolarHBondContact OG1-NE 2.72Å; T82-R102 PolarHBondContact OG1-NH2 3.47Å | ||
| 83 | D | 55.6 | Low | 53.7 | Low | 17 Ų | 17 | 90.9 Ų | 90.9 | 9% | 0.091 | 50% | 0.496 | C | S | . | . | trans | -75.7 | 153.2 | 175.6 | -175.5 | 15.2 | 0 | 0 | 0 | 112.7 | H85 | D83-H85 IonicContact OD1-CD2 2.84Å; D83-H85 PolarHBondContact OD1-N 2.99Å | ||
| 84 | N | 49.5 | Very low | 52.3 | Low | 92 Ų | 92 | 94.1 Ų | 94.1 | 49% | 0.492 | 50% | 0.5 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -75.2 | -23.3 | 173.6 | -68.7 | -35.5 | 0 | 0 | 0 | 113.1 | G86 R102 S103 | N84-G86 PolarHBondContact O-N 2.58Å; N84-R102 VanDerWaalsContact CG-O 3.27Å; N84-R102 PolarHBondContact ND2-O 2.96Å; N84-R102 PolarHBondContact OD1-O 2.76Å; N84-S103 WeakPolarHBondContact ND2-CA 3.45Å |
| 85 | H | 44.5 | Very low | 51.2 | Low | 162 Ų | 162 | 95 Ų | 95 | 75% | 0.75 | 50% | 0.504 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -83.2 | 12.9 | -178.5 | -71.3 | -73.9 | 0 | 0 | 0 | 115 | D83 N87 | D83-H85 IonicContact OD1-CD2 2.84Å; D83-H85 PolarHBondContact OD1-N 2.99Å; H85-N87 PolarHBondContact O-N 2.86Å |
| 86 | G | 42.3 | Very low | 50 | Low | 53 Ų | 53 | 94.9 Ų | 94.9 | 55% | 0.546 | 52% | 0.516 | S | S | . | . | trans | 73.8 | 22.7 | 167.1 | 0 | 0 | 0 | 0 | 0 | 115.1 | N84 K88 | N84-G86 PolarHBondContact O-N 2.58Å; G86-K88 PolarHBondContact O-N 3.44Å | ||
| 87 | N | 39.2 | Very low | 49.1 | Very low | 127 Ų | 127 | 92.7 Ų | 92.7 | 68% | 0.679 | 50% | 0.499 | S | S | * | . | trans | -66.5 | 73.9 | 154.5 | -75 | -29 | 0 | 0 | 0 | 108.4 | H85 | H85-N87 PolarHBondContact O-N 2.86Š| ||
| 88 | K | 43.2 | Very low | 48 | Very low | 190 Ų | 190 | 91.3 Ų | 91.3 | 83% | 0.826 | 50% | 0.499 | S | S | * | . | trans | -76.1 | 121.3 | 169.4 | -89.8 | -177 | 172.2 | -179.4 | 0 | 107.2 | G86 | G86-K88 PolarHBondContact O-N 3.44Š| ||
| 89 | L | 39.7 | Very low | 46.4 | Very low | 110 Ų | 110 | 95.4 Ų | 95.4 | 58% | 0.576 | 53% | 0.529 | S | S | * | . | trans | -136.8 | 118 | 151.9 | -84.3 | 174.5 | 0 | 0 | 0 | 112.5 | ||||
| 90 | L | 40.9 | Very low | 45.1 | Very low | 140 Ų | 140 | 97.8 Ų | 97.8 | 73% | 0.733 | 55% | 0.548 | S | S | * | . | S | Bend | trans | 64.6 | 105.8 | 152.1 | -67.3 | 156.8 | 0 | 0 | 0 | 118.4 | ||
| 91 | D | 36 | Very low | 43.9 | Very low | 131 Ų | 131 | 98 Ų | 98 | 70% | 0.701 | 54% | 0.544 | S | S | * | . | trans | 53.6 | 84.2 | 160.3 | -151 | -4.1 | 0 | 0 | 0 | 117.8 | S93 | D91-S93 PolarHBondContact O-N 2.63Å; D91-S93 WeakPolarHBondContact OD1-CB 3.48Å; D91-S93 PolarHBondContact OD1-N 2.84Å; D91-S93 PolarHBondContact OD1-OG 3.18Å | ||
| 92 | T | 42.3 | Very low | 42.9 | Very low | 88 Ų | 88 | 102.9 Ų | 102.9 | 54% | 0.54 | 56% | 0.562 | S | S | . | * | trans | -81.7 | 12.7 | 173.4 | 46.1 | 0 | 0 | 0 | 0 | 113.9 | Q94 | T92-Q94 PolarHBondContact O-N 3.37Å; T92-Q94 VanDerWaalsContact O-N 3.13Å | ||
| 93 | S | 35.8 | Very low | 42.7 | Very low | 89 Ų | 89 | 104.9 Ų | 104.9 | 62% | 0.622 | 58% | 0.577 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -68.3 | -9.9 | -173.9 | 58 | 0 | 0 | 0 | 0 | 115.2 | D91 | D91-S93 PolarHBondContact O-N 2.63Å; D91-S93 WeakPolarHBondContact OD1-CB 3.48Å; D91-S93 PolarHBondContact OD1-N 2.84Å; D91-S93 PolarHBondContact OD1-OG 3.18Å |
| 94 | Q | 37.4 | Very low | 43.3 | Very low | 164 Ų | 164 | 107.5 Ų | 107.5 | 77% | 0.766 | 59% | 0.586 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -122.6 | 13.3 | -174.4 | -63.2 | -167.6 | -3 | 0 | 0 | 116.2 | T92 | T92-Q94 PolarHBondContact O-N 3.37Å; T92-Q94 VanDerWaalsContact O-N 3.13Å |
| 95 | V | 40.3 | Very low | 44.4 | Very low | 43 Ų | 43 | 103.6 Ų | 103.6 | 26% | 0.261 | 57% | 0.565 | S | S | . | * | S | Bend | trans | -124.5 | 115.7 | -178.3 | -172.2 | 0 | 0 | 0 | 0 | 110.9 | H97 | V95-H97 PolarHBondContact O-N 2.96Å; V95-H97 VanDerWaalsContact O-N 3.16Å |
| 96 | P | 34.6 | Very low | 45.8 | Very low | 115 Ų | 115 | 96.8 Ų | 96.8 | 75% | 0.747 | 54% | 0.535 | S | S | * | . | trans | -61.9 | 117.6 | -179.1 | -18.7 | 30.1 | 0 | 0 | 0 | 111.1 | S98 | P96-S98 PolarHBondContact O-N 3.21Š| ||
| 97 | H | 39.2 | Very low | 47.3 | Very low | 124 Ų | 124 | 95.9 Ų | 95.9 | 57% | 0.574 | 52% | 0.518 | S | S | * | . | trans | -69.6 | 113.2 | 179.6 | -78 | -70.9 | 0 | 0 | 0 | 111.3 | V95 | V95-H97 PolarHBondContact O-N 2.96Å; V95-H97 VanDerWaalsContact O-N 3.16Å | ||
| 98 | S | 37.6 | Very low | 48.8 | Very low | 55 Ų | 55 | 97.5 Ų | 97.5 | 39% | 0.385 | 51% | 0.514 | S | S | . | . | trans | -90.8 | 117.8 | 164.4 | 175.5 | 0 | 0 | 0 | 0 | 108.9 | P96 D100 | P96-S98 PolarHBondContact O-N 3.21Å; S98-D100 VanDerWaalsContact C-N 3.35Å; S98-D100 PolarHBondContact O-N 3.44Å | ||
| 99 | S | 37 | Very low | 50.2 | Low | 119 Ų | 119 | 95.1 Ų | 95.1 | 83% | 0.832 | 51% | 0.508 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -77.9 | -4 | -165 | 44.5 | 0 | 0 | 0 | 0 | 116.1 | ||
| 100 | D | 45.6 | Very low | 52 | Low | 135 Ų | 135 | 93.4 Ų | 93.4 | 72% | 0.722 | 50% | 0.496 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -105.8 | -17.4 | -171.6 | -154.3 | 26 | 0 | 0 | 0 | 114.1 | S98 | S98-D100 VanDerWaalsContact C-N 3.35Å; S98-D100 PolarHBondContact O-N 3.44Å |
| 101 | L | 47.9 | Very low | 54.1 | Low | 42 Ų | 42 | 87.4 Ų | 87.4 | 22% | 0.22 | 47% | 0.466 | C | S | . | . | S | Bend | trans | -85 | -11.6 | -177.4 | -67.2 | 169.2 | 0 | 0 | 0 | 113.3 | S103 F105 | L101-S103 PolarHBondContact O-N 3.04Å; L101-F105 HydrophobicContact CB-CE2 4.23Å; L101-F105 HydrophobicContact CD2-CE2 4.16Å; L101-F105 HydrophobicContact CD2-CZ 4.48Å; L101-F105 WeakPolarHBondContact O-CD2 3.48Å; L101-F105 VanDerWaalsContact O-CE2 3.26Å; L101-F105 WeakPolarHBondContact O-CE2 3.34Å |
| 102 | R | 52.2 | Low | 56.5 | Low | 119 Ų | 119 | 81.2 Ų | 81.2 | 45% | 0.449 | 43% | 0.432 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -77.4 | -24 | -164.3 | -137.1 | 170.6 | -178 | -172.5 | -1.6 | 114.7 | T82 N84 | T82-R102 PolarHBondContact OG1-NE 2.72Å; T82-R102 PolarHBondContact OG1-NH2 3.47Å; N84-R102 VanDerWaalsContact CG-O 3.27Å; N84-R102 PolarHBondContact ND2-O 2.96Å; N84-R102 PolarHBondContact OD1-O 2.76Å |
| 103 | S | 55.2 | Low | 58.4 | Low | 88 Ų | 88 | 78.4 Ų | 78.4 | 62% | 0.615 | 41% | 0.414 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -81.6 | -18.2 | -172.1 | 61 | 0 | 0 | 0 | 0 | 115.4 | N84 L101 | N84-S103 WeakPolarHBondContact ND2-CA 3.45Å; L101-S103 PolarHBondContact O-N 3.04Å |
| 104 | R | 68.1 | Low | 60.7 | Low | 72 Ų | 72 | 74.1 Ų | 74.1 | 27% | 0.272 | 38% | 0.384 | S | S | . | . | S | Bend | trans | -108.6 | 1.6 | -172.5 | -64.2 | -169.2 | -63.9 | 122 | 6.6 | 115.2 | F115 I116 D121 | R104-F115 PolarHBondContact NH1-O 2.84Å; R104-F115 WeakPolarHBondContact O-CD2 3.21Å; R104-F115 PolarHBondContact O-N 3.35Å; R104-I116 PolarHBondContact NH1-O 2.92Å; R104-D121 IonicContact CZ-OD1 3.88Å; R104-D121 IonicContact CZ-OD2 3.24Å; R104-D121 IonicContact NH1-OD1 3.64Å; R104-D121 IonicContact NH1-OD2 3.77Å; R104-D121 PolarHBondContact NH1-OD2 2.95Å; R104-D121 IonicContact NH2-OD1 2.85Å; R104-D121 PolarHBondContact NH2-OD1 3.37Å; R104-D121 IonicContact NH2-OD2 3.79Å; R104-D121 PolarHBondContact NH2-OD2 2.67Å |
| 105 | F | 74.1 | Confident | 62.7 | Low | 9 Ų | 9 | 70.3 Ų | 70.3 | 4% | 0.039 | 37% | 0.365 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.3 | 141 | -179 | -61 | -104.6 | 0 | 0 | 0 | 110.4 | L81 L101 L112 L113 I114 Y125 | L81-F105 HydrophobicContact CD1-CD1 4.21Å; L81-F105 HydrophobicContact CD1-CE1 4.43Å; L101-F105 HydrophobicContact CB-CE2 4.23Å; L101-F105 HydrophobicContact CD2-CE2 4.16Å; L101-F105 HydrophobicContact CD2-CZ 4.48Å; L101-F105 WeakPolarHBondContact O-CD2 3.48Å; L101-F105 VanDerWaalsContact O-CE2 3.26Å; L101-F105 WeakPolarHBondContact O-CE2 3.34Å; F105-L112 HydrophobicContact CB-CD1 4.36Å; F105-L112 HydrophobicContact CD1-CD1 4.13Å; F105-L112 HydrophobicContact CD1-CD2 4.42Å; F105-L112 HydrophobicContact CD1-CG 4.46Å; F105-L113 CarbonylContact C-O 3.58Å; F105-L113 VanDerWaalsContact CA-O 3.25Å; F105-L113 WeakPolarHBondContact CA-O 3.36Å; F105-I114 HydrophobicContact CD1-CB 4.23Å; F105-I114 HydrophobicContact CD1-CD1 4.37Å; F105-I114 HydrophobicContact CD1-CG1 3.7Å; F105-I114 HydrophobicContact CD1-CG2 4.08Å; F105-I114 HydrophobicContact CE1-CB 4.1Å; F105-I114 HydrophobicContact CE1-CD1 3.84Å; F105-I114 HydrophobicContact CE1-CG1 3.61Å; F105-I114 HydrophobicContact CE1-CG2 3.59Å; F105-I114 HydrophobicContact CZ-CG2 3.9Å; F105-Y125 HydrophobicContact CE1-CE1 4.08Å |
| 106 | S | 73.5 | Confident | 64.5 | Low | 20 Ų | 20 | 71.8 Ų | 71.8 | 14% | 0.14 | 37% | 0.371 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -139.1 | 143.3 | 172.9 | -179.6 | 0 | 0 | 0 | 0 | 109.5 | L113 | S106-L113 PolarHBondContact N-O 3.39Å; S106-L113 WeakPolarHBondContact O-CA 3.49Å; S106-L113 WeakPolarHBondContact O-CB 3.5Å; S106-L113 PolarHBondContact O-N 3.29Å |
| 107 | I | 73.1 | Confident | 66.9 | Low | 33 Ų | 33 | 66.3 Ų | 66.3 | 17% | 0.169 | 34% | 0.335 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.7 | 118.6 | 178.3 | -60 | 170 | 0 | 0 | 0 | 107.6 | W66 S111 L112 | W66-I107 HydrophobicContact CB-CD1 4.36Å; I107-S111 CarbonylContact C-O 3.59Å; I107-S111 WeakPolarHBondContact CA-O 3.45Å; I107-L112 HydrophobicContact CG1-CD1 3.88Å |
| 108 | R | 71.9 | Confident | 69.1 | Low | 162 Ų | 162 | 61.3 Ų | 61.3 | 61% | 0.611 | 32% | 0.317 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -135.6 | 124.6 | -175.2 | 179.5 | 169.1 | -175.6 | -175.2 | 5 | 110 | F110 S111 L113 | R108-F110 PolarHBondContact O-N 3.13Å; R108-S111 PolarHBondContact N-O 3.39Å; R108-S111 WeakPolarHBondContact O-CB 3.37Å; R108-S111 PolarHBondContact O-N 3.15Å; R108-L113 HydrophobicContact CB-CD1 4.12Å |
| 109 | M | 71.6 | Confident | 71.5 | Confident | 140 Ų | 140 | 60.9 Ų | 60.9 | 69% | 0.69 | 31% | 0.313 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 46.9 | 47.7 | -177.2 | -67.5 | 86.1 | -172.6 | 0 | 0 | 112.3 | S111 | M109-S111 PolarHBondContact O-N 2.88Š|
| 110 | F | 78.8 | Confident | 73.7 | Confident | 74 Ų | 74 | 62.1 Ų | 62.1 | 33% | 0.325 | 31% | 0.306 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 66.7 | -4.5 | -177.8 | -40.3 | -70.3 | 0 | 0 | 0 | 116.3 | F28 C54 V64 W66 R108 | F28-F110 AromaticContact CE2-CD2 3.47Å; F28-F110 HydrophobicContact CE2-CD2 3.47Å; F28-F110 VanDerWaalsContact CE2-CD2 3.47Å; F28-F110 AromaticContact CE2-CE2 3.77Å; F28-F110 HydrophobicContact CE2-CE2 3.77Å; F28-F110 HydrophobicContact CE2-CG 4.21Å; F28-F110 HydrophobicContact CZ-CB 4.1Å; F28-F110 AromaticContact CZ-CD2 3.7Å; F28-F110 HydrophobicContact CZ-CD2 3.7Å; F28-F110 HydrophobicContact CZ-CE2 4.44Å; F28-F110 HydrophobicContact CZ-CG 4.09Å; C54-F110 HydrophobicContact CB-CB 4.49Å; V64-F110 HydrophobicContact CB-CB 4.15Å; V64-F110 HydrophobicContact CB-CD1 3.9Å; V64-F110 HydrophobicContact CB-CG 4.46Å; V64-F110 HydrophobicContact CG2-CB 3.97Å; V64-F110 HydrophobicContact CG2-CD1 3.65Å; V64-F110 HydrophobicContact CG2-CE1 4.5Å; V64-F110 HydrophobicContact CG2-CG 4.06Å; W66-F110 PolarHBondContact NE1-O 3.47Å; R108-F110 PolarHBondContact O-N 3.13Å |
| 111 | S | 83.4 | Confident | 75.6 | Confident | 14 Ų | 14 | 55.9 Ų | 55.9 | 10% | 0.098 | 27% | 0.272 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.8 | 140.6 | 171.4 | -58.5 | 0 | 0 | 0 | 0 | 111.4 | L52 P53 I107 R108 M109 | L52-S111 CarbonylContact O-C 3.39Å; L52-S111 VanDerWaalsContact O-CA 3.3Å; L52-S111 WeakPolarHBondContact O-CA 3.01Å; P53-S111 WeakPolarHBondContact CA-OG 3.31Å; I107-S111 CarbonylContact C-O 3.59Å; I107-S111 WeakPolarHBondContact CA-O 3.45Å; R108-S111 PolarHBondContact N-O 3.39Å; R108-S111 WeakPolarHBondContact O-CB 3.37Å; R108-S111 PolarHBondContact O-N 3.15Å; M109-S111 PolarHBondContact O-N 2.88Å |
| 112 | L | 86.3 | Confident | 77.5 | Confident | 0 Ų | 0 | 54.8 Ų | 54.8 | 0% | 0 | 27% | 0.268 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.8 | 127.6 | 168.8 | -179.3 | 69.8 | 0 | 0 | 0 | 109.9 | E51 L52 W66 L81 F105 I107 I114 Y125 | E51-L112 CarbonylContact C-O 3.59Å; E51-L112 WeakPolarHBondContact CA-O 3.48Å; L52-L112 HydrophobicContact CB-CB 4.33Å; L52-L112 HydrophobicContact CD1-CD2 4.44Å; L52-L112 PolarHBondContact N-O 2.78Å; L52-L112 PolarHBondContact O-N 2.94Å; W66-L112 HydrophobicContact CB-CD1 4.39Å; W66-L112 HydrophobicContact CB-CD2 4.5Å; W66-L112 HydrophobicContact CD2-CB 3.67Å; W66-L112 HydrophobicContact CD2-CD2 4.16Å; W66-L112 HydrophobicContact CD2-CG 4.43Å; W66-L112 HydrophobicContact CE3-CB 4.21Å; W66-L112 HydrophobicContact CE3-CD2 4.08Å; W66-L112 HydrophobicContact CG-CB 3.91Å; W66-L112 HydrophobicContact CG-CD1 4.32Å; W66-L112 HydrophobicContact CG-CD2 4.35Å; W66-L112 HydrophobicContact CG-CG 4.44Å; W66-L112 HydrophobicContact CZ2-CB 4.03Å; L81-L112 HydrophobicContact CD1-CD1 3.98Å; L81-L112 HydrophobicContact CD1-CD2 3.53Å; L81-L112 HydrophobicContact CD1-CG 4.42Å; F105-L112 HydrophobicContact CB-CD1 4.36Å; F105-L112 HydrophobicContact CD1-CD1 4.13Å; F105-L112 HydrophobicContact CD1-CD2 4.42Å; F105-L112 HydrophobicContact CD1-CG 4.46Å; I107-L112 HydrophobicContact CG1-CD1 3.88Å; L112-I114 HydrophobicContact CD2-CD1 4.33Å; L112-I114 HydrophobicContact CD2-CG1 4.26Å; L112-I114 HydrophobicContact CG-CG1 4.25Å; L112-Y125 HydrophobicContact CD2-CD1 3.36Å; L112-Y125 HydrophobicContact CD2-CE1 3.69Å; L112-Y125 HydrophobicContact CD2-CG 4.38Å |
| 113 | L | 83.6 | Confident | 79.3 | Confident | 29 Ų | 29 | 49.4 Ų | 49.4 | 15% | 0.152 | 25% | 0.25 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.6 | 129.9 | 172 | -61.8 | 170.5 | 0 | 0 | 0 | 109 | V50 E51 F105 S106 R108 F115 | V50-L113 CarbonylContact O-C 3.58Å; V50-L113 WeakPolarHBondContact O-CA 3.2Å; E51-L113 HydrophobicContact CB-CD2 3.72Å; E51-L113 HydrophobicContact CG-CD2 3.7Å; F105-L113 CarbonylContact C-O 3.58Å; F105-L113 VanDerWaalsContact CA-O 3.25Å; F105-L113 WeakPolarHBondContact CA-O 3.36Å; S106-L113 PolarHBondContact N-O 3.39Å; S106-L113 WeakPolarHBondContact O-CA 3.49Å; S106-L113 WeakPolarHBondContact O-CB 3.5Å; S106-L113 PolarHBondContact O-N 3.29Å; R108-L113 HydrophobicContact CB-CD1 4.12Å; L113-F115 HydrophobicContact CB-CE2 4.48Å; L113-F115 HydrophobicContact CB-CZ 4.25Å; L113-F115 HydrophobicContact CD1-CZ 4.38Å |
| 114 | I | 84.4 | Confident | 80.9 | Confident | 0 Ų | 0 | 45.2 Ų | 45.2 | 0% | 0 | 22% | 0.221 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118 | 110.1 | 175.7 | -45.4 | 178 | 0 | 0 | 0 | 107.2 | T49 V50 L52 F105 L112 A117 Y125 L140 | T49-I114 CarbonylContact C-O 3.56Å; T49-I114 VanDerWaalsContact CA-O 3.24Å; T49-I114 WeakPolarHBondContact CA-O 3.43Å; V50-I114 HydrophobicContact CB-CB 4.2Å; V50-I114 HydrophobicContact CB-CD1 4.5Å; V50-I114 HydrophobicContact CB-CG1 4.5Å; V50-I114 PolarHBondContact N-O 3.05Å; V50-I114 PolarHBondContact O-N 2.81Å; L52-I114 HydrophobicContact CD1-CD1 4.41Å; F105-I114 HydrophobicContact CD1-CB 4.23Å; F105-I114 HydrophobicContact CD1-CD1 4.37Å; F105-I114 HydrophobicContact CD1-CG1 3.7Å; F105-I114 HydrophobicContact CD1-CG2 4.08Å; F105-I114 HydrophobicContact CE1-CB 4.1Å; F105-I114 HydrophobicContact CE1-CD1 3.84Å; F105-I114 HydrophobicContact CE1-CG1 3.61Å; F105-I114 HydrophobicContact CE1-CG2 3.59Å; F105-I114 HydrophobicContact CZ-CG2 3.9Å; L112-I114 HydrophobicContact CD2-CD1 4.33Å; L112-I114 HydrophobicContact CD2-CG1 4.26Å; L112-I114 HydrophobicContact CG-CG1 4.25Å; I114-A117 HydrophobicContact CG2-CB 4.08Å; I114-Y125 HydrophobicContact CD1-CE1 3.81Å; I114-Y125 HydrophobicContact CD1-CE2 4.34Å; I114-L140 HydrophobicContact CD1-CD2 3.69Å |
| 115 | F | 77.9 | Confident | 81.9 | Confident | 84 Ų | 84 | 41.9 Ų | 41.9 | 37% | 0.368 | 21% | 0.208 | S | C | . | . | S | Bend | trans | -83.6 | 132 | -178.9 | -61 | -72 | 0 | 0 | 0 | 111 | T49 R104 L113 | T49-F115 HydrophobicContact CG2-CD1 3.66Å; T49-F115 HydrophobicContact CG2-CE1 3.97Å; R104-F115 PolarHBondContact NH1-O 2.84Å; R104-F115 WeakPolarHBondContact O-CD2 3.21Å; R104-F115 PolarHBondContact O-N 3.35Å; L113-F115 HydrophobicContact CB-CE2 4.48Å; L113-F115 HydrophobicContact CB-CZ 4.25Å; L113-F115 HydrophobicContact CD1-CZ 4.38Å |
| 116 | I | 79.4 | Confident | 82.6 | Confident | 73 Ų | 73 | 41.5 Ų | 41.5 | 37% | 0.374 | 21% | 0.206 | S | C | . | . | S | Bend | trans | 50.7 | 62.4 | 177.9 | -52.5 | 164.7 | 0 | 0 | 0 | 109.6 | R104 G118 | R104-I116 PolarHBondContact NH1-O 2.92Å; I116-G118 PolarHBondContact O-N 3.15Å |
| 117 | A | 84.5 | Confident | 83.3 | Confident | 1 Ų | 1 | 40.5 Ų | 40.5 | 1% | 0.008 | 20% | 0.2 | C | C | . | . | trans | -66.7 | 131.2 | -175.3 | 0 | 0 | 0 | 0 | 0 | 111.1 | A46 G47 V48 V50 I114 D121 I142 | A46-A117 CarbonylContact C-O 3.51Å; A46-A117 WeakPolarHBondContact CA-O 3.39Å; G47-A117 PolarHBondContact N-O 3.01Å; V48-A117 WeakPolarHBondContact O-CB 3.42Å; V48-A117 PolarHBondContact O-N 3.48Å; V50-A117 HydrophobicContact CG2-CB 3.8Å; I114-A117 HydrophobicContact CG2-CB 4.08Å; A117-D121 WeakPolarHBondContact CA-OD2 3.43Å; A117-I142 HydrophobicContact CB-CD1 3.98Å; A117-I142 HydrophobicContact CB-CG1 4.25Å; A117-I142 HydrophobicContact CB-CG2 4.46Å | ||
| 118 | G | 85.9 | Confident | 84 | Confident | 19 Ų | 19 | 39 Ų | 39 | 20% | 0.196 | 19% | 0.192 | C | C | . | . | trans | -107.7 | 170.6 | 175.7 | 0 | 0 | 0 | 0 | 0 | 112.5 | I116 E120 D121 I142 | I116-G118 PolarHBondContact O-N 3.15Å; G118-E120 PolarHBondContact O-N 2.04Å; G118-D121 PolarHBondContact N-OD2 3.45Å; G118-D121 WeakPolarHBondContact O-CB 3.41Å; G118-D121 PolarHBondContact O-N 2.78Å; G118-I142 VanDerWaalsContact C-CG2 3.48Å; G118-I142 WeakPolarHBondContact O-CB 3.44Å; G118-I142 WeakPolarHBondContact O-CG2 3.21Å | ||
| 119 | P | 86.2 | Confident | 84.5 | Confident | 45 Ų | 45 | 31.5 Ų | 31.5 | 29% | 0.292 | 16% | 0.164 | S | C | . | . | G | 310 helix | trans | -56.5 | -31.8 | 177.3 | -26.2 | 37 | 0 | 0 | 0 | 113.3 | A46 D121 S122 E144 | A46-P119 HydrophobicContact CB-CG 4.48Å; P119-D121 PolarHBondContact O-N 3.47Å; P119-S122 WeakPolarHBondContact O-CB 3.31Å; P119-S122 PolarHBondContact O-N 2.79Å; P119-S122 PolarHBondContact O-OG 2.74Å; P119-E144 HydrophobicContact CG-CB 3.78Å; P119-E144 HydrophobicContact CG-CG 4.29Å |
| 120 | E | 83.9 | Confident | 84.7 | Confident | 145 Ų | 145 | 26.8 Ų | 26.8 | 68% | 0.678 | 15% | 0.148 | S | C | * | . | G | 310 helix | trans | -64.6 | -24.1 | 176.2 | -60.8 | -50.5 | 137.7 | 0 | 0 | 113.7 | K70 G118 S122 | K70-E120 PolarHBondContact NZ-O 2.92Å; G118-E120 PolarHBondContact O-N 2.04Å; E120-S122 PolarHBondContact O-N 3.33Å |
| 121 | D | 84.9 | Confident | 84.6 | Confident | 4 Ų | 4 | 31 Ų | 31 | 2% | 0.021 | 17% | 0.168 | C | C | . | . | G | 310 helix | trans | -79.2 | -0.8 | 175 | -55 | -45.5 | 0 | 0 | 0 | 111.8 | R104 A117 G118 P119 Y125 | R104-D121 IonicContact CZ-OD1 3.88Å; R104-D121 IonicContact CZ-OD2 3.24Å; R104-D121 IonicContact NH1-OD1 3.64Å; R104-D121 IonicContact NH1-OD2 3.77Å; R104-D121 PolarHBondContact NH1-OD2 2.95Å; R104-D121 IonicContact NH2-OD1 2.85Å; R104-D121 PolarHBondContact NH2-OD1 3.37Å; R104-D121 IonicContact NH2-OD2 3.79Å; R104-D121 PolarHBondContact NH2-OD2 2.67Å; A117-D121 WeakPolarHBondContact CA-OD2 3.43Å; G118-D121 PolarHBondContact N-OD2 3.45Å; G118-D121 WeakPolarHBondContact O-CB 3.41Å; G118-D121 PolarHBondContact O-N 2.78Å; P119-D121 PolarHBondContact O-N 3.47Å; D121-Y125 VanDerWaalsContact O-CE2 3.29Å; D121-Y125 WeakPolarHBondContact O-CE2 3.43Å; D121-Y125 PolarHBondContact O-OH 3.05Å |
| 122 | S | 89.1 | Confident | 84.3 | Confident | 19 Ų | 19 | 35.9 Ų | 35.9 | 13% | 0.133 | 19% | 0.188 | C | C | . | . | trans | -70.3 | 136.5 | 172.8 | -49.6 | 0 | 0 | 0 | 0 | 111 | K70 P119 E120 L140 I142 | K70-S122 WeakPolarHBondContact CD-O 3.14Å; K70-S122 PolarHBondContact NZ-O 3.12Å; P119-S122 WeakPolarHBondContact O-CB 3.31Å; P119-S122 PolarHBondContact O-N 2.79Å; P119-S122 PolarHBondContact O-OG 2.74Å; E120-S122 PolarHBondContact O-N 3.33Å; S122-L140 CarbonylContact C-O 3.57Å; S122-L140 VanDerWaalsContact CA-O 3.24Å; S122-L140 WeakPolarHBondContact CA-O 3.3Å; S122-L140 WeakPolarHBondContact CB-O 3.45Å; S122-I142 WeakPolarHBondContact OG-CB 3.41Å; S122-I142 PolarHBondContact OG-N 3.48Å | ||
| 123 | G | 88.9 | Confident | 84.1 | Confident | 7 Ų | 7 | 40 Ų | 40 | 7% | 0.072 | 21% | 0.21 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 158.4 | -165.6 | -177.7 | 0 | 0 | 0 | 0 | 0 | 112.6 | L140 | G123-L140 PolarHBondContact N-O 3.17Å; G123-L140 WeakPolarHBondContact O-CB 3.37Å; G123-L140 PolarHBondContact O-N 3.49Å |
| 124 | L | 89.1 | Confident | 84.3 | Confident | 0 Ų | 0 | 41.7 Ų | 41.7 | 0% | 0 | 22% | 0.216 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -95.2 | 124.8 | -178.4 | -52.7 | 179.5 | 0 | 0 | 0 | 110.8 | F39 F68 R69 W72 Y138 D139 Y206 | F39-L124 HydrophobicContact CD1-CB 4.45Å; F39-L124 HydrophobicContact CD1-CD2 3.99Å; F39-L124 HydrophobicContact CE1-CB 3.97Å; F39-L124 HydrophobicContact CE1-CD1 4.21Å; F39-L124 HydrophobicContact CE1-CD2 4.2Å; F39-L124 HydrophobicContact CE1-CG 4.37Å; F39-L124 HydrophobicContact CG-CD2 4.48Å; F39-L124 HydrophobicContact CZ-CD1 4.26Å; F68-L124 CarbonylContact C-O 3.57Å; F68-L124 WeakPolarHBondContact CA-O 3.18Å; R69-L124 HydrophobicContact CB-CB 4.27Å; R69-L124 PolarHBondContact N-O 3.4Å; R69-L124 PolarHBondContact O-N 3.39Å; W72-L124 HydrophobicContact CB-CD1 4.08Å; W72-L124 HydrophobicContact CE3-CD1 3.74Å; L124-Y138 CarbonylContact C-O 3.52Å; L124-Y138 WeakPolarHBondContact CA-O 3.47Å; L124-D139 HydrophobicContact CD2-CB 3.93Å; L124-Y206 HydrophobicContact CD2-CE1 3.79Å |
| 125 | Y | 90 | Very high | 84.4 | Confident | 2 Ų | 2 | 42.5 Ų | 42.5 | 1% | 0.008 | 22% | 0.219 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.2 | 122.7 | 176.8 | -71.6 | -95.9 | 0 | 0 | 0 | 109.7 | L52 F67 F68 L81 F105 L112 I114 D121 G137 Y138 L140 | L52-Y125 HydrophobicContact CD1-CD1 4.24Å; L52-Y125 HydrophobicContact CD1-CD2 4.12Å; L52-Y125 HydrophobicContact CD1-CG 3.78Å; F67-Y125 CarbonylContact O-C 3.6Å; F67-Y125 WeakPolarHBondContact O-CA 3.47Å; F68-Y125 HydrophobicContact CB-CE1 4.36Å; F68-Y125 HydrophobicContact CD2-CD1 4.14Å; F68-Y125 HydrophobicContact CD2-CD2 4.17Å; F68-Y125 AromaticContact CD2-CE1 3.65Å; F68-Y125 HydrophobicContact CD2-CE1 3.65Å; F68-Y125 AromaticContact CD2-CE2 3.65Å; F68-Y125 HydrophobicContact CD2-CE2 3.65Å; F68-Y125 HydrophobicContact CD2-CG 4.39Å; F68-Y125 AromaticContact CD2-CZ 3.39Å; F68-Y125 HydrophobicContact CE2-CE1 4.39Å; F68-Y125 AromaticContact CE2-CE2 3.74Å; F68-Y125 HydrophobicContact CE2-CE2 3.74Å; F68-Y125 AromaticContact CE2-CZ 3.67Å; F68-Y125 HydrophobicContact CG-CE1 4.34Å; L81-Y125 HydrophobicContact CD1-CD1 3.9Å; L81-Y125 HydrophobicContact CD1-CE1 3.77Å; F105-Y125 HydrophobicContact CE1-CE1 4.08Å; L112-Y125 HydrophobicContact CD2-CD1 3.36Å; L112-Y125 HydrophobicContact CD2-CE1 3.69Å; L112-Y125 HydrophobicContact CD2-CG 4.38Å; I114-Y125 HydrophobicContact CD1-CE1 3.81Å; I114-Y125 HydrophobicContact CD1-CE2 4.34Å; D121-Y125 VanDerWaalsContact O-CE2 3.29Å; D121-Y125 WeakPolarHBondContact O-CE2 3.43Å; D121-Y125 PolarHBondContact O-OH 3.05Å; Y125-G137 CarbonylContact O-C 3.57Å; Y125-G137 VanDerWaalsContact O-CA 3.32Å; Y125-G137 WeakPolarHBondContact O-CA 3.41Å; Y125-Y138 PolarHBondContact N-O 2.91Å; Y125-Y138 PolarHBondContact O-N 2.98Å; Y125-L140 HydrophobicContact CD2-CB 3.71Å; Y125-L140 HydrophobicContact CD2-CD2 3.9Å; Y125-L140 HydrophobicContact CD2-CG 4.46Å; Y125-L140 HydrophobicContact CE2-CB 3.85Å; Y125-L140 HydrophobicContact CE2-CD2 3.41Å; Y125-L140 VanDerWaalsContact CE2-CD2 3.41Å; Y125-L140 HydrophobicContact CE2-CG 4.24Å |
| 126 | I | 88.9 | Confident | 84.8 | Confident | 0 Ų | 0 | 39.8 Ų | 39.8 | 0% | 0 | 21% | 0.207 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.6 | 127.3 | -171.8 | -55.7 | 163.8 | 0 | 0 | 0 | 108.6 | L37 F39 W66 F67 F134 Y136 | L37-I126 HydrophobicContact CD1-CG2 4.17Å; L37-I126 HydrophobicContact CD2-CD1 4.23Å; L37-I126 HydrophobicContact CD2-CG2 4.21Å; F39-I126 HydrophobicContact CE1-CD1 4.11Å; F39-I126 HydrophobicContact CE1-CG1 3.71Å; F39-I126 HydrophobicContact CZ-CD1 4.07Å; F39-I126 HydrophobicContact CZ-CG1 4.12Å; W66-I126 CarbonylContact C-O 3.53Å; W66-I126 WeakPolarHBondContact CA-O 3.48Å; F67-I126 HydrophobicContact CB-CB 4.35Å; F67-I126 PolarHBondContact N-O 2.96Å; F67-I126 PolarHBondContact O-N 2.74Å; I126-F134 HydrophobicContact CB-CD1 4.46Å; I126-F134 HydrophobicContact CG2-CB 3.65Å; I126-F134 HydrophobicContact CG2-CD1 3.44Å; I126-F134 VanDerWaalsContact CG2-CD1 3.44Å; I126-F134 HydrophobicContact CG2-CD2 4.44Å; I126-F134 HydrophobicContact CG2-CE1 4.2Å; I126-F134 HydrophobicContact CG2-CG 3.59Å; I126-Y136 WeakPolarHBondContact CA-O 3.38Å |
| 127 | C | 88.3 | Confident | 85.3 | Confident | 0 Ų | 0 | 36.3 Ų | 36.3 | 0% | 0 | 19% | 0.189 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -95.2 | 136.9 | 168.6 | 73.2 | 0 | 0 | 0 | 0 | 110.5 | C54 V64 V65 W66 F135 Y136 | C54-C127 HydrophobicContact CB-CB 3.7Å; C54-C127 WeakPolarHBondContact CB-SG 3.43Å; C54-C127 WeakPolarHBondContact SG-CB 3.27Å; C54-C127 CovalentContact SG-SG 2.06Å; C54-C127 PolarHBondContact SG-SG 2.85Å; V64-C127 HydrophobicContact CG1-CB 3.59Å; V65-C127 WeakPolarHBondContact O-CA 3.31Å; W66-C127 HydrophobicContact CD2-CB 4.03Å; W66-C127 HydrophobicContact CE3-CB 4.12Å; W66-C127 HydrophobicContact CH2-CB 3.96Å; W66-C127 HydrophobicContact CZ2-CB 3.84Å; W66-C127 HydrophobicContact CZ3-CB 4.09Å; C127-F135 PolarHBondContact O-N 3.11Å; C127-Y136 PolarHBondContact N-O 2.98Å; C127-Y136 PolarHBondContact O-N 3.13Å; C127-Y136 VanDerWaalsContact SG-CB 3.56Å |
| 128 | G | 86.9 | Confident | 85.6 | Confident | 0 Ų | 0 | 36.9 Ų | 36.9 | 0% | 0 | 19% | 0.191 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -161 | -174.1 | -176.1 | 0 | 0 | 0 | 0 | 0 | 113.9 | V65 D133 F135 | V65-G128 PolarHBondContact N-O 2.96Å; V65-G128 PolarHBondContact O-N 2.97Å; G128-D133 CarbonylContact C-O 3.6Å; G128-D133 WeakPolarHBondContact CA-O 3.39Å; G128-F135 VanDerWaalsContact C-CE2 3.42Å |
| 129 | S | 81.4 | Confident | 85.9 | Confident | 5 Ų | 5 | 36.1 Ų | 36.1 | 4% | 0.035 | 18% | 0.183 | C | C | . | . | trans | -78.3 | 168.3 | 172.6 | 77.2 | 0 | 0 | 0 | 0 | 112 | H131 K132 D133 | S129-H131 PolarHBondContact O-N 3.16Å; S129-H131 PolarHBondContact OG-N 3.48Å; S129-K132 PolarHBondContact O-N 3.08Å; S129-K132 VanDerWaalsContact O-N 3.1Å; S129-K132 PolarHBondContact OG-N 3.28Å; S129-D133 PolarHBondContact N-O 3.23Å; S129-D133 WeakPolarHBondContact OG-CB 3.49Å; S129-D133 VanDerWaalsContact OG-CG 3.28Å; S129-D133 PolarHBondContact OG-N 3.46Å; S129-D133 PolarHBondContact OG-OD2 2.91Å | ||
| 130 | A | 76.6 | Confident | 86.1 | Confident | 41 Ų | 41 | 34 Ų | 34 | 34% | 0.339 | 17% | 0.169 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -60.5 | -26.7 | 167.9 | 0 | 0 | 0 | 0 | 0 | 112.8 | V65 K132 | V65-A130 HydrophobicContact CG2-CB 4.38Å; A130-K132 PolarHBondContact O-N 3.04Å |
| 131 | H | 76.5 | Confident | 86.5 | Confident | 162 Ų | 162 | 27.6 Ų | 27.6 | 75% | 0.75 | 14% | 0.139 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -84.4 | 8.5 | 177.2 | -56.6 | -61.1 | 0 | 0 | 0 | 113.3 | S129 D133 | S129-H131 PolarHBondContact O-N 3.16Å; S129-H131 PolarHBondContact OG-N 3.48Å; H131-D133 VanDerWaalsContact C-N 3.33Å |
| 132 | K | 77.3 | Confident | 86.8 | Confident | 118 Ų | 118 | 27.6 Ų | 27.6 | 51% | 0.513 | 14% | 0.139 | S | C | . | . | trans | 67.9 | 27.9 | -178.9 | -52.3 | 172.5 | 179.4 | 173.3 | 0 | 113.8 | F67 S129 A130 F134 | F67-K132 HydrophobicContact CE1-CG 4.27Å; F67-K132 HydrophobicContact CZ-CG 4.17Å; S129-K132 PolarHBondContact O-N 3.08Å; S129-K132 VanDerWaalsContact O-N 3.1Å; S129-K132 PolarHBondContact OG-N 3.28Å; A130-K132 PolarHBondContact O-N 3.04Å; K132-F134 HydrophobicContact CB-CE1 4.18Å; K132-F134 HydrophobicContact CB-CZ 4.14Å; K132-F134 PolarHBondContact O-N 3.4Å | ||
| 133 | D | 83.1 | Confident | 86.9 | Confident | 87 Ų | 87 | 27.3 Ų | 27.3 | 47% | 0.465 | 14% | 0.136 | S | C | . | . | trans | -76.3 | 107.4 | 166.2 | -49.7 | -57.8 | 0 | 0 | 0 | 108 | G128 S129 H131 F135 | G128-D133 CarbonylContact C-O 3.6Å; G128-D133 WeakPolarHBondContact CA-O 3.39Å; S129-D133 PolarHBondContact N-O 3.23Å; S129-D133 WeakPolarHBondContact OG-CB 3.49Å; S129-D133 VanDerWaalsContact OG-CG 3.28Å; S129-D133 PolarHBondContact OG-N 3.46Å; S129-D133 PolarHBondContact OG-OD2 2.91Å; H131-D133 VanDerWaalsContact C-N 3.33Å; D133-F135 HydrophobicContact CB-CE1 3.71Å; D133-F135 HydrophobicContact CB-CZ 4.11Å; D133-F135 WeakPolarHBondContact O-CE1 3.28Å; D133-F135 WeakPolarHBondContact O-CZ 3.38Å | ||
| 134 | F | 86.9 | Confident | 86.7 | Confident | 63 Ų | 63 | 33.3 Ų | 33.3 | 28% | 0.276 | 16% | 0.162 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -86.9 | 129.6 | -175.7 | -57.8 | -44.9 | 0 | 0 | 0 | 111.5 | L37 F67 I126 K132 | L37-F134 HydrophobicContact CD1-CB 4.02Å; L37-F134 HydrophobicContact CD2-CB 3.94Å; L37-F134 HydrophobicContact CD2-CD2 4.16Å; L37-F134 HydrophobicContact CD2-CG 4.33Å; F67-F134 HydrophobicContact CD2-CD1 4.1Å; F67-F134 AromaticContact CD2-CE1 3.63Å; F67-F134 HydrophobicContact CD2-CE1 3.63Å; F67-F134 HydrophobicContact CE2-CD1 4.28Å; F67-F134 AromaticContact CE2-CE1 3.83Å; F67-F134 HydrophobicContact CE2-CE1 3.83Å; F67-F134 HydrophobicContact CG-CE1 4.01Å; F67-F134 HydrophobicContact CZ-CE1 4.36Å; I126-F134 HydrophobicContact CB-CD1 4.46Å; I126-F134 HydrophobicContact CG2-CB 3.65Å; I126-F134 HydrophobicContact CG2-CD1 3.44Å; I126-F134 VanDerWaalsContact CG2-CD1 3.44Å; I126-F134 HydrophobicContact CG2-CD2 4.44Å; I126-F134 HydrophobicContact CG2-CE1 4.2Å; I126-F134 HydrophobicContact CG2-CG 3.59Å; K132-F134 HydrophobicContact CB-CE1 4.18Å; K132-F134 HydrophobicContact CB-CZ 4.14Å; K132-F134 PolarHBondContact O-N 3.4Å |
| 135 | F | 85.6 | Confident | 86 | Confident | 17 Ų | 17 | 34.6 Ų | 34.6 | 8% | 0.075 | 17% | 0.172 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.7 | -43.2 | -174.4 | -50.6 | -39.8 | 0 | 0 | 0 | 112.3 | K57 P58 V61 C127 G128 D133 | K57-F135 HydrophobicContact CB-CD2 4.42Å; K57-F135 HydrophobicContact CG-CD2 3.83Å; K57-F135 HydrophobicContact CG-CE2 3.68Å; P58-F135 VanDerWaalsContact CD-CE1 3.42Å; P58-F135 HydrophobicContact CG-CD1 3.93Å; P58-F135 HydrophobicContact CG-CE1 3.56Å; P58-F135 HydrophobicContact CG-CZ 4Å; V61-F135 HydrophobicContact CB-CZ 4.5Å; V61-F135 HydrophobicContact CG1-CE2 4.2Å; V61-F135 HydrophobicContact CG1-CZ 4.39Å; V61-F135 HydrophobicContact CG2-CE2 4.26Å; V61-F135 HydrophobicContact CG2-CZ 3.72Å; C127-F135 PolarHBondContact O-N 3.11Å; G128-F135 VanDerWaalsContact C-CE2 3.42Å; D133-F135 HydrophobicContact CB-CE1 3.71Å; D133-F135 HydrophobicContact CB-CZ 4.11Å; D133-F135 WeakPolarHBondContact O-CE1 3.28Å; D133-F135 WeakPolarHBondContact O-CZ 3.38Å |
| 136 | Y | 87.3 | Confident | 84.8 | Confident | 28 Ų | 28 | 36.4 Ų | 36.4 | 11% | 0.11 | 18% | 0.184 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -151.5 | 146.6 | -173.5 | -161.9 | -92.4 | 0 | 0 | 0 | 111 | T40 H55 I126 C127 Y138 | T40-Y136 PolarHBondContact OG1-OH 3.49Å; H55-Y136 HydrophobicContact CB-CD2 4.41Å; H55-Y136 HydrophobicContact CB-CE2 4.22Å; H55-Y136 AromaticContact CD2-CE1 3.84Å; H55-Y136 AromaticContact CD2-CZ 3.73Å; I126-Y136 WeakPolarHBondContact CA-O 3.38Å; C127-Y136 PolarHBondContact N-O 2.98Å; C127-Y136 PolarHBondContact O-N 3.13Å; C127-Y136 VanDerWaalsContact SG-CB 3.56Å; Y136-Y138 HydrophobicContact CD1-CD2 4.28Å; Y136-Y138 AromaticContact CD1-CE2 3.79Å; Y136-Y138 HydrophobicContact CD1-CE2 3.79Å; Y136-Y138 HydrophobicContact CE1-CD2 4.33Å; Y136-Y138 HydrophobicContact CE1-CE1 4.03Å; Y136-Y138 AromaticContact CE1-CE2 3.75Å; Y136-Y138 HydrophobicContact CE1-CE2 3.75Å; Y136-Y138 AromaticContact CE1-CZ 3.6Å |
| 137 | G | 90 | Very high | 83.3 | Confident | 0 Ų | 0 | 39.4 Ų | 39.4 | 0% | 0 | 21% | 0.209 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -133.4 | 148.6 | -177.7 | 0 | 0 | 0 | 0 | 0 | 113.4 | T38 F39 T40 Y125 | T38-G137 PolarHBondContact O-N 3.44Å; F39-G137 WeakPolarHBondContact CA-O 3.22Å; T40-G137 PolarHBondContact N-O 3.09Å; Y125-G137 CarbonylContact O-C 3.57Å; Y125-G137 VanDerWaalsContact O-CA 3.32Å; Y125-G137 WeakPolarHBondContact O-CA 3.41Å |
| 138 | Y | 90.9 | Very high | 81.9 | Confident | 12 Ų | 12 | 41.5 Ų | 41.5 | 5% | 0.047 | 22% | 0.22 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.4 | 139.7 | 168.5 | -69 | -84.8 | 0 | 0 | 0 | 110 | T40 A42 L52 P53 H55 W66 L124 Y125 Y136 | T40-Y138 HydrophobicContact CG2-CD1 4.45Å; T40-Y138 HydrophobicContact CG2-CE1 4.39Å; T40-Y138 WeakPolarHBondContact O-CA 3.11Å; A42-Y138 HydrophobicContact CB-CD1 4.03Å; L52-Y138 HydrophobicContact CB-CD2 4.09Å; L52-Y138 HydrophobicContact CB-CE2 4.07Å; L52-Y138 HydrophobicContact CD1-CD2 4.34Å; L52-Y138 HydrophobicContact CD1-CG 4.4Å; L52-Y138 HydrophobicContact CD2-CD1 4.17Å; L52-Y138 HydrophobicContact CD2-CD2 4.37Å; L52-Y138 HydrophobicContact CD2-CE1 4.45Å; L52-Y138 HydrophobicContact CD2-CG 4.1Å; P53-Y138 WeakPolarHBondContact CD-OH 3.27Å; P53-Y138 WeakPolarHBondContact O-CE2 3.2Å; P53-Y138 PolarHBondContact O-OH 3.32Å; H55-Y138 PolarHBondContact CD2-OH 3.04Å; H55-Y138 PolarHBondContact NE2-OH 3.39Å; H55-Y138 VanDerWaalsContact NE2-OH 3.13Å; W66-Y138 AromaticContact CH2-CD2 3.89Å; W66-Y138 HydrophobicContact CH2-CD2 3.89Å; W66-Y138 AromaticContact CH2-CE2 3.85Å; W66-Y138 HydrophobicContact CH2-CE2 3.85Å; W66-Y138 HydrophobicContact CZ3-CD2 4.12Å; L124-Y138 CarbonylContact C-O 3.52Å; L124-Y138 WeakPolarHBondContact CA-O 3.47Å; Y125-Y138 PolarHBondContact N-O 2.91Å; Y125-Y138 PolarHBondContact O-N 2.98Å; Y136-Y138 HydrophobicContact CD1-CD2 4.28Å; Y136-Y138 AromaticContact CD1-CE2 3.79Å; Y136-Y138 HydrophobicContact CD1-CE2 3.79Å; Y136-Y138 HydrophobicContact CE1-CD2 4.33Å; Y136-Y138 HydrophobicContact CE1-CE1 4.03Å; Y136-Y138 AromaticContact CE1-CE2 3.75Å; Y136-Y138 HydrophobicContact CE1-CE2 3.75Å; Y136-Y138 AromaticContact CE1-CZ 3.6Å |
| 139 | D | 91.2 | Very high | 80.3 | Confident | 4 Ų | 4 | 48.3 Ų | 48.3 | 2% | 0.021 | 25% | 0.25 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -101 | 98.8 | 162.9 | 165.1 | 44.7 | 0 | 0 | 0 | 107 | F39 T40 N41 A42 L124 Y206 S218 | F39-D139 HydrophobicContact CB-CB 4.16Å; T40-D139 PolarHBondContact O-N 3.16Å; N41-D139 PolarHBondContact ND2-OD2 2.7Å; A42-D139 PolarHBondContact N-O 2.81Å; L124-D139 HydrophobicContact CD2-CB 3.93Å; D139-Y206 HydrophobicContact CB-CD1 3.7Å; D139-Y206 HydrophobicContact CB-CE1 3.78Å; D139-S218 WeakPolarHBondContact OD2-CB 3.41Å; D139-S218 PolarHBondContact OD2-OG 3.46Å |
| 140 | L | 91.9 | Very high | 78.9 | Confident | 1 Ų | 1 | 52.2 Ų | 52.2 | 1% | 0.005 | 28% | 0.277 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.3 | 119.8 | -173.3 | -176.6 | 65.7 | 0 | 0 | 0 | 110.1 | A42 F44 V50 L52 I114 S122 G123 Y125 I142 | A42-L140 HydrophobicContact CB-CD1 4.2Å; A42-L140 WeakPolarHBondContact O-CA 3.47Å; F44-L140 HydrophobicContact CD2-CD1 3.59Å; F44-L140 HydrophobicContact CE2-CD1 3.87Å; V50-L140 HydrophobicContact CG1-CD1 4.12Å; L52-L140 HydrophobicContact CD1-CD2 4.37Å; L52-L140 HydrophobicContact CD2-CD1 4.38Å; I114-L140 HydrophobicContact CD1-CD2 3.69Å; S122-L140 CarbonylContact C-O 3.57Å; S122-L140 VanDerWaalsContact CA-O 3.24Å; S122-L140 WeakPolarHBondContact CA-O 3.3Å; S122-L140 WeakPolarHBondContact CB-O 3.45Å; G123-L140 PolarHBondContact N-O 3.17Å; G123-L140 WeakPolarHBondContact O-CB 3.37Å; G123-L140 PolarHBondContact O-N 3.49Å; Y125-L140 HydrophobicContact CD2-CB 3.71Å; Y125-L140 HydrophobicContact CD2-CD2 3.9Å; Y125-L140 HydrophobicContact CD2-CG 4.46Å; Y125-L140 HydrophobicContact CE2-CB 3.85Å; Y125-L140 HydrophobicContact CE2-CD2 3.41Å; Y125-L140 VanDerWaalsContact CE2-CD2 3.41Å; Y125-L140 HydrophobicContact CE2-CG 4.24Å; L140-I142 HydrophobicContact CD1-CD1 3.87Å; L140-I142 HydrophobicContact CD2-CD1 3.99Å; L140-I142 HydrophobicContact CD2-CG1 4.26Å; L140-I142 HydrophobicContact CG-CD1 3.85Å; L140-I142 HydrophobicContact CG-CG1 4.18Å |
| 141 | D | 91.7 | Very high | 77.9 | Confident | 9 Ų | 9 | 56.1 Ų | 56.1 | 5% | 0.048 | 28% | 0.283 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112 | 116.3 | 172 | 179.2 | 21.6 | 0 | 0 | 0 | 110.1 | A42 A43 F44 Q143 S215 G217 | A42-D141 PolarHBondContact O-N 3.16Å; A43-D141 WeakPolarHBondContact CA-O 3.37Å; F44-D141 PolarHBondContact N-O 2.79Å; D141-Q143 WeakPolarHBondContact OD2-CG 3.41Å; D141-Q143 PolarHBondContact OD2-NE2 3.12Å; D141-S215 WeakPolarHBondContact OD2-CB 3.28Å; D141-S215 PolarHBondContact OD2-OG 3.06Å; D141-G217 WeakPolarHBondContact OD2-CA 3.43Å; D141-G217 PolarHBondContact OD2-N 3.37Å |
| 142 | I | 90.9 | Very high | 76.6 | Confident | 4 Ų | 4 | 57.8 Ų | 57.8 | 2% | 0.021 | 29% | 0.288 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.1 | 105 | 174.3 | -53.1 | -58.6 | 0 | 0 | 0 | 108.8 | F44 A46 V50 A117 G118 S122 L140 | F44-I142 HydrophobicContact CB-CD1 3.83Å; F44-I142 HydrophobicContact CD2-CD1 4.43Å; F44-I142 WeakPolarHBondContact O-CA 3.28Å; A46-I142 HydrophobicContact CB-CG2 3.93Å; V50-I142 HydrophobicContact CG2-CD1 3.97Å; A117-I142 HydrophobicContact CB-CD1 3.98Å; A117-I142 HydrophobicContact CB-CG1 4.25Å; A117-I142 HydrophobicContact CB-CG2 4.46Å; G118-I142 VanDerWaalsContact C-CG2 3.48Å; G118-I142 WeakPolarHBondContact O-CB 3.44Å; G118-I142 WeakPolarHBondContact O-CG2 3.21Å; S122-I142 WeakPolarHBondContact OG-CB 3.41Å; S122-I142 PolarHBondContact OG-N 3.48Å; L140-I142 HydrophobicContact CD1-CD1 3.87Å; L140-I142 HydrophobicContact CD2-CD1 3.99Å; L140-I142 HydrophobicContact CD2-CG1 4.26Å; L140-I142 HydrophobicContact CG-CD1 3.85Å; L140-I142 HydrophobicContact CG-CG1 4.18Å |
| 143 | Q | 90.6 | Very high | 75.1 | Confident | 14 Ų | 14 | 62.5 Ų | 62.5 | 7% | 0.065 | 31% | 0.309 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.4 | 125 | -176.8 | -59.4 | -174.9 | 5.7 | 0 | 0 | 111 | F44 I45 A46 D141 L194 C195 S215 P232 | F44-Q143 PolarHBondContact O-N 2.93Å; I45-Q143 CarbonylContact C-O 3.58Å; I45-Q143 WeakPolarHBondContact CA-O 3.25Å; A46-Q143 PolarHBondContact N-O 3.36Å; D141-Q143 WeakPolarHBondContact OD2-CG 3.41Å; D141-Q143 PolarHBondContact OD2-NE2 3.12Å; Q143-L194 HydrophobicContact CB-CD2 4.48Å; Q143-C195 PolarHBondContact NE2-O 2.55Å; Q143-S215 PolarHBondContact NE2-OG 3.05Å; Q143-P232 HydrophobicContact CB-CB 4.17Å; Q143-P232 HydrophobicContact CB-CG 3.67Å |
| 144 | E | 85.9 | Confident | 73.7 | Confident | 133 Ų | 133 | 65.6 Ų | 65.6 | 62% | 0.621 | 32% | 0.318 | S | S | * | . | P | Polyproline II helix | trans | -78 | 126.4 | 174.8 | -163.5 | 168.8 | -169.2 | 0 | 0 | 110.9 | P119 P232 | P119-E144 HydrophobicContact CG-CB 3.78Å; P119-E144 HydrophobicContact CG-CG 4.29Å; E144-P232 WeakPolarHBondContact O-CD 3.45Å; E144-P232 VanDerWaalsContact O-CG 3.23Å; E144-P232 WeakPolarHBondContact O-CG 3.35Å |
| 145 | A | 73.8 | Confident | 72.1 | Confident | 26 Ų | 26 | 73.7 Ų | 73.7 | 22% | 0.215 | 35% | 0.347 | C | S | . | . | P | Polyproline II helix | trans | -91 | 135.1 | 175 | 0 | 0 | 0 | 0 | 0 | 111.9 | I45 P232 V234 | I45-A145 HydrophobicContact CD1-CB 3.52Å; I45-A145 HydrophobicContact CG1-CB 3.98Å; A145-P232 HydrophobicContact CB-CG 3.91Å; A145-V234 HydrophobicContact CB-CG2 4.12Å |
| 146 | P | 65.4 | Low | 70.8 | Confident | 41 Ų | 41 | 79.1 Ų | 79.1 | 27% | 0.266 | 37% | 0.372 | S | S | . | . | P | Polyproline II helix | trans | -61.4 | 160.1 | 166.4 | 32.4 | -41.9 | 0 | 0 | 0 | 109.9 | L148 E231 | P146-L148 PolarHBondContact O-N 2.94Å; P146-E231 WeakPolarHBondContact CB-OE2 3.37Å; P146-E231 HydrophobicContact CG-CB 3.97Å; P146-E231 HydrophobicContact CG-CG 4.32Å; P146-E231 WeakPolarHBondContact CG-OE2 3.23Å |
| 147 | A | 56.7 | Low | 69.9 | Low | 63 Ų | 63 | 85.8 Ų | 85.8 | 52% | 0.521 | 40% | 0.397 | S | S | . | . | S | Bend | trans | -43.4 | 139.7 | 176.3 | 0 | 0 | 0 | 0 | 0 | 112.6 | K149 | A147-K149 PolarHBondContact O-N 3.46Š|
| 148 | L | 59.3 | Low | 69.1 | Low | 44 Ų | 44 | 90.1 Ų | 90.1 | 23% | 0.23 | 43% | 0.427 | C | S | . | . | trans | -44 | 121.1 | -175.4 | -68.2 | 167.3 | 0 | 0 | 0 | 111.6 | P146 V234 I236 R311 T315 | P146-L148 PolarHBondContact O-N 2.94Å; L148-V234 HydrophobicContact CD2-CB 3.94Å; L148-V234 HydrophobicContact CD2-CG1 3.62Å; L148-I236 HydrophobicContact CD1-CD1 4.09Å; L148-I236 HydrophobicContact CD2-CD1 3.72Å; L148-I236 HydrophobicContact CG-CD1 4.33Å; L148-R311 HydrophobicContact CD1-CB 4.21Å; L148-T315 WeakPolarHBondContact O-CG2 3.27Å | ||
| 149 | K | 54.1 | Low | 68.5 | Low | 143 Ų | 143 | 92.2 Ų | 92.2 | 62% | 0.622 | 44% | 0.443 | S | S | * | . | trans | -104.8 | 102.9 | 173.8 | -67.4 | -178 | -175.9 | 167.8 | 0 | 109 | A147 R151 | A147-K149 PolarHBondContact O-N 3.46Å; K149-R151 PolarHBondContact O-N 3.42Å | ||
| 150 | S | 51.2 | Low | 68 | Low | 87 Ų | 87 | 94.2 Ų | 94.2 | 61% | 0.608 | 45% | 0.452 | S | S | * | . | trans | -65.3 | 115.3 | 168.8 | -175.9 | 0 | 0 | 0 | 0 | 109.1 | ||||
| 151 | R | 55.5 | Low | 67.5 | Low | 122 Ų | 122 | 98.5 Ų | 98.5 | 46% | 0.46 | 48% | 0.478 | S | S | . | . | trans | -104.7 | 121.6 | -175.6 | -153.6 | 177.9 | -175 | -171.7 | 1.7 | 110.1 | K149 E235 | K149-R151 PolarHBondContact O-N 3.42Å; R151-E235 IonicContact NH1-OE1 2.64Å | ||
| 152 | K | 49.2 | Very low | 67 | Low | 198 Ų | 198 | 100.7 Ų | 100.7 | 86% | 0.861 | 49% | 0.492 | S | S | * | . | trans | -63.8 | 139 | 168.6 | -71.2 | -175.1 | 179.1 | 179 | 0 | 110.2 | K154 | K152-K154 PolarHBondContact O-N 3.31Š| ||
| 153 | K | 47 | Very low | 66.6 | Low | 217 Ų | 217 | 105.5 Ų | 105.5 | 94% | 0.943 | 51% | 0.51 | S | S | * | . | trans | -29.5 | 100.3 | -176.8 | -74.9 | 176.7 | 174.6 | 174.9 | 0 | 113.4 | ||||
| 154 | K | 52.9 | Low | 66.4 | Low | 152 Ų | 152 | 108.4 Ų | 108.4 | 66% | 0.661 | 53% | 0.532 | S | S | * | . | trans | -112.5 | 150.1 | 157.6 | -79.7 | -169.4 | 177.2 | -175.7 | 0 | 109.2 | K152 H156 | K152-K154 PolarHBondContact O-N 3.31Å; K154-H156 PolarHBondContact O-N 3.31Å | ||
| 155 | R | 53.7 | Low | 66.3 | Low | 232 Ų | 232 | 105.3 Ų | 105.3 | 88% | 0.875 | 52% | 0.517 | S | S | * | . | trans | -42.7 | 123.9 | -177.1 | -147.2 | 171 | -177.1 | 171.2 | -0.4 | 111.1 | R157 | R155-R157 PolarHBondContact O-N 3.35Š| ||
| 156 | H | 58.2 | Low | 66.9 | Low | 132 Ų | 132 | 110.1 Ų | 110.1 | 61% | 0.611 | 55% | 0.546 | S | S | * | . | trans | -63.2 | 106.2 | -177.8 | -64.1 | -68.4 | 0 | 0 | 0 | 110.3 | K154 | K154-H156 PolarHBondContact O-N 3.31Š| ||
| 157 | R | 67.2 | Low | 67.9 | Low | 168 Ų | 168 | 112.6 Ų | 112.6 | 63% | 0.634 | 56% | 0.556 | S | S | * | * | trans | -109 | 137.6 | 166.3 | -70.5 | -174.2 | 174.8 | 173.3 | -1.9 | 109.1 | R155 S159 | R155-R157 PolarHBondContact O-N 3.35Å; R157-S159 VanDerWaalsContact C-N 3.35Å; R157-S159 WeakPolarHBondContact CB-O 3.44Å | ||
| 158 | S | 74.3 | Confident | 69.4 | Low | 90 Ų | 90 | 110.7 Ų | 110.7 | 63% | 0.629 | 54% | 0.535 | S | S | * | . | S | Bend | trans | -70.8 | -33.8 | 174.1 | 48.5 | 0 | 0 | 0 | 0 | 111.4 | Y174 | S158-Y174 WeakPolarHBondContact O-CB 3.32Å; S158-Y174 PolarHBondContact O-N 3.11Å |
| 159 | S | 77.4 | Confident | 70.8 | Confident | 56 Ų | 56 | 113.4 Ų | 113.4 | 39% | 0.392 | 55% | 0.545 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -141.5 | 155.4 | 171.7 | 62.5 | 0 | 0 | 0 | 0 | 111.2 | R157 I172 | R157-S159 VanDerWaalsContact C-N 3.35Å; R157-S159 WeakPolarHBondContact CB-O 3.44Å; S159-I172 WeakPolarHBondContact CA-O 3.44Å; S159-I172 WeakPolarHBondContact CB-O 3.38Å |
| 160 | F | 81.1 | Confident | 72.5 | Confident | 47 Ų | 47 | 106.6 Ų | 106.6 | 21% | 0.206 | 52% | 0.516 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -143.7 | 136.1 | 170.1 | 69.7 | -81.6 | 0 | 0 | 0 | 110.5 | V162 F171 I172 Y174 K233 | F160-V162 HydrophobicContact CD2-CG2 4.2Å; F160-V162 HydrophobicContact CE2-CG2 3.69Å; F160-V162 HydrophobicContact CZ-CG2 4.29Å; F160-V162 PolarHBondContact O-N 2.95Å; F160-F171 VanDerWaalsContact O-CA 3.27Å; F160-F171 WeakPolarHBondContact O-CA 3.36Å; F160-F171 WeakPolarHBondContact O-CB 3.3Å; F160-I172 HydrophobicContact CD1-CB 4.13Å; F160-I172 HydrophobicContact CE1-CB 3.5Å; F160-I172 HydrophobicContact CE1-CG1 3.89Å; F160-I172 HydrophobicContact CE1-CG2 3.96Å; F160-I172 HydrophobicContact CE2-CG1 4.33Å; F160-I172 HydrophobicContact CZ-CB 3.77Å; F160-I172 HydrophobicContact CZ-CG1 3.59Å; F160-I172 HydrophobicContact CZ-CG2 4.47Å; F160-I172 PolarHBondContact N-O 2.92Å; F160-I172 VanDerWaalsContact N-O 3.16Å; F160-I172 PolarHBondContact O-N 3.39Å; F160-Y174 AromaticContact CD1-CE2 3.87Å; F160-Y174 HydrophobicContact CD1-CE2 3.87Å; F160-Y174 AromaticContact CE1-CE2 3.59Å; F160-Y174 HydrophobicContact CE1-CE2 3.59Å; F160-K233 HydrophobicContact CE1-CD 4.39Å; F160-K233 HydrophobicContact CZ-CD 3.97Å |
| 161 | V | 81.3 | Confident | 74.3 | Confident | 90 Ų | 90 | 104.1 Ų | 104.1 | 55% | 0.545 | 49% | 0.494 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -72.4 | 125.6 | 176.4 | -178.4 | 0 | 0 | 0 | 0 | 108.1 | Y163 V170 F171 | V161-Y163 WeakPolarHBondContact CG1-O 3.27Å; V161-V170 CarbonylContact C-O 3.57Å; V161-V170 WeakPolarHBondContact CA-O 3.45Å; V161-F171 HydrophobicContact CG2-CB 4.47Å |
| 162 | V | 81.8 | Confident | 75.9 | Confident | 55 Ų | 55 | 98.3 Ų | 98.3 | 33% | 0.333 | 47% | 0.472 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.4 | -42.1 | 176.6 | -172.2 | 0 | 0 | 0 | 0 | 110.1 | F160 V170 I172 Q230 | F160-V162 HydrophobicContact CD2-CG2 4.2Å; F160-V162 HydrophobicContact CE2-CG2 3.69Å; F160-V162 HydrophobicContact CZ-CG2 4.29Å; F160-V162 PolarHBondContact O-N 2.95Å; V162-V170 PolarHBondContact N-O 2.87Å; V162-I172 HydrophobicContact CG2-CD1 4.49Å; V162-I172 HydrophobicContact CG2-CG1 3.86Å; V162-Q230 HydrophobicContact CB-CG 4.16Å; V162-Q230 HydrophobicContact CG1-CG 3.58Å; V162-Q230 HydrophobicContact CG2-CG 4.27Å |
| 163 | Y | 82.7 | Confident | 77.8 | Confident | 106 Ų | 106 | 91 Ų | 91 | 42% | 0.416 | 45% | 0.446 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -142.9 | 141.9 | -178 | -179.8 | -102 | 0 | 0 | 0 | 109.9 | V161 H165 Y168 V170 | V161-Y163 WeakPolarHBondContact CG1-O 3.27Å; Y163-H165 HydrophobicContact CD1-CB 4.46Å; Y163-H165 HydrophobicContact CE1-CB 3.65Å; Y163-Y168 HydrophobicContact CD1-CD2 4.46Å; Y163-Y168 AromaticContact CD1-CE2 3.64Å; Y163-Y168 HydrophobicContact CD1-CE2 3.64Å; Y163-Y168 AromaticContact CE1-CE2 3.61Å; Y163-Y168 HydrophobicContact CE1-CE2 3.61Å; Y163-Y168 AromaticContact CE1-CZ 3.66Å; Y163-Y168 WeakPolarHBondContact CE1-OH 3.26Å; Y163-V170 HydrophobicContact CD1-CG2 4.24Å; Y163-V170 PolarHBondContact N-O 3Å; Y163-V170 PolarHBondContact O-N 3.43Å |
| 164 | S | 84.8 | Confident | 79.9 | Confident | 75 Ų | 75 | 81.7 Ų | 81.7 | 52% | 0.524 | 41% | 0.405 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.1 | 124.3 | -179.2 | -173.8 | 0 | 0 | 0 | 0 | 109.6 | ||
| 165 | H | 85.2 | Confident | 81.5 | Confident | 67 Ų | 67 | 80.5 Ų | 80.5 | 31% | 0.31 | 40% | 0.396 | S | S | . | . | trans | -129.2 | 158.8 | 175.4 | -161.7 | 52.4 | 0 | 0 | 0 | 109.2 | Y163 M167 Y168 | Y163-H165 HydrophobicContact CD1-CB 4.46Å; Y163-H165 HydrophobicContact CE1-CB 3.65Å; H165-M167 PolarHBondContact O-N 2.65Å; H165-Y168 CarbonylContact C-O 3.54Å; H165-Y168 WeakPolarHBondContact CA-O 3.22Å; H165-Y168 HydrophobicContact CB-CD1 4.17Å; H165-Y168 HydrophobicContact CB-CE1 4.02Å; H165-Y168 HydrophobicContact CB-CE2 4.46Å; H165-Y168 HydrophobicContact CB-CG 4.46Å; H165-Y168 WeakPolarHBondContact CB-O 3.36Å; H165-Y168 AromaticContact CD2-CE1 3.61Å; H165-Y168 PolarHBondContact N-O 3.23Å; H165-Y168 PolarHBondContact O-N 3.27Å | ||
| 166 | P | 85.7 | Confident | 83.3 | Confident | 127 Ų | 127 | 74.8 Ų | 74.8 | 83% | 0.825 | 39% | 0.392 | S | S | * | . | S | Bend | trans | -59 | -33.4 | 178.9 | -27.7 | 37.8 | 0 | 0 | 0 | 113.5 | ||
| 167 | M | 86.2 | Confident | 84.8 | Confident | 93 Ų | 93 | 71.1 Ų | 71.1 | 46% | 0.458 | 37% | 0.373 | S | S | . | . | S | Bend | trans | -88.8 | -23.6 | -177.8 | -64.9 | -174.9 | -76.9 | 0 | 0 | 114.1 | H165 S199 F201 F225 | H165-M167 PolarHBondContact O-N 2.65Å; M167-S199 PolarHBondContact O-OG 3.29Å; M167-F201 HydrophobicContact CB-CD2 4.16Å; M167-F201 HydrophobicContact CB-CE2 4.04Å; M167-F201 HydrophobicContact CG-CE2 4.05Å; M167-F225 HydrophobicContact CB-CZ 4.39Å |
| 168 | Y | 87.9 | Confident | 85.9 | Confident | 24 Ų | 24 | 64.4 Ų | 64.4 | 9% | 0.094 | 35% | 0.352 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -158.9 | 157.7 | -177 | 66.8 | -89.4 | 0 | 0 | 0 | 112.8 | Y163 H165 V170 V197 Y198 F225 I228 | Y163-Y168 HydrophobicContact CD1-CD2 4.46Å; Y163-Y168 AromaticContact CD1-CE2 3.64Å; Y163-Y168 HydrophobicContact CD1-CE2 3.64Å; Y163-Y168 AromaticContact CE1-CE2 3.61Å; Y163-Y168 HydrophobicContact CE1-CE2 3.61Å; Y163-Y168 AromaticContact CE1-CZ 3.66Å; Y163-Y168 WeakPolarHBondContact CE1-OH 3.26Å; H165-Y168 CarbonylContact C-O 3.54Å; H165-Y168 WeakPolarHBondContact CA-O 3.22Å; H165-Y168 HydrophobicContact CB-CD1 4.17Å; H165-Y168 HydrophobicContact CB-CE1 4.02Å; H165-Y168 HydrophobicContact CB-CE2 4.46Å; H165-Y168 HydrophobicContact CB-CG 4.46Å; H165-Y168 WeakPolarHBondContact CB-O 3.36Å; H165-Y168 AromaticContact CD2-CE1 3.61Å; H165-Y168 PolarHBondContact N-O 3.23Å; H165-Y168 PolarHBondContact O-N 3.27Å; Y168-V170 HydrophobicContact CD2-CG2 4Å; Y168-V170 HydrophobicContact CE2-CG2 3.95Å; Y168-V197 HydrophobicContact CD2-CG1 4.32Å; Y168-Y198 CarbonylContact C-O 3.58Å; Y168-Y198 WeakPolarHBondContact CA-O 3.28Å; Y168-Y198 WeakPolarHBondContact CB-O 3.32Å; Y168-F225 AromaticContact CD1-CD1 3.52Å; Y168-F225 HydrophobicContact CD1-CD1 3.52Å; Y168-F225 HydrophobicContact CD1-CD2 4.11Å; Y168-F225 AromaticContact CD1-CE1 3.56Å; Y168-F225 HydrophobicContact CD1-CE1 3.56Å; Y168-F225 HydrophobicContact CD1-CE2 4.14Å; Y168-F225 AromaticContact CD1-CG 3.84Å; Y168-F225 HydrophobicContact CD1-CG 3.84Å; Y168-F225 AromaticContact CD1-CZ 3.89Å; Y168-F225 HydrophobicContact CD1-CZ 3.89Å; Y168-F225 HydrophobicContact CE1-CB 4.49Å; Y168-F225 AromaticContact CE1-CD1 3.49Å; Y168-F225 HydrophobicContact CE1-CD1 3.49Å; Y168-F225 VanDerWaalsContact CE1-CD1 3.49Å; Y168-F225 AromaticContact CE1-CE1 3.87Å; Y168-F225 HydrophobicContact CE1-CE1 3.87Å; Y168-F225 AromaticContact CE1-CG 3.99Å; Y168-F225 HydrophobicContact CE1-CG 3.99Å; Y168-F225 HydrophobicContact CG-CD1 4.38Å; Y168-F225 HydrophobicContact CG-CD2 4.23Å; Y168-F225 HydrophobicContact CG-CE2 4.39Å; Y168-F225 HydrophobicContact CG-CG 4.26Å; Y168-I228 HydrophobicContact CD2-CD1 3.92Å; Y168-I228 HydrophobicContact CE2-CD1 3.5Å; Y168-I228 HydrophobicContact CE2-CG1 4.05Å |
| 169 | K | 89.6 | Confident | 86.8 | Confident | 100 Ų | 100 | 63.6 Ų | 63.6 | 44% | 0.435 | 34% | 0.343 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.7 | 135.1 | 174.4 | -61.2 | -179.8 | -179.4 | 177.1 | 0 | 109.8 | V197 Y198 | K169-V197 CarbonylContact O-C 3.5Å; K169-V197 WeakPolarHBondContact O-CA 3.44Å; K169-Y198 PolarHBondContact N-O 2.97Å; K169-Y198 PolarHBondContact O-N 2.9Å |
| 170 | V | 89.1 | Confident | 87.5 | Confident | 1 Ų | 1 | 61.3 Ų | 61.3 | 1% | 0.006 | 33% | 0.327 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.6 | 131.7 | 176.4 | -173.2 | 0 | 0 | 0 | 0 | 108.7 | V161 V162 Y163 Y168 Y196 V197 I228 Q230 | V161-V170 CarbonylContact C-O 3.57Å; V161-V170 WeakPolarHBondContact CA-O 3.45Å; V162-V170 PolarHBondContact N-O 2.87Å; Y163-V170 HydrophobicContact CD1-CG2 4.24Å; Y163-V170 PolarHBondContact N-O 3Å; Y163-V170 PolarHBondContact O-N 3.43Å; Y168-V170 HydrophobicContact CD2-CG2 4Å; Y168-V170 HydrophobicContact CE2-CG2 3.95Å; V170-Y196 WeakPolarHBondContact CA-O 3.39Å; V170-V197 HydrophobicContact CG2-CG2 4.39Å; V170-I228 HydrophobicContact CB-CG2 4.12Å; V170-I228 HydrophobicContact CG1-CG2 3.44Å; V170-I228 VanDerWaalsContact CG1-CG2 3.44Å; V170-I228 HydrophobicContact CG2-CB 4.36Å; V170-I228 HydrophobicContact CG2-CD1 3.6Å; V170-I228 HydrophobicContact CG2-CG1 3.76Å; V170-I228 HydrophobicContact CG2-CG2 3.57Å; V170-Q230 HydrophobicContact CG1-CB 4.4Å |
| 171 | F | 89.4 | Confident | 88.1 | Confident | 34 Ų | 34 | 59.1 Ų | 59.1 | 15% | 0.149 | 32% | 0.318 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -143 | 153.3 | 177.9 | 64.5 | -80.3 | 0 | 0 | 0 | 111.2 | F160 V161 Y196 V213 | F160-F171 VanDerWaalsContact O-CA 3.27Å; F160-F171 WeakPolarHBondContact O-CA 3.36Å; F160-F171 WeakPolarHBondContact O-CB 3.3Å; V161-F171 HydrophobicContact CG2-CB 4.47Å; F171-Y196 HydrophobicContact CE2-CD2 4.29Å; F171-Y196 HydrophobicContact CE2-CG 4.37Å; F171-Y196 HydrophobicContact CZ-CG 4.28Å; F171-Y196 PolarHBondContact N-O 2.93Å; F171-Y196 PolarHBondContact O-N 3.08Å; F171-V213 HydrophobicContact CE1-CG1 4.24Å; F171-V213 HydrophobicContact CZ-CG1 3.84Å; F171-V213 HydrophobicContact CZ-CG2 4.38Å |
| 172 | I | 88.5 | Confident | 88.5 | Confident | 0 Ų | 0 | 54.9 Ų | 54.9 | 0% | 0 | 29% | 0.292 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -94 | 128.5 | 166.9 | -59 | -56.3 | 0 | 0 | 0 | 107.7 | S159 F160 V162 Y174 L194 C195 | S159-I172 WeakPolarHBondContact CA-O 3.44Å; S159-I172 WeakPolarHBondContact CB-O 3.38Å; F160-I172 HydrophobicContact CD1-CB 4.13Å; F160-I172 HydrophobicContact CE1-CB 3.5Å; F160-I172 HydrophobicContact CE1-CG1 3.89Å; F160-I172 HydrophobicContact CE1-CG2 3.96Å; F160-I172 HydrophobicContact CE2-CG1 4.33Å; F160-I172 HydrophobicContact CZ-CB 3.77Å; F160-I172 HydrophobicContact CZ-CG1 3.59Å; F160-I172 HydrophobicContact CZ-CG2 4.47Å; F160-I172 PolarHBondContact N-O 2.92Å; F160-I172 VanDerWaalsContact N-O 3.16Å; F160-I172 PolarHBondContact O-N 3.39Å; V162-I172 HydrophobicContact CG2-CD1 4.49Å; V162-I172 HydrophobicContact CG2-CG1 3.86Å; I172-Y174 HydrophobicContact CG2-CD2 4.4Å; I172-Y174 HydrophobicContact CG2-CE1 4.43Å; I172-Y174 HydrophobicContact CG2-CE2 4.09Å; I172-L194 VanDerWaalsContact CA-O 3.32Å; I172-L194 WeakPolarHBondContact CA-O 3.33Å; I172-C195 HydrophobicContact CD1-CB 3.9Å |
| 173 | S | 90.3 | Very high | 89 | Confident | 46 Ų | 46 | 52.7 Ų | 52.7 | 32% | 0.322 | 28% | 0.279 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.7 | 119.8 | 172.9 | -166.3 | 0 | 0 | 0 | 0 | 109.9 | G193 L194 | S173-G193 VanDerWaalsContact O-CA 3.28Å; S173-G193 WeakPolarHBondContact O-CA 3.42Å; S173-L194 PolarHBondContact N-O 2.97Å; S173-L194 PolarHBondContact O-N 3.44Å |
| 174 | Y | 89.8 | Confident | 89.2 | Confident | 20 Ų | 20 | 50.4 Ų | 50.4 | 8% | 0.078 | 29% | 0.287 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -89 | 136 | 177.7 | -72.2 | -78.4 | 0 | 0 | 0 | 111.6 | S158 F160 I172 R191 I192 K233 E235 | S158-Y174 WeakPolarHBondContact O-CB 3.32Å; S158-Y174 PolarHBondContact O-N 3.11Å; F160-Y174 AromaticContact CD1-CE2 3.87Å; F160-Y174 HydrophobicContact CD1-CE2 3.87Å; F160-Y174 AromaticContact CE1-CE2 3.59Å; F160-Y174 HydrophobicContact CE1-CE2 3.59Å; I172-Y174 HydrophobicContact CG2-CD2 4.4Å; I172-Y174 HydrophobicContact CG2-CE1 4.43Å; I172-Y174 HydrophobicContact CG2-CE2 4.09Å; Y174-R191 HydrophobicContact CD1-CG 4.15Å; Y174-I192 WeakPolarHBondContact CA-O 3.25Å; Y174-K233 HydrophobicContact CE1-CB 4.03Å; Y174-K233 WeakPolarHBondContact OH-CB 3.11Å; Y174-K233 WeakPolarHBondContact OH-CD 3.16Å; Y174-E235 HydrophobicContact CE1-CG 4.12Å; Y174-E235 PolarHBondContact OH-OE1 2.95Å; Y174-E235 VanDerWaalsContact OH-OE1 3.08Å |
| 175 | R | 88.1 | Confident | 89.3 | Confident | 127 Ų | 127 | 48.6 Ų | 48.6 | 48% | 0.479 | 28% | 0.277 | S | S | . | . | P | Polyproline II helix | trans | -67.3 | 160.7 | 161.6 | -63.9 | -171.5 | -179.5 | -167.7 | 1.8 | 110.3 | I192 | R175-I192 PolarHBondContact N-O 2.89Š|
| 176 | S | 90.1 | Very high | 89.6 | Confident | 113 Ų | 113 | 48.8 Ų | 48.8 | 79% | 0.79 | 28% | 0.284 | S | S | * | . | P | Polyproline II helix | trans | -56.2 | 151 | 169.2 | -62.5 | 0 | 0 | 0 | 0 | 110.6 | S178 | S176-S178 PolarHBondContact O-N 3.28Š|
| 177 | W | 90.4 | Very high | 89.9 | Confident | 54 Ų | 54 | 42.8 Ų | 42.8 | 21% | 0.205 | 25% | 0.245 | C | C | . | . | P | Polyproline II helix | trans | -57.8 | 137.4 | 171.2 | -73.4 | 101.1 | 0 | 0 | 0 | 110.2 | Q189 R191 E235 R237 | W177-Q189 HydrophobicContact CE3-CB 3.84Å; W177-Q189 HydrophobicContact CZ3-CB 4.44Å; W177-Q189 WeakPolarHBondContact CZ3-O 3.39Å; W177-R191 HydrophobicContact CD2-CB 4.03Å; W177-R191 HydrophobicContact CD2-CG 3.91Å; W177-R191 HydrophobicContact CE3-CB 3.86Å; W177-R191 HydrophobicContact CE3-CG 3.8Å; W177-R191 HydrophobicContact CG-CB 4.5Å; W177-R191 HydrophobicContact CH2-CG 3.79Å; W177-R191 HydrophobicContact CZ2-CG 3.88Å; W177-R191 HydrophobicContact CZ3-CB 4.22Å; W177-R191 HydrophobicContact CZ3-CG 3.74Å; W177-E235 HydrophobicContact CH2-CB 3.92Å; W177-E235 WeakPolarHBondContact CZ3-O 3.41Å; W177-R237 HydrophobicContact CD2-CG 4.47Å; W177-R237 HydrophobicContact CE3-CG 4Å; W177-R237 HydrophobicContact CH2-CB 4.02Å; W177-R237 HydrophobicContact CH2-CG 3.83Å; W177-R237 HydrophobicContact CZ2-CG 4.31Å; W177-R237 HydrophobicContact CZ3-CB 4.2Å; W177-R237 HydrophobicContact CZ3-CG 3.66Å |
| 178 | S | 90.9 | Very high | 90.1 | Very high | 28 Ų | 28 | 38.5 Ų | 38.5 | 20% | 0.196 | 22% | 0.224 | C | C | . | . | P | Polyproline II helix | trans | -60.1 | 163.5 | 169.9 | 71.4 | 0 | 0 | 0 | 0 | 111 | S176 Q189 V190 | S176-S178 PolarHBondContact O-N 3.28Å; S178-Q189 WeakPolarHBondContact O-CG 3.32Å; S178-Q189 PolarHBondContact O-NE2 2.71Å; S178-V190 WeakPolarHBondContact CB-O 3.3Å; S178-V190 PolarHBondContact N-O 2.96Å; S178-V190 PolarHBondContact OG-N 2.84Å; S178-V190 PolarHBondContact OG-O 2.93Å |
| 179 | V | 92.6 | Very high | 90.3 | Very high | 73 Ų | 73 | 38.9 Ų | 38.9 | 44% | 0.442 | 23% | 0.227 | S | C | . | . | P | Polyproline II helix | trans | -59.6 | 162.9 | 160 | -59.3 | 0 | 0 | 0 | 0 | 110.2 | D181 V299 Q350 | V179-D181 PolarHBondContact O-N 3.38Å; V179-V299 HydrophobicContact CG2-CG1 3.52Å; V179-Q350 HydrophobicContact CG2-CB 3.83Å; V179-Q350 HydrophobicContact CG2-CG 3.95Å |
| 180 | C | 92.9 | Very high | 90.2 | Very high | 8 Ų | 8 | 34.6 Ų | 34.6 | 5% | 0.054 | 21% | 0.209 | C | C | . | . | P | Polyproline II helix | trans | -64.5 | 133.3 | 174.5 | -160.4 | 0 | 0 | 0 | 0 | 108.9 | R182 Q189 C239 V241 G351 | C180-R182 PolarHBondContact O-N 2.81Å; C180-R182 PolarHBondContact SG-O 3.44Å; C180-Q189 HydrophobicContact CB-CG 4.48Å; C180-C239 WeakPolarHBondContact CA-SG 3.38Å; C180-C239 HydrophobicContact CB-CB 3.98Å; C180-C239 WeakPolarHBondContact CB-SG 3.3Å; C180-C239 WeakPolarHBondContact SG-CB 3.4Å; C180-C239 CovalentContact SG-SG 2.03Å; C180-C239 PolarHBondContact SG-SG 3.39Å; C180-V241 HydrophobicContact CB-CG1 4.06Å; C180-V241 HydrophobicContact CB-CG2 3.7Å; C180-G351 PolarHBondContact O-N 3.18Å |
| 181 | D | 92.7 | Very high | 90.2 | Very high | 1 Ų | 1 | 35.6 Ų | 35.6 | 1% | 0.005 | 21% | 0.213 | C | C | . | . | S | Bend | trans | -67.1 | -26.2 | -177.5 | 68.6 | -8.6 | 0 | 0 | 0 | 113.4 | V179 G187 E188 V299 W348 G351 | V179-D181 PolarHBondContact O-N 3.38Å; D181-G187 WeakPolarHBondContact OD1-CA 3.49Å; D181-E188 PolarHBondContact N-O 2.81Å; D181-E188 PolarHBondContact OD1-N 2.93Å; D181-V299 HydrophobicContact CB-CG1 4.4Å; D181-V299 HydrophobicContact CB-CG2 3.88Å; D181-W348 VanDerWaalsContact O-CB 3.27Å; D181-W348 WeakPolarHBondContact O-CB 3.05Å; D181-G351 VanDerWaalsContact O-CA 3.24Å; D181-G351 WeakPolarHBondContact O-CA 3.39Å; D181-G351 PolarHBondContact O-N 3.06Å; D181-G351 VanDerWaalsContact O-N 3.12Å |
| 182 | R | 90.6 | Very high | 90.1 | Very high | 1 Ų | 1 | 35.3 Ų | 35.3 | 0% | 0.004 | 21% | 0.212 | C | C | . | . | B | Isolated β-bridge | trans | -128 | 154.7 | 178.1 | -64.1 | 178.6 | -178 | 82.7 | -7.9 | 111.4 | C180 V241 W302 D303 I309 W348 | C180-R182 PolarHBondContact O-N 2.81Å; C180-R182 PolarHBondContact SG-O 3.44Å; R182-V241 WeakPolarHBondContact O-CG2 3.4Å; R182-W302 VanDerWaalsContact NH2-C 3.31Å; R182-W302 PolarHBondContact NH2-O 3.35Å; R182-D303 IonicContact CZ-OD1 3.28Å; R182-D303 IonicContact NE-OD1 3.61Å; R182-D303 PolarHBondContact NE-OD1 2.95Å; R182-D303 IonicContact NH2-OD1 2.95Å; R182-D303 PolarHBondContact NH2-OD1 2.9Å; R182-I309 PolarHBondContact NH2-O 3.49Å; R182-W348 HydrophobicContact CB-CE3 4.45Å; R182-W348 HydrophobicContact CG-CD2 3.97Å; R182-W348 HydrophobicContact CG-CE3 4.39Å; R182-W348 HydrophobicContact CG-CG 4.03Å |
| 183 | C | 90.6 | Very high | 90.1 | Very high | 9 Ų | 9 | 35.3 Ų | 35.3 | 6% | 0.061 | 21% | 0.212 | C | C | . | . | S | Bend | trans | -119.2 | 157 | 166.7 | 73.7 | 0 | 0 | 0 | 0 | 110.1 | A185 V241 C243 G351 | C183-A185 PolarHBondContact O-N 3.49Å; C183-V241 CarbonylContact C-O 3.59Å; C183-V241 WeakPolarHBondContact CA-O 3.48Å; C183-V241 HydrophobicContact CB-CG2 4.07Å; C183-C243 HydrophobicContact CB-CB 3.89Å; C183-C243 WeakPolarHBondContact CB-SG 3.22Å; C183-C243 PolarHBondContact O-SG 2.9Å; C183-C243 VanDerWaalsContact O-SG 3.42Å; C183-C243 WeakPolarHBondContact SG-CA 3.49Å; C183-C243 WeakPolarHBondContact SG-CB 3.48Å; C183-C243 CovalentContact SG-SG 2.04Å; C183-C243 PolarHBondContact SG-SG 3.33Å; C183-G351 WeakPolarHBondContact CB-O 3.24Å; C183-G351 PolarHBondContact N-O 3.38Å; C183-G351 PolarHBondContact SG-O 2.9Å |
| 184 | G | 88.2 | Confident | 90.1 | Very high | 58 Ų | 58 | 33.2 Ų | 33.2 | 60% | 0.598 | 20% | 0.198 | S | C | * | . | S | Bend | trans | 71.4 | -15.5 | 177.9 | 0 | 0 | 0 | 0 | 0 | 115 | V241 C243 | G184-V241 PolarHBondContact N-O 3.15Å; G184-C243 PolarHBondContact N-SG 2.88Å; G184-C243 VanDerWaalsContact N-SG 3.42Å |
| 185 | A | 86.7 | Confident | 90.2 | Very high | 37 Ų | 37 | 32.3 Ų | 32.3 | 31% | 0.306 | 19% | 0.194 | S | C | . | . | S | Bend | trans | -127.3 | 164.7 | 175.2 | 0 | 0 | 0 | 0 | 0 | 110.3 | C183 G187 | C183-A185 PolarHBondContact O-N 3.49Å; A185-G187 PolarHBondContact O-N 2.85Å |
| 186 | P | 91.2 | Very high | 90.3 | Very high | 71 Ų | 71 | 28.3 Ų | 28.3 | 46% | 0.461 | 18% | 0.179 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -56.5 | 133.1 | 168.8 | -20 | 32 | 0 | 0 | 0 | 110.3 | Y310 | P186-Y310 WeakPolarHBondContact O-CE1 3.22Å; P186-Y310 PolarHBondContact O-OH 2.76Å; P186-Y310 VanDerWaalsContact O-OH 3.14Å |
| 187 | G | 91.8 | Very high | 90.2 | Very high | 1 Ų | 1 | 23 Ų | 23 | 1% | 0.01 | 14% | 0.142 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -133.4 | -178.8 | -179.4 | 0 | 0 | 0 | 0 | 0 | 112 | D181 A185 S238 C239 | D181-G187 WeakPolarHBondContact OD1-CA 3.49Å; A185-G187 PolarHBondContact O-N 2.85Å; G187-S238 CarbonylContact O-C 3.59Å; G187-S238 WeakPolarHBondContact O-CA 3.2Å; G187-C239 PolarHBondContact N-O 2.87Å; G187-C239 PolarHBondContact O-N 2.85Å; G187-C239 PolarHBondContact O-SG 3.49Å |
| 188 | E | 91.4 | Very high | 90.2 | Very high | 3 Ų | 3 | 24.5 Ų | 24.5 | 1% | 0.014 | 15% | 0.148 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.5 | 143.7 | 177.8 | -67.6 | -178 | 138.6 | 0 | 0 | 111.9 | D181 I236 R237 C239 Y310 R311 S312 | D181-E188 PolarHBondContact N-O 2.81Å; D181-E188 PolarHBondContact OD1-N 2.93Å; E188-I236 HydrophobicContact CB-CG2 4.02Å; E188-I236 HydrophobicContact CG-CG2 4Å; E188-R237 WeakPolarHBondContact CA-O 3.42Å; E188-C239 PolarHBondContact N-SG 3.39Å; E188-C239 VanDerWaalsContact N-SG 3.45Å; E188-Y310 HydrophobicContact CG-CD1 3.92Å; E188-R311 PolarHBondContact OE1-N 2.8Å; E188-R311 VanDerWaalsContact OE2-CB 3.31Å; E188-R311 WeakPolarHBondContact OE2-CB 3.41Å; E188-R311 PolarHBondContact OE2-N 2.64Å; E188-S312 WeakPolarHBondContact OE1-CB 3.34Å; E188-S312 PolarHBondContact OE1-N 2.95Å; E188-S312 PolarHBondContact OE1-OG 2.79Å |
| 189 | Q | 91.3 | Very high | 90.1 | Very high | 32 Ų | 32 | 23.2 Ų | 23.2 | 15% | 0.15 | 14% | 0.139 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.5 | 141.9 | 163.6 | -67.7 | 178.5 | -56.2 | 0 | 0 | 108.8 | W177 S178 C180 I236 R237 C239 | W177-Q189 HydrophobicContact CE3-CB 3.84Å; W177-Q189 HydrophobicContact CZ3-CB 4.44Å; W177-Q189 WeakPolarHBondContact CZ3-O 3.39Å; S178-Q189 WeakPolarHBondContact O-CG 3.32Å; S178-Q189 PolarHBondContact O-NE2 2.71Å; C180-Q189 HydrophobicContact CB-CG 4.48Å; Q189-I236 WeakPolarHBondContact O-CA 3.27Å; Q189-R237 HydrophobicContact CB-CG 3.97Å; Q189-R237 PolarHBondContact N-O 2.75Å; Q189-R237 PolarHBondContact O-N 3.39Å; Q189-C239 HydrophobicContact CG-CB 3.98Å |
| 190 | V | 88 | Confident | 89.8 | Confident | 10 Ų | 10 | 29.2 Ų | 29.2 | 6% | 0.061 | 15% | 0.154 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.3 | 142.4 | -179.8 | -174.1 | 0 | 0 | 0 | 0 | 108.9 | S178 V234 E235 I236 | S178-V190 WeakPolarHBondContact CB-O 3.3Å; S178-V190 PolarHBondContact N-O 2.96Å; S178-V190 PolarHBondContact OG-N 2.84Å; S178-V190 PolarHBondContact OG-O 2.93Å; V190-V234 HydrophobicContact CG1-CG1 3.81Å; V190-E235 WeakPolarHBondContact CA-O 3.21Å; V190-I236 HydrophobicContact CG2-CG1 4.32Å |
| 191 | R | 88.1 | Confident | 89.4 | Confident | 21 Ų | 21 | 35 Ų | 35 | 8% | 0.079 | 18% | 0.179 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -134.3 | 146.6 | 163.9 | 67.2 | 175.2 | 178.3 | 166.4 | 5.1 | 110.4 | Y174 W177 E235 | Y174-R191 HydrophobicContact CD1-CG 4.15Å; W177-R191 HydrophobicContact CD2-CB 4.03Å; W177-R191 HydrophobicContact CD2-CG 3.91Å; W177-R191 HydrophobicContact CE3-CB 3.86Å; W177-R191 HydrophobicContact CE3-CG 3.8Å; W177-R191 HydrophobicContact CG-CB 4.5Å; W177-R191 HydrophobicContact CH2-CG 3.79Å; W177-R191 HydrophobicContact CZ2-CG 3.88Å; W177-R191 HydrophobicContact CZ3-CB 4.22Å; W177-R191 HydrophobicContact CZ3-CG 3.74Å; R191-E235 HydrophobicContact CG-CB 3.91Å; R191-E235 IonicContact CZ-OE2 3.76Å; R191-E235 PolarHBondContact N-O 3.04Å; R191-E235 IonicContact NE-OE2 3.82Å; R191-E235 PolarHBondContact NE-OE2 3.3Å; R191-E235 IonicContact NH2-OE1 2.75Å; R191-E235 IonicContact NH2-OE2 3.64Å; R191-E235 PolarHBondContact NH2-OE2 3.03Å; R191-E235 PolarHBondContact O-N 3.29Å |
| 192 | I | 87.5 | Confident | 88.9 | Confident | 28 Ų | 28 | 35.9 Ų | 35.9 | 14% | 0.144 | 18% | 0.183 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.2 | 132.1 | -178 | -61.2 | 156.6 | 0 | 0 | 0 | 108 | I45 Y174 R175 L194 K233 | I45-I192 HydrophobicContact CB-CG2 4.07Å; I45-I192 HydrophobicContact CD1-CG2 3.82Å; I45-I192 HydrophobicContact CG2-CD1 3.91Å; I45-I192 HydrophobicContact CG2-CG2 4.25Å; Y174-I192 WeakPolarHBondContact CA-O 3.25Å; R175-I192 PolarHBondContact N-O 2.89Å; I192-L194 HydrophobicContact CG2-CD2 3.93Å; I192-L194 HydrophobicContact CG2-CG 4.21Å; I192-K233 CarbonylContact C-O 3.58Å |
| 193 | G | 89.6 | Confident | 88.3 | Confident | 0 Ų | 0 | 41 Ų | 41 | 0% | 0 | 21% | 0.206 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.8 | 121.2 | 171.8 | 0 | 0 | 0 | 0 | 0 | 110.2 | S173 P232 K233 | S173-G193 VanDerWaalsContact O-CA 3.28Å; S173-G193 WeakPolarHBondContact O-CA 3.42Å; G193-P232 CarbonylContact O-C 3.6Å; G193-P232 VanDerWaalsContact O-CA 3.23Å; G193-P232 WeakPolarHBondContact O-CA 3.36Å; G193-P232 VanDerWaalsContact O-CB 3.23Å; G193-P232 WeakPolarHBondContact O-CB 3.2Å; G193-K233 PolarHBondContact N-O 3.15Å; G193-K233 PolarHBondContact O-N 2.7Å |
| 194 | L | 90.4 | Very high | 87.5 | Confident | 3 Ų | 3 | 46 Ų | 46 | 2% | 0.016 | 24% | 0.237 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.9 | 152.6 | 178.4 | -60.1 | 173.2 | 0 | 0 | 0 | 110.4 | A43 I45 Q143 I172 S173 I192 Y196 P232 | A43-L194 HydrophobicContact CB-CD1 3.93Å; A43-L194 VanDerWaalsContact O-CD1 3.25Å; A43-L194 WeakPolarHBondContact O-CD1 3.33Å; I45-L194 HydrophobicContact CB-CD2 4.16Å; Q143-L194 HydrophobicContact CB-CD2 4.48Å; I172-L194 VanDerWaalsContact CA-O 3.32Å; I172-L194 WeakPolarHBondContact CA-O 3.33Å; S173-L194 PolarHBondContact N-O 2.97Å; S173-L194 PolarHBondContact O-N 3.44Å; I192-L194 HydrophobicContact CG2-CD2 3.93Å; I192-L194 HydrophobicContact CG2-CG 4.21Å; L194-Y196 HydrophobicContact CB-CD2 4.47Å; L194-Y196 HydrophobicContact CB-CE2 3.67Å; L194-Y196 VanDerWaalsContact O-CD2 3.29Å; L194-Y196 WeakPolarHBondContact O-CD2 3.47Å; L194-P232 HydrophobicContact CD2-CB 4.13Å |
| 195 | C | 90.8 | Very high | 86.7 | Confident | 0 Ų | 0 | 49.9 Ų | 49.9 | 0% | 0 | 23% | 0.233 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -82 | 129.3 | 178.6 | -173.2 | 0 | 0 | 0 | 0 | 111.1 | Q143 I172 S215 C216 Q230 | Q143-C195 PolarHBondContact NE2-O 2.55Å; I172-C195 HydrophobicContact CD1-CB 3.9Å; C195-S215 PolarHBondContact O-OG 2.86Å; C195-C216 HydrophobicContact CB-CB 3.67Å; C195-C216 WeakPolarHBondContact CB-SG 3.22Å; C195-C216 PolarHBondContact O-N 3.33Å; C195-C216 VanDerWaalsContact O-N 3.07Å; C195-C216 PolarHBondContact O-SG 2.77Å; C195-C216 WeakPolarHBondContact SG-CB 3.38Å; C195-C216 CovalentContact SG-SG 2.03Å; C195-C216 PolarHBondContact SG-SG 3.28Å; C195-Q230 WeakPolarHBondContact CB-O 3.27Å |
| 196 | Y | 90.1 | Very high | 85.8 | Confident | 44 Ų | 44 | 49.1 Ų | 49.1 | 17% | 0.173 | 22% | 0.223 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.4 | 149.8 | 175 | -64.1 | -83.7 | 0 | 0 | 0 | 111.8 | A43 V170 F171 L194 V213 A214 C216 | A43-Y196 HydrophobicContact CB-CE1 4.11Å; V170-Y196 WeakPolarHBondContact CA-O 3.39Å; F171-Y196 HydrophobicContact CE2-CD2 4.29Å; F171-Y196 HydrophobicContact CE2-CG 4.37Å; F171-Y196 HydrophobicContact CZ-CG 4.28Å; F171-Y196 PolarHBondContact N-O 2.93Å; F171-Y196 PolarHBondContact O-N 3.08Å; L194-Y196 HydrophobicContact CB-CD2 4.47Å; L194-Y196 HydrophobicContact CB-CE2 3.67Å; L194-Y196 VanDerWaalsContact O-CD2 3.29Å; L194-Y196 WeakPolarHBondContact O-CD2 3.47Å; Y196-V213 HydrophobicContact CD1-CG1 4Å; Y196-V213 HydrophobicContact CG-CG1 4.24Å; Y196-A214 CarbonylContact C-O 3.55Å; Y196-A214 WeakPolarHBondContact CA-O 3.23Å; Y196-C216 VanDerWaalsContact C-SG 3.58Å; Y196-C216 PolarHBondContact N-SG 2.78Å |
| 197 | V | 89.8 | Confident | 84.4 | Confident | 0 Ų | 0 | 51.3 Ų | 51.3 | 0% | 0 | 22% | 0.222 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.9 | 124.3 | 172.9 | -179.8 | 0 | 0 | 0 | 0 | 108.9 | Y168 K169 V170 V213 A214 C216 V221 I228 | Y168-V197 HydrophobicContact CD2-CG1 4.32Å; K169-V197 CarbonylContact O-C 3.5Å; K169-V197 WeakPolarHBondContact O-CA 3.44Å; V170-V197 HydrophobicContact CG2-CG2 4.39Å; V197-V213 WeakPolarHBondContact O-CA 2.9Å; V197-A214 PolarHBondContact N-O 2.96Å; V197-A214 PolarHBondContact O-N 3.49Å; V197-C216 HydrophobicContact CG2-CB 4.38Å; V197-V221 HydrophobicContact CB-CG2 4.39Å; V197-I228 HydrophobicContact CG2-CD1 3.78Å |
| 198 | Y | 88.9 | Confident | 82.9 | Confident | 87 Ų | 87 | 53.9 Ų | 53.9 | 34% | 0.341 | 24% | 0.235 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -93.5 | 122.5 | 165.6 | 175.2 | -85.1 | 0 | 0 | 0 | 109.2 | Y168 K169 T212 V213 | Y168-Y198 CarbonylContact C-O 3.58Å; Y168-Y198 WeakPolarHBondContact CA-O 3.28Å; Y168-Y198 WeakPolarHBondContact CB-O 3.32Å; K169-Y198 PolarHBondContact N-O 2.97Å; K169-Y198 PolarHBondContact O-N 2.9Å; Y198-T212 CarbonylContact C-O 3.6Å; Y198-T212 VanDerWaalsContact CA-O 3.28Å; Y198-T212 WeakPolarHBondContact CA-O 3.34Å; Y198-T212 WeakPolarHBondContact CD2-OG1 3.31Å; Y198-T212 WeakPolarHBondContact CE2-OG1 3.33Å; Y198-V213 HydrophobicContact CD2-CG2 3.85Å |
| 199 | S | 88.3 | Confident | 80.9 | Confident | 1 Ų | 1 | 58 Ų | 58 | 1% | 0.007 | 27% | 0.27 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -154 | 151.6 | 172 | -173.4 | 0 | 0 | 0 | 0 | 111.2 | M167 F201 T212 | M167-S199 PolarHBondContact O-OG 3.29Å; S199-F201 VanDerWaalsContact C-N 3.27Å; S199-F201 PolarHBondContact OG-N 3.43Å; S199-F201 VanDerWaalsContact OG-N 3.11Å; S199-T212 PolarHBondContact N-O 2.95Å |
| 200 | R | 86.1 | Confident | 79.2 | Confident | 199 Ų | 199 | 63.7 Ų | 63.7 | 75% | 0.751 | 30% | 0.301 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -82.1 | -9.5 | 169.4 | -66.5 | -177.5 | 176.6 | 170 | -1.1 | 112.6 | ||
| 201 | F | 84.8 | Confident | 78.3 | Confident | 130 Ų | 130 | 67.5 Ų | 67.5 | 57% | 0.57 | 32% | 0.318 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -103.8 | 17.7 | -175.2 | -55 | -72.5 | 0 | 0 | 0 | 113.1 | M167 S199 P222 F225 | M167-F201 HydrophobicContact CB-CD2 4.16Å; M167-F201 HydrophobicContact CB-CE2 4.04Å; M167-F201 HydrophobicContact CG-CE2 4.05Å; S199-F201 VanDerWaalsContact C-N 3.27Å; S199-F201 PolarHBondContact OG-N 3.43Å; S199-F201 VanDerWaalsContact OG-N 3.11Å; F201-P222 WeakPolarHBondContact O-CG 3.38Å; F201-F225 HydrophobicContact CB-CZ 4.43Å |
| 202 | L | 83 | Confident | 78.2 | Confident | 19 Ų | 19 | 68 Ų | 68 | 10% | 0.099 | 32% | 0.324 | C | S | . | . | S | Bend | trans | -66.8 | 147.7 | 171.8 | -60.4 | 175.7 | 0 | 0 | 0 | 110.1 | V204 A214 V221 | L202-V204 PolarHBondContact O-N 2.89Å; L202-A214 HydrophobicContact CD1-CB 3.84Å; L202-A214 HydrophobicContact CD2-CB 4.16Å; L202-V221 HydrophobicContact CD2-CG2 4.01Å |
| 203 | H | 78.6 | Confident | 78.2 | Confident | 107 Ų | 107 | 69.2 Ų | 69.2 | 50% | 0.495 | 33% | 0.332 | S | S | . | . | trans | -60.4 | 130.8 | -180 | -87.3 | -71.5 | 0 | 0 | 0 | 111.9 | R205 Y206 R207 G220 | H203-R205 PolarHBondContact O-N 2.8Å; H203-R205 VanDerWaalsContact O-N 3.1Å; H203-Y206 HydrophobicContact CB-CD2 3.55Å; H203-Y206 HydrophobicContact CB-CE2 3.96Å; H203-Y206 PolarHBondContact O-N 3.38Å; H203-R207 PolarHBondContact O-N 2.84Å; H203-G220 PolarHBondContact N-O 3.07Å; H203-G220 VanDerWaalsContact N-O 3.11Å | ||
| 204 | V | 72.2 | Confident | 78.2 | Confident | 115 Ų | 115 | 69.4 Ų | 69.4 | 70% | 0.697 | 33% | 0.334 | S | S | * | . | G | 310 helix | trans | -57.9 | -30.5 | -172.9 | -177.4 | 0 | 0 | 0 | 0 | 113.1 | L202 Y206 R207 | L202-V204 PolarHBondContact O-N 2.89Å; V204-Y206 PolarHBondContact O-N 2.83Å; V204-R207 WeakPolarHBondContact O-CB 3.36Å; V204-R207 PolarHBondContact O-N 3.29Å; V204-R207 VanDerWaalsContact O-N 3.08Å |
| 205 | R | 72.8 | Confident | 78.2 | Confident | 139 Ų | 139 | 69.3 Ų | 69.3 | 53% | 0.525 | 33% | 0.333 | S | S | . | . | G | 310 helix | trans | -69.1 | -20.2 | 179 | -69.1 | -173.8 | 178.7 | 167.6 | -0.6 | 114.5 | F39 W72 H203 | F39-R205 PolarHBondContact N-O 3.12Å; W72-R205 VanDerWaalsContact CE2-NH1 3.25Å; H203-R205 PolarHBondContact O-N 2.8Å; H203-R205 VanDerWaalsContact O-N 3.1Å |
| 206 | Y | 67.6 | Low | 78.1 | Confident | 22 Ų | 22 | 70.4 Ų | 70.4 | 9% | 0.086 | 34% | 0.341 | C | S | . | . | G | 310 helix | trans | -98.7 | -5.1 | 174.6 | -55.5 | -86.7 | 0 | 0 | 0 | 111.7 | F39 L124 D139 H203 V204 L208 | F39-Y206 HydrophobicContact CB-CD1 3.51Å; F39-Y206 HydrophobicContact CB-CE1 3.77Å; F39-Y206 HydrophobicContact CB-CG 4.43Å; F39-Y206 HydrophobicContact CD2-CE1 4.21Å; F39-Y206 HydrophobicContact CG-CD1 4.23Å; F39-Y206 AromaticContact CG-CE1 3.99Å; F39-Y206 HydrophobicContact CG-CE1 3.99Å; L124-Y206 HydrophobicContact CD2-CE1 3.79Å; D139-Y206 HydrophobicContact CB-CD1 3.7Å; D139-Y206 HydrophobicContact CB-CE1 3.78Å; H203-Y206 HydrophobicContact CB-CD2 3.55Å; H203-Y206 HydrophobicContact CB-CE2 3.96Å; H203-Y206 PolarHBondContact O-N 3.38Å; V204-Y206 PolarHBondContact O-N 2.83Å; Y206-L208 PolarHBondContact O-N 2.8Å |
| 207 | R | 61.5 | Low | 77.9 | Confident | 116 Ų | 116 | 70.6 Ų | 70.6 | 44% | 0.438 | 36% | 0.356 | S | S | . | . | trans | -88.9 | 97.1 | 174.2 | -177.9 | 170.3 | -173.8 | -161.9 | -2.5 | 107.7 | H203 V204 A209 Q211 | H203-R207 PolarHBondContact O-N 2.84Å; V204-R207 WeakPolarHBondContact O-CB 3.36Å; V204-R207 PolarHBondContact O-N 3.29Å; V204-R207 VanDerWaalsContact O-N 3.08Å; R207-A209 PolarHBondContact O-N 3.25Å; R207-Q211 WeakPolarHBondContact CG-O 3.36Å | ||
| 208 | L | 60.8 | Low | 77.8 | Confident | 56 Ų | 56 | 70.9 Ų | 70.9 | 29% | 0.293 | 36% | 0.358 | S | S | . | . | trans | -54.7 | 133.9 | 149.5 | -78.9 | 115.2 | 0 | 0 | 0 | 106.9 | T40 Y206 N210 Q211 | T40-L208 HydrophobicContact CG2-CD1 4.16Å; Y206-L208 PolarHBondContact O-N 2.8Å; L208-N210 PolarHBondContact O-N 2.86Å; L208-Q211 HydrophobicContact CB-CG 4.28Å; L208-Q211 PolarHBondContact O-N 3.37Å | ||
| 209 | A | 49.7 | Very low | 77.6 | Confident | 89 Ų | 89 | 69.5 Ų | 69.5 | 74% | 0.736 | 36% | 0.355 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -48.2 | 114.4 | 176.7 | 0 | 0 | 0 | 0 | 0 | 107.8 | R207 | R207-A209 PolarHBondContact O-N 3.25Š|
| 210 | N | 55.8 | Low | 77.3 | Confident | 152 Ų | 152 | 69.5 Ų | 69.5 | 81% | 0.813 | 36% | 0.355 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 100.7 | 1 | -174.9 | -48.6 | -35.3 | 0 | 0 | 0 | 119 | L208 | L208-N210 PolarHBondContact O-N 2.86Š|
| 211 | Q | 68.8 | Low | 77.3 | Confident | 89 Ų | 89 | 60.6 Ų | 60.6 | 42% | 0.416 | 32% | 0.323 | S | S | . | . | trans | -106.8 | 113 | 177.7 | -64 | -174.7 | -7 | 0 | 0 | 112.5 | R207 L208 | R207-Q211 WeakPolarHBondContact CG-O 3.36Å; L208-Q211 HydrophobicContact CB-CG 4.28Å; L208-Q211 PolarHBondContact O-N 3.37Å | ||
| 212 | T | 85.3 | Confident | 77.3 | Confident | 33 Ų | 33 | 55.7 Ų | 55.7 | 20% | 0.202 | 30% | 0.304 | C | S | . | . | trans | -105.1 | 24.5 | 174.3 | 55.2 | 0 | 0 | 0 | 0 | 111.9 | Y198 S199 | Y198-T212 CarbonylContact C-O 3.6Å; Y198-T212 VanDerWaalsContact CA-O 3.28Å; Y198-T212 WeakPolarHBondContact CA-O 3.34Å; Y198-T212 WeakPolarHBondContact CD2-OG1 3.31Å; Y198-T212 WeakPolarHBondContact CE2-OG1 3.33Å; S199-T212 PolarHBondContact N-O 2.95Å | ||
| 213 | V | 87.7 | Confident | 77.2 | Confident | 53 Ų | 53 | 60.8 Ų | 60.8 | 32% | 0.321 | 34% | 0.335 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.5 | 132.6 | -175.5 | 179 | 0 | 0 | 0 | 0 | 108.2 | F171 Y196 V197 Y198 | F171-V213 HydrophobicContact CE1-CG1 4.24Å; F171-V213 HydrophobicContact CZ-CG1 3.84Å; F171-V213 HydrophobicContact CZ-CG2 4.38Å; Y196-V213 HydrophobicContact CD1-CG1 4Å; Y196-V213 HydrophobicContact CG-CG1 4.24Å; V197-V213 WeakPolarHBondContact O-CA 2.9Å; Y198-V213 HydrophobicContact CD2-CG2 3.85Å |
| 214 | A | 89.2 | Confident | 77.2 | Confident | 4 Ų | 4 | 60.2 Ų | 60.2 | 3% | 0.033 | 34% | 0.343 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.1 | 157.4 | 170.7 | 0 | 0 | 0 | 0 | 0 | 109.6 | Y196 V197 L202 V221 | Y196-A214 CarbonylContact C-O 3.55Å; Y196-A214 WeakPolarHBondContact CA-O 3.23Å; V197-A214 PolarHBondContact N-O 2.96Å; V197-A214 PolarHBondContact O-N 3.49Å; L202-A214 HydrophobicContact CD1-CB 3.84Å; L202-A214 HydrophobicContact CD2-CB 4.16Å; A214-V221 HydrophobicContact CB-CG2 3.99Å |
| 215 | S | 90.6 | Very high | 77.4 | Confident | 0 Ų | 0 | 55.1 Ų | 55.1 | 0% | 0 | 31% | 0.312 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -62.9 | 149.8 | 171.6 | -157.5 | 0 | 0 | 0 | 0 | 111.2 | N41 A43 D141 Q143 C195 G217 S218 V221 | N41-S215 PolarHBondContact ND2-N 3.44Å; N41-S215 WeakPolarHBondContact OD1-CB 3.4Å; N41-S215 PolarHBondContact OD1-N 3.32Å; A43-S215 VanDerWaalsContact CB-OG 3.22Å; A43-S215 WeakPolarHBondContact CB-OG 3.4Å; D141-S215 WeakPolarHBondContact OD2-CB 3.28Å; D141-S215 PolarHBondContact OD2-OG 3.06Å; Q143-S215 PolarHBondContact NE2-OG 3.05Å; C195-S215 PolarHBondContact O-OG 2.86Å; S215-G217 VanDerWaalsContact C-N 3.28Å; S215-G217 PolarHBondContact O-N 3.49Å; S215-S218 WeakPolarHBondContact O-CB 3.08Å; S215-S218 PolarHBondContact O-N 3.44Å; S215-V221 WeakPolarHBondContact O-CG2 3.29Å |
| 216 | C | 88.6 | Confident | 76.8 | Confident | 23 Ų | 23 | 51.8 Ų | 51.8 | 16% | 0.155 | 31% | 0.31 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -63.3 | -30.6 | -174.5 | -67.3 | 0 | 0 | 0 | 0 | 114.2 | C195 Y196 V197 | C195-C216 HydrophobicContact CB-CB 3.67Å; C195-C216 WeakPolarHBondContact CB-SG 3.22Å; C195-C216 PolarHBondContact O-N 3.33Å; C195-C216 VanDerWaalsContact O-N 3.07Å; C195-C216 PolarHBondContact O-SG 2.77Å; C195-C216 WeakPolarHBondContact SG-CB 3.38Å; C195-C216 CovalentContact SG-SG 2.03Å; C195-C216 PolarHBondContact SG-SG 3.28Å; Y196-C216 VanDerWaalsContact C-SG 3.58Å; Y196-C216 PolarHBondContact N-SG 2.78Å; V197-C216 HydrophobicContact CG2-CB 4.38Å |
| 217 | G | 86.8 | Confident | 76.3 | Confident | 49 Ų | 49 | 62.3 Ų | 62.3 | 51% | 0.505 | 35% | 0.35 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -90.8 | 6 | 175.2 | 0 | 0 | 0 | 0 | 0 | 114.6 | D141 S215 | D141-G217 WeakPolarHBondContact OD2-CA 3.43Å; D141-G217 PolarHBondContact OD2-N 3.37Å; S215-G217 VanDerWaalsContact C-N 3.28Å; S215-G217 PolarHBondContact O-N 3.49Å |
| 218 | S | 87.7 | Confident | 76.4 | Confident | 6 Ų | 6 | 57.8 Ų | 57.8 | 4% | 0.042 | 33% | 0.334 | C | S | . | . | trans | -63.4 | 139 | 177.7 | 169.9 | 0 | 0 | 0 | 0 | 112.1 | N41 D139 S215 G220 V221 | N41-S218 WeakPolarHBondContact ND2-CB 3.13Å; D139-S218 WeakPolarHBondContact OD2-CB 3.41Å; D139-S218 PolarHBondContact OD2-OG 3.46Å; S215-S218 WeakPolarHBondContact O-CB 3.08Å; S215-S218 PolarHBondContact O-N 3.44Å; S218-G220 PolarHBondContact O-N 2.99Å; S218-G220 PolarHBondContact OG-N 3.29Å; S218-V221 WeakPolarHBondContact O-CB 3.1Å; S218-V221 PolarHBondContact O-N 2.94Å; S218-V221 VanDerWaalsContact O-N 3.14Å | ||
| 219 | E | 83.5 | Confident | 76.5 | Confident | 58 Ų | 58 | 61.8 Ų | 61.8 | 27% | 0.271 | 36% | 0.355 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -67.9 | -17.1 | 171.3 | -171 | 169.9 | -170.1 | 0 | 0 | 112.4 | W72 V221 | W72-E219 VanDerWaalsContact CB-OE1 3.23Å; W72-E219 WeakPolarHBondContact CB-OE1 3.49Å; W72-E219 VanDerWaalsContact N-CD 3.26Å; W72-E219 PolarHBondContact N-OE1 2.94Å; W72-E219 PolarHBondContact N-OE2 3.31Å; E219-V221 PolarHBondContact O-N 3.42Å |
| 220 | G | 82.8 | Confident | 77.6 | Confident | 0 Ų | 0 | 61.7 Ų | 61.7 | 0% | 0 | 34% | 0.34 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -69.7 | -11.6 | 172.9 | 0 | 0 | 0 | 0 | 0 | 114.2 | H203 S218 | H203-G220 PolarHBondContact N-O 3.07Å; H203-G220 VanDerWaalsContact N-O 3.11Å; S218-G220 PolarHBondContact O-N 2.99Å; S218-G220 PolarHBondContact OG-N 3.29Å |
| 221 | V | 86.2 | Confident | 78.7 | Confident | 13 Ų | 13 | 59.3 Ų | 59.3 | 8% | 0.079 | 32% | 0.324 | C | S | . | . | S | Bend | trans | -87.7 | 122.3 | 177.7 | 177.4 | 0 | 0 | 0 | 0 | 109.7 | V197 L202 A214 S215 S218 E219 F225 | V197-V221 HydrophobicContact CB-CG2 4.39Å; L202-V221 HydrophobicContact CD2-CG2 4.01Å; A214-V221 HydrophobicContact CB-CG2 3.99Å; S215-V221 WeakPolarHBondContact O-CG2 3.29Å; S218-V221 WeakPolarHBondContact O-CB 3.1Å; S218-V221 PolarHBondContact O-N 2.94Å; S218-V221 VanDerWaalsContact O-N 3.14Å; E219-V221 PolarHBondContact O-N 3.42Å; V221-F225 HydrophobicContact CG1-CB 3.76Å; V221-F225 HydrophobicContact CG1-CD2 4.1Å; V221-F225 HydrophobicContact CG1-CG 4.44Å |
| 222 | P | 85.1 | Confident | 79.5 | Confident | 26 Ų | 26 | 55.3 Ų | 55.3 | 17% | 0.169 | 31% | 0.306 | C | S | . | . | trans | -53 | 140.5 | 177.2 | -29.4 | 34.8 | 0 | 0 | 0 | 113.4 | F201 S224 F225 | F201-P222 WeakPolarHBondContact O-CG 3.38Å; P222-S224 PolarHBondContact O-N 3.37Å; P222-S224 VanDerWaalsContact O-N 3.11Å; P222-F225 HydrophobicContact CB-CD2 4.08Å; P222-F225 HydrophobicContact CB-CE2 4.15Å; P222-F225 HydrophobicContact CB-CG 4.27Å; P222-F225 HydrophobicContact CB-CZ 4.4Å; P222-F225 HydrophobicContact CG-CD2 3.93Å; P222-F225 HydrophobicContact CG-CE2 3.68Å; P222-F225 HydrophobicContact CG-CZ 4.16Å; P222-F225 WeakPolarHBondContact O-CA 3.23Å; P222-F225 VanDerWaalsContact O-CB 3.3Å; P222-F225 WeakPolarHBondContact O-CB 3.23Å; P222-F225 PolarHBondContact O-N 3.13Å | ||
| 223 | V | 79.1 | Confident | 79.5 | Confident | 126 Ų | 126 | 57.5 Ų | 57.5 | 76% | 0.764 | 31% | 0.312 | S | S | * | . | G | 310 helix | trans | -60 | -27.5 | -179 | -175.8 | 0 | 0 | 0 | 0 | 112.7 | F225 S226 | V223-F225 PolarHBondContact O-N 3.13Å; V223-F225 VanDerWaalsContact O-N 3.15Å; V223-S226 VanDerWaalsContact CA-OG 3.23Å; V223-S226 WeakPolarHBondContact CA-OG 3.12Å; V223-S226 WeakPolarHBondContact O-CB 3.23Å; V223-S226 PolarHBondContact O-N 2.8Å; V223-S226 PolarHBondContact O-OG 2.67Å |
| 224 | S | 79.1 | Confident | 79.3 | Confident | 95 Ų | 95 | 55.6 Ų | 55.6 | 66% | 0.664 | 30% | 0.301 | S | S | * | . | G | 310 helix | trans | -62.7 | -18.2 | 172.9 | 55.4 | 0 | 0 | 0 | 0 | 113.3 | P222 | P222-S224 PolarHBondContact O-N 3.37Å; P222-S224 VanDerWaalsContact O-N 3.11Å |
| 225 | F | 77.4 | Confident | 79.1 | Confident | 8 Ų | 8 | 56.4 Ų | 56.4 | 4% | 0.035 | 30% | 0.304 | C | S | . | . | G | 310 helix | trans | -94.2 | -4.5 | 174.3 | -53.1 | -12.6 | 0 | 0 | 0 | 111.6 | M167 Y168 F201 V221 P222 V223 R227 I228 | M167-F225 HydrophobicContact CB-CZ 4.39Å; Y168-F225 AromaticContact CD1-CD1 3.52Å; Y168-F225 HydrophobicContact CD1-CD1 3.52Å; Y168-F225 HydrophobicContact CD1-CD2 4.11Å; Y168-F225 AromaticContact CD1-CE1 3.56Å; Y168-F225 HydrophobicContact CD1-CE1 3.56Å; Y168-F225 HydrophobicContact CD1-CE2 4.14Å; Y168-F225 AromaticContact CD1-CG 3.84Å; Y168-F225 HydrophobicContact CD1-CG 3.84Å; Y168-F225 AromaticContact CD1-CZ 3.89Å; Y168-F225 HydrophobicContact CD1-CZ 3.89Å; Y168-F225 HydrophobicContact CE1-CB 4.49Å; Y168-F225 AromaticContact CE1-CD1 3.49Å; Y168-F225 HydrophobicContact CE1-CD1 3.49Å; Y168-F225 VanDerWaalsContact CE1-CD1 3.49Å; Y168-F225 AromaticContact CE1-CE1 3.87Å; Y168-F225 HydrophobicContact CE1-CE1 3.87Å; Y168-F225 AromaticContact CE1-CG 3.99Å; Y168-F225 HydrophobicContact CE1-CG 3.99Å; Y168-F225 HydrophobicContact CG-CD1 4.38Å; Y168-F225 HydrophobicContact CG-CD2 4.23Å; Y168-F225 HydrophobicContact CG-CE2 4.39Å; Y168-F225 HydrophobicContact CG-CG 4.26Å; F201-F225 HydrophobicContact CB-CZ 4.43Å; V221-F225 HydrophobicContact CG1-CB 3.76Å; V221-F225 HydrophobicContact CG1-CD2 4.1Å; V221-F225 HydrophobicContact CG1-CG 4.44Å; P222-F225 HydrophobicContact CB-CD2 4.08Å; P222-F225 HydrophobicContact CB-CE2 4.15Å; P222-F225 HydrophobicContact CB-CG 4.27Å; P222-F225 HydrophobicContact CB-CZ 4.4Å; P222-F225 HydrophobicContact CG-CD2 3.93Å; P222-F225 HydrophobicContact CG-CE2 3.68Å; P222-F225 HydrophobicContact CG-CZ 4.16Å; P222-F225 WeakPolarHBondContact O-CA 3.23Å; P222-F225 VanDerWaalsContact O-CB 3.3Å; P222-F225 WeakPolarHBondContact O-CB 3.23Å; P222-F225 PolarHBondContact O-N 3.13Å; V223-F225 PolarHBondContact O-N 3.13Å; V223-F225 VanDerWaalsContact O-N 3.15Å; F225-R227 PolarHBondContact O-N 2.65Å; F225-I228 HydrophobicContact CB-CD1 3.9Å; F225-I228 WeakPolarHBondContact O-CD1 3.42Å; F225-I228 WeakPolarHBondContact O-CG1 3.38Å; F225-I228 PolarHBondContact O-N 2.85Å |
| 226 | S | 59.3 | Low | 78.9 | Confident | 70 Ų | 70 | 57.5 Ų | 57.5 | 49% | 0.49 | 31% | 0.309 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -66.1 | 0.7 | -174.2 | -59.5 | 0 | 0 | 0 | 0 | 116.5 | V223 I228 | V223-S226 VanDerWaalsContact CA-OG 3.23Å; V223-S226 WeakPolarHBondContact CA-OG 3.12Å; V223-S226 WeakPolarHBondContact O-CB 3.23Å; V223-S226 PolarHBondContact O-N 2.8Å; V223-S226 PolarHBondContact O-OG 2.67Å; S226-I228 PolarHBondContact O-N 2.91Å |
| 227 | R | 58.4 | Low | 78.8 | Confident | 243 Ų | 243 | 60.9 Ų | 60.9 | 92% | 0.917 | 32% | 0.319 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -76.9 | 6.8 | 170.1 | -65.5 | -171.5 | -177.7 | -171.8 | 1.4 | 113.3 | F225 N229 | F225-R227 PolarHBondContact O-N 2.65Å; R227-N229 VanDerWaalsContact C-N 3.29Å; R227-N229 PolarHBondContact O-N 3.37Å; R227-N229 VanDerWaalsContact O-N 3.14Å |
| 228 | I | 63.6 | Low | 79 | Confident | 20 Ų | 20 | 63.7 Ų | 63.7 | 10% | 0.103 | 33% | 0.331 | C | S | . | . | trans | -88.6 | 64.7 | -178.8 | -56.2 | 158.3 | 0 | 0 | 0 | 109.2 | Y168 V170 V197 F225 S226 Q230 | Y168-I228 HydrophobicContact CD2-CD1 3.92Å; Y168-I228 HydrophobicContact CE2-CD1 3.5Å; Y168-I228 HydrophobicContact CE2-CG1 4.05Å; V170-I228 HydrophobicContact CB-CG2 4.12Å; V170-I228 HydrophobicContact CG1-CG2 3.44Å; V170-I228 VanDerWaalsContact CG1-CG2 3.44Å; V170-I228 HydrophobicContact CG2-CB 4.36Å; V170-I228 HydrophobicContact CG2-CD1 3.6Å; V170-I228 HydrophobicContact CG2-CG1 3.76Å; V170-I228 HydrophobicContact CG2-CG2 3.57Å; V197-I228 HydrophobicContact CG2-CD1 3.78Å; F225-I228 HydrophobicContact CB-CD1 3.9Å; F225-I228 WeakPolarHBondContact O-CD1 3.42Å; F225-I228 WeakPolarHBondContact O-CG1 3.38Å; F225-I228 PolarHBondContact O-N 2.85Å; S226-I228 PolarHBondContact O-N 2.91Å; I228-Q230 HydrophobicContact CG2-CB 4.19Å; I228-Q230 PolarHBondContact O-N 3.04Å | ||
| 229 | N | 61.3 | Low | 79.2 | Confident | 140 Ų | 140 | 64.2 Ų | 64.2 | 75% | 0.749 | 34% | 0.335 | S | S | * | . | trans | -80.2 | 69.3 | 168.8 | -76.6 | -3.5 | 0 | 0 | 0 | 109 | R227 | R227-N229 VanDerWaalsContact C-N 3.29Å; R227-N229 PolarHBondContact O-N 3.37Å; R227-N229 VanDerWaalsContact O-N 3.14Å | ||
| 230 | Q | 73.6 | Confident | 79.6 | Confident | 87 Ų | 87 | 68.8 Ų | 68.8 | 41% | 0.407 | 36% | 0.356 | S | S | . | . | trans | -102.6 | 110.9 | 178.1 | -120.9 | 39.3 | -92.1 | 0 | 0 | 110.3 | V162 V170 C195 I228 | V162-Q230 HydrophobicContact CB-CG 4.16Å; V162-Q230 HydrophobicContact CG1-CG 3.58Å; V162-Q230 HydrophobicContact CG2-CG 4.27Å; V170-Q230 HydrophobicContact CG1-CB 4.4Å; C195-Q230 WeakPolarHBondContact CB-O 3.27Å; I228-Q230 HydrophobicContact CG2-CB 4.19Å; I228-Q230 PolarHBondContact O-N 3.04Å | ||
| 231 | E | 78.4 | Confident | 80.1 | Confident | 103 Ų | 103 | 71.9 Ų | 71.9 | 48% | 0.481 | 38% | 0.375 | S | S | . | . | trans | -67.5 | 136.9 | -175.8 | -72.2 | 171.1 | 178.1 | 0 | 0 | 111.5 | P146 | P146-E231 WeakPolarHBondContact CB-OE2 3.37Å; P146-E231 HydrophobicContact CG-CB 3.97Å; P146-E231 HydrophobicContact CG-CG 4.32Å; P146-E231 WeakPolarHBondContact CG-OE2 3.23Å | ||
| 232 | P | 85.2 | Confident | 80.3 | Confident | 5 Ų | 5 | 77.5 Ų | 77.5 | 3% | 0.032 | 41% | 0.409 | C | S | . | . | trans | -61.4 | 160 | 169.2 | 30.8 | -37.1 | 0 | 0 | 0 | 110.5 | Q143 E144 A145 G193 L194 | Q143-P232 HydrophobicContact CB-CB 4.17Å; Q143-P232 HydrophobicContact CB-CG 3.67Å; E144-P232 WeakPolarHBondContact O-CD 3.45Å; E144-P232 VanDerWaalsContact O-CG 3.23Å; E144-P232 WeakPolarHBondContact O-CG 3.35Å; A145-P232 HydrophobicContact CB-CG 3.91Å; G193-P232 CarbonylContact O-C 3.6Å; G193-P232 VanDerWaalsContact O-CA 3.23Å; G193-P232 WeakPolarHBondContact O-CA 3.36Å; G193-P232 VanDerWaalsContact O-CB 3.23Å; G193-P232 WeakPolarHBondContact O-CB 3.2Å; L194-P232 HydrophobicContact CD2-CB 4.13Å | ||
| 233 | K | 85.4 | Confident | 80.4 | Confident | 78 Ų | 78 | 79.5 Ų | 79.5 | 34% | 0.339 | 42% | 0.423 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.5 | 127.7 | -173.5 | -64.3 | -170.1 | 179.8 | -173.4 | 0 | 111.3 | F160 Y174 I192 G193 | F160-K233 HydrophobicContact CE1-CD 4.39Å; F160-K233 HydrophobicContact CZ-CD 3.97Å; Y174-K233 HydrophobicContact CE1-CB 4.03Å; Y174-K233 WeakPolarHBondContact OH-CB 3.11Å; Y174-K233 WeakPolarHBondContact OH-CD 3.16Å; I192-K233 CarbonylContact C-O 3.58Å; G193-K233 PolarHBondContact N-O 3.15Å; G193-K233 PolarHBondContact O-N 2.7Å |
| 234 | V | 84.1 | Confident | 80.6 | Confident | 13 Ų | 13 | 76.3 Ų | 76.3 | 8% | 0.079 | 41% | 0.405 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.5 | 123 | 170.3 | -175.5 | 0 | 0 | 0 | 0 | 108.3 | I45 A145 L148 V190 T328 | I45-V234 HydrophobicContact CD1-CG2 3.4Å; I45-V234 VanDerWaalsContact CD1-CG2 3.4Å; A145-V234 HydrophobicContact CB-CG2 4.12Å; L148-V234 HydrophobicContact CD2-CB 3.94Å; L148-V234 HydrophobicContact CD2-CG1 3.62Å; V190-V234 HydrophobicContact CG1-CG1 3.81Å; V234-T328 HydrophobicContact CG2-CG2 3.98Å |
| 235 | E | 85.2 | Confident | 80.6 | Confident | 21 Ų | 21 | 77.3 Ų | 77.3 | 10% | 0.098 | 41% | 0.409 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.7 | 136.9 | 174.6 | -65.4 | -172.1 | 175 | 0 | 0 | 110 | R151 Y174 W177 V190 R191 | R151-E235 IonicContact NH1-OE1 2.64Å; Y174-E235 HydrophobicContact CE1-CG 4.12Å; Y174-E235 PolarHBondContact OH-OE1 2.95Å; Y174-E235 VanDerWaalsContact OH-OE1 3.08Å; W177-E235 HydrophobicContact CH2-CB 3.92Å; W177-E235 WeakPolarHBondContact CZ3-O 3.41Å; V190-E235 WeakPolarHBondContact CA-O 3.21Å; R191-E235 HydrophobicContact CG-CB 3.91Å; R191-E235 IonicContact CZ-OE2 3.76Å; R191-E235 PolarHBondContact N-O 3.04Å; R191-E235 IonicContact NE-OE2 3.82Å; R191-E235 PolarHBondContact NE-OE2 3.3Å; R191-E235 IonicContact NH2-OE1 2.75Å; R191-E235 IonicContact NH2-OE2 3.64Å; R191-E235 PolarHBondContact NH2-OE2 3.03Å; R191-E235 PolarHBondContact O-N 3.29Å |
| 236 | I | 85.8 | Confident | 80.2 | Confident | 23 Ų | 23 | 85.5 Ų | 85.5 | 12% | 0.118 | 45% | 0.447 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.9 | 141.5 | -180 | -57.4 | 159.1 | 0 | 0 | 0 | 108.1 | L148 E188 Q189 V190 R311 | L148-I236 HydrophobicContact CD1-CD1 4.09Å; L148-I236 HydrophobicContact CD2-CD1 3.72Å; L148-I236 HydrophobicContact CG-CD1 4.33Å; E188-I236 HydrophobicContact CB-CG2 4.02Å; E188-I236 HydrophobicContact CG-CG2 4Å; Q189-I236 WeakPolarHBondContact O-CA 3.27Å; V190-I236 HydrophobicContact CG2-CG1 4.32Å; I236-R311 HydrophobicContact CD1-CB 3.48Å; I236-R311 VanDerWaalsContact CD1-CB 3.48Å; I236-R311 HydrophobicContact CD1-CG 4.5Å; I236-R311 HydrophobicContact CG1-CB 4.45Å |
| 237 | R | 87 | Confident | 80.5 | Confident | 94 Ų | 94 | 86.6 Ų | 86.6 | 36% | 0.355 | 45% | 0.453 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -138.3 | 151.5 | 168.6 | 69.7 | -177.9 | -174 | -177.1 | 0.1 | 110.2 | W177 E188 Q189 | W177-R237 HydrophobicContact CD2-CG 4.47Å; W177-R237 HydrophobicContact CE3-CG 4Å; W177-R237 HydrophobicContact CH2-CB 4.02Å; W177-R237 HydrophobicContact CH2-CG 3.83Å; W177-R237 HydrophobicContact CZ2-CG 4.31Å; W177-R237 HydrophobicContact CZ3-CB 4.2Å; W177-R237 HydrophobicContact CZ3-CG 3.66Å; E188-R237 WeakPolarHBondContact CA-O 3.42Å; Q189-R237 HydrophobicContact CB-CG 3.97Å; Q189-R237 PolarHBondContact N-O 2.75Å; Q189-R237 PolarHBondContact O-N 3.39Å |
| 238 | S | 90.4 | Very high | 80.6 | Confident | 108 Ų | 108 | 80 Ų | 80 | 76% | 0.755 | 44% | 0.444 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -71.3 | 148.4 | 171.3 | 51.6 | 0 | 0 | 0 | 0 | 111.4 | G187 | G187-S238 CarbonylContact O-C 3.59Å; G187-S238 WeakPolarHBondContact O-CA 3.2Å |
| 239 | C | 91.6 | Very high | 80.6 | Confident | 18 Ų | 18 | 82 Ų | 82 | 12% | 0.122 | 46% | 0.458 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -141.3 | 158.5 | 173.3 | 54.6 | 0 | 0 | 0 | 0 | 109.9 | C180 G187 E188 Q189 | C180-C239 WeakPolarHBondContact CA-SG 3.38Å; C180-C239 HydrophobicContact CB-CB 3.98Å; C180-C239 WeakPolarHBondContact CB-SG 3.3Å; C180-C239 WeakPolarHBondContact SG-CB 3.4Å; C180-C239 CovalentContact SG-SG 2.03Å; C180-C239 PolarHBondContact SG-SG 3.39Å; G187-C239 PolarHBondContact N-O 2.87Å; G187-C239 PolarHBondContact O-N 2.85Å; G187-C239 PolarHBondContact O-SG 3.49Å; E188-C239 PolarHBondContact N-SG 3.39Å; E188-C239 VanDerWaalsContact N-SG 3.45Å; Q189-C239 HydrophobicContact CG-CB 3.98Å |
| 240 | Q | 93.4 | Very high | 80.9 | Confident | 154 Ų | 154 | 79.4 Ų | 79.4 | 72% | 0.72 | 45% | 0.449 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -144.5 | 120.1 | 170.8 | -172.8 | 171.3 | -6.8 | 0 | 0 | 107.5 | ||
| 241 | V | 92.6 | Very high | 80.4 | Confident | 65 Ų | 65 | 79.9 Ų | 79.9 | 39% | 0.394 | 46% | 0.462 | S | S | . | . | trans | -133.2 | 148.5 | -176.9 | -61.3 | 0 | 0 | 0 | 0 | 109.8 | C180 R182 C183 G184 | C180-V241 HydrophobicContact CB-CG1 4.06Å; C180-V241 HydrophobicContact CB-CG2 3.7Å; R182-V241 WeakPolarHBondContact O-CG2 3.4Å; C183-V241 CarbonylContact C-O 3.59Å; C183-V241 WeakPolarHBondContact CA-O 3.48Å; C183-V241 HydrophobicContact CB-CG2 4.07Å; G184-V241 PolarHBondContact N-O 3.15Å | ||
| 242 | T | 91.4 | Very high | 79.6 | Confident | 131 Ų | 131 | 83.6 Ų | 83.6 | 80% | 0.804 | 48% | 0.477 | S | S | * | . | P | Polyproline II helix | trans | -73 | 145.8 | 174.9 | 50.3 | 0 | 0 | 0 | 0 | 110.6 | ||
| 243 | C | 87.3 | Confident | 78.6 | Confident | 67 Ų | 67 | 87.3 Ų | 87.3 | 45% | 0.453 | 50% | 0.496 | S | S | . | . | P | Polyproline II helix | trans | -69.3 | 136.9 | 177.2 | -70.4 | 0 | 0 | 0 | 0 | 111.7 | C183 G184 | C183-C243 HydrophobicContact CB-CB 3.89Å; C183-C243 WeakPolarHBondContact CB-SG 3.22Å; C183-C243 PolarHBondContact O-SG 2.9Å; C183-C243 VanDerWaalsContact O-SG 3.42Å; C183-C243 WeakPolarHBondContact SG-CA 3.49Å; C183-C243 WeakPolarHBondContact SG-CB 3.48Å; C183-C243 CovalentContact SG-SG 2.04Å; C183-C243 PolarHBondContact SG-SG 3.33Å; G184-C243 PolarHBondContact N-SG 2.88Å; G184-C243 VanDerWaalsContact N-SG 3.42Å |
| 244 | P | 82.4 | Confident | 77.4 | Confident | 59 Ų | 59 | 86.2 Ų | 86.2 | 38% | 0.383 | 50% | 0.496 | S | S | . | . | P | Polyproline II helix | trans | -62.2 | 149 | 168.1 | 27.6 | -32.3 | 0 | 0 | 0 | 109.4 | R352 | P244-R352 HydrophobicContact CG-CG 4.42Š|
| 245 | P | 78.1 | Confident | 76.4 | Confident | 116 Ų | 116 | 88.4 Ų | 88.4 | 75% | 0.753 | 52% | 0.515 | S | S | * | . | P | Polyproline II helix | trans | -58.3 | 147.2 | 176 | 24.7 | -32.8 | 0 | 0 | 0 | 110.5 | ||
| 246 | E | 69.5 | Low | 75.5 | Confident | 180 Ų | 180 | 92 Ų | 92 | 84% | 0.841 | 53% | 0.534 | S | S | * | . | P | Polyproline II helix | trans | -56.6 | 134.2 | 178.4 | -109.4 | 172.4 | 179.6 | 0 | 0 | 110.1 | S248 | E246-S248 PolarHBondContact O-N 3.4Š|
| 247 | P | 65.1 | Low | 74.3 | Confident | 94 Ų | 94 | 92.3 Ų | 92.3 | 61% | 0.61 | 54% | 0.536 | S | S | * | . | P | Polyproline II helix | trans | -60.1 | 129.6 | 175.2 | 24.5 | -30.5 | 0 | 0 | 0 | 108.8 | ||
| 248 | S | 61.2 | Low | 73.3 | Confident | 103 Ų | 103 | 91.3 Ų | 91.3 | 72% | 0.72 | 55% | 0.547 | S | S | * | . | P | Polyproline II helix | trans | -53.9 | 135.3 | 174.3 | 55.2 | 0 | 0 | 0 | 0 | 109.6 | E246 | E246-S248 PolarHBondContact O-N 3.4Š|
| 249 | P | 64.4 | Low | 72.2 | Confident | 63 Ų | 63 | 94.7 Ų | 94.7 | 41% | 0.409 | 55% | 0.549 | S | S | . | . | P | Polyproline II helix | trans | -56.4 | 139.2 | -178.1 | 20.3 | -30.4 | 0 | 0 | 0 | 110.5 | S251 F264 | P249-S251 PolarHBondContact O-N 2.94Å; P249-F264 HydrophobicContact CB-CE1 4.07Å; P249-F264 HydrophobicContact CB-CZ 3.81Å; P249-F264 HydrophobicContact CG-CE1 4.38Å; P249-F264 HydrophobicContact CG-CE2 4.44Å; P249-F264 HydrophobicContact CG-CZ 4.06Å |
| 250 | P | 67.3 | Low | 71 | Confident | 86 Ų | 86 | 98.2 Ų | 98.2 | 56% | 0.558 | 57% | 0.566 | S | S | * | * | P | Polyproline II helix | trans | -60.3 | 132 | -178.3 | 21.6 | -29.2 | 0 | 0 | 0 | 109.5 | K252 L253 T254 | P250-K252 PolarHBondContact O-N 2.87Å; P250-L253 HydrophobicContact CG-CB 3.86Å; P250-L253 HydrophobicContact CG-CD2 4.4Å; P250-L253 WeakPolarHBondContact O-CA 3.48Å; P250-L253 WeakPolarHBondContact O-CB 3.09Å; P250-L253 PolarHBondContact O-N 3.34Å; P250-T254 PolarHBondContact O-N 2.99Å; P250-T254 VanDerWaalsContact O-N 3.09Å; P250-T254 PolarHBondContact O-OG1 3.21Å |
| 251 | S | 62.1 | Low | 69.2 | Low | 97 Ų | 97 | 94 Ų | 94 | 68% | 0.678 | 56% | 0.564 | S | S | * | * | H | α-helix | trans | -52.3 | -32.3 | -173.2 | 57.1 | 0 | 0 | 0 | 0 | 113.9 | P249 T254 A255 | P249-S251 PolarHBondContact O-N 2.94Å; S251-T254 PolarHBondContact O-N 2.87Å; S251-A255 VanDerWaalsContact O-CB 3.31Å; S251-A255 WeakPolarHBondContact O-CB 3.43Å; S251-A255 PolarHBondContact O-N 3.08Å |
| 252 | K | 63.2 | Low | 67.5 | Low | 181 Ų | 181 | 97.2 Ų | 97.2 | 79% | 0.787 | 57% | 0.57 | S | S | * | * | H | α-helix | trans | -66.6 | -38.4 | 174.9 | -71.1 | -177.1 | 177.5 | -178.5 | 0 | 113.4 | P250 L256 | P250-K252 PolarHBondContact O-N 2.87Å; K252-L256 WeakPolarHBondContact O-CB 3.33Å; K252-L256 PolarHBondContact O-N 2.75Å |
| 253 | L | 63.1 | Low | 65.6 | Low | 83 Ų | 83 | 94.4 Ų | 94.4 | 44% | 0.435 | 56% | 0.556 | S | S | . | * | H | α-helix | trans | -71.6 | -40.5 | 175 | -173.6 | 71.4 | 0 | 0 | 0 | 110.1 | P250 A255 L256 M257 | P250-L253 HydrophobicContact CG-CB 3.86Å; P250-L253 HydrophobicContact CG-CD2 4.4Å; P250-L253 WeakPolarHBondContact O-CA 3.48Å; P250-L253 WeakPolarHBondContact O-CB 3.09Å; P250-L253 PolarHBondContact O-N 3.34Å; L253-A255 VanDerWaalsContact C-N 3.32Å; L253-A255 PolarHBondContact O-N 2.97Å; L253-L256 PolarHBondContact O-N 2.97Å; L253-M257 HydrophobicContact CG-CG 4.4Å; L253-M257 WeakPolarHBondContact O-CB 3.28Å; L253-M257 WeakPolarHBondContact O-CG 3.24Å; L253-M257 PolarHBondContact O-N 3.45Å |
| 254 | T | 61 | Low | 63.6 | Low | 55 Ų | 55 | 96.4 Ų | 96.4 | 34% | 0.337 | 56% | 0.557 | S | S | . | * | H | α-helix | trans | -60.4 | -42.5 | 174.2 | -49.7 | 0 | 0 | 0 | 0 | 111.4 | P250 S251 A258 F264 | P250-T254 PolarHBondContact O-N 2.99Å; P250-T254 VanDerWaalsContact O-N 3.09Å; P250-T254 PolarHBondContact O-OG1 3.21Å; S251-T254 PolarHBondContact O-N 2.87Å; T254-A258 VanDerWaalsContact O-CB 3.28Å; T254-A258 WeakPolarHBondContact O-CB 3.47Å; T254-A258 PolarHBondContact O-N 2.92Å; T254-F264 HydrophobicContact CG2-CE2 4.07Å |
| 255 | A | 62.6 | Low | 61.8 | Low | 59 Ų | 59 | 100.1 Ų | 100.1 | 49% | 0.488 | 58% | 0.579 | S | S | . | * | H | α-helix | trans | -67 | -40.8 | 175.7 | 0 | 0 | 0 | 0 | 0 | 112.6 | S251 L253 A258 F259 | S251-A255 VanDerWaalsContact O-CB 3.31Å; S251-A255 WeakPolarHBondContact O-CB 3.43Å; S251-A255 PolarHBondContact O-N 3.08Å; L253-A255 VanDerWaalsContact C-N 3.32Å; L253-A255 PolarHBondContact O-N 2.97Å; A255-A258 PolarHBondContact O-N 2.48Å; A255-F259 VanDerWaalsContact O-CB 3.28Å; A255-F259 WeakPolarHBondContact O-CB 3.41Å; A255-F259 PolarHBondContact O-N 3.45Å |
| 256 | L | 65.7 | Low | 60 | Low | 96 Ų | 96 | 98.3 Ų | 98.3 | 50% | 0.503 | 57% | 0.568 | S | S | . | * | H | α-helix | trans | -67.3 | -40.2 | 177.2 | -170.6 | 130.7 | 0 | 0 | 0 | 111.9 | K252 L253 F259 L260 | K252-L256 WeakPolarHBondContact O-CB 3.33Å; K252-L256 PolarHBondContact O-N 2.75Å; L253-L256 PolarHBondContact O-N 2.97Å; L256-F259 PolarHBondContact O-N 2.91Å; L256-L260 HydrophobicContact CD2-CD1 3.66Å; L256-L260 HydrophobicContact CG-CD1 4.25Å; L256-L260 WeakPolarHBondContact O-CB 3.46Å; L256-L260 VanDerWaalsContact O-CG 3.25Å; L256-L260 WeakPolarHBondContact O-CG 3.45Å; L256-L260 PolarHBondContact O-N 2.87Å |
| 257 | M | 61.1 | Low | 58.5 | Low | 29 Ų | 29 | 92.2 Ų | 92.2 | 14% | 0.143 | 55% | 0.545 | C | S | . | . | H | α-helix | trans | -67.5 | -41 | 175.4 | -67.6 | -68.5 | -85.1 | 0 | 0 | 111.7 | L253 L260 G261 Y262 F264 | L253-M257 HydrophobicContact CG-CG 4.4Å; L253-M257 WeakPolarHBondContact O-CB 3.28Å; L253-M257 WeakPolarHBondContact O-CG 3.24Å; L253-M257 PolarHBondContact O-N 3.45Å; M257-L260 CarbonylContact O-C 3.58Å; M257-L260 PolarHBondContact O-N 2.84Å; M257-G261 PolarHBondContact O-N 2.99Å; M257-G261 VanDerWaalsContact O-N 3.13Å; M257-Y262 PolarHBondContact O-N 2.03Å; M257-F264 HydrophobicContact CB-CE2 4.5Å; M257-F264 HydrophobicContact CG-CZ 4.4Å |
| 258 | A | 66.5 | Low | 57.3 | Low | 73 Ų | 73 | 93 Ų | 93 | 60% | 0.603 | 55% | 0.551 | S | S | * | * | H | α-helix | trans | -63.3 | -40.8 | 173.4 | 0 | 0 | 0 | 0 | 0 | 112.1 | T254 A255 L260 G261 | T254-A258 VanDerWaalsContact O-CB 3.28Å; T254-A258 WeakPolarHBondContact O-CB 3.47Å; T254-A258 PolarHBondContact O-N 2.92Å; A255-A258 PolarHBondContact O-N 2.48Å; A258-L260 VanDerWaalsContact C-N 3.34Å; A258-G261 PolarHBondContact O-N 2.85Å |
| 259 | F | 65.6 | Low | 56.4 | Low | 179 Ų | 179 | 99.3 Ų | 99.3 | 79% | 0.785 | 56% | 0.558 | S | S | * | * | H | α-helix | trans | -63.4 | -38.7 | 174.8 | 178.6 | -97.3 | 0 | 0 | 0 | 112.5 | A255 L256 G261 | A255-F259 VanDerWaalsContact O-CB 3.28Å; A255-F259 WeakPolarHBondContact O-CB 3.41Å; A255-F259 PolarHBondContact O-N 3.45Å; L256-F259 PolarHBondContact O-N 2.91Å; F259-G261 PolarHBondContact O-N 2.9Å |
| 260 | L | 67.7 | Low | 55.1 | Low | 93 Ų | 93 | 102.2 Ų | 102.2 | 49% | 0.487 | 57% | 0.57 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -81.3 | 2.6 | 177 | -66 | 173.7 | 0 | 0 | 0 | 113.6 | L256 M257 A258 Y262 | L256-L260 HydrophobicContact CD2-CD1 3.66Å; L256-L260 HydrophobicContact CG-CD1 4.25Å; L256-L260 WeakPolarHBondContact O-CB 3.46Å; L256-L260 VanDerWaalsContact O-CG 3.25Å; L256-L260 WeakPolarHBondContact O-CG 3.45Å; L256-L260 PolarHBondContact O-N 2.87Å; M257-L260 CarbonylContact O-C 3.58Å; M257-L260 PolarHBondContact O-N 2.84Å; A258-L260 VanDerWaalsContact C-N 3.34Å; L260-Y262 VanDerWaalsContact C-N 3.31Å; L260-Y262 HydrophobicContact CB-CD2 3.61Å; L260-Y262 HydrophobicContact CB-CE2 3.94Å; L260-Y262 WeakPolarHBondContact O-CD2 3.28Å; L260-Y262 PolarHBondContact O-N 3.28Å |
| 261 | G | 56.3 | Low | 54.1 | Low | 66 Ų | 66 | 101.1 Ų | 101.1 | 68% | 0.68 | 56% | 0.563 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 73.4 | 14.9 | 178.3 | 0 | 0 | 0 | 0 | 0 | 115.1 | M257 A258 F259 | M257-G261 PolarHBondContact O-N 2.99Å; M257-G261 VanDerWaalsContact O-N 3.13Å; A258-G261 PolarHBondContact O-N 2.85Å; F259-G261 PolarHBondContact O-N 2.9Å |
| 262 | Y | 55.3 | Low | 54 | Low | 132 Ų | 132 | 102.1 Ų | 102.1 | 52% | 0.518 | 57% | 0.567 | S | S | . | * | trans | -94.5 | 127.7 | 178.8 | -67.5 | -75.1 | 0 | 0 | 0 | 111.5 | M257 L260 | M257-Y262 PolarHBondContact O-N 2.03Å; L260-Y262 VanDerWaalsContact C-N 3.31Å; L260-Y262 HydrophobicContact CB-CD2 3.61Å; L260-Y262 HydrophobicContact CB-CE2 3.94Å; L260-Y262 WeakPolarHBondContact O-CD2 3.28Å; L260-Y262 PolarHBondContact O-N 3.28Å | ||
| 263 | S | 51.3 | Low | 54 | Low | 72 Ų | 72 | 94.2 Ų | 94.2 | 50% | 0.503 | 53% | 0.534 | S | S | . | . | trans | -87.5 | 141.1 | 166.2 | -63.7 | 0 | 0 | 0 | 0 | 109.7 | V265 S266 | S263-V265 PolarHBondContact O-N 2.79Å; S263-S266 WeakPolarHBondContact O-CB 3.31Å; S263-S266 PolarHBondContact O-N 2.75Å | ||
| 264 | F | 46.5 | Very low | 54.2 | Low | 108 Ų | 108 | 93.5 Ų | 93.5 | 47% | 0.474 | 53% | 0.534 | S | S | . | . | G | 310 helix | trans | -57.2 | -18.6 | 176.9 | -80.2 | -88 | 0 | 0 | 0 | 113.6 | P249 T254 M257 S266 | P249-F264 HydrophobicContact CB-CE1 4.07Å; P249-F264 HydrophobicContact CB-CZ 3.81Å; P249-F264 HydrophobicContact CG-CE1 4.38Å; P249-F264 HydrophobicContact CG-CE2 4.44Å; P249-F264 HydrophobicContact CG-CZ 4.06Å; T254-F264 HydrophobicContact CG2-CE2 4.07Å; M257-F264 HydrophobicContact CB-CE2 4.5Å; M257-F264 HydrophobicContact CG-CZ 4.4Å; F264-S266 VanDerWaalsContact C-N 3.27Å; F264-S266 PolarHBondContact O-N 2.92Å |
| 265 | V | 44.9 | Very low | 54.3 | Low | 138 Ų | 138 | 92.9 Ų | 92.9 | 84% | 0.836 | 54% | 0.535 | S | S | * | . | G | 310 helix | trans | -73.1 | -19.3 | 175.8 | -173.2 | 0 | 0 | 0 | 0 | 112.2 | S263 | S263-V265 PolarHBondContact O-N 2.79Š|
| 266 | S | 38.8 | Very low | 54.6 | Low | 77 Ų | 77 | 95.1 Ų | 95.1 | 54% | 0.538 | 53% | 0.532 | S | S | . | . | G | 310 helix | trans | -105.4 | 4.6 | -164 | -46 | 0 | 0 | 0 | 0 | 114.9 | S263 F264 P268 | S263-S266 WeakPolarHBondContact O-CB 3.31Å; S263-S266 PolarHBondContact O-N 2.75Å; F264-S266 VanDerWaalsContact C-N 3.27Å; F264-S266 PolarHBondContact O-N 2.92Å; S266-P268 WeakPolarHBondContact O-CD 3.34Å |
| 267 | C | 38 | Very low | 54.2 | Low | 52 Ų | 52 | 97.5 Ų | 97.5 | 35% | 0.351 | 54% | 0.538 | S | S | . | . | trans | -124.6 | 79.6 | 179.8 | -140.9 | 0 | 0 | 0 | 0 | 112.8 | W269 L270 | C267-W269 PolarHBondContact O-N 3.14Å; C267-L270 HydrophobicContact CB-CD1 4.43Å | ||
| 268 | P | 41.4 | Very low | 54.3 | Low | 112 Ų | 112 | 100.4 Ų | 100.4 | 73% | 0.727 | 55% | 0.551 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -68.8 | -6.4 | 177.5 | -17.5 | 30.9 | 0 | 0 | 0 | 114.9 | S266 | S266-P268 WeakPolarHBondContact O-CD 3.34Š|
| 269 | W | 40.7 | Very low | 53.7 | Low | 234 Ų | 234 | 101 Ų | 101 | 89% | 0.886 | 55% | 0.549 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -99.8 | -6.2 | -166.1 | -63.4 | 90 | 0 | 0 | 0 | 114.7 | C267 P271 | C267-W269 PolarHBondContact O-N 3.14Å; W269-P271 VanDerWaalsContact O-CD 3.25Å; W269-P271 WeakPolarHBondContact O-CD 3.39Å |
| 270 | L | 38 | Very low | 53.2 | Low | 124 Ų | 124 | 92.8 Ų | 92.8 | 65% | 0.649 | 51% | 0.514 | S | S | * | . | S | Bend | trans | -79.6 | 112.9 | 169.7 | -89.1 | 128.9 | 0 | 0 | 0 | 108.1 | C267 | C267-L270 HydrophobicContact CB-CD1 4.43Š|
| 271 | P | 46.8 | Very low | 52.2 | Low | 64 Ų | 64 | 98.5 Ų | 98.5 | 42% | 0.416 | 53% | 0.529 | S | S | . | . | trans | -58.7 | 138.2 | 173.2 | 25.5 | -32 | 0 | 0 | 0 | 108 | W269 V273 | W269-P271 VanDerWaalsContact O-CD 3.25Å; W269-P271 WeakPolarHBondContact O-CD 3.39Å; P271-V273 WeakPolarHBondContact CB-O 3.34Å; P271-V273 PolarHBondContact O-N 2.9Å | ||
| 272 | P | 59.3 | Low | 52.2 | Low | 117 Ų | 117 | 101.2 Ų | 101.2 | 76% | 0.76 | 52% | 0.519 | S | S | * | . | S | Bend | trans | -62.9 | -7.9 | -177.1 | 22.9 | -32.3 | 0 | 0 | 0 | 113.1 | ||
| 273 | V | 63.8 | Low | 52.1 | Low | 15 Ų | 15 | 96 Ų | 96 | 9% | 0.091 | 50% | 0.502 | C | S | . | . | S | Bend | trans | -140 | 150.9 | 177.3 | -68.5 | 0 | 0 | 0 | 0 | 110.8 | P271 A275 R353 Q356 | P271-V273 WeakPolarHBondContact CB-O 3.34Å; P271-V273 PolarHBondContact O-N 2.9Å; V273-A275 PolarHBondContact O-N 3.25Å; V273-R353 HydrophobicContact CG1-CB 4.28Å; V273-R353 HydrophobicContact CG1-CG 4.07Å; V273-R353 VanDerWaalsContact CG1-O 3.3Å; V273-R353 WeakPolarHBondContact CG1-O 3.36Å; V273-Q356 HydrophobicContact CG2-CB 3.95Å |
| 274 | P | 68.1 | Low | 52.5 | Low | 68 Ų | 68 | 98.5 Ų | 98.5 | 44% | 0.442 | 51% | 0.509 | S | S | . | . | trans | -57.5 | 135.5 | 174.1 | 23.3 | -34.2 | 0 | 0 | 0 | 111.6 | Y276 A354 A355 Q356 | P274-Y276 HydrophobicContact CB-CE2 3.72Å; P274-Y276 HydrophobicContact CG-CE2 3.94Å; P274-A354 WeakPolarHBondContact CD-O 3.37Å; P274-A354 WeakPolarHBondContact CG-O 3.38Å; P274-A355 WeakPolarHBondContact O-CA 3.21Å; P274-Q356 PolarHBondContact O-N 2.91Å | ||
| 275 | A | 63.1 | Low | 53.3 | Low | 43 Ų | 43 | 94.4 Ų | 94.4 | 36% | 0.355 | 50% | 0.497 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -102 | 126.2 | 179.8 | 0 | 0 | 0 | 0 | 0 | 110.8 | V273 Q356 | V273-A275 PolarHBondContact O-N 3.25Å; A275-Q356 CarbonylContact C-O 3.42Å; A275-Q356 VanDerWaalsContact CA-O 3.28Å; A275-Q356 WeakPolarHBondContact CA-O 3.06Å; A275-Q356 HydrophobicContact CB-CB 4.48Å |
| 276 | Y | 68 | Low | 54.7 | Low | 106 Ų | 106 | 91.4 Ų | 91.4 | 42% | 0.416 | 48% | 0.479 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.6 | 139.6 | 178.4 | -61.4 | -91.7 | 0 | 0 | 0 | 110 | P274 P292 A355 Q356 I357 R358 | P274-Y276 HydrophobicContact CB-CE2 3.72Å; P274-Y276 HydrophobicContact CG-CE2 3.94Å; Y276-P292 HydrophobicContact CD2-CG 3.73Å; Y276-P292 HydrophobicContact CE1-CG 4.38Å; Y276-P292 HydrophobicContact CE2-CB 3.83Å; Y276-P292 HydrophobicContact CE2-CG 3.55Å; Y276-P292 HydrophobicContact CG-CG 4.22Å; Y276-A355 HydrophobicContact CD2-CB 4Å; Y276-A355 HydrophobicContact CE2-CB 3.91Å; Y276-Q356 PolarHBondContact N-O 3.03Å; Y276-I357 CarbonylContact O-C 3.58Å; Y276-I357 WeakPolarHBondContact O-CA 3.28Å; Y276-R358 PolarHBondContact O-N 3.46Å |
| 277 | F | 58.2 | Low | 56.6 | Low | 145 Ų | 145 | 88 Ų | 88 | 64% | 0.636 | 46% | 0.455 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -103 | 124 | 173.4 | -70.8 | -93.7 | 0 | 0 | 0 | 108.7 | P279 R358 | F277-P279 WeakPolarHBondContact O-CD 3.44Å; F277-R358 HydrophobicContact CD1-CB 3.95Å; F277-R358 HydrophobicContact CE1-CB 4.17Å; F277-R358 VanDerWaalsContact CE1-CD 3.41Å; F277-R358 HydrophobicContact CE1-CG 4.36Å |
| 278 | H | 63.2 | Low | 58.6 | Low | 91 Ų | 91 | 88 Ų | 88 | 42% | 0.421 | 45% | 0.453 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.8 | 90.8 | 178.7 | -146.5 | -62.3 | 0 | 0 | 0 | 109 | L289 I357 R358 L360 | H278-L289 HydrophobicContact CB-CD2 4.24Å; H278-I357 HydrophobicContact CB-CG2 4.1Å; H278-R358 PolarHBondContact N-O 3.39Å; H278-L360 PolarHBondContact O-N 2.87Å |
| 279 | P | 52.6 | Low | 60.6 | Low | 86 Ų | 86 | 82.7 Ų | 82.7 | 56% | 0.558 | 42% | 0.419 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -70.2 | 130.5 | 174.2 | 27.8 | -30.8 | 0 | 0 | 0 | 109.3 | F277 | F277-P279 WeakPolarHBondContact O-CD 3.44Å |
| 280 | C | 55.6 | Low | 62.6 | Low | 6 Ų | 6 | 73.4 Ų | 73.4 | 4% | 0.041 | 40% | 0.396 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.4 | 119.6 | 174.9 | -174.1 | 0 | 0 | 0 | 0 | 110 | V287 L359 L360 V361 Y362 | C280-V287 WeakPolarHBondContact SG-CG2 3.36Å; C280-L359 HydrophobicContact CB-CD1 4.26Å; C280-L360 WeakPolarHBondContact CB-O 3.47Å; C280-L360 PolarHBondContact N-O 2.79Å; C280-V361 HydrophobicContact CB-CG2 4.32Å; C280-Y362 WeakPolarHBondContact O-CD2 3.3Å; C280-Y362 PolarHBondContact O-N 2.93Å |
| 281 | W | 47.2 | Very low | 64.8 | Low | 212 Ų | 212 | 68 Ų | 68 | 80% | 0.803 | 37% | 0.369 | S | S | * | . | trans | -89.8 | -2.9 | -167.7 | -151 | -87.8 | 0 | 0 | 0 | 114.7 | ||||
| 282 | Y | 55.5 | Low | 66.5 | Low | 123 Ų | 123 | 67 Ų | 67 | 48% | 0.482 | 36% | 0.362 | S | S | . | . | trans | -135.6 | 121.6 | -175.1 | 42.4 | -93.5 | 0 | 0 | 0 | 112.2 | V287 | Y282-V287 HydrophobicContact CE2-CG2 4.05Š| ||
| 283 | T | 53.4 | Low | 67.3 | Low | 24 Ų | 24 | 64.6 Ų | 64.6 | 15% | 0.147 | 36% | 0.358 | C | S | . | . | S | Bend | trans | -71.7 | 151.9 | 154.9 | 40.5 | 0 | 0 | 0 | 0 | 109.8 | G285 V361 Y362 H364 | T283-G285 VanDerWaalsContact C-N 3.28Å; T283-G285 PolarHBondContact O-N 3.24Å; T283-V361 HydrophobicContact CG2-CG1 4.03Å; T283-Y362 VanDerWaalsContact CG2-O 3.31Å; T283-Y362 WeakPolarHBondContact CG2-O 3.41Å; T283-H364 WeakPolarHBondContact OG1-CB 3.42Å; T283-H364 PolarHBondContact OG1-N 3Å |
| 284 | D | 59 | Low | 68.1 | Low | 124 Ų | 124 | 65.9 Ų | 65.9 | 66% | 0.663 | 37% | 0.371 | S | S | * | . | S | Bend | trans | 77.8 | -3.7 | 176.7 | -51.1 | -42.2 | 0 | 0 | 0 | 116.7 | A337 | D284-A337 PolarHBondContact N-O 3.24Š|
| 285 | G | 64.6 | Low | 68.5 | Low | 21 Ų | 21 | 70.7 Ų | 70.7 | 22% | 0.216 | 38% | 0.38 | C | S | . | . | S | Bend | trans | -89.1 | 166.9 | 169.7 | 0 | 0 | 0 | 0 | 0 | 114 | T283 A337 | T283-G285 VanDerWaalsContact C-N 3.28Å; T283-G285 PolarHBondContact O-N 3.24Å; G285-A337 PolarHBondContact O-N 2.77Å; G285-A337 VanDerWaalsContact O-N 3.08Å |
| 286 | V | 74.1 | Confident | 68.8 | Low | 75 Ų | 75 | 71.5 Ų | 71.5 | 46% | 0.455 | 38% | 0.381 | S | S | . | . | trans | -79.5 | 123.3 | 170.8 | -175.7 | 0 | 0 | 0 | 0 | 108.9 | V333 F334 N335 | V286-V333 HydrophobicContact CG1-CG1 3.73Å; V286-F334 VanDerWaalsContact CA-O 3.28Å; V286-F334 WeakPolarHBondContact CA-O 3.25Å; V286-N335 HydrophobicContact CG2-CB 4.26Å | ||
| 287 | V | 78.7 | Confident | 69.1 | Low | 6 Ų | 6 | 72.3 Ų | 72.3 | 4% | 0.036 | 39% | 0.393 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.5 | 133.9 | 176.1 | 179.8 | 0 | 0 | 0 | 0 | 108.3 | C280 Y282 V333 F334 A337 L359 | C280-V287 WeakPolarHBondContact SG-CG2 3.36Å; Y282-V287 HydrophobicContact CE2-CG2 4.05Å; V287-V333 CarbonylContact O-C 3.46Å; V287-V333 WeakPolarHBondContact O-CA 3.32Å; V287-F334 HydrophobicContact CB-CB 4.19Å; V287-F334 HydrophobicContact CB-CD2 4.09Å; V287-F334 HydrophobicContact CB-CG 4.48Å; V287-F334 HydrophobicContact CG1-CD2 4.2Å; V287-F334 PolarHBondContact N-O 2.79Å; V287-F334 WeakPolarHBondContact O-CD2 3.21Å; V287-F334 PolarHBondContact O-N 3.18Å; V287-A337 HydrophobicContact CB-CB 4.03Å; V287-A337 HydrophobicContact CG2-CB 3.41Å; V287-A337 VanDerWaalsContact CG2-CB 3.41Å; V287-L359 HydrophobicContact CG1-CD1 4.41Å |
| 288 | T | 80.2 | Confident | 70.3 | Confident | 52 Ų | 52 | 67.3 Ų | 67.3 | 32% | 0.319 | 37% | 0.372 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -127 | 122.8 | -179.7 | -58.8 | 0 | 0 | 0 | 0 | 109.2 | H331 L332 V333 | T288-H331 HydrophobicContact CG2-CB 3.37Å; T288-L332 CarbonylContact C-O 3.47Å; T288-L332 WeakPolarHBondContact CA-O 3.18Å; T288-V333 HydrophobicContact CG2-CG2 4.07Å |
| 289 | L | 81.8 | Confident | 71.5 | Confident | 1 Ų | 1 | 63.2 Ų | 63.2 | 1% | 0.005 | 35% | 0.353 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.6 | 124.6 | 174.6 | -63.1 | 179 | 0 | 0 | 0 | 110.2 | H278 W302 H331 L332 F334 Y345 L359 | H278-L289 HydrophobicContact CB-CD2 4.24Å; L289-W302 HydrophobicContact CB-CH2 3.85Å; L289-W302 HydrophobicContact CB-CZ2 4.36Å; L289-W302 HydrophobicContact CB-CZ3 4.34Å; L289-W302 VanDerWaalsContact O-CZ2 3.27Å; L289-W302 WeakPolarHBondContact O-CZ2 2.99Å; L289-H331 WeakPolarHBondContact O-CA 3.41Å; L289-H331 WeakPolarHBondContact O-CB 3.5Å; L289-L332 HydrophobicContact CB-CB 4.28Å; L289-L332 HydrophobicContact CD1-CD2 4.42Å; L289-L332 PolarHBondContact N-O 3.23Å; L289-L332 PolarHBondContact O-N 2.88Å; L289-F334 HydrophobicContact CD1-CE2 3.83Å; L289-F334 HydrophobicContact CD1-CZ 4.25Å; L289-F334 HydrophobicContact CG-CE2 4.04Å; L289-Y345 HydrophobicContact CD1-CD2 4.46Å; L289-L359 HydrophobicContact CD1-CB 4.49Å; L289-L359 HydrophobicContact CD1-CD2 4.29Å; L289-L359 HydrophobicContact CD2-CD1 4.29Å |
| 290 | G | 83.9 | Confident | 73.4 | Confident | 39 Ų | 39 | 59.2 Ų | 59.2 | 40% | 0.402 | 33% | 0.327 | S | S | . | . | P | Polyproline II helix | trans | -95.9 | 146 | 168.6 | 0 | 0 | 0 | 0 | 0 | 111.3 | P292 | G290-P292 WeakPolarHBondContact O-CD 3.22Š|
| 291 | C | 84.1 | Confident | 75.1 | Confident | 11 Ų | 11 | 59 Ų | 59 | 7% | 0.074 | 33% | 0.326 | C | S | . | . | P | Polyproline II helix | trans | -82 | 124.3 | 173.4 | -176.6 | 0 | 0 | 0 | 0 | 109.7 | G293 A294 V300 W302 C347 L349 | C291-G293 PolarHBondContact O-N 3.28Å; C291-A294 HydrophobicContact CB-CB 4.29Å; C291-A294 VanDerWaalsContact O-CB 3.22Å; C291-A294 WeakPolarHBondContact O-CB 3.44Å; C291-A294 PolarHBondContact O-N 2.9Å; C291-A294 VanDerWaalsContact O-N 3.15Å; C291-V300 HydrophobicContact CB-CG1 3.53Å; C291-V300 HydrophobicContact CB-CG2 4.38Å; C291-W302 HydrophobicContact CB-CH2 4.31Å; C291-W302 HydrophobicContact CB-CZ2 4.04Å; C291-C347 HydrophobicContact CB-CB 3.52Å; C291-C347 WeakPolarHBondContact CB-SG 3.48Å; C291-C347 WeakPolarHBondContact SG-CB 3.29Å; C291-C347 CovalentContact SG-SG 2.04Å; C291-C347 PolarHBondContact SG-SG 3.43Å; C291-L349 HydrophobicContact CB-CD2 4.13Å; C291-L349 WeakPolarHBondContact SG-CD2 3.34Å; C291-L349 VanDerWaalsContact SG-CG 3.59Å |
| 292 | P | 83.1 | Confident | 77.3 | Confident | 42 Ų | 42 | 48.9 Ų | 48.9 | 27% | 0.273 | 29% | 0.287 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -56.8 | 132.2 | 178.5 | -26.4 | 35.5 | 0 | 0 | 0 | 112 | Y276 G290 A294 A355 | Y276-P292 HydrophobicContact CD2-CG 3.73Å; Y276-P292 HydrophobicContact CE1-CG 4.38Å; Y276-P292 HydrophobicContact CE2-CB 3.83Å; Y276-P292 HydrophobicContact CE2-CG 3.55Å; Y276-P292 HydrophobicContact CG-CG 4.22Å; G290-P292 WeakPolarHBondContact O-CD 3.22Å; P292-A294 VanDerWaalsContact C-N 3.27Å; P292-A294 PolarHBondContact O-N 3Å; P292-A355 HydrophobicContact CG-CB 4.09Å |
| 293 | G | 75.5 | Confident | 79.1 | Confident | 66 Ų | 66 | 43.5 Ų | 43.5 | 68% | 0.68 | 27% | 0.267 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 78.8 | 0.9 | -180 | 0 | 0 | 0 | 0 | 0 | 115.4 | C291 R295 | C291-G293 PolarHBondContact O-N 3.28Å; G293-R295 PolarHBondContact O-N 3.48Å |
| 294 | A | 80.8 | Confident | 80.9 | Confident | 43 Ų | 43 | 45.8 Ų | 45.8 | 36% | 0.355 | 28% | 0.276 | S | S | . | . | trans | -63.2 | 132.2 | 171.8 | 0 | 0 | 0 | 0 | 0 | 110.9 | C291 P292 V300 L349 | C291-A294 HydrophobicContact CB-CB 4.29Å; C291-A294 VanDerWaalsContact O-CB 3.22Å; C291-A294 WeakPolarHBondContact O-CB 3.44Å; C291-A294 PolarHBondContact O-N 2.9Å; C291-A294 VanDerWaalsContact O-N 3.15Å; P292-A294 VanDerWaalsContact C-N 3.27Å; P292-A294 PolarHBondContact O-N 3Å; A294-V300 HydrophobicContact CB-CG2 4.03Å; A294-L349 HydrophobicContact CB-CD2 3.78Å | ||
| 295 | R | 76.1 | Confident | 82.3 | Confident | 169 Ų | 169 | 41.5 Ų | 41.5 | 64% | 0.638 | 26% | 0.261 | S | S | * | . | trans | -100.6 | 157.6 | 168.3 | -58.4 | -172.9 | -172.7 | 178.6 | -1.4 | 110.1 | G293 N297 M298 | G293-R295 PolarHBondContact O-N 3.48Å; R295-N297 WeakPolarHBondContact CB-OD1 3.44Å; R295-N297 PolarHBondContact O-N 2.86Å; R295-M298 HydrophobicContact CB-CE 4.27Å; R295-M298 HydrophobicContact CB-CG 3.97Å; R295-M298 HydrophobicContact CB-SD 4Å; R295-M298 HydrophobicContact CG-CE 3.97Å; R295-M298 HydrophobicContact CG-SD 4.06Å; R295-M298 WeakPolarHBondContact O-CB 3.48Å; R295-M298 PolarHBondContact O-N 2.93Å | ||
| 296 | P | 70.1 | Confident | 83.3 | Confident | 59 Ų | 59 | 45.7 Ų | 45.7 | 38% | 0.383 | 29% | 0.287 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -53.5 | -27.6 | -178.9 | -30.7 | 36.6 | 0 | 0 | 0 | 116.1 | T49 | T49-P296 HydrophobicContact CG2-CG 4.2Å; T49-P296 WeakPolarHBondContact O-CB 3.41Å; T49-P296 VanDerWaalsContact O-CG 3.3Å; T49-P296 WeakPolarHBondContact O-CG 3.5Å |
| 297 | N | 73.1 | Confident | 84.1 | Confident | 123 Ų | 123 | 47.1 Ų | 47.1 | 66% | 0.658 | 29% | 0.292 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -93.1 | -1.1 | -179 | 65.8 | -21.3 | 0 | 0 | 0 | 113.8 | R295 | R295-N297 WeakPolarHBondContact CB-OD1 3.44Å; R295-N297 PolarHBondContact O-N 2.86Å |
| 298 | M | 83.9 | Confident | 84.6 | Confident | 40 Ų | 40 | 49 Ų | 49 | 20% | 0.197 | 30% | 0.304 | C | S | . | . | S | Bend | trans | -92.1 | 142.7 | -179.1 | -63.5 | -176.3 | 169 | 0 | 0 | 110.9 | R295 H330 Q350 | R295-M298 HydrophobicContact CB-CE 4.27Å; R295-M298 HydrophobicContact CB-CG 3.97Å; R295-M298 HydrophobicContact CB-SD 4Å; R295-M298 HydrophobicContact CG-CE 3.97Å; R295-M298 HydrophobicContact CG-SD 4.06Å; R295-M298 WeakPolarHBondContact O-CB 3.48Å; R295-M298 PolarHBondContact O-N 2.93Å; M298-H330 PolarHBondContact O-CD2 3.49Å; M298-H330 PolarHBondContact O-NE2 2.04Å; M298-Q350 HydrophobicContact CB-CG 4.3Å; M298-Q350 HydrophobicContact CG-CG 4.34Å |
| 299 | V | 88.8 | Confident | 85.1 | Confident | 5 Ų | 5 | 47.2 Ų | 47.2 | 3% | 0.03 | 29% | 0.293 | C | S | . | . | trans | -84.1 | 136.8 | 170.7 | 68.5 | 0 | 0 | 0 | 0 | 109.8 | V179 D181 Q350 | V179-V299 HydrophobicContact CG2-CG1 3.52Å; D181-V299 HydrophobicContact CB-CG1 4.4Å; D181-V299 HydrophobicContact CB-CG2 3.88Å; V299-Q350 PolarHBondContact O-N 3.33Å; V299-Q350 VanDerWaalsContact O-N 3.14Å | ||
| 300 | V | 91.6 | Very high | 85.4 | Confident | 3 Ų | 3 | 49.2 Ų | 49.2 | 2% | 0.018 | 30% | 0.301 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.8 | 131.3 | 174.7 | -165.3 | 0 | 0 | 0 | 0 | 111.2 | C291 A294 W302 H330 C347 W348 L349 | C291-V300 HydrophobicContact CB-CG1 3.53Å; C291-V300 HydrophobicContact CB-CG2 4.38Å; A294-V300 HydrophobicContact CB-CG2 4.03Å; V300-W302 HydrophobicContact CG1-CZ2 4.47Å; V300-H330 HydrophobicContact CB-CB 3.68Å; V300-H330 HydrophobicContact CG2-CB 3.62Å; V300-C347 HydrophobicContact CG1-CB 4.15Å; V300-W348 WeakPolarHBondContact CA-O 3.44Å; V300-W348 WeakPolarHBondContact CG1-O 3.38Å; V300-L349 HydrophobicContact CB-CD2 4.45Å; V300-L349 HydrophobicContact CG1-CD2 4.24Å; V300-L349 HydrophobicContact CG2-CD2 3.73Å |
| 301 | G | 92.4 | Very high | 85.5 | Confident | 0 Ų | 0 | 47.9 Ų | 47.9 | 0% | 0 | 28% | 0.283 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.1 | 153.8 | 168.1 | 0 | 0 | 0 | 0 | 0 | 111.2 | C347 W348 | G301-C347 CarbonylContact O-C 3.5Å; G301-C347 WeakPolarHBondContact O-CA 3.34Å; G301-W348 PolarHBondContact N-O 2.6Å; G301-W348 PolarHBondContact O-N 3.25Å |
| 302 | W | 93.1 | Very high | 85.1 | Confident | 0 Ų | 0 | 49.8 Ų | 49.8 | 0% | 0 | 30% | 0.297 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.8 | 129.9 | -175.1 | -73.8 | 98.3 | 0 | 0 | 0 | 112.1 | R182 L289 C291 V300 I309 I326 H330 L332 Y346 C347 I357 | R182-W302 VanDerWaalsContact NH2-C 3.31Å; R182-W302 PolarHBondContact NH2-O 3.35Å; L289-W302 HydrophobicContact CB-CH2 3.85Å; L289-W302 HydrophobicContact CB-CZ2 4.36Å; L289-W302 HydrophobicContact CB-CZ3 4.34Å; L289-W302 VanDerWaalsContact O-CZ2 3.27Å; L289-W302 WeakPolarHBondContact O-CZ2 2.99Å; C291-W302 HydrophobicContact CB-CH2 4.31Å; C291-W302 HydrophobicContact CB-CZ2 4.04Å; V300-W302 HydrophobicContact CG1-CZ2 4.47Å; W302-I309 HydrophobicContact CB-CB 4.46Å; W302-I309 HydrophobicContact CB-CD1 4.48Å; W302-I309 WeakPolarHBondContact O-CA 3.44Å; W302-I309 WeakPolarHBondContact O-CB 3.16Å; W302-I309 PolarHBondContact O-N 2.06Å; W302-I326 HydrophobicContact CB-CD1 4.15Å; W302-I326 HydrophobicContact CG-CD1 4.46Å; W302-H330 PolarHBondContact NE1-O 3.32Å; W302-L332 HydrophobicContact CB-CD1 4.46Å; W302-L332 HydrophobicContact CB-CD2 4.45Å; W302-L332 HydrophobicContact CD2-CB 3.79Å; W302-L332 HydrophobicContact CD2-CD2 4.17Å; W302-L332 HydrophobicContact CE3-CB 4.27Å; W302-L332 HydrophobicContact CE3-CD2 4.03Å; W302-L332 HydrophobicContact CG-CB 4.02Å; W302-L332 HydrophobicContact CG-CD1 4.48Å; W302-L332 HydrophobicContact CG-CD2 4.37Å; W302-L332 HydrophobicContact CZ2-CB 4.21Å; W302-Y346 CarbonylContact C-O 3.56Å; W302-Y346 WeakPolarHBondContact CA-O 3.07Å; W302-C347 HydrophobicContact CD2-CB 4.21Å; W302-C347 HydrophobicContact CE3-CB 3.89Å; W302-C347 HydrophobicContact CH2-CB 3.9Å; W302-C347 HydrophobicContact CZ2-CB 4.2Å; W302-C347 HydrophobicContact CZ3-CB 3.73Å; W302-I357 HydrophobicContact CH2-CD1 3.74Å; W302-I357 HydrophobicContact CZ3-CD1 3.82Å |
| 303 | D | 92.5 | Very high | 84.4 | Confident | 11 Ų | 11 | 53.5 Ų | 53.5 | 6% | 0.059 | 31% | 0.311 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119 | 144.3 | 174 | -56.3 | -14.4 | 0 | 0 | 0 | 109.9 | R182 N307 P308 Y345 Y346 W348 | R182-D303 IonicContact CZ-OD1 3.28Å; R182-D303 IonicContact NE-OD1 3.61Å; R182-D303 PolarHBondContact NE-OD1 2.95Å; R182-D303 IonicContact NH2-OD1 2.95Å; R182-D303 PolarHBondContact NH2-OD1 2.9Å; D303-N307 CarbonylContact C-O 3.59Å; D303-N307 WeakPolarHBondContact CA-O 3.03Å; D303-P308 WeakPolarHBondContact OD1-CA 3.43Å; D303-Y345 CarbonylContact O-C 3.49Å; D303-Y345 WeakPolarHBondContact O-CA 3.4Å; D303-Y346 PolarHBondContact N-O 2.92Å; D303-Y346 PolarHBondContact O-N 2.94Å; D303-W348 PolarHBondContact OD2-NE1 3.31Å |
| 304 | Q | 91.6 | Very high | 83.5 | Confident | 72 Ų | 72 | 54.1 Ų | 54.1 | 34% | 0.336 | 29% | 0.294 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.6 | 105.9 | 168.2 | -174.1 | -178.3 | 18.4 | 0 | 0 | 108.2 | S306 N307 I309 Y345 | Q304-S306 PolarHBondContact O-N 2.9Å; Q304-S306 VanDerWaalsContact O-N 3.16Å; Q304-N307 PolarHBondContact N-O 2.75Å; Q304-N307 WeakPolarHBondContact O-CB 3.4Å; Q304-N307 PolarHBondContact O-N 3.5Å; Q304-I309 HydrophobicContact CB-CD1 4.22Å; Q304-I309 HydrophobicContact CB-CG1 4.49Å; Q304-Y345 HydrophobicContact CB-CD1 4.16Å; Q304-Y345 HydrophobicContact CB-CE1 3.89Å; Q304-Y345 HydrophobicContact CG-CD1 4.35Å; Q304-Y345 HydrophobicContact CG-CE1 3.79Å; Q304-Y345 PolarHBondContact NE2-OH 3.15Å |
| 305 | G | 87.8 | Confident | 82.1 | Confident | 34 Ų | 34 | 55.3 Ų | 55.3 | 35% | 0.351 | 30% | 0.297 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 59.3 | -116.5 | -169.8 | 0 | 0 | 0 | 0 | 0 | 110.9 | V344 Y346 | G305-V344 PolarHBondContact N-O 3.14Å; G305-Y346 VanDerWaalsContact O-CD2 3.31Å; G305-Y346 WeakPolarHBondContact O-CD2 3.38Å; G305-Y346 WeakPolarHBondContact O-CE2 3.32Å |
| 306 | S | 86.3 | Confident | 80.4 | Confident | 108 Ų | 108 | 50.6 Ų | 50.6 | 76% | 0.755 | 29% | 0.291 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -93.7 | -6.1 | 174.4 | 56 | 0 | 0 | 0 | 0 | 114.1 | Q304 P308 | Q304-S306 PolarHBondContact O-N 2.9Å; Q304-S306 VanDerWaalsContact O-N 3.16Å; S306-P308 WeakPolarHBondContact O-CD 3.28Å |
| 307 | N | 90.1 | Very high | 79 | Confident | 106 Ų | 106 | 54.2 Ų | 54.2 | 57% | 0.567 | 31% | 0.314 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -93.4 | 116.5 | -173.2 | -64.1 | -28.7 | 0 | 0 | 0 | 110.1 | D303 Q304 | D303-N307 CarbonylContact C-O 3.59Å; D303-N307 WeakPolarHBondContact CA-O 3.03Å; Q304-N307 PolarHBondContact N-O 2.75Å; Q304-N307 WeakPolarHBondContact O-CB 3.4Å; Q304-N307 PolarHBondContact O-N 3.5Å |
| 308 | P | 90.3 | Very high | 77.8 | Confident | 45 Ų | 45 | 51.2 Ų | 51.2 | 29% | 0.292 | 31% | 0.312 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -70.6 | 137.1 | 177.5 | 28.3 | -33.1 | 0 | 0 | 0 | 110.9 | D303 S306 Y310 | D303-P308 WeakPolarHBondContact OD1-CA 3.43Å; S306-P308 WeakPolarHBondContact O-CD 3.28Å; P308-Y310 HydrophobicContact CB-CE1 4.2Å; P308-Y310 HydrophobicContact CB-CE2 3.88Å; P308-Y310 HydrophobicContact CG-CE2 3.56Å; P308-Y310 VanDerWaalsContact CG-OH 3.31Å; P308-Y310 WeakPolarHBondContact CG-OH 3.47Å |
| 309 | I | 90.8 | Very high | 76.1 | Confident | 15 Ų | 15 | 55 Ų | 55 | 8% | 0.077 | 33% | 0.333 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.7 | 117.6 | 170.6 | -52.2 | 175.3 | 0 | 0 | 0 | 107.3 | R182 W302 Q304 I326 L332 Y345 | R182-I309 PolarHBondContact NH2-O 3.49Å; W302-I309 HydrophobicContact CB-CB 4.46Å; W302-I309 HydrophobicContact CB-CD1 4.48Å; W302-I309 WeakPolarHBondContact O-CA 3.44Å; W302-I309 WeakPolarHBondContact O-CB 3.16Å; W302-I309 PolarHBondContact O-N 2.06Å; Q304-I309 HydrophobicContact CB-CD1 4.22Å; Q304-I309 HydrophobicContact CB-CG1 4.49Å; I309-I326 HydrophobicContact CB-CD1 4.49Å; I309-I326 HydrophobicContact CG2-CD1 4.19Å; I309-I326 HydrophobicContact CG2-CG1 4.32Å; I309-L332 HydrophobicContact CD1-CD1 3.98Å; I309-L332 HydrophobicContact CD1-CD2 4.13Å; I309-Y345 HydrophobicContact CD1-CD1 4.49Å; I309-Y345 HydrophobicContact CD1-CE1 4.32Å |
| 310 | Y | 88.1 | Confident | 74.4 | Confident | 43 Ų | 43 | 62.1 Ų | 62.1 | 17% | 0.169 | 36% | 0.364 | C | S | . | . | P | Polyproline II helix | trans | -101.7 | 149.7 | 176.3 | -61.1 | -68.9 | 0 | 0 | 0 | 111.7 | P186 E188 P308 E313 | P186-Y310 WeakPolarHBondContact O-CE1 3.22Å; P186-Y310 PolarHBondContact O-OH 2.76Å; P186-Y310 VanDerWaalsContact O-OH 3.14Å; E188-Y310 HydrophobicContact CG-CD1 3.92Å; P308-Y310 HydrophobicContact CB-CE1 4.2Å; P308-Y310 HydrophobicContact CB-CE2 3.88Å; P308-Y310 HydrophobicContact CG-CE2 3.56Å; P308-Y310 VanDerWaalsContact CG-OH 3.31Å; P308-Y310 WeakPolarHBondContact CG-OH 3.47Å; Y310-E313 WeakPolarHBondContact CD2-OE2 3.29Å |
| 311 | R | 86.4 | Confident | 73 | Confident | 10 Ų | 10 | 71 Ų | 71 | 4% | 0.038 | 40% | 0.399 | C | S | . | . | S | Bend | trans | -71.5 | -35.4 | 173.6 | -66.8 | 168.4 | -179.1 | -97.8 | -5.7 | 111.5 | L148 E188 I236 I326 D327 H330 | L148-R311 HydrophobicContact CD1-CB 4.21Å; E188-R311 PolarHBondContact OE1-N 2.8Å; E188-R311 VanDerWaalsContact OE2-CB 3.31Å; E188-R311 WeakPolarHBondContact OE2-CB 3.41Å; E188-R311 PolarHBondContact OE2-N 2.64Å; I236-R311 HydrophobicContact CD1-CB 3.48Å; I236-R311 VanDerWaalsContact CD1-CB 3.48Å; I236-R311 HydrophobicContact CD1-CG 4.5Å; I236-R311 HydrophobicContact CG1-CB 4.45Å; R311-I326 HydrophobicContact CG-CB 4.01Å; R311-I326 HydrophobicContact CG-CD1 4.17Å; R311-D327 PolarHBondContact NH1-O 2.75Å; R311-D327 PolarHBondContact NH2-O 3.5Å; R311-H330 PolarHBondContact NH2-ND1 3.01Å |
| 312 | S | 75.6 | Confident | 72.1 | Confident | 51 Ų | 51 | 72.7 Ų | 72.7 | 36% | 0.357 | 41% | 0.409 | S | S | . | . | S | Bend | trans | -76.9 | -30.2 | -175.8 | 58.7 | 0 | 0 | 0 | 0 | 114.3 | E188 K314 T315 | E188-S312 WeakPolarHBondContact OE1-CB 3.34Å; E188-S312 PolarHBondContact OE1-N 2.95Å; E188-S312 PolarHBondContact OE1-OG 2.79Å; S312-K314 PolarHBondContact O-N 2.62Å; S312-T315 PolarHBondContact O-N 3.42Å |
| 313 | E | 67.7 | Low | 71.7 | Confident | 121 Ų | 121 | 76.1 Ų | 76.1 | 57% | 0.565 | 42% | 0.423 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -70 | -15.8 | -168.4 | -167 | 171.5 | -149.6 | 0 | 0 | 114 | Y310 | Y310-E313 WeakPolarHBondContact CD2-OE2 3.29Š|
| 314 | K | 56.9 | Low | 71.3 | Confident | 78 Ų | 78 | 76.3 Ų | 76.3 | 34% | 0.339 | 42% | 0.423 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -108.5 | 11.6 | -178.4 | -61.6 | -171.7 | -171.5 | 174.5 | 0 | 114.9 | S312 S316 P322 I324 | S312-K314 PolarHBondContact O-N 2.62Å; K314-S316 PolarHBondContact O-N 2.93Å; K314-P322 HydrophobicContact CB-CB 3.72Å; K314-P322 HydrophobicContact CB-CG 3.82Å; K314-P322 HydrophobicContact CD-CB 3.66Å; K314-P322 HydrophobicContact CD-CG 4.43Å; K314-P322 HydrophobicContact CG-CB 4.3Å; K314-I324 WeakPolarHBondContact CD-O 3.01Å; K314-I324 PolarHBondContact NZ-O 3.42Å |
| 315 | T | 50.8 | Low | 71 | Confident | 68 Ų | 68 | 77.4 Ų | 77.4 | 42% | 0.417 | 43% | 0.427 | S | S | . | . | trans | -89.5 | 46.5 | 168.8 | -37.6 | 0 | 0 | 0 | 0 | 111.1 | L148 S312 | L148-T315 WeakPolarHBondContact O-CG2 3.27Å; S312-T315 PolarHBondContact O-N 3.42Å | ||
| 316 | S | 41.5 | Very low | 71 | Confident | 71 Ų | 71 | 76.2 Ų | 76.2 | 50% | 0.497 | 41% | 0.413 | S | S | . | . | trans | -73.5 | 141.8 | 174.2 | -62.1 | 0 | 0 | 0 | 0 | 110.2 | K314 G318 N319 | K314-S316 PolarHBondContact O-N 2.93Å; S316-G318 PolarHBondContact O-N 3.5Å; S316-N319 PolarHBondContact O-N 2.86Å | ||
| 317 | P | 40.3 | Very low | 70.7 | Confident | 135 Ų | 135 | 72.3 Ų | 72.3 | 88% | 0.877 | 38% | 0.383 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -71.1 | 96.1 | -177.8 | 29.5 | -31.7 | 0 | 0 | 0 | 109.2 | ||
| 318 | G | 46.7 | Very low | 70.3 | Confident | 60 Ų | 60 | 68.9 Ų | 68.9 | 62% | 0.619 | 37% | 0.366 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 144.3 | -19.7 | 178.3 | 0 | 0 | 0 | 0 | 0 | 115 | S316 | S316-G318 PolarHBondContact O-N 3.5Š|
| 319 | N | 49.3 | Very low | 69.7 | Low | 119 Ų | 119 | 67.4 Ų | 67.4 | 64% | 0.636 | 36% | 0.359 | S | S | * | . | trans | -123.7 | 75.5 | 177.4 | -131.6 | -9.5 | 0 | 0 | 0 | 109.5 | S316 Y321 | S316-N319 PolarHBondContact O-N 2.86Å; N319-Y321 PolarHBondContact O-N 2.97Å; N319-Y321 VanDerWaalsContact O-N 3.11Å | ||
| 320 | F | 53 | Low | 69.5 | Low | 155 Ų | 155 | 67.9 Ų | 67.9 | 68% | 0.68 | 36% | 0.361 | S | S | * | . | S | Bend | trans | -63.3 | -17.4 | -171.3 | -70.6 | -84.3 | 0 | 0 | 0 | 114.1 | ||
| 321 | Y | 62.7 | Low | 69.3 | Low | 189 Ų | 189 | 67.1 Ų | 67.1 | 74% | 0.741 | 36% | 0.359 | S | S | * | . | S | Bend | trans | -133 | 84.5 | -177.8 | -59 | -74.7 | 0 | 0 | 0 | 110.7 | N319 R323 | N319-Y321 PolarHBondContact O-N 2.97Å; N319-Y321 VanDerWaalsContact O-N 3.11Å; Y321-R323 PolarHBondContact O-N 2.81Å |
| 322 | P | 72.5 | Confident | 69.4 | Low | 35 Ų | 35 | 66.6 Ų | 66.6 | 23% | 0.227 | 36% | 0.357 | C | S | . | . | trans | -62.4 | 133.3 | 174.4 | 24 | -31.6 | 0 | 0 | 0 | 110.6 | K314 I324 K325 | K314-P322 HydrophobicContact CB-CB 3.72Å; K314-P322 HydrophobicContact CB-CG 3.82Å; K314-P322 HydrophobicContact CD-CB 3.66Å; K314-P322 HydrophobicContact CD-CG 4.43Å; K314-P322 HydrophobicContact CG-CB 4.3Å; P322-I324 VanDerWaalsContact C-N 3.28Å; P322-I324 PolarHBondContact O-N 2.87Å; P322-K325 HydrophobicContact CG-CB 4.23Å | ||
| 323 | R | 84.1 | Confident | 69.8 | Low | 73 Ų | 73 | 64.8 Ų | 64.8 | 28% | 0.275 | 34% | 0.343 | S | S | . | . | S | Bend | trans | -56.8 | -39.6 | 179 | -170.9 | 178.5 | 63.3 | 73.8 | -2.2 | 112.9 | Y321 F334 N335 P336 D341 | Y321-R323 PolarHBondContact O-N 2.81Å; R323-F334 CarbonylContact O-C 3.59Å; R323-F334 WeakPolarHBondContact O-CA 3.35Å; R323-N335 WeakPolarHBondContact CG-O 3.5Å; R323-N335 PolarHBondContact O-N 2.88Å; R323-P336 WeakPolarHBondContact CD-O 2.91Å; R323-P336 VanDerWaalsContact CG-O 3.31Å; R323-P336 WeakPolarHBondContact CG-O 3.47Å; R323-P336 PolarHBondContact NH1-O 2.99Å; R323-P336 VanDerWaalsContact NH1-O 3.08Å; R323-D341 IonicContact CZ-OD1 3.39Å; R323-D341 VanDerWaalsContact CZ-OD1 3.32Å; R323-D341 IonicContact CZ-OD2 3.32Å; R323-D341 IonicContact NH1-OD1 3.82Å; R323-D341 PolarHBondContact NH1-OD1 3.38Å; R323-D341 IonicContact NH1-OD2 3.04Å; R323-D341 PolarHBondContact NH1-OD2 2.99Å; R323-D341 IonicContact NH2-OD1 3.61Å; R323-D341 PolarHBondContact NH2-OD1 3.25Å; R323-D341 IonicContact NH2-OD2 2.71Å |
| 324 | I | 86.1 | Confident | 70.6 | Confident | 15 Ų | 15 | 59 Ų | 59 | 8% | 0.077 | 32% | 0.316 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.2 | 115.7 | 175.4 | -53.8 | 175.3 | 0 | 0 | 0 | 108 | K314 P322 L332 V333 F334 | K314-I324 WeakPolarHBondContact CD-O 3.01Å; K314-I324 PolarHBondContact NZ-O 3.42Å; P322-I324 VanDerWaalsContact C-N 3.28Å; P322-I324 PolarHBondContact O-N 2.87Å; I324-L332 HydrophobicContact CG2-CD1 3.71Å; I324-L332 HydrophobicContact CG2-CG 4.37Å; I324-V333 WeakPolarHBondContact CA-O 3.5Å; I324-F334 HydrophobicContact CD1-CD1 3.87Å; I324-F334 HydrophobicContact CD1-CE1 3.87Å; I324-F334 HydrophobicContact CG1-CD1 3.7Å; I324-F334 HydrophobicContact CG1-CE1 4.12Å; I324-F334 HydrophobicContact CG2-CD1 4.26Å; I324-F334 HydrophobicContact CG2-CE1 4.13Å |
| 325 | K | 85.1 | Confident | 71.8 | Confident | 95 Ų | 95 | 59.5 Ų | 59.5 | 41% | 0.413 | 32% | 0.323 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -136 | 153.3 | -177.7 | 67.8 | -177.8 | -178.2 | 178.4 | 0 | 111.2 | P322 V333 | P322-K325 HydrophobicContact CG-CB 4.23Å; K325-V333 HydrophobicContact CG-CB 4.16Å; K325-V333 PolarHBondContact N-O 2.95Å; K325-V333 PolarHBondContact O-N 3.02Å |
| 326 | I | 86.3 | Confident | 73.2 | Confident | 9 Ų | 9 | 58.3 Ų | 58.3 | 5% | 0.046 | 32% | 0.316 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.1 | 118.2 | 166.8 | -51.9 | 169.3 | 0 | 0 | 0 | 106.9 | W302 I309 R311 H331 L332 | W302-I326 HydrophobicContact CB-CD1 4.15Å; W302-I326 HydrophobicContact CG-CD1 4.46Å; I309-I326 HydrophobicContact CB-CD1 4.49Å; I309-I326 HydrophobicContact CG2-CD1 4.19Å; I309-I326 HydrophobicContact CG2-CG1 4.32Å; R311-I326 HydrophobicContact CG-CB 4.01Å; R311-I326 HydrophobicContact CG-CD1 4.17Å; I326-H331 CarbonylContact C-O 3.51Å; I326-H331 VanDerWaalsContact CA-O 3.3Å; I326-H331 WeakPolarHBondContact CA-O 3.3Å; I326-L332 HydrophobicContact CG1-CD1 4.03Å |
| 327 | D | 81.3 | Confident | 75.1 | Confident | 25 Ų | 25 | 55 Ų | 55 | 13% | 0.134 | 29% | 0.293 | C | S | . | . | trans | -73.3 | 175.6 | -179 | 75.3 | 6.3 | 0 | 0 | 0 | 112.2 | R311 G329 H330 H331 V333 | R311-D327 PolarHBondContact NH1-O 2.75Å; R311-D327 PolarHBondContact NH2-O 3.5Å; D327-G329 PolarHBondContact O-N 3.03Å; D327-G329 VanDerWaalsContact OD1-CA 3.23Å; D327-G329 WeakPolarHBondContact OD1-CA 3.36Å; D327-G329 PolarHBondContact OD1-N 3.08Å; D327-H330 PolarHBondContact O-N 3.41Å; D327-H330 VanDerWaalsContact O-N 3.12Å; D327-H330 PolarHBondContact OD1-N 3.4Å; D327-H331 PolarHBondContact N-O 3.03Å; D327-H331 IonicContact OD1-CG 2.63Å; D327-H331 PolarHBondContact OD1-N 2.88Å; D327-H331 IonicContact OD1-ND1 2.81Å; D327-H331 PolarHBondContact OD1-ND1 2.94Å; D327-H331 IonicContact OD2-CG 3.12Å; D327-H331 IonicContact OD2-ND1 3.2Å; D327-H331 PolarHBondContact OD2-ND1 2.87Å; D327-V333 HydrophobicContact CB-CG2 3.97Å | ||
| 328 | T | 80.5 | Confident | 77.2 | Confident | 34 Ų | 34 | 52.8 Ų | 52.8 | 21% | 0.209 | 27% | 0.27 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -64.5 | -24 | 175 | 35.1 | 0 | 0 | 0 | 0 | 113.5 | I45 A46 V234 H330 | I45-T328 HydrophobicContact CD1-CG2 3.66Å; I45-T328 HydrophobicContact CG1-CG2 4.07Å; A46-T328 WeakPolarHBondContact O-CB 3.08Å; A46-T328 PolarHBondContact O-OG1 3.46Å; V234-T328 HydrophobicContact CG2-CG2 3.98Å; T328-H330 VanDerWaalsContact C-N 3.26Å; T328-H330 PolarHBondContact O-N 2.97Å |
| 329 | G | 78.7 | Confident | 78.8 | Confident | 14 Ų | 14 | 52.7 Ų | 52.7 | 14% | 0.144 | 26% | 0.26 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -79.3 | -0.7 | 171.2 | 0 | 0 | 0 | 0 | 0 | 115.2 | G47 D327 H331 | G47-G329 VanDerWaalsContact O-CA 3.27Å; G47-G329 WeakPolarHBondContact O-CA 3.12Å; D327-G329 PolarHBondContact O-N 3.03Å; D327-G329 VanDerWaalsContact OD1-CA 3.23Å; D327-G329 WeakPolarHBondContact OD1-CA 3.36Å; D327-G329 PolarHBondContact OD1-N 3.08Å; G329-H331 VanDerWaalsContact C-N 3.28Å |
| 330 | H | 85.6 | Confident | 80.4 | Confident | 25 Ų | 25 | 54.6 Ų | 54.6 | 12% | 0.116 | 26% | 0.264 | C | S | . | . | S | Bend | trans | 70.1 | 17 | -174.9 | -45.7 | -87.7 | 0 | 0 | 0 | 115.8 | M298 V300 W302 R311 D327 T328 | M298-H330 PolarHBondContact O-CD2 3.49Å; M298-H330 PolarHBondContact O-NE2 2.04Å; V300-H330 HydrophobicContact CB-CB 3.68Å; V300-H330 HydrophobicContact CG2-CB 3.62Å; W302-H330 PolarHBondContact NE1-O 3.32Å; R311-H330 PolarHBondContact NH2-ND1 3.01Å; D327-H330 PolarHBondContact O-N 3.41Å; D327-H330 VanDerWaalsContact O-N 3.12Å; D327-H330 PolarHBondContact OD1-N 3.4Å; T328-H330 VanDerWaalsContact C-N 3.26Å; T328-H330 PolarHBondContact O-N 2.97Å |
| 331 | H | 85.1 | Confident | 82 | Confident | 27 Ų | 27 | 47.4 Ų | 47.4 | 13% | 0.125 | 23% | 0.233 | C | C | . | . | trans | -83.7 | 147.6 | 171 | -43.5 | 99.7 | 0 | 0 | 0 | 111.4 | G47 T288 L289 I326 D327 G329 V333 | G47-H331 PolarHBondContact O-CE1 3.37Å; T288-H331 HydrophobicContact CG2-CB 3.37Å; L289-H331 WeakPolarHBondContact O-CA 3.41Å; L289-H331 WeakPolarHBondContact O-CB 3.5Å; I326-H331 CarbonylContact C-O 3.51Å; I326-H331 VanDerWaalsContact CA-O 3.3Å; I326-H331 WeakPolarHBondContact CA-O 3.3Å; D327-H331 PolarHBondContact N-O 3.03Å; D327-H331 IonicContact OD1-CG 2.63Å; D327-H331 PolarHBondContact OD1-N 2.88Å; D327-H331 IonicContact OD1-ND1 2.81Å; D327-H331 PolarHBondContact OD1-ND1 2.94Å; D327-H331 IonicContact OD2-CG 3.12Å; D327-H331 IonicContact OD2-ND1 3.2Å; D327-H331 PolarHBondContact OD2-ND1 2.87Å; G329-H331 VanDerWaalsContact C-N 3.28Å; H331-V333 HydrophobicContact CB-CG2 4.44Å | ||
| 332 | L | 87.1 | Confident | 83 | Confident | 0 Ų | 0 | 40.2 Ų | 40.2 | 0% | 0 | 21% | 0.211 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -89.3 | 112.2 | 171.5 | -176.7 | 66.4 | 0 | 0 | 0 | 109 | T288 L289 W302 I309 I324 I326 F334 Y345 | T288-L332 CarbonylContact C-O 3.47Å; T288-L332 WeakPolarHBondContact CA-O 3.18Å; L289-L332 HydrophobicContact CB-CB 4.28Å; L289-L332 HydrophobicContact CD1-CD2 4.42Å; L289-L332 PolarHBondContact N-O 3.23Å; L289-L332 PolarHBondContact O-N 2.88Å; W302-L332 HydrophobicContact CB-CD1 4.46Å; W302-L332 HydrophobicContact CB-CD2 4.45Å; W302-L332 HydrophobicContact CD2-CB 3.79Å; W302-L332 HydrophobicContact CD2-CD2 4.17Å; W302-L332 HydrophobicContact CE3-CB 4.27Å; W302-L332 HydrophobicContact CE3-CD2 4.03Å; W302-L332 HydrophobicContact CG-CB 4.02Å; W302-L332 HydrophobicContact CG-CD1 4.48Å; W302-L332 HydrophobicContact CG-CD2 4.37Å; W302-L332 HydrophobicContact CZ2-CB 4.21Å; I309-L332 HydrophobicContact CD1-CD1 3.98Å; I309-L332 HydrophobicContact CD1-CD2 4.13Å; I324-L332 HydrophobicContact CG2-CD1 3.71Å; I324-L332 HydrophobicContact CG2-CG 4.37Å; I326-L332 HydrophobicContact CG1-CD1 4.03Å; L332-F334 HydrophobicContact CD2-CE2 3.95Å; L332-F334 HydrophobicContact CD2-CZ 3.68Å; L332-F334 HydrophobicContact CG-CE2 3.88Å; L332-F334 HydrophobicContact CG-CZ 3.98Å; L332-Y345 HydrophobicContact CD2-CD1 3.6Å; L332-Y345 HydrophobicContact CD2-CE1 3.8Å; L332-Y345 HydrophobicContact CD2-CG 4.43Å |
| 333 | V | 85.3 | Confident | 83.8 | Confident | 12 Ų | 12 | 39.9 Ų | 39.9 | 7% | 0.073 | 21% | 0.214 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.5 | 127.4 | -174 | -176.2 | 0 | 0 | 0 | 0 | 110.1 | V286 V287 T288 I324 K325 D327 H331 | V286-V333 HydrophobicContact CG1-CG1 3.73Å; V287-V333 CarbonylContact O-C 3.46Å; V287-V333 WeakPolarHBondContact O-CA 3.32Å; T288-V333 HydrophobicContact CG2-CG2 4.07Å; I324-V333 WeakPolarHBondContact CA-O 3.5Å; K325-V333 HydrophobicContact CG-CB 4.16Å; K325-V333 PolarHBondContact N-O 2.95Å; K325-V333 PolarHBondContact O-N 3.02Å; D327-V333 HydrophobicContact CB-CG2 3.97Å; H331-V333 HydrophobicContact CB-CG2 4.44Å |
| 334 | F | 83.7 | Confident | 84 | Confident | 0 Ų | 0 | 38.6 Ų | 38.6 | 0% | 0 | 21% | 0.214 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.3 | 122.4 | 172.7 | -53.8 | -102.4 | 0 | 0 | 0 | 108.6 | V286 V287 L289 R323 I324 L332 A337 D341 Y345 L359 | V286-F334 VanDerWaalsContact CA-O 3.28Å; V286-F334 WeakPolarHBondContact CA-O 3.25Å; V287-F334 HydrophobicContact CB-CB 4.19Å; V287-F334 HydrophobicContact CB-CD2 4.09Å; V287-F334 HydrophobicContact CB-CG 4.48Å; V287-F334 HydrophobicContact CG1-CD2 4.2Å; V287-F334 PolarHBondContact N-O 2.79Å; V287-F334 WeakPolarHBondContact O-CD2 3.21Å; V287-F334 PolarHBondContact O-N 3.18Å; L289-F334 HydrophobicContact CD1-CE2 3.83Å; L289-F334 HydrophobicContact CD1-CZ 4.25Å; L289-F334 HydrophobicContact CG-CE2 4.04Å; R323-F334 CarbonylContact O-C 3.59Å; R323-F334 WeakPolarHBondContact O-CA 3.35Å; I324-F334 HydrophobicContact CD1-CD1 3.87Å; I324-F334 HydrophobicContact CD1-CE1 3.87Å; I324-F334 HydrophobicContact CG1-CD1 3.7Å; I324-F334 HydrophobicContact CG1-CE1 4.12Å; I324-F334 HydrophobicContact CG2-CD1 4.26Å; I324-F334 HydrophobicContact CG2-CE1 4.13Å; L332-F334 HydrophobicContact CD2-CE2 3.95Å; L332-F334 HydrophobicContact CD2-CZ 3.68Å; L332-F334 HydrophobicContact CG-CE2 3.88Å; L332-F334 HydrophobicContact CG-CZ 3.98Å; F334-A337 HydrophobicContact CB-CB 3.91Å; F334-D341 HydrophobicContact CD1-CB 3.96Å; F334-D341 HydrophobicContact CE1-CB 3.9Å; F334-Y345 HydrophobicContact CE1-CE1 4.34Å; F334-Y345 AromaticContact CE1-CZ 3.99Å; F334-Y345 WeakPolarHBondContact CE1-OH 3.3Å; F334-Y345 AromaticContact CZ-CE1 3.94Å; F334-Y345 HydrophobicContact CZ-CE1 3.94Å; F334-Y345 HydrophobicContact CZ-CE2 4.35Å; F334-Y345 AromaticContact CZ-CZ 3.74Å; F334-L359 HydrophobicContact CE1-CD2 4.16Å; F334-L359 HydrophobicContact CE2-CD2 4.01Å; F334-L359 HydrophobicContact CZ-CD2 3.73Å |
| 335 | N | 82.4 | Confident | 84.3 | Confident | 89 Ų | 89 | 37.9 Ų | 37.9 | 48% | 0.476 | 21% | 0.21 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -144.4 | 94.6 | -178.3 | -176.4 | 17.4 | 0 | 0 | 0 | 111.9 | V286 R323 | V286-N335 HydrophobicContact CG2-CB 4.26Å; R323-N335 WeakPolarHBondContact CG-O 3.5Å; R323-N335 PolarHBondContact O-N 2.88Å |
| 336 | P | 80.1 | Confident | 84.6 | Confident | 42 Ų | 42 | 35.7 Ų | 35.7 | 27% | 0.273 | 20% | 0.2 | S | C | . | . | T | Hydrogen-bonded Turn | cis | -80.9 | 160.2 | -9.5 | 29.5 | -32.7 | 0 | 0 | 0 | 113.5 | R323 | R323-P336 WeakPolarHBondContact CD-O 2.91Å; R323-P336 VanDerWaalsContact CG-O 3.31Å; R323-P336 WeakPolarHBondContact CG-O 3.47Å; R323-P336 PolarHBondContact NH1-O 2.99Å; R323-P336 VanDerWaalsContact NH1-O 3.08Å |
| 337 | A | 81.4 | Confident | 84.9 | Confident | 1 Ų | 1 | 35.3 Ų | 35.3 | 1% | 0.008 | 20% | 0.197 | C | C | . | . | trans | -74.2 | 137.9 | 166.8 | 0 | 0 | 0 | 0 | 0 | 111.8 | D284 G285 V287 F334 V361 | D284-A337 PolarHBondContact N-O 3.24Å; G285-A337 PolarHBondContact O-N 2.77Å; G285-A337 VanDerWaalsContact O-N 3.08Å; V287-A337 HydrophobicContact CB-CB 4.03Å; V287-A337 HydrophobicContact CG2-CB 3.41Å; V287-A337 VanDerWaalsContact CG2-CB 3.41Å; F334-A337 HydrophobicContact CB-CB 3.91Å; A337-V361 HydrophobicContact CB-CG1 4.3Å | ||
| 338 | K | 84 | Confident | 85.4 | Confident | 90 Ų | 90 | 35.1 Ų | 35.1 | 39% | 0.391 | 20% | 0.195 | S | C | . | . | trans | -120.6 | 155.4 | 179.8 | -65.3 | -173.7 | 174.8 | -169.9 | 0 | 110.5 | Q340 D341 | K338-Q340 PolarHBondContact O-N 3.48Å; K338-Q340 VanDerWaalsContact O-N 3.15Å; K338-D341 PolarHBondContact N-OD2 2.47Å; K338-D341 VanDerWaalsContact O-CB 3.28Å; K338-D341 WeakPolarHBondContact O-CB 3.31Å; K338-D341 PolarHBondContact O-N 2.89Å | ||
| 339 | S | 80.3 | Confident | 85.9 | Confident | 58 Ų | 58 | 34.9 Ų | 34.9 | 41% | 0.406 | 19% | 0.192 | S | C | . | . | G | 310 helix | trans | -55 | -34.1 | 175.3 | 54 | 0 | 0 | 0 | 0 | 113.1 | D341 S342 | S339-D341 PolarHBondContact O-N 3.34Å; S339-S342 VanDerWaalsContact O-CB 3.27Å; S339-S342 WeakPolarHBondContact O-CB 3.35Å; S339-S342 PolarHBondContact O-N 3.07Å; S339-S342 PolarHBondContact O-OG 2.8Å |
| 340 | Q | 84 | Confident | 86.3 | Confident | 158 Ų | 158 | 38.7 Ų | 38.7 | 74% | 0.738 | 21% | 0.206 | S | C | * | . | G | 310 helix | trans | -66.3 | -16.6 | 175.6 | -64.2 | 168.8 | -0.3 | 0 | 0 | 114.1 | K338 S342 | K338-Q340 PolarHBondContact O-N 3.48Å; K338-Q340 VanDerWaalsContact O-N 3.15Å; Q340-S342 PolarHBondContact O-N 2.91Å |
| 341 | D | 85.1 | Confident | 86.5 | Confident | 4 Ų | 4 | 37.8 Ų | 37.8 | 2% | 0.021 | 20% | 0.203 | C | C | . | . | G | 310 helix | trans | -78.5 | -8.1 | 175.9 | -57.9 | -33.8 | 0 | 0 | 0 | 112.1 | R323 F334 K338 S339 G343 Y345 | R323-D341 IonicContact CZ-OD1 3.39Å; R323-D341 VanDerWaalsContact CZ-OD1 3.32Å; R323-D341 IonicContact CZ-OD2 3.32Å; R323-D341 IonicContact NH1-OD1 3.82Å; R323-D341 PolarHBondContact NH1-OD1 3.38Å; R323-D341 IonicContact NH1-OD2 3.04Å; R323-D341 PolarHBondContact NH1-OD2 2.99Å; R323-D341 IonicContact NH2-OD1 3.61Å; R323-D341 PolarHBondContact NH2-OD1 3.25Å; R323-D341 IonicContact NH2-OD2 2.71Å; F334-D341 HydrophobicContact CD1-CB 3.96Å; F334-D341 HydrophobicContact CE1-CB 3.9Å; K338-D341 PolarHBondContact N-OD2 2.47Å; K338-D341 VanDerWaalsContact O-CB 3.28Å; K338-D341 WeakPolarHBondContact O-CB 3.31Å; K338-D341 PolarHBondContact O-N 2.89Å; S339-D341 PolarHBondContact O-N 3.34Å; D341-G343 PolarHBondContact O-N 2.85Å; D341-Y345 WeakPolarHBondContact O-CE2 3.47Å; D341-Y345 PolarHBondContact O-OH 3.2Å |
| 342 | S | 85.6 | Confident | 86.6 | Confident | 39 Ų | 39 | 42.2 Ų | 42.2 | 27% | 0.273 | 22% | 0.219 | S | C | . | . | trans | -59 | 133.9 | 174.9 | -58.5 | 0 | 0 | 0 | 0 | 110.6 | S339 Q340 L359 V361 | S339-S342 VanDerWaalsContact O-CB 3.27Å; S339-S342 WeakPolarHBondContact O-CB 3.35Å; S339-S342 PolarHBondContact O-N 3.07Å; S339-S342 PolarHBondContact O-OG 2.8Å; Q340-S342 PolarHBondContact O-N 2.91Å; S342-L359 CarbonylContact C-O 3.57Å; S342-L359 VanDerWaalsContact CA-O 3.32Å; S342-L359 WeakPolarHBondContact CA-O 3.22Å; S342-V361 PolarHBondContact OG-N 3.44Å; S342-V361 PolarHBondContact OG-O 3.11Å | ||
| 343 | G | 87.7 | Confident | 86.6 | Confident | 28 Ų | 28 | 47.6 Ų | 47.6 | 29% | 0.289 | 24% | 0.239 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | 163.4 | -170.5 | -177.3 | 0 | 0 | 0 | 0 | 0 | 113.7 | D341 L359 | D341-G343 PolarHBondContact O-N 2.85Å; G343-L359 PolarHBondContact N-O 2.92Å; G343-L359 PolarHBondContact O-N 3.11Å |
| 344 | V | 89.6 | Confident | 86.7 | Confident | 46 Ų | 46 | 48.3 Ų | 48.3 | 28% | 0.279 | 25% | 0.246 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -98 | 124 | 178.8 | -176.8 | 0 | 0 | 0 | 0 | 109.2 | G305 Y346 Q356 R358 | G305-V344 PolarHBondContact N-O 3.14Å; V344-Y346 HydrophobicContact CG1-CD2 4.43Å; V344-Y346 HydrophobicContact CG1-CE1 4.31Å; V344-Y346 HydrophobicContact CG1-CE2 3.8Å; V344-Q356 HydrophobicContact CG1-CG 3.56Å; V344-R358 HydrophobicContact CG2-CG 4.34Å |
| 345 | Y | 91.2 | Very high | 86.8 | Confident | 0 Ų | 0 | 48.3 Ų | 48.3 | 0% | 0 | 25% | 0.246 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.7 | 139.7 | 174.2 | -65.7 | -91.9 | 0 | 0 | 0 | 109.9 | L289 D303 Q304 I309 L332 F334 D341 Q356 I357 L359 | L289-Y345 HydrophobicContact CD1-CD2 4.46Å; D303-Y345 CarbonylContact O-C 3.49Å; D303-Y345 WeakPolarHBondContact O-CA 3.4Å; Q304-Y345 HydrophobicContact CB-CD1 4.16Å; Q304-Y345 HydrophobicContact CB-CE1 3.89Å; Q304-Y345 HydrophobicContact CG-CD1 4.35Å; Q304-Y345 HydrophobicContact CG-CE1 3.79Å; Q304-Y345 PolarHBondContact NE2-OH 3.15Å; I309-Y345 HydrophobicContact CD1-CD1 4.49Å; I309-Y345 HydrophobicContact CD1-CE1 4.32Å; L332-Y345 HydrophobicContact CD2-CD1 3.6Å; L332-Y345 HydrophobicContact CD2-CE1 3.8Å; L332-Y345 HydrophobicContact CD2-CG 4.43Å; F334-Y345 HydrophobicContact CE1-CE1 4.34Å; F334-Y345 AromaticContact CE1-CZ 3.99Å; F334-Y345 WeakPolarHBondContact CE1-OH 3.3Å; F334-Y345 AromaticContact CZ-CE1 3.94Å; F334-Y345 HydrophobicContact CZ-CE1 3.94Å; F334-Y345 HydrophobicContact CZ-CE2 4.35Å; F334-Y345 AromaticContact CZ-CZ 3.74Å; D341-Y345 WeakPolarHBondContact O-CE2 3.47Å; D341-Y345 PolarHBondContact O-OH 3.2Å; Y345-Q356 CarbonylContact O-C 3.57Å; Y345-I357 PolarHBondContact N-O 3.18Å; Y345-I357 PolarHBondContact O-N 2.8Å; Y345-L359 HydrophobicContact CD2-CB 3.85Å; Y345-L359 HydrophobicContact CD2-CD2 4.48Å; Y345-L359 HydrophobicContact CE2-CB 3.76Å; Y345-L359 HydrophobicContact CE2-CD2 3.8Å; Y345-L359 HydrophobicContact CE2-CG 4.41Å |
| 346 | Y | 92 | Very high | 87.1 | Confident | 49 Ų | 49 | 45.1 Ų | 45.1 | 19% | 0.192 | 23% | 0.228 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113 | 134.1 | 171.7 | -62.7 | -80.4 | 0 | 0 | 0 | 109.2 | W302 D303 G305 V344 R353 A355 Q356 | W302-Y346 CarbonylContact C-O 3.56Å; W302-Y346 WeakPolarHBondContact CA-O 3.07Å; D303-Y346 PolarHBondContact N-O 2.92Å; D303-Y346 PolarHBondContact O-N 2.94Å; G305-Y346 VanDerWaalsContact O-CD2 3.31Å; G305-Y346 WeakPolarHBondContact O-CD2 3.38Å; G305-Y346 WeakPolarHBondContact O-CE2 3.32Å; V344-Y346 HydrophobicContact CG1-CD2 4.43Å; V344-Y346 HydrophobicContact CG1-CE1 4.31Å; V344-Y346 HydrophobicContact CG1-CE2 3.8Å; Y346-R353 HydrophobicContact CD1-CG 4.38Å; Y346-A355 WeakPolarHBondContact CA-O 3.16Å; Y346-Q356 HydrophobicContact CD1-CB 3.92Å; Y346-Q356 HydrophobicContact CD1-CG 4.05Å; Y346-Q356 HydrophobicContact CE1-CB 3.74Å; Y346-Q356 HydrophobicContact CE1-CG 3.55Å; Y346-Q356 PolarHBondContact OH-NE2 2.85Å |
| 347 | C | 91.6 | Very high | 87.2 | Confident | 0 Ų | 0 | 43.3 Ų | 43.3 | 0% | 0 | 22% | 0.217 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106 | 142.9 | 170.9 | 73.3 | 0 | 0 | 0 | 0 | 111.3 | C291 V300 G301 W302 A354 A355 | C291-C347 HydrophobicContact CB-CB 3.52Å; C291-C347 WeakPolarHBondContact CB-SG 3.48Å; C291-C347 WeakPolarHBondContact SG-CB 3.29Å; C291-C347 CovalentContact SG-SG 2.04Å; C291-C347 PolarHBondContact SG-SG 3.43Å; V300-C347 HydrophobicContact CG1-CB 4.15Å; G301-C347 CarbonylContact O-C 3.5Å; G301-C347 WeakPolarHBondContact O-CA 3.34Å; W302-C347 HydrophobicContact CD2-CB 4.21Å; W302-C347 HydrophobicContact CE3-CB 3.89Å; W302-C347 HydrophobicContact CH2-CB 3.9Å; W302-C347 HydrophobicContact CZ2-CB 4.2Å; W302-C347 HydrophobicContact CZ3-CB 3.73Å; C347-A354 PolarHBondContact O-N 2.85Å; C347-A355 PolarHBondContact N-O 3.3Å; C347-A355 VanDerWaalsContact N-O 3.07Å |
| 348 | W | 92.4 | Very high | 87.4 | Confident | 22 Ų | 22 | 49 Ų | 49 | 8% | 0.083 | 24% | 0.238 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.6 | 129.3 | 176.8 | -64.8 | 77 | 0 | 0 | 0 | 109.3 | D181 R182 V300 G301 D303 G351 R352 R353 | D181-W348 VanDerWaalsContact O-CB 3.27Å; D181-W348 WeakPolarHBondContact O-CB 3.05Å; R182-W348 HydrophobicContact CB-CE3 4.45Å; R182-W348 HydrophobicContact CG-CD2 3.97Å; R182-W348 HydrophobicContact CG-CE3 4.39Å; R182-W348 HydrophobicContact CG-CG 4.03Å; V300-W348 WeakPolarHBondContact CA-O 3.44Å; V300-W348 WeakPolarHBondContact CG1-O 3.38Å; G301-W348 PolarHBondContact N-O 2.6Å; G301-W348 PolarHBondContact O-N 3.25Å; D303-W348 PolarHBondContact OD2-NE1 3.31Å; W348-G351 WeakPolarHBondContact CZ3-O 3.5Å; W348-R352 CarbonylContact C-O 3.57Å; W348-R352 WeakPolarHBondContact CA-O 3.36Å; W348-R352 VanDerWaalsContact CE3-C 3.47Å; W348-R353 HydrophobicContact CD2-CB 4.32Å; W348-R353 HydrophobicContact CE3-CB 4.32Å; W348-R353 VanDerWaalsContact CE3-N 3.33Å; W348-R353 HydrophobicContact CZ3-CB 4.43Å |
| 349 | L | 90.3 | Very high | 87.5 | Confident | 28 Ų | 28 | 44.9 Ų | 44.9 | 15% | 0.147 | 22% | 0.22 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.8 | 118.8 | 171.9 | -65.8 | -179.5 | 0 | 0 | 0 | 109.2 | C291 A294 V300 G351 R352 A354 | C291-L349 HydrophobicContact CB-CD2 4.13Å; C291-L349 WeakPolarHBondContact SG-CD2 3.34Å; C291-L349 VanDerWaalsContact SG-CG 3.59Å; A294-L349 HydrophobicContact CB-CD2 3.78Å; V300-L349 HydrophobicContact CB-CD2 4.45Å; V300-L349 HydrophobicContact CG1-CD2 4.24Å; V300-L349 HydrophobicContact CG2-CD2 3.73Å; L349-G351 PolarHBondContact O-N 3.28Å; L349-R352 PolarHBondContact N-O 3.29Å; L349-R352 PolarHBondContact O-N 2.75Å; L349-A354 HydrophobicContact CB-CB 3.96Å; L349-A354 HydrophobicContact CD1-CB 3.58Å; L349-A354 HydrophobicContact CG-CB 3.51Å |
| 350 | Q | 88.8 | Confident | 87.5 | Confident | 95 Ų | 95 | 45.9 Ų | 45.9 | 44% | 0.444 | 22% | 0.221 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 48.5 | 43.8 | 178.3 | -62 | -156 | 2.3 | 0 | 0 | 113.9 | V179 M298 V299 | V179-Q350 HydrophobicContact CG2-CB 3.83Å; V179-Q350 HydrophobicContact CG2-CG 3.95Å; M298-Q350 HydrophobicContact CB-CG 4.3Å; M298-Q350 HydrophobicContact CG-CG 4.34Å; V299-Q350 PolarHBondContact O-N 3.33Å; V299-Q350 VanDerWaalsContact O-N 3.14Å |
| 351 | G | 88.1 | Confident | 87.3 | Confident | 5 Ų | 5 | 38.6 Ų | 38.6 | 5% | 0.052 | 19% | 0.187 | C | C | . | . | B | Isolated β-bridge | trans | 86.1 | -0.7 | 178.8 | 0 | 0 | 0 | 0 | 0 | 115.1 | C180 D181 C183 W348 L349 | C180-G351 PolarHBondContact O-N 3.18Å; D181-G351 VanDerWaalsContact O-CA 3.24Å; D181-G351 WeakPolarHBondContact O-CA 3.39Å; D181-G351 PolarHBondContact O-N 3.06Å; D181-G351 VanDerWaalsContact O-N 3.12Å; C183-G351 WeakPolarHBondContact CB-O 3.24Å; C183-G351 PolarHBondContact N-O 3.38Å; C183-G351 PolarHBondContact SG-O 2.9Å; W348-G351 WeakPolarHBondContact CZ3-O 3.5Å; L349-G351 PolarHBondContact O-N 3.28Å |
| 352 | R | 87.7 | Confident | 86.7 | Confident | 120 Ų | 120 | 44.1 Ų | 44.1 | 45% | 0.453 | 21% | 0.208 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.5 | 138.5 | 176.8 | -61.8 | -175.7 | -178.5 | -162.3 | -3.2 | 111.7 | P244 W348 L349 A354 | P244-R352 HydrophobicContact CG-CG 4.42Å; W348-R352 CarbonylContact C-O 3.57Å; W348-R352 WeakPolarHBondContact CA-O 3.36Å; W348-R352 VanDerWaalsContact CE3-C 3.47Å; L349-R352 PolarHBondContact N-O 3.29Å; L349-R352 PolarHBondContact O-N 2.75Å; R352-A354 PolarHBondContact O-N 3.27Å |
| 353 | R | 87.5 | Confident | 85.7 | Confident | 114 Ų | 114 | 45.3 Ų | 45.3 | 43% | 0.43 | 22% | 0.221 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -64.8 | 123.7 | 173 | -164.8 | 179.1 | -68.6 | 165.4 | -1.3 | 108.9 | V273 Y346 W348 | V273-R353 HydrophobicContact CG1-CB 4.28Å; V273-R353 HydrophobicContact CG1-CG 4.07Å; V273-R353 VanDerWaalsContact CG1-O 3.3Å; V273-R353 WeakPolarHBondContact CG1-O 3.36Å; Y346-R353 HydrophobicContact CD1-CG 4.38Å; W348-R353 HydrophobicContact CD2-CB 4.32Å; W348-R353 HydrophobicContact CE3-CB 4.32Å; W348-R353 VanDerWaalsContact CE3-N 3.33Å; W348-R353 HydrophobicContact CZ3-CB 4.43Å |
| 354 | A | 86.4 | Confident | 84.2 | Confident | 26 Ų | 26 | 49.9 Ų | 49.9 | 22% | 0.215 | 23% | 0.234 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.1 | -37.7 | -169.5 | 0 | 0 | 0 | 0 | 0 | 113.3 | P274 C347 L349 R352 | P274-A354 WeakPolarHBondContact CD-O 3.37Å; P274-A354 WeakPolarHBondContact CG-O 3.38Å; C347-A354 PolarHBondContact O-N 2.85Å; L349-A354 HydrophobicContact CB-CB 3.96Å; L349-A354 HydrophobicContact CD1-CB 3.58Å; L349-A354 HydrophobicContact CG-CB 3.51Å; R352-A354 PolarHBondContact O-N 3.27Å |
| 355 | A | 86 | Confident | 82.4 | Confident | 0 Ų | 0 | 52.8 Ų | 52.8 | 0% | 0 | 25% | 0.247 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -150.6 | 154.9 | -179.7 | 0 | 0 | 0 | 0 | 0 | 112 | P274 Y276 P292 Y346 C347 | P274-A355 WeakPolarHBondContact O-CA 3.21Å; Y276-A355 HydrophobicContact CD2-CB 4Å; Y276-A355 HydrophobicContact CE2-CB 3.91Å; P292-A355 HydrophobicContact CG-CB 4.09Å; Y346-A355 WeakPolarHBondContact CA-O 3.16Å; C347-A355 PolarHBondContact N-O 3.3Å; C347-A355 VanDerWaalsContact N-O 3.07Å |
| 356 | Q | 88.5 | Confident | 80.3 | Confident | 22 Ų | 22 | 54.1 Ų | 54.1 | 10% | 0.103 | 26% | 0.262 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.1 | 128.3 | 166.1 | -178.4 | -179.3 | 12.5 | 0 | 0 | 108.4 | V273 P274 A275 Y276 V344 Y345 Y346 | V273-Q356 HydrophobicContact CG2-CB 3.95Å; P274-Q356 PolarHBondContact O-N 2.91Å; A275-Q356 CarbonylContact C-O 3.42Å; A275-Q356 VanDerWaalsContact CA-O 3.28Å; A275-Q356 WeakPolarHBondContact CA-O 3.06Å; A275-Q356 HydrophobicContact CB-CB 4.48Å; Y276-Q356 PolarHBondContact N-O 3.03Å; V344-Q356 HydrophobicContact CG1-CG 3.56Å; Y345-Q356 CarbonylContact O-C 3.57Å; Y346-Q356 HydrophobicContact CD1-CB 3.92Å; Y346-Q356 HydrophobicContact CD1-CG 4.05Å; Y346-Q356 HydrophobicContact CE1-CB 3.74Å; Y346-Q356 HydrophobicContact CE1-CG 3.55Å; Y346-Q356 PolarHBondContact OH-NE2 2.85Å |
| 357 | I | 84.1 | Confident | 78.1 | Confident | 5 Ų | 5 | 61.6 Ų | 61.6 | 3% | 0.026 | 30% | 0.295 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.6 | 120.2 | -179.7 | -52.6 | -177.4 | 0 | 0 | 0 | 108.2 | Y276 H278 W302 Y345 | Y276-I357 CarbonylContact O-C 3.58Å; Y276-I357 WeakPolarHBondContact O-CA 3.28Å; H278-I357 HydrophobicContact CB-CG2 4.1Å; W302-I357 HydrophobicContact CH2-CD1 3.74Å; W302-I357 HydrophobicContact CZ3-CD1 3.82Å; Y345-I357 PolarHBondContact N-O 3.18Å; Y345-I357 PolarHBondContact O-N 2.8Å |
| 358 | R | 85.5 | Confident | 76 | Confident | 119 Ų | 119 | 69.2 Ų | 69.2 | 45% | 0.449 | 34% | 0.336 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.5 | 105.4 | 172.8 | -65.4 | -177.4 | -178.6 | -172.8 | 4.8 | 108.1 | Y276 F277 H278 V344 | Y276-R358 PolarHBondContact O-N 3.46Å; F277-R358 HydrophobicContact CD1-CB 3.95Å; F277-R358 HydrophobicContact CE1-CB 4.17Å; F277-R358 VanDerWaalsContact CE1-CD 3.41Å; F277-R358 HydrophobicContact CE1-CG 4.36Å; H278-R358 PolarHBondContact N-O 3.39Å; V344-R358 HydrophobicContact CG2-CG 4.34Å |
| 359 | L | 84.3 | Confident | 73.7 | Confident | 5 Ų | 5 | 74.1 Ų | 74.1 | 3% | 0.026 | 36% | 0.36 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -91 | 128.5 | 176.5 | 177.7 | 69 | 0 | 0 | 0 | 108.9 | C280 V287 L289 F334 S342 G343 Y345 V361 | C280-L359 HydrophobicContact CB-CD1 4.26Å; V287-L359 HydrophobicContact CG1-CD1 4.41Å; L289-L359 HydrophobicContact CD1-CB 4.49Å; L289-L359 HydrophobicContact CD1-CD2 4.29Å; L289-L359 HydrophobicContact CD2-CD1 4.29Å; F334-L359 HydrophobicContact CE1-CD2 4.16Å; F334-L359 HydrophobicContact CE2-CD2 4.01Å; F334-L359 HydrophobicContact CZ-CD2 3.73Å; S342-L359 CarbonylContact C-O 3.57Å; S342-L359 VanDerWaalsContact CA-O 3.32Å; S342-L359 WeakPolarHBondContact CA-O 3.22Å; G343-L359 PolarHBondContact N-O 2.92Å; G343-L359 PolarHBondContact O-N 3.11Å; Y345-L359 HydrophobicContact CD2-CB 3.85Å; Y345-L359 HydrophobicContact CD2-CD2 4.48Å; Y345-L359 HydrophobicContact CE2-CB 3.76Å; Y345-L359 HydrophobicContact CE2-CD2 3.8Å; Y345-L359 HydrophobicContact CE2-CG 4.41Å; L359-V361 HydrophobicContact CD1-CG2 4.22Å; L359-V361 HydrophobicContact CD2-CG2 3.94Å; L359-V361 HydrophobicContact CG-CG2 3.89Å |
| 360 | L | 82.1 | Confident | 71.7 | Confident | 79 Ų | 79 | 77 Ų | 77 | 41% | 0.414 | 38% | 0.378 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.8 | 116.7 | 173.6 | -172.8 | 61.7 | 0 | 0 | 0 | 108.9 | H278 C280 Y362 | H278-L360 PolarHBondContact O-N 2.87Å; C280-L360 WeakPolarHBondContact CB-O 3.47Å; C280-L360 PolarHBondContact N-O 2.79Å; L360-Y362 HydrophobicContact CD2-CE1 3.86Å; L360-Y362 HydrophobicContact CD2-CE2 3.88Å; L360-Y362 WeakPolarHBondContact CD2-OH 3.44Å; L360-Y362 HydrophobicContact CG-CE1 4.14Å; L360-Y362 HydrophobicContact CG-CE2 3.97Å |
| 361 | V | 79.9 | Confident | 69.8 | Low | 5 Ų | 5 | 76.6 Ų | 76.6 | 3% | 0.03 | 38% | 0.384 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.4 | 113.3 | 179.8 | -174.5 | 0 | 0 | 0 | 0 | 108.4 | C280 T283 A337 S342 L359 | C280-V361 HydrophobicContact CB-CG2 4.32Å; T283-V361 HydrophobicContact CG2-CG1 4.03Å; A337-V361 HydrophobicContact CB-CG1 4.3Å; S342-V361 PolarHBondContact OG-N 3.44Å; S342-V361 PolarHBondContact OG-O 3.11Å; L359-V361 HydrophobicContact CD1-CG2 4.22Å; L359-V361 HydrophobicContact CD2-CG2 3.94Å; L359-V361 HydrophobicContact CG-CG2 3.89Å |
| 362 | Y | 72.6 | Confident | 67.9 | Low | 119 Ų | 119 | 85.5 Ų | 85.5 | 47% | 0.467 | 42% | 0.417 | S | S | . | . | trans | -87.8 | 135.8 | 179 | -62.6 | -81.2 | 0 | 0 | 0 | 111.4 | C280 T283 L360 H364 | C280-Y362 WeakPolarHBondContact O-CD2 3.3Å; C280-Y362 PolarHBondContact O-N 2.93Å; T283-Y362 VanDerWaalsContact CG2-O 3.31Å; T283-Y362 WeakPolarHBondContact CG2-O 3.41Å; L360-Y362 HydrophobicContact CD2-CE1 3.86Å; L360-Y362 HydrophobicContact CD2-CE2 3.88Å; L360-Y362 WeakPolarHBondContact CD2-OH 3.44Å; L360-Y362 HydrophobicContact CG-CE1 4.14Å; L360-Y362 HydrophobicContact CG-CE2 3.97Å; Y362-H364 PolarHBondContact O-N 2.84Å | ||
| 363 | A | 63.4 | Low | 65.9 | Low | 65 Ų | 65 | 83.1 Ų | 83.1 | 54% | 0.537 | 42% | 0.423 | S | S | . | . | trans | -64.7 | 126.3 | 170.1 | 0 | 0 | 0 | 0 | 0 | 110.4 | L365 | A363-L365 PolarHBondContact O-N 2.9Š| ||
| 364 | H | 57.2 | Low | 64.1 | Low | 123 Ų | 123 | 82.5 Ų | 82.5 | 57% | 0.569 | 42% | 0.424 | S | S | * | . | trans | -69.4 | 99.7 | 173.9 | -174.6 | -80.7 | 0 | 0 | 0 | 109.1 | T283 Y362 G366 | T283-H364 WeakPolarHBondContact OG1-CB 3.42Å; T283-H364 PolarHBondContact OG1-N 3Å; Y362-H364 PolarHBondContact O-N 2.84Å; H364-G366 PolarHBondContact O-N 2.89Å | ||
| 365 | L | 52.1 | Low | 62.7 | Low | 107 Ų | 107 | 85.8 Ų | 85.8 | 56% | 0.56 | 44% | 0.443 | S | S | * | . | trans | -67.8 | 109.9 | 160.6 | -77.1 | 144.5 | 0 | 0 | 0 | 106.5 | A363 | A363-L365 PolarHBondContact O-N 2.9Š| ||
| 366 | G | 45 | Very low | 61.4 | Low | 29 Ų | 29 | 90.8 Ų | 90.8 | 30% | 0.299 | 47% | 0.47 | S | S | . | . | trans | -49 | 149.1 | -179.5 | 0 | 0 | 0 | 0 | 0 | 112.3 | H364 D368 Q369 | H364-G366 PolarHBondContact O-N 2.89Å; G366-D368 PolarHBondContact O-N 2.9Å; G366-Q369 PolarHBondContact O-N 3.04Å | ||
| 367 | K | 47 | Very low | 60.2 | Low | 206 Ų | 206 | 93.5 Ų | 93.5 | 90% | 0.896 | 48% | 0.481 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -56.9 | -10.1 | 175.6 | -157.3 | 171.8 | -178.4 | 178.9 | 0 | 113.6 | ||
| 368 | D | 46.7 | Very low | 59.4 | Low | 160 Ų | 160 | 97.5 Ų | 97.5 | 86% | 0.856 | 51% | 0.506 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -107.9 | 3.5 | 177.1 | -59.6 | -33 | 0 | 0 | 0 | 114.4 | G366 | G366-D368 PolarHBondContact O-N 2.9Š|
| 369 | Q | 45.3 | Very low | 58.5 | Low | 124 Ų | 124 | 97.8 Ų | 97.8 | 58% | 0.579 | 51% | 0.513 | S | S | * | . | trans | -111.7 | 94.1 | 167.5 | -73.5 | -173 | -1.9 | 0 | 0 | 108.5 | G366 | G366-Q369 PolarHBondContact O-N 3.04Š| ||
| 370 | T | 48.5 | Very low | 58 | Low | 88 Ų | 88 | 100.8 Ų | 100.8 | 54% | 0.54 | 53% | 0.534 | S | S | . | . | trans | -52.9 | 141.7 | 164.8 | 49.8 | 0 | 0 | 0 | 0 | 108.5 | W372 A373 | T370-W372 PolarHBondContact O-N 2.76Å; T370-A373 PolarHBondContact O-N 3.1Å | ||
| 371 | P | 48.7 | Very low | 57.7 | Low | 88 Ų | 88 | 100.5 Ų | 100.5 | 57% | 0.571 | 53% | 0.532 | S | S | * | . | G | 310 helix | trans | -58 | -3.2 | 176.5 | 17.9 | -28.1 | 0 | 0 | 0 | 114.2 | F377 | P371-F377 WeakPolarHBondContact O-CG 3.27Š|
| 372 | W | 47 | Very low | 57.6 | Low | 192 Ų | 192 | 108.8 Ų | 108.8 | 73% | 0.727 | 56% | 0.562 | S | S | * | * | G | 310 helix | trans | -82.9 | -14.4 | 179.6 | -60 | 54.9 | 0 | 0 | 0 | 112.9 | T370 F377 | T370-W372 PolarHBondContact O-N 2.76Å; W372-F377 HydrophobicContact CG-CE1 4.47Å |
| 373 | A | 45.7 | Very low | 58 | Low | 70 Ų | 70 | 106.5 Ų | 106.5 | 58% | 0.579 | 56% | 0.561 | S | S | * | * | G | 310 helix | trans | -92.3 | -2.9 | -177.6 | 0 | 0 | 0 | 0 | 0 | 114 | T370 | T370-A373 PolarHBondContact O-N 3.1Š|
| 374 | H | 50.3 | Low | 59 | Low | 101 Ų | 101 | 108.9 Ų | 108.9 | 47% | 0.468 | 56% | 0.564 | S | S | . | * | S | Bend | trans | -77.7 | 127.2 | 176 | -139.1 | -78.4 | 0 | 0 | 0 | 109.5 | D376 F377 | H374-D376 IonicContact CE1-OD2 2.77Å; H374-D376 IonicContact ND1-OD2 3.48Å; H374-D376 PolarHBondContact ND1-OD2 2.79Å; H374-D376 PolarHBondContact O-N 3.3Å; H374-D376 VanDerWaalsContact O-N 3.15Å; H374-F377 HydrophobicContact CB-CB 4.34Å; H374-F377 WeakPolarHBondContact O-CB 2.83Å; H374-F377 PolarHBondContact O-N 2.85Å |
| 375 | P | 57.2 | Low | 60.2 | Low | 94 Ų | 94 | 109.2 Ų | 109.2 | 61% | 0.61 | 56% | 0.564 | S | S | * | * | H | α-helix | trans | -57.2 | -32.9 | -178.5 | 19.5 | -30.4 | 0 | 0 | 0 | 112.7 | F377 E379 | P375-F377 VanDerWaalsContact C-N 3.32Å; P375-F377 PolarHBondContact O-N 2.89Å; P375-E379 PolarHBondContact O-N 2.8Å |
| 376 | D | 59.4 | Low | 61.7 | Low | 105 Ų | 105 | 108 Ų | 108 | 56% | 0.561 | 56% | 0.561 | S | S | * | * | H | α-helix | trans | -70.3 | -23.5 | 177.9 | -57 | -41.8 | 0 | 0 | 0 | 113.9 | H374 S380 | H374-D376 IonicContact CE1-OD2 2.77Å; H374-D376 IonicContact ND1-OD2 3.48Å; H374-D376 PolarHBondContact ND1-OD2 2.79Å; H374-D376 PolarHBondContact O-N 3.3Å; H374-D376 VanDerWaalsContact O-N 3.15Å; D376-S380 VanDerWaalsContact O-CB 3.28Å; D376-S380 WeakPolarHBondContact O-CB 3.07Å; D376-S380 PolarHBondContact O-N 3.28Å; D376-S380 PolarHBondContact O-OG 2.94Å |
| 377 | F | 63 | Low | 63.7 | Low | 79 Ų | 79 | 114.2 Ų | 114.2 | 35% | 0.346 | 58% | 0.577 | S | S | . | * | H | α-helix | trans | -72.9 | -40.3 | 179 | -175.7 | -101.7 | 0 | 0 | 0 | 111.1 | P371 W372 H374 P375 S380 M381 | P371-F377 WeakPolarHBondContact O-CG 3.27Å; W372-F377 HydrophobicContact CG-CE1 4.47Å; H374-F377 HydrophobicContact CB-CB 4.34Å; H374-F377 WeakPolarHBondContact O-CB 2.83Å; H374-F377 PolarHBondContact O-N 2.85Å; P375-F377 VanDerWaalsContact C-N 3.32Å; P375-F377 PolarHBondContact O-N 2.89Å; F377-S380 PolarHBondContact O-N 2.94Å; F377-M381 HydrophobicContact CD1-CG 4.07Å; F377-M381 HydrophobicContact CD2-CG 4.44Å; F377-M381 HydrophobicContact CE1-CG 3.69Å; F377-M381 HydrophobicContact CE2-CG 4.09Å; F377-M381 HydrophobicContact CE2-SD 4.44Å; F377-M381 HydrophobicContact CG-CG 4.44Å; F377-M381 HydrophobicContact CZ-CG 3.69Å; F377-M381 HydrophobicContact CZ-SD 4.05Å; F377-M381 WeakPolarHBondContact O-CB 3.34Å; F377-M381 VanDerWaalsContact O-CG 3.31Å; F377-M381 WeakPolarHBondContact O-CG 3.46Å; F377-M381 PolarHBondContact O-N 3.11Å |
| 378 | T | 66 | Low | 65.5 | Low | 89 Ų | 89 | 112 Ų | 112 | 55% | 0.546 | 56% | 0.564 | S | S | . | * | H | α-helix | trans | -64.7 | -42.3 | 177.3 | -42.9 | 0 | 0 | 0 | 0 | 111.2 | R382 | T378-R382 VanDerWaalsContact O-CB 3.3Å; T378-R382 WeakPolarHBondContact O-CB 3.44Å; T378-R382 PolarHBondContact O-N 2.65Å |
| 379 | E | 67 | Low | 67.4 | Low | 125 Ų | 125 | 108.4 Ų | 108.4 | 58% | 0.584 | 55% | 0.547 | S | S | * | . | H | α-helix | trans | -63.4 | -46.1 | 176 | -149.3 | 77.1 | -159.1 | 0 | 0 | 110.7 | P375 R382 T383 | P375-E379 PolarHBondContact O-N 2.8Å; E379-R382 PolarHBondContact O-N 2.88Å; E379-T383 PolarHBondContact O-N 2.86Å; E379-T383 PolarHBondContact O-OG1 3.1Å |
| 380 | S | 74.7 | Confident | 69.3 | Low | 69 Ų | 69 | 106 Ų | 106 | 48% | 0.483 | 54% | 0.541 | S | S | . | . | H | α-helix | trans | -63.8 | -45.3 | -179.8 | -59.7 | 0 | 0 | 0 | 0 | 112.2 | D376 F377 T383 L384 | D376-S380 VanDerWaalsContact O-CB 3.28Å; D376-S380 WeakPolarHBondContact O-CB 3.07Å; D376-S380 PolarHBondContact O-N 3.28Å; D376-S380 PolarHBondContact O-OG 2.94Å; F377-S380 PolarHBondContact O-N 2.94Å; S380-T383 PolarHBondContact O-N 3.03Å; S380-L384 PolarHBondContact O-N 3.3Å |
| 381 | M | 75.1 | Confident | 70.8 | Confident | 73 Ų | 73 | 106.9 Ų | 106.9 | 36% | 0.36 | 54% | 0.54 | S | S | . | . | H | α-helix | trans | -65.8 | -40.3 | 177.8 | -75.7 | -66.4 | -76.8 | 0 | 0 | 111.9 | F377 T383 L384 F385 | F377-M381 HydrophobicContact CD1-CG 4.07Å; F377-M381 HydrophobicContact CD2-CG 4.44Å; F377-M381 HydrophobicContact CE1-CG 3.69Å; F377-M381 HydrophobicContact CE2-CG 4.09Å; F377-M381 HydrophobicContact CE2-SD 4.44Å; F377-M381 HydrophobicContact CG-CG 4.44Å; F377-M381 HydrophobicContact CZ-CG 3.69Å; F377-M381 HydrophobicContact CZ-SD 4.05Å; F377-M381 WeakPolarHBondContact O-CB 3.34Å; F377-M381 VanDerWaalsContact O-CG 3.31Å; F377-M381 WeakPolarHBondContact O-CG 3.46Å; F377-M381 PolarHBondContact O-N 3.11Å; M381-T383 VanDerWaalsContact C-N 3.29Å; M381-T383 PolarHBondContact O-N 3.01Å; M381-L384 PolarHBondContact O-N 3.36Å; M381-F385 HydrophobicContact CE-CD2 4.49Å; M381-F385 HydrophobicContact CE-CE2 3.84Å; M381-F385 WeakPolarHBondContact O-CB 3.22Å; M381-F385 WeakPolarHBondContact O-CD2 2.96Å; M381-F385 PolarHBondContact O-N 3.27Å |
| 382 | R | 77.5 | Confident | 72.2 | Confident | 178 Ų | 178 | 106.4 Ų | 106.4 | 67% | 0.672 | 54% | 0.536 | S | S | * | . | H | α-helix | trans | -60.4 | -42.6 | 175.1 | -170.8 | 179.3 | -174.4 | 177.4 | 2.3 | 111 | T378 E379 F385 T386 | T378-R382 VanDerWaalsContact O-CB 3.3Å; T378-R382 WeakPolarHBondContact O-CB 3.44Å; T378-R382 PolarHBondContact O-N 2.65Å; E379-R382 PolarHBondContact O-N 2.88Å; R382-F385 PolarHBondContact O-N 2.79Å; R382-T386 WeakPolarHBondContact O-CB 3.46Å; R382-T386 PolarHBondContact O-N 2.8Å; R382-T386 PolarHBondContact O-OG1 2.77Å |
| 383 | T | 80.8 | Confident | 73.8 | Confident | 72 Ų | 72 | 102.9 Ų | 102.9 | 44% | 0.442 | 54% | 0.535 | S | S | . | . | H | α-helix | trans | -65.4 | -43 | 178.9 | -44.2 | 0 | 0 | 0 | 0 | 111.2 | E379 S380 M381 T386 Y387 | E379-T383 PolarHBondContact O-N 2.86Å; E379-T383 PolarHBondContact O-OG1 3.1Å; S380-T383 PolarHBondContact O-N 3.03Å; M381-T383 VanDerWaalsContact C-N 3.29Å; M381-T383 PolarHBondContact O-N 3.01Å; T383-T386 PolarHBondContact O-N 3.36Å; T383-Y387 HydrophobicContact CG2-CD2 4.19Å; T383-Y387 HydrophobicContact CG2-CE2 4.32Å; T383-Y387 WeakPolarHBondContact O-CD2 3.46Å; T383-Y387 PolarHBondContact O-N 3.05Å |
| 384 | L | 84.4 | Confident | 75.4 | Confident | 114 Ų | 114 | 104.6 Ų | 104.6 | 60% | 0.597 | 54% | 0.539 | S | S | * | . | H | α-helix | trans | -63.5 | -45.4 | 177.6 | -124 | 153.7 | 0 | 0 | 0 | 112.3 | S380 M381 T386 Y387 Y388 | S380-L384 PolarHBondContact O-N 3.3Å; M381-L384 PolarHBondContact O-N 3.36Å; L384-T386 VanDerWaalsContact C-N 3.33Å; L384-T386 PolarHBondContact O-N 2.93Å; L384-Y387 PolarHBondContact O-N 2.94Å; L384-Y388 WeakPolarHBondContact O-CB 3.37Å; L384-Y388 PolarHBondContact O-N 3.36Å |
| 385 | F | 83 | Confident | 75.8 | Confident | 131 Ų | 131 | 109.8 Ų | 109.8 | 58% | 0.575 | 56% | 0.56 | S | S | * | * | H | α-helix | trans | -63.5 | -39.7 | 174.4 | -90.6 | -70.1 | 0 | 0 | 0 | 112.1 | M381 R382 Y388 V389 | M381-F385 HydrophobicContact CE-CD2 4.49Å; M381-F385 HydrophobicContact CE-CE2 3.84Å; M381-F385 WeakPolarHBondContact O-CB 3.22Å; M381-F385 WeakPolarHBondContact O-CD2 2.96Å; M381-F385 PolarHBondContact O-N 3.27Å; R382-F385 PolarHBondContact O-N 2.79Å; F385-Y388 PolarHBondContact O-N 3.37Å; F385-V389 WeakPolarHBondContact O-CB 3.26Å; F385-V389 VanDerWaalsContact O-CG2 3.28Å; F385-V389 WeakPolarHBondContact O-CG2 2.92Å; F385-V389 PolarHBondContact O-N 2.8Å |
| 386 | T | 84.4 | Confident | 76.7 | Confident | 80 Ų | 80 | 110.6 Ų | 110.6 | 49% | 0.491 | 56% | 0.557 | S | S | . | * | H | α-helix | trans | -63.7 | -44.9 | 178 | -50 | 0 | 0 | 0 | 0 | 110.4 | R382 T383 L384 Y388 V389 V390 | R382-T386 WeakPolarHBondContact O-CB 3.46Å; R382-T386 PolarHBondContact O-N 2.8Å; R382-T386 PolarHBondContact O-OG1 2.77Å; T383-T386 PolarHBondContact O-N 3.36Å; L384-T386 VanDerWaalsContact C-N 3.33Å; L384-T386 PolarHBondContact O-N 2.93Å; T386-Y388 PolarHBondContact O-N 3.41Å; T386-V389 PolarHBondContact O-N 3.38Å; T386-V390 WeakPolarHBondContact O-CB 3.46Å; T386-V390 WeakPolarHBondContact O-CG2 3.23Å; T386-V390 PolarHBondContact O-N 3.38Å |
| 387 | Y | 85.3 | Confident | 77.6 | Confident | 160 Ų | 160 | 110.8 Ų | 110.8 | 63% | 0.627 | 56% | 0.557 | S | S | * | * | H | α-helix | trans | -63.1 | -39.8 | 174.7 | -97.2 | -80.8 | 0 | 0 | 0 | 112.8 | T383 L384 V390 M391 | T383-Y387 HydrophobicContact CG2-CD2 4.19Å; T383-Y387 HydrophobicContact CG2-CE2 4.32Å; T383-Y387 WeakPolarHBondContact O-CD2 3.46Å; T383-Y387 PolarHBondContact O-N 3.05Å; L384-Y387 PolarHBondContact O-N 2.94Å; Y387-V390 PolarHBondContact O-N 3Å; Y387-M391 WeakPolarHBondContact O-CB 3.15Å; Y387-M391 VanDerWaalsContact O-CG 3.23Å; Y387-M391 WeakPolarHBondContact O-CG 3.32Å; Y387-M391 PolarHBondContact O-N 3.16Å |
| 388 | Y | 85.8 | Confident | 78.5 | Confident | 161 Ų | 161 | 112.6 Ų | 112.6 | 63% | 0.631 | 57% | 0.569 | S | S | * | * | H | α-helix | trans | -65.8 | -44.3 | 178.7 | -154.8 | -88.3 | 0 | 0 | 0 | 111.5 | L384 F385 T386 M391 T392 | L384-Y388 WeakPolarHBondContact O-CB 3.37Å; L384-Y388 PolarHBondContact O-N 3.36Å; F385-Y388 PolarHBondContact O-N 3.37Å; T386-Y388 PolarHBondContact O-N 3.41Å; Y388-M391 PolarHBondContact O-N 2.94Å; Y388-T392 HydrophobicContact CD1-CG2 4.02Å; Y388-T392 HydrophobicContact CE1-CG2 3.91Å; Y388-T392 WeakPolarHBondContact O-CG2 3.32Å; Y388-T392 PolarHBondContact O-N 3.48Å; Y388-T392 PolarHBondContact O-OG1 3.45Å |
| 389 | V | 86.2 | Confident | 79.2 | Confident | 83 Ų | 83 | 114 Ų | 114 | 50% | 0.503 | 57% | 0.57 | S | S | . | * | H | α-helix | trans | -62.3 | -46 | 175.7 | 171.3 | 0 | 0 | 0 | 0 | 110.9 | F385 T386 M391 T392 V393 | F385-V389 WeakPolarHBondContact O-CB 3.26Å; F385-V389 VanDerWaalsContact O-CG2 3.28Å; F385-V389 WeakPolarHBondContact O-CG2 2.92Å; F385-V389 PolarHBondContact O-N 2.8Å; T386-V389 PolarHBondContact O-N 3.38Å; V389-M391 VanDerWaalsContact C-N 3.32Å; V389-M391 PolarHBondContact O-N 2.99Å; V389-T392 VanDerWaalsContact CA-OG1 3.29Å; V389-T392 WeakPolarHBondContact CA-OG1 3.42Å; V389-T392 PolarHBondContact O-N 3.29Å; V389-T392 PolarHBondContact O-OG1 3.32Å; V389-V393 HydrophobicContact CG1-CG2 4.38Å; V389-V393 WeakPolarHBondContact O-CB 3.23Å; V389-V393 VanDerWaalsContact O-CG2 3.27Å; V389-V393 WeakPolarHBondContact O-CG2 3.5Å; V389-V393 PolarHBondContact O-N 3.23Å |
| 390 | V | 85.3 | Confident | 80 | Confident | 75 Ų | 75 | 113.3 Ų | 113.3 | 46% | 0.455 | 57% | 0.569 | S | S | . | * | H | α-helix | trans | -59.3 | -45.2 | 175.8 | 169.8 | 0 | 0 | 0 | 0 | 110.5 | T386 Y387 T392 V393 V394 | T386-V390 WeakPolarHBondContact O-CB 3.46Å; T386-V390 WeakPolarHBondContact O-CG2 3.23Å; T386-V390 PolarHBondContact O-N 3.38Å; Y387-V390 PolarHBondContact O-N 3Å; V390-T392 PolarHBondContact O-N 3.33Å; V390-V393 PolarHBondContact O-N 2.74Å; V390-V394 HydrophobicContact CG1-CG2 4.2Å; V390-V394 WeakPolarHBondContact O-CB 3.19Å; V390-V394 WeakPolarHBondContact O-CG2 3.45Å; V390-V394 PolarHBondContact O-N 2.65Å |
| 391 | M | 80.2 | Confident | 80.3 | Confident | 105 Ų | 105 | 116.3 Ų | 116.3 | 52% | 0.517 | 58% | 0.575 | S | S | . | * | H | α-helix | trans | -62.5 | -40.6 | 177.2 | -75.1 | -67.7 | -167.5 | 0 | 0 | 112.4 | Y387 Y388 V389 V393 V394 F395 | Y387-M391 WeakPolarHBondContact O-CB 3.15Å; Y387-M391 VanDerWaalsContact O-CG 3.23Å; Y387-M391 WeakPolarHBondContact O-CG 3.32Å; Y387-M391 PolarHBondContact O-N 3.16Å; Y388-M391 PolarHBondContact O-N 2.94Å; V389-M391 VanDerWaalsContact C-N 3.32Å; V389-M391 PolarHBondContact O-N 2.99Å; M391-V393 VanDerWaalsContact C-N 3.3Å; M391-V393 PolarHBondContact O-N 3.3Å; M391-V394 PolarHBondContact O-N 3.25Å; M391-F395 WeakPolarHBondContact O-CB 3.2Å; M391-F395 PolarHBondContact O-N 3.13Å; M391-F395 HydrophobicContact SD-CD2 4.2Å; M391-F395 HydrophobicContact SD-CE2 4.02Å |
| 392 | T | 78.1 | Confident | 80.7 | Confident | 79 Ų | 79 | 119.4 Ų | 119.4 | 49% | 0.485 | 59% | 0.591 | S | S | . | * | H | α-helix | trans | -75.8 | -11.8 | 177.4 | 50.1 | 0 | 0 | 0 | 0 | 115.2 | Y388 V389 V390 F395 | Y388-T392 HydrophobicContact CD1-CG2 4.02Å; Y388-T392 HydrophobicContact CE1-CG2 3.91Å; Y388-T392 WeakPolarHBondContact O-CG2 3.32Å; Y388-T392 PolarHBondContact O-N 3.48Å; Y388-T392 PolarHBondContact O-OG1 3.45Å; V389-T392 VanDerWaalsContact CA-OG1 3.29Å; V389-T392 WeakPolarHBondContact CA-OG1 3.42Å; V389-T392 PolarHBondContact O-N 3.29Å; V389-T392 PolarHBondContact O-OG1 3.32Å; V390-T392 PolarHBondContact O-N 3.33Å; T392-F395 VanDerWaalsContact C-OXT 3.28Å |
| 393 | V | 80.3 | Confident | 80.9 | Confident | 117 Ų | 117 | 114.8 Ų | 114.8 | 71% | 0.709 | 58% | 0.584 | S | S | * | * | H | α-helix | trans | -96.3 | -29.4 | 174.6 | 170.7 | 0 | 0 | 0 | 0 | 110.5 | V389 V390 M391 | V389-V393 HydrophobicContact CG1-CG2 4.38Å; V389-V393 WeakPolarHBondContact O-CB 3.23Å; V389-V393 VanDerWaalsContact O-CG2 3.27Å; V389-V393 WeakPolarHBondContact O-CG2 3.5Å; V389-V393 PolarHBondContact O-N 3.23Å; V390-V393 PolarHBondContact O-N 2.74Å; M391-V393 VanDerWaalsContact C-N 3.3Å; M391-V393 PolarHBondContact O-N 3.3Å |
| 394 | V | 79.3 | Confident | 80.9 | Confident | 107 Ų | 107 | 118.4 Ų | 118.4 | 65% | 0.648 | 60% | 0.596 | S | S | * | * | H | α-helix | trans | -84 | -32.4 | 178.7 | 172.7 | 0 | 0 | 0 | 0 | 112.2 | V390 M391 | V390-V394 HydrophobicContact CG1-CG2 4.2Å; V390-V394 WeakPolarHBondContact O-CB 3.19Å; V390-V394 WeakPolarHBondContact O-CG2 3.45Å; V390-V394 PolarHBondContact O-N 2.65Å; M391-V394 PolarHBondContact O-N 3.25Å |
| 395 | F | 59.2 | Low | 80.6 | Confident | 209 Ų | 209 | 118.8 Ų | 118.8 | 92% | 0.917 | 60% | 0.596 | S | S | * | * | trans | -110.5 | 0 | 171.7 | -70.4 | -85.5 | 0 | 0 | 0 | 110.2 | M391 T392 | M391-F395 WeakPolarHBondContact O-CB 3.2Å; M391-F395 PolarHBondContact O-N 3.13Å; M391-F395 HydrophobicContact SD-CD2 4.2Å; M391-F395 HydrophobicContact SD-CE2 4.02Å; T392-F395 VanDerWaalsContact C-OXT 3.28Å |
Retrieved 395 of 395 residues in 463.1 ms
(Link to these results)